A0A096M102_POEFO Loading...

Myosin heavy chain 7-like

AlphaFold DB , UniProt , Accession A0A096M102, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 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
1M62.2Low87Confident70 Ų7054.1 Ų54.135%0.34536%0.362SS..  01190-149.7179.2-167.800107.6E5 R17 E149M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.49Å; M1-E5 HydrophobicContact CE-CB 3.83Å; M1-E5 HydrophobicContact CG-CB 3.61Å; M1-E5 HydrophobicContact CG-CG 4.2Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; M1-E5 HydrophobicContact SD-CB 4.45Å; M1-R17 PolarHBondContact SD-NH1 3.39Å; M1-E149 WeakPolarHBondContact CE-O 3.39Å
2G78.4Confident87.8Confident14 Ų1449.6 Ų49.614%0.14433%0.332CS..  trans-97.4178-172.300000114.2A4 E5 M6 E20G2-A4 PolarHBondContact O-N 3.46Å; G2-E5 PolarHBondContact N-OE2 2.87Å; G2-E5 PolarHBondContact O-N 3.31Å; G2-M6 PolarHBondContact O-N 3.13Å; G2-E20 WeakPolarHBondContact CA-OE1 3.25Å
3D82.9Confident88.5Confident76 Ų7647.2 Ų47.241%0.40632%0.318SS..Hα-helixtrans-58.5-33.7-175.6-74.2-15.6000112.4E5 M6 S7 S19 E20D3-E5 VanDerWaalsContact C-N 3.35Å; D3-E5 PolarHBondContact O-N 2.87Å; D3-M6 PolarHBondContact O-N 2.89Å; D3-S7 PolarHBondContact O-N 3.12Å; D3-S19 VanDerWaalsContact OD1-CA 3.31Å; D3-S19 WeakPolarHBondContact OD1-CA 3.33Å; D3-E20 PolarHBondContact OD1-N 2.93Å
4A84.6Confident89.1Confident82 Ų8248.6 Ų48.668%0.67833%0.327SS*.Hα-helixtrans-61.6-39.2176.400000113G2 M6 S7G2-A4 PolarHBondContact O-N 3.46Å; A4-M6 VanDerWaalsContact C-N 3.35Å; A4-S7 WeakPolarHBondContact O-CB 3.45Å; A4-S7 PolarHBondContact O-N 2.83Å; A4-S7 PolarHBondContact O-OG 3.24Å
5E85.2Confident89.7Confident103 Ų10349.6 Ų49.648%0.48132%0.321SS..Hα-helixtrans-76.2-27.2-179.9-69.3173.313100111.9M1 G2 D3 S7 S8M1-E5 VanDerWaalsContact C-OE2 3.3Å; M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.49Å; M1-E5 HydrophobicContact CE-CB 3.83Å; M1-E5 HydrophobicContact CG-CB 3.61Å; M1-E5 HydrophobicContact CG-CG 4.2Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; M1-E5 HydrophobicContact SD-CB 4.45Å; G2-E5 PolarHBondContact N-OE2 2.87Å; G2-E5 PolarHBondContact O-N 3.31Å; D3-E5 VanDerWaalsContact C-N 3.35Å; D3-E5 PolarHBondContact O-N 2.87Å; E5-S7 PolarHBondContact O-N 2.85Å; E5-S8 PolarHBondContact O-OG 2.87Å
6M93.4Very high90.2Very high10 Ų1046.7 Ų46.75%0.04930%0.302CS..Hα-helixtrans-70.7-18.2175.1-71.3-58.5-56.600113.3G2 D3 A4 S8 Y9 A13 L16 R17 P151G2-M6 PolarHBondContact O-N 3.13Å; D3-M6 PolarHBondContact O-N 2.89Å; A4-M6 VanDerWaalsContact C-N 3.35Å; M6-S8 PolarHBondContact O-N 2.99Å; M6-Y9 HydrophobicContact CE-CD2 3.66Å; M6-Y9 HydrophobicContact CE-CE2 4.15Å; M6-Y9 HydrophobicContact CE-CG 4.44Å; M6-Y9 WeakPolarHBondContact O-CD2 3.49Å; M6-Y9 PolarHBondContact O-N 2.94Å; M6-Y9 VanDerWaalsContact O-N 3.07Å; M6-Y9 HydrophobicContact SD-CD2 3.9Å; M6-Y9 HydrophobicContact SD-CE2 3.87Å; M6-A13 HydrophobicContact CB-CB 4.33Å; M6-A13 HydrophobicContact CE-CB 3.91Å; M6-L16 HydrophobicContact CE-CB 4.14Å; M6-R17 HydrophobicContact CE-CB 3.71Å; M6-R17 HydrophobicContact SD-CB 3.9Å; M6-P151 HydrophobicContact CE-CG 3.97Å; M6-P151 HydrophobicContact SD-CG 3.75Å
7S91.1Very high90.5Very high88 Ų8845 Ų4562%0.61529%0.289SS*.G310 helixtrans-56.7-31.6177.568.20000113.5D3 A4 E5 Y9 G10D3-S7 PolarHBondContact O-N 3.12Å; A4-S7 WeakPolarHBondContact O-CB 3.45Å; A4-S7 PolarHBondContact O-N 2.83Å; A4-S7 PolarHBondContact O-OG 3.24Å; E5-S7 PolarHBondContact O-N 2.85Å; S7-Y9 PolarHBondContact O-N 2.86Å; S7-Y9 VanDerWaalsContact O-N 3.12Å; S7-G10 PolarHBondContact O-N 2.98Å
8S92.9Very high90.8Very high51 Ų5144.7 Ų44.736%0.35728%0.282SS..G310 helixtrans-61.6-19178.261.70000114.2E5 M6E5-S8 PolarHBondContact O-OG 2.87Å; M6-S8 PolarHBondContact O-N 2.99Å
9Y94.8Very high91Very high0 Ų044.3 Ų44.30%028%0.281CS..G310 helixtrans-93-1.5177.7-55.4-76.1000113.4M6 S7 A11 A12 L16 V138 A141 Y142 K145 A150 P151M6-Y9 HydrophobicContact CE-CD2 3.66Å; M6-Y9 HydrophobicContact CE-CE2 4.15Å; M6-Y9 HydrophobicContact CE-CG 4.44Å; M6-Y9 WeakPolarHBondContact O-CD2 3.49Å; M6-Y9 PolarHBondContact O-N 2.94Å; M6-Y9 VanDerWaalsContact O-N 3.07Å; M6-Y9 HydrophobicContact SD-CD2 3.9Å; M6-Y9 HydrophobicContact SD-CE2 3.87Å; S7-Y9 PolarHBondContact O-N 2.86Å; S7-Y9 VanDerWaalsContact O-N 3.12Å; Y9-A11 PolarHBondContact O-N 2.85Å; Y9-A12 VanDerWaalsContact O-CB 3.26Å; Y9-A12 WeakPolarHBondContact O-CB 3.35Å; Y9-A12 PolarHBondContact O-N 2.93Å; Y9-L16 HydrophobicContact CD1-CD1 3.65Å; Y9-L16 HydrophobicContact CE1-CD1 4.3Å; Y9-L16 HydrophobicContact CG-CD1 3.8Å; Y9-V138 HydrophobicContact CD1-CG1 4.28Å; Y9-A141 HydrophobicContact CD1-CB 3.56Å; Y9-A141 HydrophobicContact CE1-CB 3.48Å; Y9-A141 VanDerWaalsContact CE1-CB 3.48Å; Y9-A141 HydrophobicContact CG-CB 4.37Å; Y9-Y142 HydrophobicContact CD1-CD2 4.33Å; Y9-Y142 AromaticContact CD1-CE2 3.92Å; Y9-Y142 HydrophobicContact CD1-CE2 3.92Å; Y9-Y142 AromaticContact CE1-CD2 3.69Å; Y9-Y142 HydrophobicContact CE1-CD2 3.69Å; Y9-Y142 AromaticContact CE1-CE2 3.36Å; Y9-Y142 HydrophobicContact CE1-CE2 3.36Å; Y9-Y142 AromaticContact CE1-CZ 3.96Å; Y9-K145 PolarHBondContact OH-NZ 3.12Å; Y9-A150 WeakPolarHBondContact OH-CB 3.41Å; Y9-P151 HydrophobicContact CE2-CG 4.4Å
10G94.9Very high91Very high36 Ų3646.7 Ų46.737%0.37129%0.288SS..G310 helixtrans52.4-128.8175.400000113.3S7 A12 A13S7-G10 PolarHBondContact O-N 2.98Å; G10-A12 PolarHBondContact O-N 2.84Å; G10-A12 VanDerWaalsContact O-N 3.14Å; G10-A13 PolarHBondContact O-N 3.26Å
11A96.1Very high91Very high65 Ų6551.2 Ų51.254%0.53730%0.304SS..G310 helixtrans-65.2-15.218000000113.9Y9 Y15 P132Y9-A11 PolarHBondContact O-N 2.85Å; A11-Y15 WeakPolarHBondContact O-CD2 3.22Å; A11-Y15 WeakPolarHBondContact O-CE2 3.31Å; A11-P132 HydrophobicContact CB-CB 4.35Å; A11-P132 HydrophobicContact CB-CG 4.36Å; A11-P132 WeakPolarHBondContact O-CG 2.95Å
12A97.3Very high92.5Very high0 Ų052.1 Ų52.10%031%0.307CS..G310 helixtrans-81.1-19.3177.900000113.5Y9 G10 Y15 L16 V133 V138Y9-A12 VanDerWaalsContact O-CB 3.26Å; Y9-A12 WeakPolarHBondContact O-CB 3.35Å; Y9-A12 PolarHBondContact O-N 2.93Å; G10-A12 PolarHBondContact O-N 2.84Å; G10-A12 VanDerWaalsContact O-N 3.14Å; A12-Y15 WeakPolarHBondContact O-CB 3.42Å; A12-Y15 PolarHBondContact O-N 2.83Å; A12-L16 HydrophobicContact CB-CD1 4.18Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.81Å; A12-V133 HydrophobicContact CB-CG1 4.17Å; A12-V138 HydrophobicContact CB-CG2 3.47Å; A12-V138 VanDerWaalsContact CB-CG2 3.47Å
13A97Very high93.1Very high18 Ų1857 Ų5715%0.14932%0.321CS..Hα-helixtrans-50.9-48.4-172.100000114M6 G10 Y15 L16 R17M6-A13 HydrophobicContact CB-CB 4.33Å; M6-A13 HydrophobicContact CE-CB 3.91Å; G10-A13 PolarHBondContact O-N 3.26Å; A13-Y15 PolarHBondContact O-N 2.87Å; A13-Y15 VanDerWaalsContact O-N 3.1Å; A13-L16 PolarHBondContact O-N 2.83Å; A13-R17 PolarHBondContact O-N 2.85Å
14P96.6Very high93.5Very high68 Ų6859.4 Ų59.444%0.44233%0.332SS..Hα-helixtrans-65.5-17.8-177.9-20.734.2000114.9K18P14-K18 PolarHBondContact O-NZ 2.97Å
15Y97.8Very high93.9Very high63 Ų6360.8 Ų60.825%0.24732%0.324CS..Hα-helixtrans-93.6-10.2178.5-55.6-79.5000112.7A11 A12 A13 W112 M113 L131 P132 V133A11-Y15 WeakPolarHBondContact O-CD2 3.22Å; A11-Y15 WeakPolarHBondContact O-CE2 3.31Å; A12-Y15 WeakPolarHBondContact O-CB 3.42Å; A12-Y15 PolarHBondContact O-N 2.83Å; A13-Y15 PolarHBondContact O-N 2.87Å; A13-Y15 VanDerWaalsContact O-N 3.1Å; Y15-W112 HydrophobicContact CD1-CB 3.67Å; Y15-W112 HydrophobicContact CE1-CB 4.02Å; Y15-W112 HydrophobicContact CE1-CG 4.44Å; Y15-M113 WeakPolarHBondContact O-CA 3.46Å; Y15-L131 HydrophobicContact CD1-CD2 3.72Å; Y15-L131 HydrophobicContact CE1-CD2 3.68Å; Y15-P132 HydrophobicContact CD2-CG 3.8Å; Y15-P132 HydrophobicContact CE2-CG 3.59Å; Y15-V133 HydrophobicContact CG-CG1 4.4Å
16L97.3Very high94.1Very high3 Ų357 Ų572%0.01631%0.311CS..Hα-helixtrans-105.6-44.6179.2-63.5177.9000111.2M6 Y9 A12 A13 V133 V138 Y142 P151M6-L16 HydrophobicContact CE-CB 4.14Å; Y9-L16 HydrophobicContact CD1-CD1 3.65Å; Y9-L16 HydrophobicContact CE1-CD1 4.3Å; Y9-L16 HydrophobicContact CG-CD1 3.8Å; A12-L16 HydrophobicContact CB-CD1 4.18Å; A12-L16 WeakPolarHBondContact O-CG 3.46Å; A12-L16 PolarHBondContact O-N 2.81Å; A13-L16 PolarHBondContact O-N 2.83Å; L16-V133 HydrophobicContact CD2-CB 4.34Å; L16-V133 HydrophobicContact CD2-CG1 3.99Å; L16-V133 HydrophobicContact CG-CG1 4.32Å; L16-V138 HydrophobicContact CD1-CG1 4.42Å; L16-Y142 HydrophobicContact CD1-CE2 4.17Å; L16-P151 HydrophobicContact CB-CB 3.99Å; L16-P151 HydrophobicContact CB-CG 4.05Å
17R96.8Very high93.9Very high18 Ų1859 Ų597%0.06833%0.326CS..  trans-152.8139.7178.4-174.2-178.8-74.8144.4-7.5110.3M1 M6 A13 E88 P151M1-R17 PolarHBondContact SD-NH1 3.39Å; M6-R17 HydrophobicContact CE-CB 3.71Å; M6-R17 HydrophobicContact SD-CB 3.9Å; A13-R17 PolarHBondContact O-N 2.85Å; R17-E88 IonicContact CZ-OE1 3.64Å; R17-E88 IonicContact CZ-OE2 2.89Å; R17-E88 IonicContact NE-OE1 3.77Å; R17-E88 PolarHBondContact NE-OE1 3.18Å; R17-E88 IonicContact NE-OE2 2.8Å; R17-E88 IonicContact NH2-OE1 2.72Å; R17-E88 PolarHBondContact NH2-OE1 3.48Å; R17-E88 IonicContact NH2-OE2 3.49Å; R17-E88 PolarHBondContact NH2-OE2 3.25Å; R17-P151 HydrophobicContact CB-CB 4.38Å; R17-P151 HydrophobicContact CB-CG 4.12Å
18K95.2Very high93.9Very high39 Ų3959.7 Ų59.717%0.1733%0.326CS..  trans-71.4157173.4-63.5-52.9-178.3-164.30112.3P14 E22 R23 A111 M113P14-K18 PolarHBondContact O-NZ 2.97Å; K18-E22 HydrophobicContact CB-CB 4.09Å; K18-R23 HydrophobicContact CB-CG 4.07Å; K18-R23 VanDerWaalsContact O-CD 3.25Å; K18-R23 WeakPolarHBondContact O-CD 3.36Å; K18-A111 WeakPolarHBondContact CE-O 3.47Å; K18-A111 PolarHBondContact NZ-O 3.27Å; K18-M113 HydrophobicContact CG-CE 4.02Å; K18-M113 HydrophobicContact CG-SD 4.22Å
19S93.8Very high93.8Very high37 Ų3761.4 Ų61.426%0.25933%0.325SS..  trans-57.6154.1177.361.40000111.1D3 K21 E22 R23D3-S19 VanDerWaalsContact OD1-CA 3.31Å; D3-S19 WeakPolarHBondContact OD1-CA 3.33Å; S19-K21 PolarHBondContact O-N 2.85Å; S19-E22 WeakPolarHBondContact CB-OE2 3.46Å; S19-E22 PolarHBondContact N-OE2 3.26Å; S19-E22 VanDerWaalsContact N-OE2 3.09Å; S19-E22 PolarHBondContact O-N 2.97Å; S19-E22 WeakPolarHBondContact OG-CB 2.91Å; S19-E22 VanDerWaalsContact OG-CG 3.26Å; S19-E22 WeakPolarHBondContact OG-CG 3.44Å; S19-E22 PolarHBondContact OG-N 2.77Å; S19-E22 PolarHBondContact OG-OE2 2.95Å; S19-R23 WeakPolarHBondContact O-CG 3.3Å; S19-R23 PolarHBondContact O-N 3.03Å
20E91.4Very high93.7Very high92 Ų9267 Ų6743%0.4336%0.362SS..Hα-helixtrans-56.9-36.8175.3-74.1-171.2133.300111.8G2 D3 R23 M24G2-E20 WeakPolarHBondContact CA-OE1 3.25Å; D3-E20 PolarHBondContact OD1-N 2.93Å; E20-R23 PolarHBondContact O-N 2.86Å; E20-M24 VanDerWaalsContact O-CB 3.31Å; E20-M24 WeakPolarHBondContact O-CB 3.42Å; E20-M24 PolarHBondContact O-N 3.23Å
21K92Very high93.7Very high142 Ų14267.7 Ų67.762%0.61735%0.354SS*.Hα-helixtrans-58.8-54.8175.1-177.5178174.3-178.20112S19 R23 M24 E25S19-K21 PolarHBondContact O-N 2.85Å; K21-R23 VanDerWaalsContact C-N 3.27Å; K21-R23 PolarHBondContact O-N 3.28Å; K21-M24 PolarHBondContact O-N 3.38Å; K21-E25 WeakPolarHBondContact CE-OE1 3.39Å; K21-E25 WeakPolarHBondContact O-CG 3.39Å; K21-E25 PolarHBondContact O-N 3.17Å
22E92.4Very high93.6Very high90 Ų9067.8 Ų67.842%0.42135%0.346SS..Hα-helixtrans-60.2-38.8179.3-73.6168.210100111.8K18 S19 A26K18-E22 HydrophobicContact CB-CB 4.09Å; S19-E22 WeakPolarHBondContact CB-OE2 3.46Å; S19-E22 PolarHBondContact N-OE2 3.26Å; S19-E22 VanDerWaalsContact N-OE2 3.09Å; S19-E22 PolarHBondContact O-N 2.97Å; S19-E22 WeakPolarHBondContact OG-CB 2.91Å; S19-E22 VanDerWaalsContact OG-CG 3.26Å; S19-E22 WeakPolarHBondContact OG-CG 3.44Å; S19-E22 PolarHBondContact OG-N 2.77Å; S19-E22 PolarHBondContact OG-OE2 2.95Å; E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.49Å; E22-A26 PolarHBondContact O-N 3.25Å
23R92.4Very high93.4Very high116 Ų11671.9 Ų71.944%0.43837%0.367SS..Hα-helixtrans-67.6-39.8178.4-69.9170.160.4-149.8-4.8111.9K18 S19 E20 K21 A26 S27K18-R23 HydrophobicContact CB-CG 4.07Å; K18-R23 VanDerWaalsContact O-CD 3.25Å; K18-R23 WeakPolarHBondContact O-CD 3.36Å; S19-R23 WeakPolarHBondContact O-CG 3.3Å; S19-R23 PolarHBondContact O-N 3.03Å; E20-R23 PolarHBondContact O-N 2.86Å; K21-R23 VanDerWaalsContact C-N 3.27Å; K21-R23 PolarHBondContact O-N 3.28Å; R23-A26 PolarHBondContact O-N 2.79Å; R23-S27 WeakPolarHBondContact O-CB 3.2Å; R23-S27 PolarHBondContact O-N 3.06Å; R23-S27 PolarHBondContact O-OG 2.66Å
24M90.9Very high93.1Very high127 Ų12778.2 Ų78.263%0.62639%0.391SS*.Hα-helixtrans-67.1-46.1177.9-174.2177.3-72.200110.9E20 K21 A26 S27 T28E20-M24 VanDerWaalsContact O-CB 3.31Å; E20-M24 WeakPolarHBondContact O-CB 3.42Å; E20-M24 PolarHBondContact O-N 3.23Å; K21-M24 PolarHBondContact O-N 3.38Å; M24-A26 VanDerWaalsContact C-N 3.32Å; M24-A26 PolarHBondContact O-N 2.98Å; M24-S27 WeakPolarHBondContact CA-OG 3.38Å; M24-S27 PolarHBondContact O-N 2.72Å; M24-S27 PolarHBondContact O-OG 3.48Å; M24-T28 WeakPolarHBondContact O-CG2 3.35Å; M24-T28 PolarHBondContact O-N 3.46Å; M24-T28 VanDerWaalsContact O-N 3.1Å; M24-T28 PolarHBondContact O-OG1 2.88Å
25E91.6Very high93.1Very high110 Ų11080 Ų8051%0.51439%0.392SS..Hα-helixtrans-57.8-45.5174.9-72.6173.4-176.500111K21 S27 T28 R29K21-E25 WeakPolarHBondContact CE-OE1 3.39Å; K21-E25 WeakPolarHBondContact O-CG 3.39Å; K21-E25 PolarHBondContact O-N 3.17Å; E25-S27 PolarHBondContact O-N 3.31Å; E25-T28 PolarHBondContact O-N 3.05Å; E25-T28 PolarHBondContact O-OG1 3.27Å; E25-R29 PolarHBondContact O-N 2.93Å
26A90.6Very high93Very high24 Ų2478.8 Ų78.820%0.19839%0.388CS..Hα-helixtrans-64.6-40.7177.100000113.3E22 R23 M24 T28 R29 P82 D85E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.49Å; E22-A26 PolarHBondContact O-N 3.25Å; R23-A26 PolarHBondContact O-N 2.79Å; M24-A26 VanDerWaalsContact C-N 3.32Å; M24-A26 PolarHBondContact O-N 2.98Å; A26-T28 VanDerWaalsContact C-N 3.26Å; A26-T28 PolarHBondContact O-N 3.01Å; A26-R29 WeakPolarHBondContact O-CG 3.33Å; A26-P82 WeakPolarHBondContact O-CB 3.4Å; A26-D85 VanDerWaalsContact CB-OD2 3.27Å; A26-D85 WeakPolarHBondContact CB-OD2 3.18Å
27S88.8Confident93Very high53 Ų5378.8 Ų78.837%0.37139%0.389SS..Hα-helixtrans-71.3-19-179.370.40000114.4R23 M24 E25R23-S27 WeakPolarHBondContact O-CB 3.2Å; R23-S27 PolarHBondContact O-N 3.06Å; R23-S27 PolarHBondContact O-OG 2.66Å; M24-S27 WeakPolarHBondContact CA-OG 3.38Å; M24-S27 PolarHBondContact O-N 2.72Å; M24-S27 PolarHBondContact O-OG 3.48Å; E25-S27 PolarHBondContact O-N 3.31Å
28T90.8Very high93Very high102 Ų10278.3 Ų78.363%0.62639%0.387SS*.THydrogen-bonded Turntrans-101.32.7-176.652.90000113.1M24 E25 A26M24-T28 WeakPolarHBondContact O-CG2 3.35Å; M24-T28 PolarHBondContact O-N 3.46Å; M24-T28 VanDerWaalsContact O-N 3.1Å; M24-T28 PolarHBondContact O-OG1 2.88Å; E25-T28 PolarHBondContact O-N 3.05Å; E25-T28 PolarHBondContact O-OG1 3.27Å; A26-T28 VanDerWaalsContact C-N 3.26Å; A26-T28 PolarHBondContact O-N 3.01Å
29R91.4Very high93.1Very high86 Ų8676.5 Ų76.533%0.32538%0.379SS..SBendtrans-57.3143.7175.376-177.7-179.793.3-4.1110.7E25 A26 F31 E36 P82E25-R29 PolarHBondContact O-N 2.93Å; A26-R29 WeakPolarHBondContact O-CG 3.33Å; R29-F31 PolarHBondContact O-N 2.84Å; R29-E36 IonicContact CZ-OE2 3.47Å; R29-E36 IonicContact NH1-OE1 3.84Å; R29-E36 IonicContact NH1-OE2 2.6Å; R29-E36 PolarHBondContact NH1-OE2 2.97Å; R29-E36 IonicContact NH2-OE2 3.68Å; R29-P82 HydrophobicContact CG-CB 3.63Å; R29-P82 HydrophobicContact CG-CG 3.46Å; R29-P82 VanDerWaalsContact CG-CG 3.46Å
30P92.8Very high93.2Very high119 Ų11977.7 Ų77.777%0.77339%0.386SS*.  trans-54.4136.1171.7-23.833.5000110.7
31F94.2Very high93.4Very high50 Ų5075.2 Ų75.222%0.21938%0.376CS..  trans-149.6127.7179.1179.5-97.8000110.3R29 I33 E36 Q79 P81 P82R29-F31 PolarHBondContact O-N 2.84Å; F31-I33 HydrophobicContact CE1-CB 3.79Å; F31-I33 HydrophobicContact CE1-CG1 4.13Å; F31-E36 WeakPolarHBondContact CA-OE1 3.45Å; F31-E36 HydrophobicContact CD2-CB 4.09Å; F31-E36 HydrophobicContact CD2-CG 4.18Å; F31-E36 WeakPolarHBondContact CD2-OE1 3.43Å; F31-E36 WeakPolarHBondContact CD2-OE2 3.48Å; F31-E36 HydrophobicContact CE2-CB 3.57Å; F31-E36 HydrophobicContact CE2-CG 4.16Å; F31-E36 WeakPolarHBondContact CE2-OE2 3.38Å; F31-E36 HydrophobicContact CZ-CB 4.19Å; F31-Q79 HydrophobicContact CE2-CB 3.86Å; F31-Q79 HydrophobicContact CZ-CB 4.05Å; F31-Q79 WeakPolarHBondContact CZ-O 3.44Å; F31-P81 HydrophobicContact CD1-CB 4.29Å; F31-P81 HydrophobicContact CE1-CB 4.18Å; F31-P81 HydrophobicContact CE1-CG 4.12Å; F31-P82 VanDerWaalsContact CB-CD 3.45Å; F31-P82 HydrophobicContact CB-CG 3.47Å; F31-P82 VanDerWaalsContact CB-CG 3.47Å; F31-P82 HydrophobicContact CD2-CG 4.15Å; F31-P82 VanDerWaalsContact CG-CD 3.45Å; F31-P82 HydrophobicContact CG-CG 3.92Å
32D94.4Very high93.4Very high66 Ų6674 Ų7435%0.35339%0.386SS..  trans-115.7108172.9-177-9000109.6K34 K35 E36D32-K34 PolarHBondContact O-N 3.4Å; D32-K34 VanDerWaalsContact O-N 3.11Å; D32-K34 WeakPolarHBondContact OD1-CB 3.45Å; D32-K34 PolarHBondContact OD1-N 2.87Å; D32-K35 HydrophobicContact CB-CB 4.14Å; D32-K35 HydrophobicContact CB-CD 4.45Å; D32-K35 HydrophobicContact CB-CG 4.38Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-K35 WeakPolarHBondContact OD2-CD 3.3Å; D32-K35 WeakPolarHBondContact OD2-CG 3.42Å; D32-E36 PolarHBondContact O-N 2.86Å
33I92.9Very high93.4Very high86 Ų8675.8 Ų75.844%0.44140%0.402SS..THydrogen-bonded Turntrans-59.6-23.2-178.9-161.9168.3000113.3F31 F95F31-I33 HydrophobicContact CE1-CB 3.79Å; F31-I33 HydrophobicContact CE1-CG1 4.13Å; I33-F95 HydrophobicContact CD1-CE2 4.18Å; I33-F95 HydrophobicContact CD1-CZ 4.15Å
34K91.8Very high93.4Very high151 Ų15174.3 Ų74.366%0.65740%0.4SS*.THydrogen-bonded Turntrans-84.5-15.4178.7-64.7-175.7178.2-179.50112.6D32 R54D32-K34 PolarHBondContact O-N 3.4Å; D32-K34 VanDerWaalsContact O-N 3.11Å; D32-K34 WeakPolarHBondContact OD1-CB 3.45Å; D32-K34 PolarHBondContact OD1-N 2.87Å; K34-R54 PolarHBondContact O-NH1 3.1Å; K34-R54 VanDerWaalsContact O-NH1 3.16Å; K34-R54 PolarHBondContact O-NH2 3.21Å
35K94.8Very high93.6Very high107 Ų10775.1 Ų75.147%0.46540%0.402SS..THydrogen-bonded Turntrans-112-42.8-176.9-67.8-174.5179.4-175.10113.3D32 C37 T50 V51D32-K35 HydrophobicContact CB-CB 4.14Å; D32-K35 HydrophobicContact CB-CD 4.45Å; D32-K35 HydrophobicContact CB-CG 4.38Å; D32-K35 PolarHBondContact O-N 3.16Å; D32-K35 WeakPolarHBondContact OD2-CD 3.3Å; D32-K35 WeakPolarHBondContact OD2-CG 3.42Å; K35-C37 PolarHBondContact O-N 3.1Å; K35-T50 HydrophobicContact CB-CG2 4.13Å; K35-T50 CarbonylContact O-C 3.59Å; K35-T50 WeakPolarHBondContact O-CA 3.44Å; K35-V51 PolarHBondContact O-N 3.11Å
36E96.1Very high93.9Very high36 Ų3671.3 Ų71.317%0.16838%0.384CS..EExtended strand (participates in β ladder)trans-79.1115-177.6-74.8-171-134.300111.5R29 F31 D32 Q79R29-E36 IonicContact CZ-OE2 3.47Å; R29-E36 IonicContact NH1-OE1 3.84Å; R29-E36 IonicContact NH1-OE2 2.6Å; R29-E36 PolarHBondContact NH1-OE2 2.97Å; R29-E36 IonicContact NH2-OE2 3.68Å; F31-E36 WeakPolarHBondContact CA-OE1 3.45Å; F31-E36 HydrophobicContact CD2-CB 4.09Å; F31-E36 HydrophobicContact CD2-CG 4.18Å; F31-E36 WeakPolarHBondContact CD2-OE1 3.43Å; F31-E36 WeakPolarHBondContact CD2-OE2 3.48Å; F31-E36 HydrophobicContact CE2-CB 3.57Å; F31-E36 HydrophobicContact CE2-CG 4.16Å; F31-E36 WeakPolarHBondContact CE2-OE2 3.38Å; F31-E36 HydrophobicContact CZ-CB 4.19Å; D32-E36 PolarHBondContact O-N 2.86Å; E36-Q79 HydrophobicContact CB-CB 4.34Å; E36-Q79 HydrophobicContact CB-CG 4.4Å; E36-Q79 PolarHBondContact O-N 3.3Å
37C97.1Very high94.2Very high4 Ų470.2 Ų70.23%0.02738%0.375CS..EExtended strand (participates in β ladder)trans-140173.2-177.160.80000112.3K35 A49 I76 L77 Q79K35-C37 PolarHBondContact O-N 3.1Å; C37-A49 PolarHBondContact N-O 2.77Å; C37-A49 PolarHBondContact O-N 3.14Å; C37-I76 HydrophobicContact CB-CG2 3.52Å; C37-L77 CarbonylContact C-O 3.59Å; C37-L77 WeakPolarHBondContact CA-O 3.27Å; C37-L77 WeakPolarHBondContact CB-O 3.35Å; C37-Q79 PolarHBondContact O-NE2 2.87Å
38F97.9Very high94.6Very high7 Ų769.4 Ų69.43%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-109.1143.6165.1-60.9-72.7000108.9V47 K48 L77 Q79 H97 P99 F103F38-V47 VanDerWaalsContact CA-O 3.3Å; F38-V47 WeakPolarHBondContact CA-O 3.47Å; F38-K48 HydrophobicContact CD1-CG 3.85Å; F38-K48 HydrophobicContact CE1-CD 4.38Å; F38-K48 HydrophobicContact CE1-CG 3.47Å; F38-K48 VanDerWaalsContact CE1-CG 3.47Å; F38-K48 HydrophobicContact CZ-CG 4.48Å; F38-L77 HydrophobicContact CB-CB 4.29Å; F38-L77 PolarHBondContact N-O 3.02Å; F38-L77 PolarHBondContact O-N 3.24Å; F38-Q79 HydrophobicContact CD1-CG 4.4Å; F38-Q79 HydrophobicContact CD2-CG 3.85Å; F38-Q79 HydrophobicContact CE1-CG 4.17Å; F38-Q79 HydrophobicContact CE2-CB 4.21Å; F38-Q79 HydrophobicContact CE2-CG 3.62Å; F38-Q79 HydrophobicContact CG-CG 4.25Å; F38-Q79 HydrophobicContact CZ-CG 3.78Å; F38-H97 AromaticContact CD2-CE1 3.71Å; F38-H97 AromaticContact CE2-CE1 3.93Å; F38-P99 HydrophobicContact CB-CB 3.9Å; F38-P99 HydrophobicContact CB-CG 3.85Å; F38-P99 HydrophobicContact CD1-CB 3.97Å; F38-P99 HydrophobicContact CD2-CB 3.84Å; F38-P99 HydrophobicContact CD2-CG 3.9Å; F38-P99 HydrophobicContact CE1-CB 4.41Å; F38-P99 HydrophobicContact CE2-CB 4.27Å; F38-P99 HydrophobicContact CG-CB 3.65Å; F38-P99 HydrophobicContact CG-CG 3.94Å; F38-F103 AromaticContact CD1-CD2 3.86Å; F38-F103 HydrophobicContact CD1-CD2 3.86Å; F38-F103 AromaticContact CD1-CE2 3.77Å; F38-F103 HydrophobicContact CD1-CE2 3.77Å; F38-F103 HydrophobicContact CD1-CZ 4.36Å; F38-F103 HydrophobicContact CE1-CB 4.08Å; F38-F103 HydrophobicContact CE1-CD1 4.09Å; F38-F103 AromaticContact CE1-CD2 3.26Å; F38-F103 HydrophobicContact CE1-CD2 3.26Å; F38-F103 HydrophobicContact CE1-CE1 4.34Å; F38-F103 AromaticContact CE1-CE2 3.58Å; F38-F103 HydrophobicContact CE1-CE2 3.58Å; F38-F103 AromaticContact CE1-CG 3.53Å; F38-F103 HydrophobicContact CE1-CG 3.53Å; F38-F103 HydrophobicContact CE1-CZ 4.11Å; F38-F103 HydrophobicContact CZ-CB 4.02Å; F38-F103 AromaticContact CZ-CD2 3.93Å; F38-F103 HydrophobicContact CZ-CD2 3.93Å; F38-F103 AromaticContact CZ-CG 3.99Å; F38-F103 HydrophobicContact CZ-CG 3.99Å
39V97.2Very high94.9Very high1 Ų164.7 Ų64.71%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-131.6152174.1-62.50000110.5F46 V47 A49 V61 T63 V71 I76V39-F46 WeakPolarHBondContact O-CA 3.27Å; V39-V47 HydrophobicContact CG2-CG2 3.69Å; V39-V47 PolarHBondContact N-O 2.69Å; V39-V47 PolarHBondContact O-N 2.74Å; V39-A49 HydrophobicContact CG1-CB 4.27Å; V39-A49 HydrophobicContact CG2-CB 3.91Å; V39-V61 HydrophobicContact CG1-CG1 4.35Å; V39-V61 HydrophobicContact CG1-CG2 3.92Å; V39-V61 HydrophobicContact CG2-CG2 4.17Å; V39-T63 HydrophobicContact CG2-CG2 4.29Å; V39-V71 HydrophobicContact CG1-CG2 3.98Å; V39-I76 HydrophobicContact CG1-CG1 4.18Å
40P96.1Very high95.1Very high63 Ų6363.5 Ų63.541%0.40934%0.339SS..EExtended strand (participates in β ladder)trans-61.6144.5173.2-21.633.1000111.9E45 D75P40-E45 CarbonylContact C-O 3.38Å; P40-E45 WeakPolarHBondContact CA-O 3.36Å; P40-D75 HydrophobicContact CG-CB 4.25Å
41D94.6Very high95.3Very high40 Ų4058.3 Ų58.321%0.21431%0.305CS..EExtended strand (participates in β ladder)trans-133.3139.8173.4-175.3-92.4000110.5V43 E44 E45 V47D41-V43 PolarHBondContact O-N 3.05Å; D41-V43 WeakPolarHBondContact OD1-CA 3.45Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 3.19Å; D41-E44 HydrophobicContact CB-CB 4.47Å; D41-E44 PolarHBondContact OD1-N 2.89Å; D41-E45 PolarHBondContact N-O 3.23Å; D41-E45 CarbonylContact O-C 3.54Å; D41-E45 VanDerWaalsContact O-CA 3.22Å; D41-E45 WeakPolarHBondContact O-CA 3.41Å; D41-E45 PolarHBondContact O-N 2.8Å; D41-E45 VanDerWaalsContact O-N 3.12Å; D41-V47 HydrophobicContact CB-CG1 3.8Å; D41-V47 HydrophobicContact CB-CG2 4.16Å
42S92Very high95.4Very high117 Ų11760.7 Ų60.782%0.81832%0.319SS*.THydrogen-bonded Turntrans-70.5-14.4-17655.20000114.4
43V92.4Very high95.5Very high127 Ų12759.5 Ų59.577%0.7732%0.316SS*.THydrogen-bonded Turntrans-115.6-45.4-176.8-176.90000111.3D41D41-V43 PolarHBondContact O-N 3.05Å; D41-V43 WeakPolarHBondContact OD1-CA 3.45Å; D41-V43 WeakPolarHBondContact OD1-CB 3.49Å; D41-V43 PolarHBondContact OD1-N 3.19Å
44E92.3Very high95.6Very high85 Ų8561.2 Ų61.240%0.39732%0.316SS..THydrogen-bonded Turntrans-96.24.9-177.4-61.4-162.1147.100114D41 F46 V47D41-E44 HydrophobicContact CB-CB 4.47Å; D41-E44 PolarHBondContact OD1-N 2.89Å; E44-F46 PolarHBondContact O-N 3.49Å; E44-V47 HydrophobicContact CB-CG1 3.89Å; E44-V47 HydrophobicContact CG-CG1 4.44Å; E44-V47 VanDerWaalsContact OE2-CG1 3.25Å; E44-V47 WeakPolarHBondContact OE2-CG1 3.47Å
45E95.7Very high95.7Very high143 Ų14360.9 Ų60.967%0.66832%0.317SS*.EExtended strand (participates in β ladder)trans65.8-54.3-172.6-149.588.7-16800113P40 D41P40-E45 CarbonylContact C-O 3.38Å; P40-E45 WeakPolarHBondContact CA-O 3.36Å; D41-E45 PolarHBondContact N-O 3.23Å; D41-E45 CarbonylContact O-C 3.54Å; D41-E45 VanDerWaalsContact O-CA 3.22Å; D41-E45 WeakPolarHBondContact O-CA 3.41Å; D41-E45 PolarHBondContact O-N 2.8Å; D41-E45 VanDerWaalsContact O-N 3.12Å
46F97Very high95.5Very high31 Ų3159.4 Ų59.414%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-141.6138.9177-65.3-80.5000112.1V39 E44 L77 E98 P99 F103V39-F46 WeakPolarHBondContact O-CA 3.27Å; E44-F46 PolarHBondContact O-N 3.49Å; F46-L77 HydrophobicContact CE1-CD1 4.2Å; F46-E98 HydrophobicContact CE2-CB 4.25Å; F46-P99 HydrophobicContact CB-CB 3.88Å; F46-P99 HydrophobicContact CD1-CB 4.12Å; F46-P99 HydrophobicContact CD1-CG 3.99Å; F46-P99 HydrophobicContact CD2-CB 4.35Å; F46-P99 HydrophobicContact CE1-CG 4.27Å; F46-P99 HydrophobicContact CG-CB 3.87Å; F46-P99 HydrophobicContact CG-CG 4.21Å; F46-F103 HydrophobicContact CB-CE2 4.47Å
47V97.1Very high95.4Very high1 Ų162.6 Ų62.61%0.00635%0.351CS..EExtended strand (participates in β ladder)trans-129.3151.3175.7-630000111.7F38 V39 D41 E44 T63F38-V47 VanDerWaalsContact CA-O 3.3Å; F38-V47 WeakPolarHBondContact CA-O 3.47Å; V39-V47 HydrophobicContact CG2-CG2 3.69Å; V39-V47 PolarHBondContact N-O 2.69Å; V39-V47 PolarHBondContact O-N 2.74Å; D41-V47 HydrophobicContact CB-CG1 3.8Å; D41-V47 HydrophobicContact CB-CG2 4.16Å; E44-V47 HydrophobicContact CB-CG1 3.89Å; E44-V47 HydrophobicContact CG-CG1 4.44Å; E44-V47 VanDerWaalsContact OE2-CG1 3.25Å; E44-V47 WeakPolarHBondContact OE2-CG1 3.47Å; V47-T63 HydrophobicContact CG2-CG2 3.8Å
48K97Very high95.3Very high36 Ų3668.8 Ų68.816%0.15738%0.377CS..EExtended strand (participates in β ladder)trans-68.8144167-68.6-178.2177.4-174.90109.7F38 T63 Q64 F103 E107F38-K48 HydrophobicContact CD1-CG 3.85Å; F38-K48 HydrophobicContact CE1-CD 4.38Å; F38-K48 HydrophobicContact CE1-CG 3.47Å; F38-K48 VanDerWaalsContact CE1-CG 3.47Å; F38-K48 HydrophobicContact CZ-CG 4.48Å; K48-T63 CarbonylContact O-C 3.59Å; K48-Q64 HydrophobicContact CB-CB 4.24Å; K48-Q64 HydrophobicContact CB-CG 4.44Å; K48-Q64 PolarHBondContact O-N 3.47Å; K48-F103 HydrophobicContact CD-CD1 4.24Å; K48-F103 HydrophobicContact CD-CE1 4.1Å; K48-F103 VanDerWaalsContact CE-CD1 3.47Å; K48-F103 HydrophobicContact CG-CD1 4.16Å; K48-F103 HydrophobicContact CG-CE1 3.75Å; K48-F103 HydrophobicContact CG-CZ 4.05Å; K48-E107 WeakPolarHBondContact CE-OE1 3.47Å; K48-E107 IonicContact NZ-OE1 2.96Å; K48-E107 PolarHBondContact NZ-OE1 2.99Å
49A97.1Very high95.2Very high2 Ų268.5 Ų68.52%0.01738%0.376CS..EExtended strand (participates in β ladder)trans-148161.1176.700000112.2C37 V39 V61 E62 T63C37-A49 PolarHBondContact N-O 2.77Å; C37-A49 PolarHBondContact O-N 3.14Å; V39-A49 HydrophobicContact CG1-CB 4.27Å; V39-A49 HydrophobicContact CG2-CB 3.91Å; A49-V61 HydrophobicContact CB-CB 3.89Å; A49-V61 HydrophobicContact CB-CG2 3.78Å; A49-E62 CarbonylContact C-O 3.59Å; A49-E62 WeakPolarHBondContact CA-O 3.32Å; A49-E62 WeakPolarHBondContact CB-O 3.39Å; A49-T63 HydrophobicContact CB-CG2 4.5Å
50T97.2Very high95.2Very high62 Ų6269.8 Ų69.838%0.3838%0.384SS..EExtended strand (participates in β ladder)trans-115.9124.7175.8-55.60000109.2K35 I52 V61 E62K35-T50 HydrophobicContact CB-CG2 4.13Å; K35-T50 CarbonylContact O-C 3.59Å; K35-T50 WeakPolarHBondContact O-CA 3.44Å; T50-I52 PolarHBondContact O-N 3.43Å; T50-V61 CarbonylContact O-C 3.58Å; T50-V61 VanDerWaalsContact O-CA 3.3Å; T50-V61 WeakPolarHBondContact O-CA 3.27Å; T50-E62 PolarHBondContact N-O 2.89Å; T50-E62 PolarHBondContact O-N 2.63Å
51V96.9Very high95.3Very high10 Ų1066.8 Ų66.86%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-66.9126.9176.3179.10000110.6K35 R54 V59 V61K35-V51 PolarHBondContact O-N 3.11Å; V51-R54 HydrophobicContact CG1-CG 4.08Å; V51-V59 HydrophobicContact CB-CG1 4.39Å; V51-V59 HydrophobicContact CG1-CG1 3.59Å; V51-V59 HydrophobicContact CG2-CG1 4.04Å; V51-V61 HydrophobicContact CG2-CG1 4.05Å
52I96.3Very high95.4Very high100 Ų10069.3 Ų69.351%0.51338%0.375SS..EExtended strand (participates in β ladder)trans-96.3-53.1175.4-56.7170.1000110.1T50 T60 E62 T68T50-I52 PolarHBondContact O-N 3.43Å; I52-T60 HydrophobicContact CD1-CG2 4.36Å; I52-T60 PolarHBondContact N-O 3.28Å; I52-E62 HydrophobicContact CD1-CB 3.72Å; I52-E62 HydrophobicContact CG1-CB 4.1Å; I52-T68 HydrophobicContact CD1-CG2 4.06Å
53S95.6Very high95.6Very high41 Ų4164.1 Ų64.129%0.28734%0.338SS..EExtended strand (participates in β ladder)trans-145.7154.9-178.868.90000112V59 T60S53-V59 WeakPolarHBondContact O-CG1 3.39Å; S53-T60 PolarHBondContact N-O 3.1Å; S53-T60 PolarHBondContact O-N 3.04Å; S53-T60 WeakPolarHBondContact OG-CB 3.44Å
54R95.4Very high95.6Very high121 Ų12162.5 Ų62.546%0.45732%0.322SS..EExtended strand (participates in β ladder)trans-123.9124.7174.1-69-175.5170.292-0.6108.8K34 V51 V59 E73K34-R54 PolarHBondContact O-NH1 3.1Å; K34-R54 VanDerWaalsContact O-NH1 3.16Å; K34-R54 PolarHBondContact O-NH2 3.21Å; V51-R54 HydrophobicContact CG1-CG 4.08Å; R54-V59 HydrophobicContact CG-CG1 3.99Å; R54-V59 HydrophobicContact CG-CG2 4.09Å; R54-E73 WeakPolarHBondContact CD-OE2 3.32Å; R54-E73 IonicContact NE-OE1 3.33Å; R54-E73 PolarHBondContact NE-OE1 3.4Å; R54-E73 IonicContact NE-OE2 3.23Å; R54-E73 PolarHBondContact NE-OE2 2.88Å; R54-E73 IonicContact NH2-OE1 3.14Å
55E93.6Very high95.5Very high144 Ų14463.2 Ų63.267%0.67333%0.329SS*.EExtended strand (participates in β ladder)trans-13189.2-178.6-69.7177.7-157.700109.4D57 K58E55-D57 PolarHBondContact O-N 3.34Å; E55-K58 CarbonylContact C-O 3.41Å; E55-K58 PolarHBondContact N-O 2.69Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.12Å
56G91.5Very high95.3Very high76 Ų7659 Ų5978%0.78432%0.323SS*.THydrogen-bonded Turntrans64.3-119.8-176.400000111.7K58G56-K58 VanDerWaalsContact C-N 3.31Å
57D93.6Very high95.2Very high104 Ų10463.3 Ų63.356%0.55634%0.342SS*.THydrogen-bonded Turntrans-87.41.4178.7-170.841.2000113.2E55 K72 E73E55-D57 PolarHBondContact O-N 3.34Å; D57-K72 CarbonylContact O-C 3.56Å; D57-K72 VanDerWaalsContact O-CA 3.31Å; D57-K72 WeakPolarHBondContact O-CA 3.33Å; D57-E73 PolarHBondContact O-N 3.12Å
58K95.1Very high95.2Very high134 Ų13467 Ų6758%0.58337%0.365SS*.EExtended strand (participates in β ladder)trans-112138.9-179.4-67.8-176.3-177.41790111E55 G56 T70 V71E55-K58 CarbonylContact C-O 3.41Å; E55-K58 PolarHBondContact N-O 2.69Å; E55-K58 PolarHBondContact O-N 2.9Å; E55-K58 VanDerWaalsContact O-N 3.12Å; G56-K58 VanDerWaalsContact C-N 3.31Å; K58-T70 HydrophobicContact CB-CG2 3.84Å; K58-T70 HydrophobicContact CD-CG2 4.21Å; K58-T70 HydrophobicContact CG-CG2 4.35Å; K58-V71 WeakPolarHBondContact CA-O 3.43Å
59V96.4Very high95.1Very high0 Ų066.8 Ų66.80%037%0.366CS..EExtended strand (participates in β ladder)trans-127.6126179.4-172.70000109.3V51 S53 R54 V61 T70 V71 E73 I76V51-V59 HydrophobicContact CB-CG1 4.39Å; V51-V59 HydrophobicContact CG1-CG1 3.59Å; V51-V59 HydrophobicContact CG2-CG1 4.04Å; S53-V59 WeakPolarHBondContact O-CG1 3.39Å; R54-V59 HydrophobicContact CG-CG1 3.99Å; R54-V59 HydrophobicContact CG-CG2 4.09Å; V59-V61 HydrophobicContact CG1-CG1 3.85Å; V59-T70 WeakPolarHBondContact O-CA 3.39Å; V59-V71 PolarHBondContact N-O 3.1Å; V59-V71 PolarHBondContact O-N 3.36Å; V59-E73 HydrophobicContact CG2-CB 3.9Å; V59-E73 HydrophobicContact CG2-CG 4.34Å; V59-E73 WeakPolarHBondContact CG2-OE2 3.41Å; V59-I76 HydrophobicContact CB-CD1 3.43Å; V59-I76 VanDerWaalsContact CB-CD1 3.43Å; V59-I76 HydrophobicContact CG1-CD1 3.41Å; V59-I76 VanDerWaalsContact CG1-CD1 3.41Å; V59-I76 HydrophobicContact CG2-CD1 3.67Å
60T96.7Very high95Very high28 Ų2870.8 Ų70.817%0.17239%0.39CS..EExtended strand (participates in β ladder)trans-92.3121.2173.9-590000108.4I52 S53 T68 V69 T70I52-T60 HydrophobicContact CD1-CG2 4.36Å; I52-T60 PolarHBondContact N-O 3.28Å; S53-T60 PolarHBondContact N-O 3.1Å; S53-T60 PolarHBondContact O-N 3.04Å; S53-T60 WeakPolarHBondContact OG-CB 3.44Å; T60-T68 HydrophobicContact CG2-CG2 3.47Å; T60-T68 VanDerWaalsContact CG2-CG2 3.47Å; T60-V69 WeakPolarHBondContact CA-O 3.29Å; T60-T70 PolarHBondContact OG1-OG1 3.11Å
61V96.9Very high94.9Very high0 Ų069 Ų690%038%0.38CS..EExtended strand (participates in β ladder)trans-122.2148.7-179.5-53.10000110.7V39 A49 T50 V51 V59 T68 V69 I76V39-V61 HydrophobicContact CG1-CG1 4.35Å; V39-V61 HydrophobicContact CG1-CG2 3.92Å; V39-V61 HydrophobicContact CG2-CG2 4.17Å; A49-V61 HydrophobicContact CB-CB 3.89Å; A49-V61 HydrophobicContact CB-CG2 3.78Å; T50-V61 CarbonylContact O-C 3.58Å; T50-V61 VanDerWaalsContact O-CA 3.3Å; T50-V61 WeakPolarHBondContact O-CA 3.27Å; V51-V61 HydrophobicContact CG2-CG1 4.05Å; V59-V61 HydrophobicContact CG1-CG1 3.85Å; V61-T68 WeakPolarHBondContact O-CA 3.41Å; V61-V69 HydrophobicContact CG2-CG2 3.5Å; V61-V69 VanDerWaalsContact CG2-CG2 3.5Å; V61-V69 PolarHBondContact N-O 3.46Å; V61-V69 PolarHBondContact O-N 3.09Å; V61-I76 HydrophobicContact CG1-CD1 4.12Å
62E97.4Very high94.9Very high94 Ų9474.2 Ų74.244%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-98.2114.7166.9-174.9173.7-126.400108.4A49 T50 I52A49-E62 CarbonylContact C-O 3.59Å; A49-E62 WeakPolarHBondContact CA-O 3.32Å; A49-E62 WeakPolarHBondContact CB-O 3.39Å; T50-E62 PolarHBondContact N-O 2.89Å; T50-E62 PolarHBondContact O-N 2.63Å; I52-E62 HydrophobicContact CD1-CB 3.72Å; I52-E62 HydrophobicContact CG1-CB 4.1Å
63T95.6Very high94.8Very high8 Ų872.8 Ų72.85%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-69.5156.6176.462.60000110.8V39 V47 K48 A49 N65 G66 K67 V69V39-T63 HydrophobicContact CG2-CG2 4.29Å; V47-T63 HydrophobicContact CG2-CG2 3.8Å; K48-T63 CarbonylContact O-C 3.59Å; A49-T63 HydrophobicContact CB-CG2 4.5Å; T63-N65 PolarHBondContact O-N 2.97Å; T63-G66 PolarHBondContact O-N 3.34Å; T63-K67 WeakPolarHBondContact CB-O 3.46Å; T63-K67 WeakPolarHBondContact CG2-O 3.41Å; T63-K67 PolarHBondContact N-O 2.96Å; T63-K67 WeakPolarHBondContact OG1-CB 3.46Å; T63-K67 PolarHBondContact OG1-N 2.86Å; T63-K67 VanDerWaalsContact OG1-N 3.13Å; T63-K67 PolarHBondContact OG1-O 3.1Å; T63-V69 HydrophobicContact CG2-CG2 3.96Å
64Q92.8Very high94.8Very high92 Ų9274.8 Ų74.843%0.4341%0.412SS..THydrogen-bonded Turntrans-56.9-18.2175.168.9-1780.600113.7K48 G66K48-Q64 HydrophobicContact CB-CB 4.24Å; K48-Q64 HydrophobicContact CB-CG 4.44Å; K48-Q64 PolarHBondContact O-N 3.47Å; Q64-G66 VanDerWaalsContact C-N 3.29Å
65N91Very high94.7Very high101 Ų10172.7 Ų72.754%0.5441%0.409SS..THydrogen-bonded Turntrans-88.35.7177.5-62.5-16000112.4T63 K67T63-N65 PolarHBondContact O-N 2.97Å; N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 2.87Å
66G92.1Very high94.8Very high53 Ų5366.4 Ų66.455%0.54638%0.38SS..SBendtrans797.9179.700000114.8T63 Q64T63-G66 PolarHBondContact O-N 3.34Å; Q64-G66 VanDerWaalsContact C-N 3.29Å
67K94.1Very high95.1Very high122 Ų12265.1 Ų65.153%0.5336%0.356SS..  trans-90.2128.7177.2-174.3-173.9177.5-173.40110.2T63 N65 V69T63-K67 WeakPolarHBondContact CB-O 3.46Å; T63-K67 WeakPolarHBondContact CG2-O 3.41Å; T63-K67 PolarHBondContact N-O 2.96Å; T63-K67 WeakPolarHBondContact OG1-CB 3.46Å; T63-K67 PolarHBondContact OG1-N 2.86Å; T63-K67 VanDerWaalsContact OG1-N 3.13Å; T63-K67 PolarHBondContact OG1-O 3.1Å; N65-K67 VanDerWaalsContact C-N 3.31Å; N65-K67 PolarHBondContact O-N 2.87Å; K67-V69 HydrophobicContact CD-CG1 3.87Å; K67-V69 HydrophobicContact CG-CG1 3.93Å
68T96Very high95.2Very high80 Ų8064 Ų6449%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-85.4126.3170.5-540000110.2I52 T60 V61I52-T68 HydrophobicContact CD1-CG2 4.06Å; T60-T68 HydrophobicContact CG2-CG2 3.47Å; T60-T68 VanDerWaalsContact CG2-CG2 3.47Å; V61-T68 WeakPolarHBondContact O-CA 3.41Å
69V95.3Very high95.3Very high31 Ų3157.9 Ų57.919%0.18832%0.32CS..EExtended strand (participates in β ladder)trans-134149.7178.4-61.30000110.4T60 V61 T63 K67 V71T60-V69 WeakPolarHBondContact CA-O 3.29Å; V61-V69 HydrophobicContact CG2-CG2 3.5Å; V61-V69 VanDerWaalsContact CG2-CG2 3.5Å; V61-V69 PolarHBondContact N-O 3.46Å; V61-V69 PolarHBondContact O-N 3.09Å; T63-V69 HydrophobicContact CG2-CG2 3.96Å; K67-V69 HydrophobicContact CD-CG1 3.87Å; K67-V69 HydrophobicContact CG-CG1 3.93Å; V69-V71 HydrophobicContact CG2-CG1 4.27Å
70T95.9Very high95.3Very high85 Ų8558.9 Ų58.952%0.52133%0.326SS..EExtended strand (participates in β ladder)trans-108.5119.9173.1-54.90000108.8K58 V59 T60K58-T70 HydrophobicContact CB-CG2 3.84Å; K58-T70 HydrophobicContact CD-CG2 4.21Å; K58-T70 HydrophobicContact CG-CG2 4.35Å; V59-T70 WeakPolarHBondContact O-CA 3.39Å; T60-T70 PolarHBondContact OG1-OG1 3.11Å
71V95.7Very high95.3Very high25 Ų2558.9 Ų58.915%0.15233%0.326CS..EExtended strand (participates in β ladder)trans-120.3168.7179.6-63.10000110.1V39 K58 V59 V69 I76V39-V71 HydrophobicContact CG1-CG2 3.98Å; K58-V71 WeakPolarHBondContact CA-O 3.43Å; V59-V71 PolarHBondContact N-O 3.1Å; V59-V71 PolarHBondContact O-N 3.36Å; V69-V71 HydrophobicContact CG2-CG1 4.27Å; V71-I76 HydrophobicContact CG2-CD1 3.97Å; V71-I76 HydrophobicContact CG2-CG1 3.76Å
72K96.1Very high95.2Very high120 Ų12059.4 Ų59.452%0.52233%0.33SS..EExtended strand (participates in β ladder)trans-75.7148171.9-61.2179.3-179.91770109.9D57 A74 D75D57-K72 CarbonylContact O-C 3.56Å; D57-K72 VanDerWaalsContact O-CA 3.31Å; D57-K72 WeakPolarHBondContact O-CA 3.33Å; K72-A74 PolarHBondContact O-N 3.47Å; K72-D75 PolarHBondContact O-N 3.36Å
73E94.2Very high95Very high69 Ų6962 Ų6232%0.32234%0.34SS..G310 helixtrans-58.6-34.8176.7-175.382.3-142.600111.1R54 D57 V59 D75 I76R54-E73 WeakPolarHBondContact CD-OE2 3.32Å; R54-E73 IonicContact NE-OE1 3.33Å; R54-E73 PolarHBondContact NE-OE1 3.4Å; R54-E73 IonicContact NE-OE2 3.23Å; R54-E73 PolarHBondContact NE-OE2 2.88Å; R54-E73 IonicContact NH2-OE1 3.14Å; D57-E73 PolarHBondContact O-N 3.12Å; V59-E73 HydrophobicContact CG2-CB 3.9Å; V59-E73 HydrophobicContact CG2-CG 4.34Å; V59-E73 WeakPolarHBondContact CG2-OE2 3.41Å; E73-D75 PolarHBondContact O-N 3.18Å; E73-I76 WeakPolarHBondContact O-CB 3.45Å; E73-I76 PolarHBondContact O-N 3.07Å; E73-I76 VanDerWaalsContact O-N 3.17Å
74A94.6Very high94.9Very high84 Ų8462.9 Ų62.969%0.69434%0.343SS*.G310 helixtrans-63.9-23.3176.900000114.7K72 I76K72-A74 PolarHBondContact O-N 3.47Å; A74-I76 VanDerWaalsContact C-N 3.33Å
75D94.8Very high94.9Very high76 Ų7660.5 Ų60.541%0.40633%0.333SS..G310 helixtrans-88.9-4.1179.9-59.7-35.5000112P40 K72 E73P40-D75 HydrophobicContact CG-CB 4.25Å; K72-D75 PolarHBondContact O-N 3.36Å; E73-D75 PolarHBondContact O-N 3.18Å
76I95.4Very high95.1Very high12 Ų1258.3 Ų58.36%0.06232%0.319CS..  trans-85.5124.9179.2-68.2-172.8000110.3C37 V39 V59 V61 V71 E73 A74C37-I76 HydrophobicContact CB-CG2 3.52Å; V39-I76 HydrophobicContact CG1-CG1 4.18Å; V59-I76 HydrophobicContact CB-CD1 3.43Å; V59-I76 VanDerWaalsContact CB-CD1 3.43Å; V59-I76 HydrophobicContact CG1-CD1 3.41Å; V59-I76 VanDerWaalsContact CG1-CD1 3.41Å; V59-I76 HydrophobicContact CG2-CD1 3.67Å; V61-I76 HydrophobicContact CG1-CD1 4.12Å; V71-I76 HydrophobicContact CG2-CD1 3.97Å; V71-I76 HydrophobicContact CG2-CG1 3.76Å; E73-I76 WeakPolarHBondContact O-CB 3.45Å; E73-I76 PolarHBondContact O-N 3.07Å; E73-I76 VanDerWaalsContact O-N 3.17Å; A74-I76 VanDerWaalsContact C-N 3.33Å
77L97Very high95.3Very high50 Ų5057.5 Ų57.526%0.26230%0.301SS..EExtended strand (participates in β ladder)trans-112.3131.6177.1-62.6175.1000110.2C37 F38 F46 H97 P99C37-L77 CarbonylContact C-O 3.59Å; C37-L77 WeakPolarHBondContact CA-O 3.27Å; C37-L77 WeakPolarHBondContact CB-O 3.35Å; F38-L77 HydrophobicContact CB-CB 4.29Å; F38-L77 PolarHBondContact N-O 3.02Å; F38-L77 PolarHBondContact O-N 3.24Å; F46-L77 HydrophobicContact CE1-CD1 4.2Å; L77-H97 HydrophobicContact CD1-CB 4.42Å; L77-P99 HydrophobicContact CB-CG 4.31Å; L77-P99 HydrophobicContact CD1-CG 3.58Å
78Q96Very high95.5Very high79 Ų7954 Ų5437%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-70.4143.7-176.1-65.178.49.800111.9F95 H97Q78-F95 HydrophobicContact CB-CD1 4.26Å; Q78-F95 HydrophobicContact CB-CD2 3.87Å; Q78-F95 HydrophobicContact CB-CE1 4.09Å; Q78-F95 HydrophobicContact CB-CE2 3.68Å; Q78-F95 HydrophobicContact CB-CG 4.15Å; Q78-F95 HydrophobicContact CB-CZ 3.79Å; Q78-F95 HydrophobicContact CG-CE1 4.41Å; Q78-F95 HydrophobicContact CG-CZ 4.21Å; Q78-H97 PolarHBondContact O-CE1 3.33Å; Q78-H97 VanDerWaalsContact O-CE1 3.27Å; Q78-H97 PolarHBondContact O-NE2 2.8Å
79Q97.3Very high95.6Very high7 Ų751.4 Ų51.43%0.03327%0.27CS..PPolyproline II helixtrans-77.1148.5167.9-67.4-1694400111F31 E36 C37 F38 F95F31-Q79 HydrophobicContact CE2-CB 3.86Å; F31-Q79 HydrophobicContact CZ-CB 4.05Å; F31-Q79 WeakPolarHBondContact CZ-O 3.44Å; E36-Q79 HydrophobicContact CB-CB 4.34Å; E36-Q79 HydrophobicContact CB-CG 4.4Å; E36-Q79 PolarHBondContact O-N 3.3Å; C37-Q79 PolarHBondContact O-NE2 2.87Å; F38-Q79 HydrophobicContact CD1-CG 4.4Å; F38-Q79 HydrophobicContact CD2-CG 3.85Å; F38-Q79 HydrophobicContact CE1-CG 4.17Å; F38-Q79 HydrophobicContact CE2-CB 4.21Å; F38-Q79 HydrophobicContact CE2-CG 3.62Å; F38-Q79 HydrophobicContact CG-CG 4.25Å; F38-Q79 HydrophobicContact CZ-CG 3.78Å; Q79-F95 WeakPolarHBondContact O-CD2 3.22Å; Q79-F95 WeakPolarHBondContact O-CE2 3.35Å
80N97.1Very high95.7Very high20 Ų2049.9 Ų49.911%0.10726%0.261CS..PPolyproline II helixtrans-72.6141.8170.3-77.7-77.3000110.3F84 L93 T94 F95 A100N80-F84 HydrophobicContact CB-CB 4Å; N80-F84 HydrophobicContact CB-CD2 3.97Å; N80-F84 HydrophobicContact CB-CG 4.29Å; N80-L93 HydrophobicContact CB-CD2 4.28Å; N80-T94 PolarHBondContact OD1-N 3.49Å; N80-F95 PolarHBondContact ND2-O 3.09Å; N80-F95 PolarHBondContact OD1-N 2.87Å; N80-A100 WeakPolarHBondContact ND2-CB 3.24Å
81P95.6Very high95.8Very high29 Ų2948.1 Ų48.119%0.18826%0.255CS..PPolyproline II helixtrans-56.7154.8175.4-25.431.6000113F31 K83 F84F31-P81 HydrophobicContact CD1-CB 4.29Å; F31-P81 HydrophobicContact CE1-CB 4.18Å; F31-P81 HydrophobicContact CE1-CG 4.12Å; P81-K83 HydrophobicContact CB-CG 4.32Å; P81-K83 PolarHBondContact O-N 3.46Å; P81-F84 HydrophobicContact CB-CD2 4.39Å; P81-F84 HydrophobicContact CG-CD2 4.43Å; P81-F84 HydrophobicContact CG-CE2 4.44Å; P81-F84 WeakPolarHBondContact O-CB 3.4Å; P81-F84 WeakPolarHBondContact O-CD2 3.32Å; P81-F84 PolarHBondContact O-N 3.36Å
82P94.4Very high95.8Very high11 Ų1152.7 Ų52.77%0.07128%0.276CS..G310 helixtrans-60.5-20.1-173.1-25.233.8000115.8A26 R29 F31 F84 D85A26-P82 WeakPolarHBondContact O-CB 3.4Å; R29-P82 HydrophobicContact CG-CB 3.63Å; R29-P82 HydrophobicContact CG-CG 3.46Å; R29-P82 VanDerWaalsContact CG-CG 3.46Å; F31-P82 VanDerWaalsContact CB-CD 3.45Å; F31-P82 HydrophobicContact CB-CG 3.47Å; F31-P82 VanDerWaalsContact CB-CG 3.47Å; F31-P82 HydrophobicContact CD2-CG 4.15Å; F31-P82 VanDerWaalsContact CG-CD 3.45Å; F31-P82 HydrophobicContact CG-CG 3.92Å; P82-F84 PolarHBondContact O-N 3.34Å; P82-F84 VanDerWaalsContact O-N 3.08Å; P82-D85 WeakPolarHBondContact O-CB 3.39Å; P82-D85 PolarHBondContact O-N 2.86Å
83K93.3Very high95.8Very high149 Ų14947.7 Ų47.765%0.64826%0.255SS*.G310 helixtrans-57.6-20.1171.272.3-177.2-176.2177.30113.5P81P81-K83 HydrophobicContact CB-CG 4.32Å; P81-K83 PolarHBondContact O-N 3.46Å
84F94.6Very high95.9Very high26 Ų2648.8 Ų48.811%0.11427%0.266CS..G310 helixtrans-96.74176.8-64-69.9000113.4N80 P81 P82 K86 I87 M92 L93 T94N80-F84 HydrophobicContact CB-CB 4Å; N80-F84 HydrophobicContact CB-CD2 3.97Å; N80-F84 HydrophobicContact CB-CG 4.29Å; P81-F84 HydrophobicContact CB-CD2 4.39Å; P81-F84 HydrophobicContact CG-CD2 4.43Å; P81-F84 HydrophobicContact CG-CE2 4.44Å; P81-F84 WeakPolarHBondContact O-CB 3.4Å; P81-F84 WeakPolarHBondContact O-CD2 3.32Å; P81-F84 PolarHBondContact O-N 3.36Å; P82-F84 PolarHBondContact O-N 3.34Å; P82-F84 VanDerWaalsContact O-N 3.08Å; F84-K86 PolarHBondContact O-N 3.18Å; F84-I87 HydrophobicContact CD1-CD1 3.76Å; F84-I87 HydrophobicContact CE1-CD1 4.39Å; F84-I87 WeakPolarHBondContact O-CB 3.5Å; F84-I87 PolarHBondContact O-N 2.91Å; F84-M92 WeakPolarHBondContact CE1-O 3.33Å; F84-L93 HydrophobicContact CB-CD2 3.75Å; F84-L93 HydrophobicContact CD1-CD2 4.2Å; F84-L93 HydrophobicContact CG-CD2 4.13Å; F84-T94 VanDerWaalsContact CE2-OG1 3.23Å; F84-T94 WeakPolarHBondContact CE2-OG1 3.35Å; F84-T94 WeakPolarHBondContact CZ-OG1 3.41Å
85D91.5Very high96Very high42 Ų4247.2 Ų47.223%0.22524%0.244CC..THydrogen-bonded Turntrans-58128.5179.1-17838.3000110.7A26 P82 I87A26-D85 VanDerWaalsContact CB-OD2 3.27Å; A26-D85 WeakPolarHBondContact CB-OD2 3.18Å; P82-D85 WeakPolarHBondContact O-CB 3.39Å; P82-D85 PolarHBondContact O-N 2.86Å; D85-I87 PolarHBondContact O-N 2.88Å; D85-I87 VanDerWaalsContact O-N 3.16Å
86K96.3Very high96.1Very high55 Ų5548.5 Ų48.524%0.23925%0.25CS..THydrogen-bonded Turntrans50.537.9-179-65165.8-160.164.30113.1F84 N104 E107 R108 A111 M113F84-K86 PolarHBondContact O-N 3.18Å; K86-N104 VanDerWaalsContact CA-OD1 3.24Å; K86-N104 WeakPolarHBondContact CA-OD1 3.42Å; K86-N104 PolarHBondContact N-OD1 2.84Å; K86-E107 HydrophobicContact CG-CB 4.11Å; K86-R108 HydrophobicContact CB-CG 3.64Å; K86-R108 HydrophobicContact CG-CG 3.86Å; K86-R108 PolarHBondContact O-NH1 3.39Å; K86-A111 HydrophobicContact CD-CB 4.33Å; K86-M113 HydrophobicContact CB-CE 4.07Å; K86-M113 HydrophobicContact CD-CE 3.79Å; K86-M113 HydrophobicContact CG-CE 4.21Å
87I97Very high96.2Very high36 Ų3649.7 Ų49.719%0.18526%0.255CS..  trans-57.6142.6-179.4-165.5156.9000111.6F84 D85 M90 M92 L93 N104 R108F84-I87 HydrophobicContact CD1-CD1 3.76Å; F84-I87 HydrophobicContact CE1-CD1 4.39Å; F84-I87 WeakPolarHBondContact O-CB 3.5Å; F84-I87 PolarHBondContact O-N 2.91Å; D85-I87 PolarHBondContact O-N 2.88Å; D85-I87 VanDerWaalsContact O-N 3.16Å; I87-M90 HydrophobicContact CG2-CG 4.36Å; I87-M92 HydrophobicContact CD1-CB 3.64Å; I87-L93 HydrophobicContact CG2-CD2 3.73Å; I87-L93 HydrophobicContact CG2-CG 4.15Å; I87-N104 PolarHBondContact N-OD1 3.5Å; I87-N104 PolarHBondContact O-ND2 2.87Å; I87-N104 VanDerWaalsContact O-ND2 3.14Å; I87-R108 WeakPolarHBondContact O-CD 3.4Å
88E97.7Very high96.2Very high47 Ų4754.1 Ų54.122%0.2228%0.275CS..SBendtrans-75.7-28.3-177.3-67.3-171.1156.900113.4R17 Y117 P152R17-E88 IonicContact CZ-OE1 3.64Å; R17-E88 IonicContact CZ-OE2 2.89Å; R17-E88 IonicContact NE-OE1 3.77Å; R17-E88 PolarHBondContact NE-OE1 3.18Å; R17-E88 IonicContact NE-OE2 2.8Å; R17-E88 IonicContact NH2-OE1 2.72Å; R17-E88 PolarHBondContact NH2-OE1 3.48Å; R17-E88 IonicContact NH2-OE2 3.49Å; R17-E88 PolarHBondContact NH2-OE2 3.25Å; E88-Y117 WeakPolarHBondContact O-CA 3.41Å; E88-Y117 WeakPolarHBondContact O-CB 3.43Å; E88-Y117 PolarHBondContact O-N 3.03Å; E88-P152 HydrophobicContact CB-CG 3.62Å; E88-P152 HydrophobicContact CG-CG 4Å; E88-P152 WeakPolarHBondContact O-CG 3.48Å
89D98Very high96.3Very high26 Ų2650.3 Ų50.314%0.13926%0.257CS..BIsolated β-bridgetrans-127.7110.3174.4-166.7-15.2000110.3A91 M92 Y117 G119 R147D89-A91 PolarHBondContact O-N 2.92Å; D89-A91 WeakPolarHBondContact OD1-CB 3.22Å; D89-A91 PolarHBondContact OD1-N 2.59Å; D89-A91 VanDerWaalsContact OD1-N 3.07Å; D89-M92 HydrophobicContact CB-CG 4.23Å; D89-M92 WeakPolarHBondContact O-CB 3.43Å; D89-M92 PolarHBondContact O-N 3.4Å; D89-M92 VanDerWaalsContact O-N 3.14Å; D89-Y117 WeakPolarHBondContact CA-O 3.46Å; D89-G119 PolarHBondContact OD1-N 2.89Å; D89-R147 IonicContact OD1-NH2 2.64Å; D89-R147 IonicContact OD2-CZ 3.14Å; D89-R147 IonicContact OD2-NH2 2.95Å; D89-R147 PolarHBondContact OD2-NH2 2.96Å
90M98Very high96.3Very high0 Ų050.3 Ų50.30%026%0.258CS..G310 helixtrans-68.5-17.3-177.7-65.4-176.2-60.700112.9I87 M92 L93 L96 V101 N104 L105 T116 Y117 V123I87-M90 HydrophobicContact CG2-CG 4.36Å; M90-M92 PolarHBondContact O-N 3.11Å; M90-M92 VanDerWaalsContact O-N 3.13Å; M90-L93 HydrophobicContact CB-CD1 4.03Å; M90-L93 HydrophobicContact CG-CD1 4.35Å; M90-L93 WeakPolarHBondContact O-CB 3.33Å; M90-L93 VanDerWaalsContact O-CG 3.24Å; M90-L93 WeakPolarHBondContact O-CG 3.48Å; M90-L93 PolarHBondContact O-N 3.49Å; M90-L93 VanDerWaalsContact O-N 3.12Å; M90-L96 WeakPolarHBondContact O-CD1 3.46Å; M90-V101 HydrophobicContact CE-CG1 3.8Å; M90-V101 HydrophobicContact SD-CB 4.42Å; M90-V101 HydrophobicContact SD-CG1 3.88Å; M90-N104 HydrophobicContact CG-CB 4.32Å; M90-N104 WeakPolarHBondContact CG-ND2 3.39Å; M90-N104 HydrophobicContact SD-CB 3.95Å; M90-N104 PolarHBondContact SD-ND2 3.46Å; M90-N104 VanDerWaalsContact SD-ND2 3.38Å; M90-L105 HydrophobicContact CE-CD1 4.25Å; M90-L105 HydrophobicContact CE-CD2 3.83Å; M90-L105 HydrophobicContact CE-CG 3.98Å; M90-L105 HydrophobicContact SD-CD2 4.06Å; M90-L105 HydrophobicContact SD-CG 3.89Å; M90-T116 HydrophobicContact CE-CG2 4.15Å; M90-T116 HydrophobicContact CG-CG2 3.94Å; M90-T116 HydrophobicContact SD-CG2 4.07Å; M90-Y117 PolarHBondContact N-O 3.42Å; M90-V123 HydrophobicContact CE-CG2 4.32Å
91A96.5Very high96.3Very high47 Ų4751.2 Ų51.239%0.38826%0.264SS..G310 helixtrans-65-14.2173.100000113.1D89D89-A91 PolarHBondContact O-N 2.92Å; D89-A91 WeakPolarHBondContact OD1-CB 3.22Å; D89-A91 PolarHBondContact OD1-N 2.59Å; D89-A91 VanDerWaalsContact OD1-N 3.07Å
92M96.1Very high96.4Very high122 Ų12253.5 Ų53.560%0.60127%0.274SS*.G310 helixtrans-89.2-2.4177.5-59.1-64.8165.700113.2F84 I87 D89 M90F84-M92 WeakPolarHBondContact CE1-O 3.33Å; I87-M92 HydrophobicContact CD1-CB 3.64Å; D89-M92 HydrophobicContact CB-CG 4.23Å; D89-M92 WeakPolarHBondContact O-CB 3.43Å; D89-M92 PolarHBondContact O-N 3.4Å; D89-M92 VanDerWaalsContact O-N 3.14Å; M90-M92 PolarHBondContact O-N 3.11Å; M90-M92 VanDerWaalsContact O-N 3.13Å
93L96.4Very high96.6Very high15 Ų1553.5 Ų53.58%0.07927%0.273CS..  trans-64.1143.9175.9-66173.2000110.7N80 F84 I87 M90 L96 A100N80-L93 HydrophobicContact CB-CD2 4.28Å; F84-L93 HydrophobicContact CB-CD2 3.75Å; F84-L93 HydrophobicContact CD1-CD2 4.2Å; F84-L93 HydrophobicContact CG-CD2 4.13Å; I87-L93 HydrophobicContact CG2-CD2 3.73Å; I87-L93 HydrophobicContact CG2-CG 4.15Å; M90-L93 HydrophobicContact CB-CD1 4.03Å; M90-L93 HydrophobicContact CG-CD1 4.35Å; M90-L93 WeakPolarHBondContact O-CB 3.33Å; M90-L93 VanDerWaalsContact O-CG 3.24Å; M90-L93 WeakPolarHBondContact O-CG 3.48Å; M90-L93 PolarHBondContact O-N 3.49Å; M90-L93 VanDerWaalsContact O-N 3.12Å; L93-L96 HydrophobicContact CB-CD1 4.36Å; L93-L96 HydrophobicContact CD1-CD1 4.14Å; L93-A100 HydrophobicContact CD1-CB 4.25Å
94T96.4Very high96.8Very high91 Ų9146.7 Ų46.756%0.55824%0.244SC*.SBendtrans-73.5-47.5174.3-59.50000110.8N80 F84N80-T94 PolarHBondContact OD1-N 3.49Å; F84-T94 VanDerWaalsContact CE2-OG1 3.23Å; F84-T94 WeakPolarHBondContact CE2-OG1 3.35Å; F84-T94 WeakPolarHBondContact CZ-OG1 3.41Å
95F96.4Very high97Very high51 Ų5147.1 Ų47.122%0.22425%0.247CC..SBendtrans-99.3109.9172.7-53-66.6000108.6I33 Q78 Q79 N80 A100I33-F95 HydrophobicContact CD1-CE2 4.18Å; I33-F95 HydrophobicContact CD1-CZ 4.15Å; Q78-F95 HydrophobicContact CB-CD1 4.26Å; Q78-F95 HydrophobicContact CB-CD2 3.87Å; Q78-F95 HydrophobicContact CB-CE1 4.09Å; Q78-F95 HydrophobicContact CB-CE2 3.68Å; Q78-F95 HydrophobicContact CB-CG 4.15Å; Q78-F95 HydrophobicContact CB-CZ 3.79Å; Q78-F95 HydrophobicContact CG-CE1 4.41Å; Q78-F95 HydrophobicContact CG-CZ 4.21Å; Q79-F95 WeakPolarHBondContact O-CD2 3.22Å; Q79-F95 WeakPolarHBondContact O-CE2 3.35Å; N80-F95 PolarHBondContact ND2-O 3.09Å; N80-F95 PolarHBondContact OD1-N 2.87Å; F95-A100 VanDerWaalsContact O-CB 3.23Å; F95-A100 WeakPolarHBondContact O-CB 3.44Å
96L96.7Very high97.3Very high104 Ų10450 Ų5055%0.54526%0.258SS..  trans-111.367.6-178.2-16962.3000110.5M90 L93 V101M90-L96 WeakPolarHBondContact O-CD1 3.46Å; L93-L96 HydrophobicContact CB-CD1 4.36Å; L93-L96 HydrophobicContact CD1-CD1 4.14Å; L96-V101 HydrophobicContact CD1-CG2 3.76Å
97H97Very high97.4Very high36 Ų3649.8 Ų49.817%0.16726%0.257CS..SBendtrans-111.6172.2172.650.852000110.3F38 L77 Q78 P99 A100 V101F38-H97 AromaticContact CD2-CE1 3.71Å; F38-H97 AromaticContact CE2-CE1 3.93Å; L77-H97 HydrophobicContact CD1-CB 4.42Å; Q78-H97 PolarHBondContact O-CE1 3.33Å; Q78-H97 VanDerWaalsContact O-CE1 3.27Å; Q78-H97 PolarHBondContact O-NE2 2.8Å; H97-P99 WeakPolarHBondContact ND1-CD 3.48Å; H97-P99 WeakPolarHBondContact ND1-CG 3.26Å; H97-A100 VanDerWaalsContact CE1-CB 3.48Å; H97-A100 WeakPolarHBondContact CE1-CB 3.28Å; H97-A100 WeakPolarHBondContact ND1-CB 3.38Å; H97-A100 PolarHBondContact ND1-N 3.25Å; H97-A100 PolarHBondContact O-N 2.91Å; H97-V101 PolarHBondContact O-N 3.15Å
98E97.3Very high97.4Very high143 Ų14348.3 Ų48.367%0.66825%0.25SC*.Hα-helixtrans-53-50.9-174.3-63.3179.517300114.1F46 A100 V101 L102F46-E98 HydrophobicContact CE2-CB 4.25Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.36Å; E98-V101 PolarHBondContact O-N 2.86Å; E98-L102 WeakPolarHBondContact O-CB 3.35Å; E98-L102 PolarHBondContact O-N 3.06Å
99P97.8Very high97.5Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-68.3-30.3-179.323-30.4000113.1F38 F46 L77 H97 V101 L102 F103F38-P99 HydrophobicContact CB-CB 3.9Å; F38-P99 HydrophobicContact CB-CG 3.85Å; F38-P99 HydrophobicContact CD1-CB 3.97Å; F38-P99 HydrophobicContact CD2-CB 3.84Å; F38-P99 HydrophobicContact CD2-CG 3.9Å; F38-P99 HydrophobicContact CE1-CB 4.41Å; F38-P99 HydrophobicContact CE2-CB 4.27Å; F38-P99 HydrophobicContact CG-CB 3.65Å; F38-P99 HydrophobicContact CG-CG 3.94Å; F46-P99 HydrophobicContact CB-CB 3.88Å; F46-P99 HydrophobicContact CD1-CB 4.12Å; F46-P99 HydrophobicContact CD1-CG 3.99Å; F46-P99 HydrophobicContact CD2-CB 4.35Å; F46-P99 HydrophobicContact CE1-CG 4.27Å; F46-P99 HydrophobicContact CG-CB 3.87Å; F46-P99 HydrophobicContact CG-CG 4.21Å; L77-P99 HydrophobicContact CB-CG 4.31Å; L77-P99 HydrophobicContact CD1-CG 3.58Å; H97-P99 WeakPolarHBondContact ND1-CD 3.48Å; H97-P99 WeakPolarHBondContact ND1-CG 3.26Å; P99-V101 PolarHBondContact O-N 3.02Å; P99-L102 PolarHBondContact O-N 2.93Å; P99-F103 HydrophobicContact CB-CD2 4.35Å; P99-F103 WeakPolarHBondContact O-CB 3.45Å; P99-F103 VanDerWaalsContact O-CD2 3.29Å; P99-F103 WeakPolarHBondContact O-CD2 3.14Å; P99-F103 PolarHBondContact O-N 3.41Å
100A97.8Very high97.5Very high6 Ų651.5 Ų51.55%0.0528%0.275CS..Hα-helixtrans-62.1-44175.200000112.1N80 L93 F95 H97 E98 N104N80-A100 WeakPolarHBondContact ND2-CB 3.24Å; L93-A100 HydrophobicContact CD1-CB 4.25Å; F95-A100 VanDerWaalsContact O-CB 3.23Å; F95-A100 WeakPolarHBondContact O-CB 3.44Å; H97-A100 VanDerWaalsContact CE1-CB 3.48Å; H97-A100 WeakPolarHBondContact CE1-CB 3.28Å; H97-A100 WeakPolarHBondContact ND1-CB 3.38Å; H97-A100 PolarHBondContact ND1-N 3.25Å; H97-A100 PolarHBondContact O-N 2.91Å; E98-A100 VanDerWaalsContact C-N 3.34Å; E98-A100 PolarHBondContact O-N 3.36Å; A100-N104 WeakPolarHBondContact O-CB 3.44Å; A100-N104 PolarHBondContact O-N 2.71Å; A100-N104 VanDerWaalsContact O-N 3.14Å
101V98.1Very high97.4Very high39 Ų3952.3 Ų52.324%0.23628%0.281CS..Hα-helixtrans-64.9-48.4176175.30000110.5M90 L96 H97 E98 P99 F103 N104 L105M90-V101 HydrophobicContact CE-CG1 3.8Å; M90-V101 HydrophobicContact SD-CB 4.42Å; M90-V101 HydrophobicContact SD-CG1 3.88Å; L96-V101 HydrophobicContact CD1-CG2 3.76Å; H97-V101 PolarHBondContact O-N 3.15Å; E98-V101 PolarHBondContact O-N 2.86Å; P99-V101 PolarHBondContact O-N 3.02Å; V101-F103 PolarHBondContact O-N 2.97Å; V101-N104 PolarHBondContact O-N 3.11Å; V101-L105 HydrophobicContact CG1-CD1 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.27Å; V101-L105 PolarHBondContact O-N 3.44Å; V101-L105 VanDerWaalsContact O-N 3.1Å
102L98.1Very high97.5Very high78 Ų7854.6 Ų54.641%0.40828%0.28SS..Hα-helixtrans-56.6-50.7179.7174.662.3000111.9E98 P99 L105 K106E98-L102 WeakPolarHBondContact O-CB 3.35Å; E98-L102 PolarHBondContact O-N 3.06Å; P99-L102 PolarHBondContact O-N 2.93Å; L102-L105 PolarHBondContact O-N 3.33Å; L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 2.84Å
103F97.8Very high97.6Very high10 Ų1049 Ų494%0.04425%0.252CS..Hα-helixtrans-70.7-35.2-176-85.8-93.1000112.5F38 F46 K48 P99 V101 L105 K106 E107F38-F103 AromaticContact CD1-CD2 3.86Å; F38-F103 HydrophobicContact CD1-CD2 3.86Å; F38-F103 AromaticContact CD1-CE2 3.77Å; F38-F103 HydrophobicContact CD1-CE2 3.77Å; F38-F103 HydrophobicContact CD1-CZ 4.36Å; F38-F103 HydrophobicContact CE1-CB 4.08Å; F38-F103 HydrophobicContact CE1-CD1 4.09Å; F38-F103 AromaticContact CE1-CD2 3.26Å; F38-F103 HydrophobicContact CE1-CD2 3.26Å; F38-F103 HydrophobicContact CE1-CE1 4.34Å; F38-F103 AromaticContact CE1-CE2 3.58Å; F38-F103 HydrophobicContact CE1-CE2 3.58Å; F38-F103 AromaticContact CE1-CG 3.53Å; F38-F103 HydrophobicContact CE1-CG 3.53Å; F38-F103 HydrophobicContact CE1-CZ 4.11Å; F38-F103 HydrophobicContact CZ-CB 4.02Å; F38-F103 AromaticContact CZ-CD2 3.93Å; F38-F103 HydrophobicContact CZ-CD2 3.93Å; F38-F103 AromaticContact CZ-CG 3.99Å; F38-F103 HydrophobicContact CZ-CG 3.99Å; F46-F103 HydrophobicContact CB-CE2 4.47Å; K48-F103 HydrophobicContact CD-CD1 4.24Å; K48-F103 HydrophobicContact CD-CE1 4.1Å; K48-F103 VanDerWaalsContact CE-CD1 3.47Å; K48-F103 HydrophobicContact CG-CD1 4.16Å; K48-F103 HydrophobicContact CG-CE1 3.75Å; K48-F103 HydrophobicContact CG-CZ 4.05Å; P99-F103 HydrophobicContact CB-CD2 4.35Å; P99-F103 WeakPolarHBondContact O-CB 3.45Å; P99-F103 VanDerWaalsContact O-CD2 3.29Å; P99-F103 WeakPolarHBondContact O-CD2 3.14Å; P99-F103 PolarHBondContact O-N 3.41Å; V101-F103 PolarHBondContact O-N 2.97Å; F103-L105 PolarHBondContact O-N 2.94Å; F103-K106 HydrophobicContact CD1-CD 4.48Å; F103-K106 HydrophobicContact CE1-CD 4.49Å; F103-K106 PolarHBondContact O-N 3.23Å; F103-E107 WeakPolarHBondContact O-CB 3.45Å; F103-E107 VanDerWaalsContact O-CG 3.27Å; F103-E107 WeakPolarHBondContact O-CG 3.48Å; F103-E107 PolarHBondContact O-N 3.48Å
104N98.4Very high97.7Very high7 Ų748.4 Ų48.44%0.03725%0.249CC..Hα-helixtrans-62.5-44.2173.4-173.167.4000111.4K86 I87 M90 A100 V101 R108K86-N104 VanDerWaalsContact CA-OD1 3.24Å; K86-N104 WeakPolarHBondContact CA-OD1 3.42Å; K86-N104 PolarHBondContact N-OD1 2.84Å; I87-N104 PolarHBondContact N-OD1 3.5Å; I87-N104 PolarHBondContact O-ND2 2.87Å; I87-N104 VanDerWaalsContact O-ND2 3.14Å; M90-N104 HydrophobicContact CG-CB 4.32Å; M90-N104 WeakPolarHBondContact CG-ND2 3.39Å; M90-N104 HydrophobicContact SD-CB 3.95Å; M90-N104 PolarHBondContact SD-ND2 3.46Å; M90-N104 VanDerWaalsContact SD-ND2 3.38Å; A100-N104 WeakPolarHBondContact O-CB 3.44Å; A100-N104 PolarHBondContact O-N 2.71Å; A100-N104 VanDerWaalsContact O-N 3.14Å; V101-N104 PolarHBondContact O-N 3.11Å; N104-R108 WeakPolarHBondContact O-CB 3.23Å; N104-R108 VanDerWaalsContact O-CG 3.27Å; N104-R108 WeakPolarHBondContact O-CG 3.32Å; N104-R108 PolarHBondContact O-N 3.1Å
105L98.5Very high97.8Very high34 Ų3444.3 Ų44.318%0.17822%0.223CC..Hα-helixtrans-62.5-45.8174.3-68.8175000111.6M90 V101 L102 F103 E107 R108 Y109 T116 V123M90-L105 HydrophobicContact CE-CD1 4.25Å; M90-L105 HydrophobicContact CE-CD2 3.83Å; M90-L105 HydrophobicContact CE-CG 3.98Å; M90-L105 HydrophobicContact SD-CD2 4.06Å; M90-L105 HydrophobicContact SD-CG 3.89Å; V101-L105 HydrophobicContact CG1-CD1 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.27Å; V101-L105 PolarHBondContact O-N 3.44Å; V101-L105 VanDerWaalsContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 3.33Å; F103-L105 PolarHBondContact O-N 2.94Å; L105-E107 PolarHBondContact O-N 3.26Å; L105-R108 PolarHBondContact O-N 3.44Å; L105-Y109 WeakPolarHBondContact O-CB 3.18Å; L105-Y109 PolarHBondContact O-N 3.39Å; L105-T116 HydrophobicContact CD2-CG2 4.1Å; L105-V123 HydrophobicContact CD1-CG1 4.17Å; L105-V123 HydrophobicContact CD2-CB 4.21Å; L105-V123 HydrophobicContact CD2-CG1 3.83Å
106K98Very high97.9Very high104 Ų10442 Ų4245%0.45221%0.213SC..Hα-helixtrans-58.9-46.1179.5-174.6175.8-178.2173.80111.8L102 F103 Y109 A110L102-K106 WeakPolarHBondContact O-CB 3.36Å; L102-K106 PolarHBondContact O-N 2.84Å; F103-K106 HydrophobicContact CD1-CD 4.48Å; F103-K106 HydrophobicContact CE1-CD 4.49Å; F103-K106 PolarHBondContact O-N 3.23Å; K106-Y109 PolarHBondContact O-N 2.95Å; K106-A110 WeakPolarHBondContact O-CB 3.5Å; K106-A110 PolarHBondContact O-N 2.82Å
107E97.1Very high98Very high49 Ų4937.3 Ų37.323%0.22919%0.188CC..Hα-helixtrans-73.3-38.2-177.7-71.5171.8171.800112.8K48 K86 F103 L105 A111K48-E107 WeakPolarHBondContact CE-OE1 3.47Å; K48-E107 IonicContact NZ-OE1 2.96Å; K48-E107 PolarHBondContact NZ-OE1 2.99Å; K86-E107 HydrophobicContact CG-CB 4.11Å; F103-E107 WeakPolarHBondContact O-CB 3.45Å; F103-E107 VanDerWaalsContact O-CG 3.27Å; F103-E107 WeakPolarHBondContact O-CG 3.48Å; F103-E107 PolarHBondContact O-N 3.48Å; L105-E107 PolarHBondContact O-N 3.26Å; E107-A111 WeakPolarHBondContact O-CB 3.44Å; E107-A111 PolarHBondContact O-N 3.08Å
108R98.5Very high98Very high5 Ų537.1 Ų37.12%0.01919%0.191CC..Hα-helixtrans-63.4-44.9172.3-74-176.562.975.25.4110.9K86 I87 N104 L105 A111 W112 M113 Y115 T116K86-R108 HydrophobicContact CB-CG 3.64Å; K86-R108 HydrophobicContact CG-CG 3.86Å; K86-R108 PolarHBondContact O-NH1 3.39Å; I87-R108 WeakPolarHBondContact O-CD 3.4Å; N104-R108 WeakPolarHBondContact O-CB 3.23Å; N104-R108 VanDerWaalsContact O-CG 3.27Å; N104-R108 WeakPolarHBondContact O-CG 3.32Å; N104-R108 PolarHBondContact O-N 3.1Å; L105-R108 PolarHBondContact O-N 3.44Å; R108-A111 CarbonylContact O-C 3.49Å; R108-A111 WeakPolarHBondContact O-CA 3.43Å; R108-A111 WeakPolarHBondContact O-CB 3.45Å; R108-A111 PolarHBondContact O-N 3.31Å; R108-A111 VanDerWaalsContact O-N 3.12Å; R108-W112 PolarHBondContact O-N 3.27Å; R108-M113 CarbonylContact C-O 3.6Å; R108-M113 HydrophobicContact CB-CB 4.26Å; R108-M113 HydrophobicContact CB-CE 4.41Å; R108-M113 HydrophobicContact CG-CE 4.19Å; R108-M113 WeakPolarHBondContact O-CB 3.24Å; R108-M113 PolarHBondContact O-N 2.85Å; R108-Y115 PolarHBondContact NE-O 2.9Å; R108-Y115 PolarHBondContact NH2-O 3.48Å; R108-T116 VanDerWaalsContact CD-OG1 3.32Å; R108-T116 WeakPolarHBondContact CD-OG1 3.18Å; R108-T116 PolarHBondContact NE-OG1 3.1Å
109Y98.4Very high97.9Very high65 Ų6531.6 Ų31.626%0.25517%0.172SC..Hα-helixtrans-64.5-43.4178.4-176.7-105.8000112.6L105 K106 A111 W112 I114 V125 N126L105-Y109 WeakPolarHBondContact O-CB 3.18Å; L105-Y109 PolarHBondContact O-N 3.39Å; K106-Y109 PolarHBondContact O-N 2.95Å; Y109-A111 PolarHBondContact O-N 3.2Å; Y109-W112 WeakPolarHBondContact O-CA 3.39Å; Y109-W112 PolarHBondContact O-N 3.21Å; Y109-I114 HydrophobicContact CD2-CG2 4.16Å; Y109-I114 HydrophobicContact CE2-CG2 4.2Å; Y109-V125 HydrophobicContact CD2-CB 3.66Å; Y109-V125 HydrophobicContact CD2-CG1 3.39Å; Y109-V125 HydrophobicContact CD2-CG2 4.49Å; Y109-V125 HydrophobicContact CE2-CB 4.03Å; Y109-V125 HydrophobicContact CE2-CG1 3.49Å; Y109-V125 VanDerWaalsContact CE2-CG1 3.49Å; Y109-V125 HydrophobicContact CG-CB 4.41Å; Y109-V125 HydrophobicContact CG-CG1 3.94Å; Y109-N126 PolarHBondContact OH-O 2.93Å; Y109-N126 VanDerWaalsContact OH-O 3.07Å
110A97.6Very high97.8Very high76 Ų7639.2 Ų39.263%0.62821%0.212SC*.Hα-helixtrans-58.9-28.517400000112.4K106 W112K106-A110 WeakPolarHBondContact O-CB 3.5Å; K106-A110 PolarHBondContact O-N 2.82Å; A110-W112 VanDerWaalsContact C-N 3.31Å
111A97.1Very high97.7Very high16 Ų1646.1 Ų46.113%0.13224%0.241CC..THydrogen-bonded Turntrans-89.511.6174.900000113.8K18 K86 E107 R108 Y109 M113K18-A111 WeakPolarHBondContact CE-O 3.47Å; K18-A111 PolarHBondContact NZ-O 3.27Å; K86-A111 HydrophobicContact CD-CB 4.33Å; E107-A111 WeakPolarHBondContact O-CB 3.44Å; E107-A111 PolarHBondContact O-N 3.08Å; R108-A111 CarbonylContact O-C 3.49Å; R108-A111 WeakPolarHBondContact O-CA 3.43Å; R108-A111 WeakPolarHBondContact O-CB 3.45Å; R108-A111 PolarHBondContact O-N 3.31Å; R108-A111 VanDerWaalsContact O-N 3.12Å; Y109-A111 PolarHBondContact O-N 3.2Å; A111-M113 VanDerWaalsContact C-N 3.27Å; A111-M113 HydrophobicContact CB-CE 3.92Å; A111-M113 PolarHBondContact O-N 2.96Å
112W98.1Very high97.7Very high96 Ų9646 Ų4636%0.36424%0.242SC..THydrogen-bonded Turntrans62.920.9-177.5-60.1103.1000116.2Y15 R108 Y109 A110 K129 L131Y15-W112 HydrophobicContact CD1-CB 3.67Å; Y15-W112 HydrophobicContact CE1-CB 4.02Å; Y15-W112 HydrophobicContact CE1-CG 4.44Å; R108-W112 PolarHBondContact O-N 3.27Å; Y109-W112 WeakPolarHBondContact O-CA 3.39Å; Y109-W112 PolarHBondContact O-N 3.21Å; A110-W112 VanDerWaalsContact C-N 3.31Å; W112-K129 HydrophobicContact CE3-CD 4.33Å; W112-K129 HydrophobicContact CH2-CB 4.33Å; W112-K129 HydrophobicContact CH2-CD 3.68Å; W112-K129 HydrophobicContact CZ2-CD 4.12Å; W112-K129 HydrophobicContact CZ3-CB 3.97Å; W112-K129 HydrophobicContact CZ3-CD 3.8Å; W112-L131 HydrophobicContact CE3-CD2 4.44Å
113M98.4Very high97.7Very high5 Ų544.3 Ų44.33%0.02524%0.235CC..  trans-95.198.5171.4-62.6-179.9-69.700109.5Y15 K18 K86 R108 A111Y15-M113 WeakPolarHBondContact O-CA 3.46Å; K18-M113 HydrophobicContact CG-CE 4.02Å; K18-M113 HydrophobicContact CG-SD 4.22Å; K86-M113 HydrophobicContact CB-CE 4.07Å; K86-M113 HydrophobicContact CD-CE 3.79Å; K86-M113 HydrophobicContact CG-CE 4.21Å; R108-M113 CarbonylContact C-O 3.6Å; R108-M113 HydrophobicContact CB-CB 4.26Å; R108-M113 HydrophobicContact CB-CE 4.41Å; R108-M113 HydrophobicContact CG-CE 4.19Å; R108-M113 WeakPolarHBondContact O-CB 3.24Å; R108-M113 PolarHBondContact O-N 2.85Å; A111-M113 VanDerWaalsContact C-N 3.27Å; A111-M113 HydrophobicContact CB-CE 3.92Å; A111-M113 PolarHBondContact O-N 2.96Å
114I98.5Very high97.8Very high2 Ų245.9 Ų45.91%0.0125%0.245CC..  trans-85.1-15.3-170.862.9167.9000115.3Y109 T124 V125 P127 L131Y109-I114 HydrophobicContact CD2-CG2 4.16Å; Y109-I114 HydrophobicContact CE2-CG2 4.2Å; I114-T124 WeakPolarHBondContact O-CA 2.95Å; I114-V125 WeakPolarHBondContact CB-O 3.34Å; I114-V125 PolarHBondContact O-N 3.29Å; I114-P127 HydrophobicContact CD1-CG 4.22Å; I114-P127 HydrophobicContact CG2-CB 3.93Å; I114-P127 HydrophobicContact CG2-CG 4.5Å; I114-L131 HydrophobicContact CD1-CD1 4.06Å; I114-L131 HydrophobicContact CG1-CD1 4.34Å; I114-L131 HydrophobicContact CG2-CD1 3.99Å
115Y98.6Very high97.8Very high4 Ų447.7 Ų47.72%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-106.4136.4179.5-61.5-72.3000110.4R108 V123 T124 V133 Y134 P152 H153 I154R108-Y115 PolarHBondContact NE-O 2.9Å; R108-Y115 PolarHBondContact NH2-O 3.48Å; Y115-V123 WeakPolarHBondContact CA-O 3.35Å; Y115-T124 HydrophobicContact CD1-CG2 3.87Å; Y115-T124 WeakPolarHBondContact CD1-OG1 3.4Å; Y115-T124 HydrophobicContact CE1-CG2 3.45Å; Y115-T124 VanDerWaalsContact CE1-CG2 3.45Å; Y115-T124 VanDerWaalsContact CE1-OG1 3.31Å; Y115-T124 WeakPolarHBondContact CE1-OG1 3.36Å; Y115-V133 HydrophobicContact CE2-CG2 4.48Å; Y115-Y134 WeakPolarHBondContact OH-CE1 3.27Å; Y115-Y134 PolarHBondContact OH-OH 3.47Å; Y115-P152 VanDerWaalsContact CB-O 3.25Å; Y115-P152 WeakPolarHBondContact CB-O 3.48Å; Y115-P152 WeakPolarHBondContact O-CB 3.5Å; Y115-H153 HydrophobicContact CD2-CB 4.49Å; Y115-H153 AromaticContact CD2-CD2 3.41Å; Y115-H153 VanDerWaalsContact CD2-CD2 3.41Å; Y115-H153 WeakPolarHBondContact CD2-CD2 3.43Å; Y115-H153 AromaticContact CE2-CD2 3.2Å; Y115-H153 WeakPolarHBondContact CE2-CD2 3.47Å; Y115-H153 AromaticContact CE2-NE2 3.37Å; Y115-H153 WeakPolarHBondContact CE2-NE2 3.36Å; Y115-I154 HydrophobicContact CE1-CB 3.94Å; Y115-I154 HydrophobicContact CE1-CG2 4.23Å
116T98.6Very high97.7Very high2 Ų248.2 Ų48.21%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-148.1135.6177.6-51.40000108.7M90 L105 R108 V123M90-T116 HydrophobicContact CE-CG2 4.15Å; M90-T116 HydrophobicContact CG-CG2 3.94Å; M90-T116 HydrophobicContact SD-CG2 4.07Å; L105-T116 HydrophobicContact CD2-CG2 4.1Å; R108-T116 VanDerWaalsContact CD-OG1 3.32Å; R108-T116 WeakPolarHBondContact CD-OG1 3.18Å; R108-T116 PolarHBondContact NE-OG1 3.1Å; T116-V123 PolarHBondContact N-O 2.96Å; T116-V123 WeakPolarHBondContact O-CA 3.3Å; T116-V123 WeakPolarHBondContact O-CB 3.35Å; T116-V123 PolarHBondContact O-N 3.4Å
117Y98.6Very high97.6Very high6 Ų644.2 Ų44.22%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-83152.3172.4-60.8-52000111.7E88 D89 M90 F121 C122 R147 P152 H153 S156 I157E88-Y117 WeakPolarHBondContact O-CA 3.41Å; E88-Y117 WeakPolarHBondContact O-CB 3.43Å; E88-Y117 PolarHBondContact O-N 3.03Å; D89-Y117 WeakPolarHBondContact CA-O 3.46Å; M90-Y117 PolarHBondContact N-O 3.42Å; Y117-F121 CarbonylContact C-O 3.55Å; Y117-F121 VanDerWaalsContact CA-O 3.29Å; Y117-F121 WeakPolarHBondContact CA-O 3.26Å; Y117-C122 HydrophobicContact CD1-CB 4.04Å; Y117-C122 HydrophobicContact CE1-CB 4.02Å; Y117-R147 HydrophobicContact CD2-CG 4.16Å; Y117-R147 HydrophobicContact CE1-CG 4.23Å; Y117-R147 HydrophobicContact CE2-CG 3.43Å; Y117-R147 VanDerWaalsContact CE2-CG 3.43Å; Y117-R147 VanDerWaalsContact CZ-CG 3.49Å; Y117-P152 HydrophobicContact CD1-CB 4.48Å; Y117-P152 HydrophobicContact CD2-CB 3.94Å; Y117-P152 HydrophobicContact CD2-CG 3.76Å; Y117-P152 HydrophobicContact CE1-CB 4.32Å; Y117-P152 VanDerWaalsContact CE2-CA 3.48Å; Y117-P152 HydrophobicContact CE2-CB 3.8Å; Y117-P152 HydrophobicContact CE2-CG 3.86Å; Y117-P152 HydrophobicContact CG-CB 4.28Å; Y117-P152 HydrophobicContact CG-CG 4.38Å; Y117-P152 VanDerWaalsContact CZ-CA 3.5Å; Y117-H153 PolarHBondContact OH-N 3.09Å; Y117-S156 WeakPolarHBondContact OH-CB 3.41Å; Y117-S156 PolarHBondContact OH-OG 3.07Å; Y117-I157 HydrophobicContact CE1-CD1 4.08Å
118S97.3Very high97.5Very high33 Ų3350.4 Ų50.423%0.23127%0.267CS..EExtended strand (participates in β ladder)trans-141.985.2169.7-174.30000108L120 F121S118-L120 PolarHBondContact O-N 3.14Å; S118-F121 PolarHBondContact N-O 3.29Å; S118-F121 WeakPolarHBondContact O-CD2 3.5Å; S118-F121 PolarHBondContact O-N 2.89Å; S118-F121 VanDerWaalsContact O-N 3.09Å
119G95.3Very high97.3Very high26 Ų2655.2 Ų55.227%0.26829%0.288SS..THydrogen-bonded Turntrans60.7-123.4-171.300000109.4D89 F121 R147D89-G119 PolarHBondContact OD1-N 2.89Å; G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.12Å; G119-R147 PolarHBondContact O-NH1 3.05Å; G119-R147 PolarHBondContact O-NH2 3.38Å
120L94.4Very high97.2Very high161 Ų16161 Ų6184%0.84331%0.31SS*.THydrogen-bonded Turntrans-71.1-19.5179.2-61.4177.1000113.9S118S118-L120 PolarHBondContact O-N 3.14Å
121F96.8Very high97.2Very high150 Ų15057.6 Ų57.666%0.65828%0.28SS*.EExtended strand (participates in β ladder)trans-81143.9-174.3-58.6-70.9000112.5Y117 S118 G119Y117-F121 CarbonylContact C-O 3.55Å; Y117-F121 VanDerWaalsContact CA-O 3.29Å; Y117-F121 WeakPolarHBondContact CA-O 3.26Å; S118-F121 PolarHBondContact N-O 3.29Å; S118-F121 WeakPolarHBondContact O-CD2 3.5Å; S118-F121 PolarHBondContact O-N 2.89Å; S118-F121 VanDerWaalsContact O-N 3.09Å; G119-F121 VanDerWaalsContact C-N 3.26Å; G119-F121 PolarHBondContact O-N 3.12Å
122C98.1Very high97.2Very high38 Ų3857.3 Ų57.326%0.25728%0.277SS..EExtended strand (participates in β ladder)trans-107.1101.8163.3-173.20000108.8Y117 I157Y117-C122 HydrophobicContact CD1-CB 4.04Å; Y117-C122 HydrophobicContact CE1-CB 4.02Å; C122-I157 HydrophobicContact CB-CD1 3.92Å; C122-I157 HydrophobicContact CB-CG1 3.7Å
123V98.4Very high97.1Very high42 Ų4252.8 Ų52.826%0.25526%0.26SS..EExtended strand (participates in β ladder)trans-78.6129.9178.1-174.20000108.6M90 L105 Y115 T116M90-V123 HydrophobicContact CE-CG2 4.32Å; L105-V123 HydrophobicContact CD1-CG1 4.17Å; L105-V123 HydrophobicContact CD2-CB 4.21Å; L105-V123 HydrophobicContact CD2-CG1 3.83Å; Y115-V123 WeakPolarHBondContact CA-O 3.35Å; T116-V123 PolarHBondContact N-O 2.96Å; T116-V123 WeakPolarHBondContact O-CA 3.3Å; T116-V123 WeakPolarHBondContact O-CB 3.35Å; T116-V123 PolarHBondContact O-N 3.4Å
124T98.4Very high97Very high42 Ų4254.7 Ų54.726%0.25827%0.267SS..EExtended strand (participates in β ladder)trans-123125177.3-52.60000109.7I114 Y115I114-T124 WeakPolarHBondContact O-CA 2.95Å; Y115-T124 HydrophobicContact CD1-CG2 3.87Å; Y115-T124 WeakPolarHBondContact CD1-OG1 3.4Å; Y115-T124 HydrophobicContact CE1-CG2 3.45Å; Y115-T124 VanDerWaalsContact CE1-CG2 3.45Å; Y115-T124 VanDerWaalsContact CE1-OG1 3.31Å; Y115-T124 WeakPolarHBondContact CE1-OG1 3.36Å
125V98.3Very high96.8Very high46 Ų4657 Ų5728%0.27928%0.28SS..  trans-101.7129.2174.6-171.70000109.2Y109 I114 P127Y109-V125 HydrophobicContact CD2-CB 3.66Å; Y109-V125 HydrophobicContact CD2-CG1 3.39Å; Y109-V125 HydrophobicContact CD2-CG2 4.49Å; Y109-V125 HydrophobicContact CE2-CB 4.03Å; Y109-V125 HydrophobicContact CE2-CG1 3.49Å; Y109-V125 VanDerWaalsContact CE2-CG1 3.49Å; Y109-V125 HydrophobicContact CG-CB 4.41Å; Y109-V125 HydrophobicContact CG-CG1 3.94Å; I114-V125 WeakPolarHBondContact CB-O 3.34Å; I114-V125 PolarHBondContact O-N 3.29Å; V125-P127 WeakPolarHBondContact O-CD 3.26Å
126N96.7Very high96.5Very high44 Ų4462.4 Ų62.424%0.23531%0.305CS..  trans-63.9117.9-178.8-176.5-8.2000110.5Y109 Y128 G181Y109-N126 PolarHBondContact OH-O 2.93Å; Y109-N126 VanDerWaalsContact OH-O 3.07Å; N126-Y128 VanDerWaalsContact C-N 3.31Å; N126-Y128 HydrophobicContact CB-CE2 4.32Å; N126-Y128 WeakPolarHBondContact O-CD2 3.46Å; N126-Y128 PolarHBondContact O-N 2.92Å; N126-Y128 PolarHBondContact OD1-N 2.99Å; N126-G181 PolarHBondContact ND2-O 3.21Å; N126-G181 VanDerWaalsContact ND2-O 3.1Å
127P96.6Very high96.3Very high21 Ų2166.1 Ų66.114%0.13632%0.322CS..  trans-71.3-19.8-17524.7-32.5000114.9I114 V125 K129 L131I114-P127 HydrophobicContact CD1-CG 4.22Å; I114-P127 HydrophobicContact CG2-CB 3.93Å; I114-P127 HydrophobicContact CG2-CG 4.5Å; V125-P127 WeakPolarHBondContact O-CD 3.26Å; P127-K129 HydrophobicContact CB-CB 4.45Å; P127-K129 WeakPolarHBondContact CG-O 3.47Å; P127-K129 PolarHBondContact O-N 2.95Å; P127-L131 HydrophobicContact CB-CD1 3.92Å; P127-L131 HydrophobicContact CB-CG 4.29Å; P127-L131 HydrophobicContact CG-CD1 4.27Å
128Y94.5Very high96.2Very high179 Ų17965.8 Ų65.870%0.70232%0.321SS*.SBendtrans48.522.8-166.3-61.5-72.4000114.2N126N126-Y128 VanDerWaalsContact C-N 3.31Å; N126-Y128 HydrophobicContact CB-CE2 4.32Å; N126-Y128 WeakPolarHBondContact O-CD2 3.46Å; N126-Y128 PolarHBondContact O-N 2.92Å; N126-Y128 PolarHBondContact OD1-N 2.99Å
129K94.9Very high96.1Very high106 Ų10664.7 Ų64.746%0.46131%0.313SS..SBendtrans-149.8144.8-175-173.2179176.7-1790109.1W112 P127W112-K129 HydrophobicContact CE3-CD 4.33Å; W112-K129 HydrophobicContact CH2-CB 4.33Å; W112-K129 HydrophobicContact CH2-CD 3.68Å; W112-K129 HydrophobicContact CZ2-CD 4.12Å; W112-K129 HydrophobicContact CZ3-CB 3.97Å; W112-K129 HydrophobicContact CZ3-CD 3.8Å; P127-K129 HydrophobicContact CB-CB 4.45Å; P127-K129 WeakPolarHBondContact CG-O 3.47Å; P127-K129 PolarHBondContact O-N 2.95Å
130W95.8Very high96Very high187 Ų18768.1 Ų68.171%0.70833%0.329SS*.  trans-69.7130.5171-175.292.9000110.4P132W130-P132 HydrophobicContact CH2-CB 3.88Å; W130-P132 HydrophobicContact CZ3-CB 4.02Å
131L97.5Very high96.1Very high3 Ų361 Ų612%0.01629%0.293CS..  trans-125.1143178-59.9-179000109.9Y15 W112 I114 P127 V133Y15-L131 HydrophobicContact CD1-CD2 3.72Å; Y15-L131 HydrophobicContact CE1-CD2 3.68Å; W112-L131 HydrophobicContact CE3-CD2 4.44Å; I114-L131 HydrophobicContact CD1-CD1 4.06Å; I114-L131 HydrophobicContact CG1-CD1 4.34Å; I114-L131 HydrophobicContact CG2-CD1 3.99Å; P127-L131 HydrophobicContact CB-CD1 3.92Å; P127-L131 HydrophobicContact CB-CG 4.29Å; P127-L131 HydrophobicContact CG-CD1 4.27Å; L131-V133 HydrophobicContact CB-CG1 4.28Å; L131-V133 HydrophobicContact CB-CG2 3.99Å; L131-V133 PolarHBondContact O-N 2.79Å
132P97.1Very high96.1Very high10 Ų1053.8 Ų53.87%0.06526%0.261CS..G310 helixtrans-74.48.8179.931.3-35.6000114A11 Y15 W130 Y134 N135A11-P132 HydrophobicContact CB-CB 4.35Å; A11-P132 HydrophobicContact CB-CG 4.36Å; A11-P132 WeakPolarHBondContact O-CG 2.95Å; Y15-P132 HydrophobicContact CD2-CG 3.8Å; Y15-P132 HydrophobicContact CE2-CG 3.59Å; W130-P132 HydrophobicContact CH2-CB 3.88Å; W130-P132 HydrophobicContact CZ3-CB 4.02Å; P132-Y134 PolarHBondContact O-N 2.7Å; P132-Y134 VanDerWaalsContact O-N 3.13Å; P132-N135 WeakPolarHBondContact O-CB 2.82Å; P132-N135 PolarHBondContact O-N 3.35Å; P132-N135 PolarHBondContact O-ND2 3.09Å
133V97.5Very high96Very high1 Ų159.5 Ų59.51%0.00628%0.277CS..G310 helixtrans-70.2-6.1-175.9-58.20000114.5A12 Y15 L16 Y115 L131 V138 H153A12-V133 HydrophobicContact CB-CG1 4.17Å; Y15-V133 HydrophobicContact CG-CG1 4.4Å; L16-V133 HydrophobicContact CD2-CB 4.34Å; L16-V133 HydrophobicContact CD2-CG1 3.99Å; L16-V133 HydrophobicContact CG-CG1 4.32Å; Y115-V133 HydrophobicContact CE2-CG2 4.48Å; L131-V133 HydrophobicContact CB-CG1 4.28Å; L131-V133 HydrophobicContact CB-CG2 3.99Å; L131-V133 PolarHBondContact O-N 2.79Å; V133-V138 WeakPolarHBondContact O-CG1 3.4Å; V133-H153 PolarHBondContact O-NE2 2.6Å
134Y96.3Very high95.8Very high45 Ų4559.8 Ų59.818%0.17629%0.288CS..G310 helixtrans-108.110178.8-52.1-70.1000113.3Y115 P132 F155 R190Y115-Y134 WeakPolarHBondContact OH-CE1 3.27Å; Y115-Y134 PolarHBondContact OH-OH 3.47Å; P132-Y134 PolarHBondContact O-N 2.7Å; P132-Y134 VanDerWaalsContact O-N 3.13Å; Y134-F155 HydrophobicContact CD1-CZ 4.13Å; Y134-R190 HydrophobicContact CD1-CG 3.94Å; Y134-R190 HydrophobicContact CE1-CG 3.81Å
135N94.3Very high95.6Very high52 Ų5260.1 Ų60.128%0.27829%0.286SS..SBendtrans-65.9157.5178.7-72-4.1000111.7P132 E137 V138 V139P132-N135 WeakPolarHBondContact O-CB 2.82Å; P132-N135 PolarHBondContact O-N 3.35Å; P132-N135 PolarHBondContact O-ND2 3.09Å; N135-E137 HydrophobicContact CB-CG 3.85Å; N135-E137 PolarHBondContact ND2-OE1 3.49Å; N135-E137 PolarHBondContact O-N 3.02Å; N135-V138 HydrophobicContact CB-CG2 4.43Å; N135-V138 WeakPolarHBondContact O-CB 3.38Å; N135-V138 PolarHBondContact O-N 3.38Å; N135-V139 PolarHBondContact O-N 3.33Å
136Q92.1Very high95.5Very high117 Ų11764.2 Ų64.255%0.54730%0.3SS..Hα-helixtrans-60.3-34.4179.5-167.762.82500112.7V138 V139 V140 S197Q136-V138 VanDerWaalsContact C-N 3.26Å; Q136-V138 PolarHBondContact O-N 3.49Å; Q136-V139 WeakPolarHBondContact O-CB 3.4Å; Q136-V139 PolarHBondContact O-N 2.94Å; Q136-V140 WeakPolarHBondContact O-CG2 3.39Å; Q136-V140 PolarHBondContact O-N 3.23Å; Q136-S197 PolarHBondContact NE2-OG 3.22Å; Q136-S197 VanDerWaalsContact NE2-OG 3.16Å
137E94.1Very high95.3Very high79 Ų7965.1 Ų65.137%0.36930%0.3SS..Hα-helixtrans-57.2-39.8174.167.5-162.2161.300111.9N135 V140 A141N135-E137 HydrophobicContact CB-CG 3.85Å; N135-E137 PolarHBondContact ND2-OE1 3.49Å; N135-E137 PolarHBondContact O-N 3.02Å; E137-V140 PolarHBondContact O-N 3.43Å; E137-A141 WeakPolarHBondContact O-CB 3.28Å; E137-A141 PolarHBondContact O-N 3.38Å
138V96.6Very high95.1Very high0 Ų069.2 Ų69.20%033%0.33CS..Hα-helixtrans-70.7-39.5178.1-175.20000110.7Y9 A12 L16 V133 N135 Q136 V140 A141 Y142 F155Y9-V138 HydrophobicContact CD1-CG1 4.28Å; A12-V138 HydrophobicContact CB-CG2 3.47Å; A12-V138 VanDerWaalsContact CB-CG2 3.47Å; L16-V138 HydrophobicContact CD1-CG1 4.42Å; V133-V138 WeakPolarHBondContact O-CG1 3.4Å; N135-V138 HydrophobicContact CB-CG2 4.43Å; N135-V138 WeakPolarHBondContact O-CB 3.38Å; N135-V138 PolarHBondContact O-N 3.38Å; Q136-V138 VanDerWaalsContact C-N 3.26Å; Q136-V138 PolarHBondContact O-N 3.49Å; V138-V140 VanDerWaalsContact C-N 3.31Å; V138-V140 PolarHBondContact O-N 3.14Å; V138-A141 PolarHBondContact O-N 2.97Å; V138-Y142 HydrophobicContact CG1-CD2 3.63Å; V138-Y142 HydrophobicContact CG1-CE2 3.7Å; V138-Y142 WeakPolarHBondContact O-CD2 3.47Å; V138-Y142 PolarHBondContact O-N 3.1Å; V138-F155 HydrophobicContact CG1-CD2 4.12Å; V138-F155 HydrophobicContact CG1-CE2 4.29Å
139V94.6Very high95.1Very high10 Ų1064.9 Ų64.96%0.06132%0.316CS..Hα-helixtrans-56.3-48.4173.7174.90000110.4N135 Q136 A141 Y142 R143 F155 Y194N135-V139 PolarHBondContact O-N 3.33Å; Q136-V139 WeakPolarHBondContact O-CB 3.4Å; Q136-V139 PolarHBondContact O-N 2.94Å; V139-A141 VanDerWaalsContact C-N 3.35Å; V139-A141 PolarHBondContact O-N 3.29Å; V139-Y142 PolarHBondContact O-N 2.84Å; V139-R143 PolarHBondContact O-N 2.98Å; V139-F155 HydrophobicContact CG2-CD2 4.15Å; V139-F155 HydrophobicContact CG2-CE2 3.53Å; V139-F155 HydrophobicContact CG2-CZ 3.87Å; V139-Y194 HydrophobicContact CB-CE2 4.32Å; V139-Y194 HydrophobicContact CG1-CD2 3.94Å; V139-Y194 HydrophobicContact CG1-CE2 3.72Å; V139-Y194 HydrophobicContact CG2-CD2 4.29Å
140V94.1Very high95.1Very high98 Ų9859.9 Ų59.959%0.59429%0.294SS*.Hα-helixtrans-63.6-41.8177.6175.40000111.1Q136 E137 V138 Y142 R143Q136-V140 WeakPolarHBondContact O-CG2 3.39Å; Q136-V140 PolarHBondContact O-N 3.23Å; E137-V140 PolarHBondContact O-N 3.43Å; V138-V140 VanDerWaalsContact C-N 3.31Å; V138-V140 PolarHBondContact O-N 3.14Å; V140-Y142 VanDerWaalsContact C-N 3.3Å; V140-Y142 PolarHBondContact O-N 3.25Å; V140-R143 WeakPolarHBondContact O-CB 3.33Å; V140-R143 PolarHBondContact O-N 2.77Å
141A95.8Very high95.2Very high10 Ų1051 Ų518%0.08326%0.261CS..Hα-helixtrans-67.2-25.5-178.500000114Y9 E137 V138 V139 K145Y9-A141 HydrophobicContact CD1-CB 3.56Å; Y9-A141 HydrophobicContact CE1-CB 3.48Å; Y9-A141 VanDerWaalsContact CE1-CB 3.48Å; Y9-A141 HydrophobicContact CG-CB 4.37Å; E137-A141 WeakPolarHBondContact O-CB 3.28Å; E137-A141 PolarHBondContact O-N 3.38Å; V138-A141 PolarHBondContact O-N 2.97Å; V139-A141 VanDerWaalsContact C-N 3.35Å; V139-A141 PolarHBondContact O-N 3.29Å; A141-K145 WeakPolarHBondContact O-CD 3.18Å; A141-K145 WeakPolarHBondContact O-CE 3.31Å; A141-K145 PolarHBondContact O-NZ 2.85Å
142Y97Very high95.2Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-88.9-15.4176-88.5-85.4000114Y9 L16 V138 V139 V140 G144 K145 A150 P151 H153 F155Y9-Y142 HydrophobicContact CD1-CD2 4.33Å; Y9-Y142 AromaticContact CD1-CE2 3.92Å; Y9-Y142 HydrophobicContact CD1-CE2 3.92Å; Y9-Y142 AromaticContact CE1-CD2 3.69Å; Y9-Y142 HydrophobicContact CE1-CD2 3.69Å; Y9-Y142 AromaticContact CE1-CE2 3.36Å; Y9-Y142 HydrophobicContact CE1-CE2 3.36Å; Y9-Y142 AromaticContact CE1-CZ 3.96Å; L16-Y142 HydrophobicContact CD1-CE2 4.17Å; V138-Y142 HydrophobicContact CG1-CD2 3.63Å; V138-Y142 HydrophobicContact CG1-CE2 3.7Å; V138-Y142 WeakPolarHBondContact O-CD2 3.47Å; V138-Y142 PolarHBondContact O-N 3.1Å; V139-Y142 PolarHBondContact O-N 2.84Å; V140-Y142 VanDerWaalsContact C-N 3.3Å; V140-Y142 PolarHBondContact O-N 3.25Å; Y142-G144 PolarHBondContact O-N 3.36Å; Y142-K145 PolarHBondContact O-N 3.29Å; Y142-A150 HydrophobicContact CD1-CB 3.85Å; Y142-A150 HydrophobicContact CE1-CB 3.41Å; Y142-A150 VanDerWaalsContact CE1-CB 3.41Å; Y142-P151 WeakPolarHBondContact CE1-O 3.32Å; Y142-P151 PolarHBondContact OH-O 2.82Å; Y142-H153 HydrophobicContact CD1-CB 4.4Å; Y142-H153 HydrophobicContact CE1-CB 3.59Å; Y142-H153 HydrophobicContact CE2-CB 3.85Å; Y142-H153 AromaticContact CE2-CG 3.96Å; Y142-H153 AromaticContact CZ-CG 3.94Å; Y142-H153 VanDerWaalsContact OH-CB 3.29Å; Y142-H153 WeakPolarHBondContact OH-CB 3.43Å; Y142-F155 HydrophobicContact CD1-CB 4.42Å; Y142-F155 HydrophobicContact CD2-CB 4.3Å; Y142-F155 HydrophobicContact CD2-CD2 4.46Å; Y142-F155 HydrophobicContact CG-CB 3.96Å
143R95Very high95.3Very high158 Ų15850.5 Ų50.560%0.59626%0.257SS*.THydrogen-bonded Turntrans-62.6125.6-173.8-170.9-179.5-175.8178.53.8112V139 V140 K145 D159V139-R143 PolarHBondContact O-N 2.98Å; V140-R143 WeakPolarHBondContact O-CB 3.33Å; V140-R143 PolarHBondContact O-N 2.77Å; R143-K145 PolarHBondContact O-N 2.83Å; R143-D159 WeakPolarHBondContact CA-OD1 3.45Å
144G94Very high95.3Very high47 Ų4751 Ų5149%0.48526%0.26SS..THydrogen-bonded Turntrans71.57.2177.100000114.6Y142 D159Y142-G144 PolarHBondContact O-N 3.36Å; G144-D159 VanDerWaalsContact CA-OD2 3.3Å; G144-D159 WeakPolarHBondContact CA-OD2 3.26Å; G144-D159 PolarHBondContact N-OD1 3.14Å; G144-D159 PolarHBondContact N-OD2 3.12Å
145K95.6Very high95.4Very high49 Ų4949.1 Ų49.121%0.21325%0.253CS..  trans-88.6134.2178.6-69.8-169.2-178.8161.90111.1Y9 A141 Y142 R143 E149 A150 N160Y9-K145 PolarHBondContact OH-NZ 3.12Å; A141-K145 WeakPolarHBondContact O-CD 3.18Å; A141-K145 WeakPolarHBondContact O-CE 3.31Å; A141-K145 PolarHBondContact O-NZ 2.85Å; Y142-K145 PolarHBondContact O-N 3.29Å; R143-K145 PolarHBondContact O-N 2.83Å; K145-E149 HydrophobicContact CB-CB 4.32Å; K145-A150 HydrophobicContact CB-CB 4.41Å; K145-A150 HydrophobicContact CD-CB 4.11Å; K145-N160 PolarHBondContact O-ND2 3.5Å
146K94.6Very high95.6Very high132 Ų13246.7 Ų46.757%0.57424%0.24SC*.  trans-65.7155.1167.7-63.2-179.2-179.7176.20109.7S148 E149K146-S148 PolarHBondContact O-N 3.43Å; K146-S148 VanDerWaalsContact O-N 3.12Å; K146-E149 HydrophobicContact CB-CG 4.06Å; K146-E149 PolarHBondContact N-OE2 3.29Å; K146-E149 WeakPolarHBondContact O-CB 3.41Å; K146-E149 PolarHBondContact O-N 3.06Å
147R93.3Very high95.9Very high63 Ų6343.1 Ų43.124%0.23822%0.224CC..G310 helixtrans-53.1-35.5179.1-167.9179.5119172.92.8114.4D89 Y117 G119 E149 A150D89-R147 IonicContact OD1-NH2 2.64Å; D89-R147 IonicContact OD2-CZ 3.14Å; D89-R147 IonicContact OD2-NH2 2.95Å; D89-R147 PolarHBondContact OD2-NH2 2.96Å; Y117-R147 HydrophobicContact CD2-CG 4.16Å; Y117-R147 HydrophobicContact CE1-CG 4.23Å; Y117-R147 HydrophobicContact CE2-CG 3.43Å; Y117-R147 VanDerWaalsContact CE2-CG 3.43Å; Y117-R147 VanDerWaalsContact CZ-CG 3.49Å; G119-R147 PolarHBondContact O-NH1 3.05Å; G119-R147 PolarHBondContact O-NH2 3.38Å; R147-E149 VanDerWaalsContact C-N 3.29Å; R147-E149 PolarHBondContact O-N 3.33Å; R147-A150 VanDerWaalsContact O-O 3.05Å
148S92.2Very high96Very high108 Ų10839.4 Ų39.476%0.75521%0.207SC*.G310 helixtrans-75.2-16.9178.653.50000114.1K146K146-S148 PolarHBondContact O-N 3.43Å; K146-S148 VanDerWaalsContact O-N 3.12Å
149E93.9Very high96Very high88 Ų8839.4 Ų39.441%0.41121%0.207SC..G310 helixtrans-93-2.7-175.3-62.3168171.500112.2M1 K145 K146 R147M1-E149 WeakPolarHBondContact CE-O 3.39Å; K145-E149 HydrophobicContact CB-CB 4.32Å; K146-E149 HydrophobicContact CB-CG 4.06Å; K146-E149 PolarHBondContact N-OE2 3.29Å; K146-E149 WeakPolarHBondContact O-CB 3.41Å; K146-E149 PolarHBondContact O-N 3.06Å; R147-E149 VanDerWaalsContact C-N 3.29Å; R147-E149 PolarHBondContact O-N 3.33Å
150A95.5Very high96.1Very high1 Ų139.7 Ų39.71%0.00821%0.208CC..SBendtrans-142.2153.7-179.200000111.3Y9 Y142 K145 R147Y9-A150 WeakPolarHBondContact OH-CB 3.41Å; Y142-A150 HydrophobicContact CD1-CB 3.85Å; Y142-A150 HydrophobicContact CE1-CB 3.41Å; Y142-A150 VanDerWaalsContact CE1-CB 3.41Å; K145-A150 HydrophobicContact CB-CB 4.41Å; K145-A150 HydrophobicContact CD-CB 4.11Å; R147-A150 VanDerWaalsContact O-O 3.05Å
151P97.4Very high96.3Very high0 Ų035.6 Ų35.60%018%0.184CC..  trans-59.3162.3173-1727000112.3M6 Y9 L16 R17 Y142 H153M6-P151 HydrophobicContact CE-CG 3.97Å; M6-P151 HydrophobicContact SD-CG 3.75Å; Y9-P151 HydrophobicContact CE2-CG 4.4Å; L16-P151 HydrophobicContact CB-CB 3.99Å; L16-P151 HydrophobicContact CB-CG 4.05Å; R17-P151 HydrophobicContact CB-CB 4.38Å; R17-P151 HydrophobicContact CB-CG 4.12Å; Y142-P151 WeakPolarHBondContact CE1-O 3.32Å; Y142-P151 PolarHBondContact OH-O 2.82Å; P151-H153 PolarHBondContact O-N 3.17Å
152P98.4Very high96.3Very high2 Ų236.4 Ų36.41%0.01319%0.185CC..SBendtrans-55.1127.1175.8-25.233.5000113.1E88 Y115 Y117E88-P152 HydrophobicContact CB-CG 3.62Å; E88-P152 HydrophobicContact CG-CG 4Å; E88-P152 WeakPolarHBondContact O-CG 3.48Å; Y115-P152 VanDerWaalsContact CB-O 3.25Å; Y115-P152 WeakPolarHBondContact CB-O 3.48Å; Y115-P152 WeakPolarHBondContact O-CB 3.5Å; Y117-P152 HydrophobicContact CD1-CB 4.48Å; Y117-P152 HydrophobicContact CD2-CB 3.94Å; Y117-P152 HydrophobicContact CD2-CG 3.76Å; Y117-P152 HydrophobicContact CE1-CB 4.32Å; Y117-P152 VanDerWaalsContact CE2-CA 3.48Å; Y117-P152 HydrophobicContact CE2-CB 3.8Å; Y117-P152 HydrophobicContact CE2-CG 3.86Å; Y117-P152 HydrophobicContact CG-CB 4.28Å; Y117-P152 HydrophobicContact CG-CG 4.38Å; Y117-P152 VanDerWaalsContact CZ-CA 3.5Å
153H98.5Very high96.3Very high0 Ų040 Ų400%020%0.202CC..  trans-164150.9176.4-160.8-101.8000112.1Y115 Y117 V133 Y142 P151 F155 S156Y115-H153 HydrophobicContact CD2-CB 4.49Å; Y115-H153 AromaticContact CD2-CD2 3.41Å; Y115-H153 VanDerWaalsContact CD2-CD2 3.41Å; Y115-H153 WeakPolarHBondContact CD2-CD2 3.43Å; Y115-H153 AromaticContact CE2-CD2 3.2Å; Y115-H153 WeakPolarHBondContact CE2-CD2 3.47Å; Y115-H153 AromaticContact CE2-NE2 3.37Å; Y115-H153 WeakPolarHBondContact CE2-NE2 3.36Å; Y117-H153 PolarHBondContact OH-N 3.09Å; V133-H153 PolarHBondContact O-NE2 2.6Å; Y142-H153 HydrophobicContact CD1-CB 4.4Å; Y142-H153 HydrophobicContact CE1-CB 3.59Å; Y142-H153 HydrophobicContact CE2-CB 3.85Å; Y142-H153 AromaticContact CE2-CG 3.96Å; Y142-H153 AromaticContact CZ-CG 3.94Å; Y142-H153 VanDerWaalsContact OH-CB 3.29Å; Y142-H153 WeakPolarHBondContact OH-CB 3.43Å; P151-H153 PolarHBondContact O-N 3.17Å; H153-F155 AromaticContact CE1-CD1 3.94Å; H153-F155 AromaticContact CE1-CD2 3.28Å; H153-F155 WeakPolarHBondContact CE1-CD2 3.37Å; H153-F155 AromaticContact CE1-CE2 3.6Å; H153-F155 AromaticContact CE1-CG 3.46Å; H153-F155 VanDerWaalsContact CE1-CG 3.46Å; H153-F155 WeakPolarHBondContact CE1-CG 3.23Å; H153-F155 VanDerWaalsContact ND1-CB 3.3Å; H153-F155 WeakPolarHBondContact ND1-CB 3.24Å; H153-F155 AromaticContact ND1-CD1 3.99Å; H153-F155 AromaticContact ND1-CD2 3.41Å; H153-F155 WeakPolarHBondContact ND1-CD2 3.18Å; H153-F155 AromaticContact ND1-CG 3.27Å; H153-F155 VanDerWaalsContact ND1-CG 3.27Å; H153-F155 WeakPolarHBondContact ND1-CG 3.37Å; H153-F155 PolarHBondContact ND1-N 3.47Å; H153-F155 PolarHBondContact O-N 2.94Å; H153-S156 WeakPolarHBondContact O-CB 3.15Å; H153-S156 PolarHBondContact O-N 3.09Å
154I98.3Very high96.3Very high12 Ų1238.1 Ų38.16%0.06220%0.196CC..Hα-helixtrans-62.7-27176-165.6164.3000113.4Y115 S156 I157 S158 N187 V191Y115-I154 HydrophobicContact CE1-CB 3.94Å; Y115-I154 HydrophobicContact CE1-CG2 4.23Å; I154-S156 VanDerWaalsContact C-N 3.32Å; I154-I157 PolarHBondContact O-N 3.13Å; I154-S158 PolarHBondContact O-N 3.24Å; I154-S158 PolarHBondContact O-OG 3.02Å; I154-N187 HydrophobicContact CD1-CB 3.53Å; I154-N187 VanDerWaalsContact CD1-OD1 3.28Å; I154-N187 WeakPolarHBondContact CD1-OD1 3.44Å; I154-V191 HydrophobicContact CD1-CG2 3.63Å; I154-V191 HydrophobicContact CG1-CG2 3.74Å
155F98.1Very high96.4Very high6 Ų637.5 Ų37.53%0.02618%0.181CC..Hα-helixtrans-68.5-30.9173.9-64-19000112.3Y134 V138 V139 Y142 H153 I157 S158 D159 R190 Y194Y134-F155 HydrophobicContact CD1-CZ 4.13Å; V138-F155 HydrophobicContact CG1-CD2 4.12Å; V138-F155 HydrophobicContact CG1-CE2 4.29Å; V139-F155 HydrophobicContact CG2-CD2 4.15Å; V139-F155 HydrophobicContact CG2-CE2 3.53Å; V139-F155 HydrophobicContact CG2-CZ 3.87Å; Y142-F155 HydrophobicContact CD1-CB 4.42Å; Y142-F155 HydrophobicContact CD2-CB 4.3Å; Y142-F155 HydrophobicContact CD2-CD2 4.46Å; Y142-F155 HydrophobicContact CG-CB 3.96Å; H153-F155 AromaticContact CE1-CD1 3.94Å; H153-F155 AromaticContact CE1-CD2 3.28Å; H153-F155 WeakPolarHBondContact CE1-CD2 3.37Å; H153-F155 AromaticContact CE1-CE2 3.6Å; H153-F155 AromaticContact CE1-CG 3.46Å; H153-F155 VanDerWaalsContact CE1-CG 3.46Å; H153-F155 WeakPolarHBondContact CE1-CG 3.23Å; H153-F155 VanDerWaalsContact ND1-CB 3.3Å; H153-F155 WeakPolarHBondContact ND1-CB 3.24Å; H153-F155 AromaticContact ND1-CD1 3.99Å; H153-F155 AromaticContact ND1-CD2 3.41Å; H153-F155 WeakPolarHBondContact ND1-CD2 3.18Å; H153-F155 AromaticContact ND1-CG 3.27Å; H153-F155 VanDerWaalsContact ND1-CG 3.27Å; H153-F155 WeakPolarHBondContact ND1-CG 3.37Å; H153-F155 PolarHBondContact ND1-N 3.47Å; H153-F155 PolarHBondContact O-N 2.94Å; F155-I157 VanDerWaalsContact C-N 3.34Å; F155-S158 PolarHBondContact O-N 2.78Å; F155-D159 VanDerWaalsContact O-CB 3.23Å; F155-D159 WeakPolarHBondContact O-CB 3.2Å; F155-D159 PolarHBondContact O-N 2.92Å; F155-R190 HydrophobicContact CE1-CB 4.43Å; F155-Y194 HydrophobicContact CB-CD2 3.79Å; F155-Y194 HydrophobicContact CB-CE2 3.59Å; F155-Y194 AromaticContact CD1-CD2 3.32Å; F155-Y194 HydrophobicContact CD1-CD2 3.32Å; F155-Y194 HydrophobicContact CD1-CE2 4.06Å; F155-Y194 AromaticContact CD1-CG 3.88Å; F155-Y194 HydrophobicContact CD1-CG 3.88Å; F155-Y194 AromaticContact CD2-CD2 3.99Å; F155-Y194 HydrophobicContact CD2-CD2 3.99Å; F155-Y194 HydrophobicContact CD2-CE2 4.09Å; F155-Y194 AromaticContact CE1-CD2 3.82Å; F155-Y194 HydrophobicContact CE1-CD2 3.82Å; F155-Y194 HydrophobicContact CE1-CG 4.37Å; F155-Y194 HydrophobicContact CE2-CD2 4.43Å; F155-Y194 AromaticContact CG-CD2 3.43Å; F155-Y194 HydrophobicContact CG-CD2 3.43Å; F155-Y194 VanDerWaalsContact CG-CD2 3.43Å; F155-Y194 AromaticContact CG-CE2 3.67Å; F155-Y194 HydrophobicContact CG-CE2 3.67Å; F155-Y194 HydrophobicContact CG-CG 4.33Å; F155-Y194 HydrophobicContact CZ-CD2 4.35Å
156S97.9Very high96.4Very high1 Ų137.1 Ų37.11%0.00718%0.181CC..Hα-helixtrans-63.6-43172-179.10000110.8Y117 H153 I154 S158 D159 N160Y117-S156 WeakPolarHBondContact OH-CB 3.41Å; Y117-S156 PolarHBondContact OH-OG 3.07Å; H153-S156 WeakPolarHBondContact O-CB 3.15Å; H153-S156 PolarHBondContact O-N 3.09Å; I154-S156 VanDerWaalsContact C-N 3.32Å; S156-S158 PolarHBondContact O-N 3.01Å; S156-D159 PolarHBondContact O-N 3.02Å; S156-N160 VanDerWaalsContact O-CB 3.27Å; S156-N160 WeakPolarHBondContact O-CB 3.25Å; S156-N160 PolarHBondContact O-N 3.29Å; S156-N160 PolarHBondContact O-ND2 3.19Å; S156-N160 PolarHBondContact OG-ND2 3.39Å
157I98.1Very high96.4Very high42 Ų4234.3 Ų34.322%0.21518%0.182CC..Hα-helixtrans-61.3-45.3175.5-56.9-56.7000111.3Y117 C122 I154 F155 A161 I174Y117-I157 HydrophobicContact CE1-CD1 4.08Å; C122-I157 HydrophobicContact CB-CD1 3.92Å; C122-I157 HydrophobicContact CB-CG1 3.7Å; I154-I157 PolarHBondContact O-N 3.13Å; F155-I157 VanDerWaalsContact C-N 3.34Å; I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.5Å; I157-A161 PolarHBondContact O-N 2.87Å; I157-I174 HydrophobicContact CG2-CD1 4.23Å; I157-I174 HydrophobicContact CG2-CG1 4.31Å; I157-I174 HydrophobicContact CG2-CG2 4.3Å
158S97.2Very high96.6Very high0 Ų035.6 Ų35.60%019%0.194CC..Hα-helixtrans-65.9-46.5-179.5-50.50000111.5I154 F155 S156 A161 Y162 Y194 F195I154-S158 PolarHBondContact O-N 3.24Å; I154-S158 PolarHBondContact O-OG 3.02Å; F155-S158 PolarHBondContact O-N 2.78Å; S156-S158 PolarHBondContact O-N 3.01Å; S158-A161 PolarHBondContact O-N 2.84Å; S158-Y162 PolarHBondContact O-N 3.08Å; S158-Y194 VanDerWaalsContact CB-CD1 3.46Å; S158-F195 VanDerWaalsContact O-CE1 3.25Å; S158-F195 WeakPolarHBondContact O-CE1 3.08Å
159D97.1Very high96.7Very high1 Ų138.5 Ų38.51%0.00519%0.188CC..Hα-helixtrans-65.7-46.9-179.9-161.280.2000111.7R143 G144 F155 S156 A161 Y162 Q163 Y194R143-D159 WeakPolarHBondContact CA-OD1 3.45Å; G144-D159 VanDerWaalsContact CA-OD2 3.3Å; G144-D159 WeakPolarHBondContact CA-OD2 3.26Å; G144-D159 PolarHBondContact N-OD1 3.14Å; G144-D159 PolarHBondContact N-OD2 3.12Å; F155-D159 VanDerWaalsContact O-CB 3.23Å; F155-D159 WeakPolarHBondContact O-CB 3.2Å; F155-D159 PolarHBondContact O-N 2.92Å; S156-D159 PolarHBondContact O-N 3.02Å; D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.9Å; D159-Y162 CarbonylContact O-C 3.48Å; D159-Y162 WeakPolarHBondContact O-CB 3.46Å; D159-Y162 PolarHBondContact O-N 3.13Å; D159-Y162 VanDerWaalsContact O-N 3.08Å; D159-Q163 WeakPolarHBondContact O-CG 3.35Å; D159-Q163 PolarHBondContact O-N 3.38Å; D159-Y194 HydrophobicContact CB-CE1 3.72Å; D159-Y194 WeakPolarHBondContact CB-OH 3.36Å; D159-Y194 VanDerWaalsContact CG-OH 3.3Å; D159-Y194 PolarHBondContact OD1-OH 3.14Å
160N97.2Very high96.8Very high16 Ų1640.4 Ų40.49%0.08620%0.197CC..Hα-helixtrans-64.5-39.7-179.5-76.8-109.4000110.3K145 S156 Y162 Q163 Y164K145-N160 PolarHBondContact O-ND2 3.5Å; S156-N160 VanDerWaalsContact O-CB 3.27Å; S156-N160 WeakPolarHBondContact O-CB 3.25Å; S156-N160 PolarHBondContact O-N 3.29Å; S156-N160 PolarHBondContact O-ND2 3.19Å; S156-N160 PolarHBondContact OG-ND2 3.39Å; N160-Y162 PolarHBondContact O-N 3.28Å; N160-Q163 PolarHBondContact O-N 3.13Å; N160-Y164 HydrophobicContact CB-CD2 4.32Å; N160-Y164 HydrophobicContact CB-CE2 3.92Å; N160-Y164 WeakPolarHBondContact O-CB 3.25Å; N160-Y164 WeakPolarHBondContact O-CD2 3.33Å; N160-Y164 VanDerWaalsContact O-CG 3.26Å; N160-Y164 PolarHBondContact O-N 2.86Å
161A97.4Very high96.9Very high11 Ų1148.3 Ų48.39%0.09124%0.239CC..Hα-helixtrans-58.9-44.7171.500000112I157 S158 D159 Y164 M165 Q172 I174I157-A161 VanDerWaalsContact O-CB 3.31Å; I157-A161 WeakPolarHBondContact O-CB 3.5Å; I157-A161 PolarHBondContact O-N 2.87Å; S158-A161 PolarHBondContact O-N 2.84Å; D159-A161 VanDerWaalsContact C-N 3.32Å; D159-A161 PolarHBondContact O-N 2.9Å; A161-Y164 PolarHBondContact O-N 2.76Å; A161-M165 WeakPolarHBondContact O-CB 3.49Å; A161-M165 PolarHBondContact O-N 3.16Å; A161-Q172 HydrophobicContact CB-CB 4.31Å; A161-Q172 WeakPolarHBondContact O-CG 3.47Å; A161-I174 HydrophobicContact CB-CD1 4.19Å; A161-I174 HydrophobicContact CB-CG1 4.44Å
162Y96.1Very high96.9Very high27 Ų2752.2 Ų52.211%0.10626%0.258CS..Hα-helixtrans-63.3-42.6176-179.2-99.6000112.6S158 D159 N160 M165 L166 I198 F251 G255S158-Y162 PolarHBondContact O-N 3.08Å; D159-Y162 CarbonylContact O-C 3.48Å; D159-Y162 WeakPolarHBondContact O-CB 3.46Å; D159-Y162 PolarHBondContact O-N 3.13Å; D159-Y162 VanDerWaalsContact O-N 3.08Å; N160-Y162 PolarHBondContact O-N 3.28Å; Y162-M165 HydrophobicContact CD2-CE 3.78Å; Y162-M165 HydrophobicContact CE2-CE 3.86Å; Y162-M165 PolarHBondContact O-N 3.31Å; Y162-L166 HydrophobicContact CD1-CD1 4.06Å; Y162-L166 HydrophobicContact CE1-CD1 3.39Å; Y162-L166 HydrophobicContact CE1-CG 4.28Å; Y162-L166 HydrophobicContact CE2-CD1 4.36Å; Y162-L166 WeakPolarHBondContact O-CG 3.42Å; Y162-L166 PolarHBondContact O-N 3.1Å; Y162-I198 HydrophobicContact CD1-CD1 3.64Å; Y162-I198 HydrophobicContact CD2-CD1 3.99Å; Y162-I198 HydrophobicContact CE1-CD1 4.1Å; Y162-I198 HydrophobicContact CE2-CD1 4.42Å; Y162-I198 HydrophobicContact CG-CD1 3.57Å; Y162-F251 HydrophobicContact CD2-CE1 4.11Å; Y162-F251 HydrophobicContact CD2-CZ 4.28Å; Y162-F251 AromaticContact CE2-CD1 3.97Å; Y162-F251 HydrophobicContact CE2-CD1 3.97Å; Y162-F251 AromaticContact CE2-CE1 3.85Å; Y162-F251 HydrophobicContact CE2-CE1 3.85Å; Y162-F251 HydrophobicContact CE2-CZ 4.47Å; Y162-G255 PolarHBondContact OH-O 2.95Å
163Q95.6Very high96.9Very high76 Ų7656.4 Ų56.436%0.35529%0.287SS..Hα-helixtrans-63.5-46.7176.9-65.4-58.1-37.300111.6D159 N160 M165 L166 A167D159-Q163 WeakPolarHBondContact O-CG 3.35Å; D159-Q163 PolarHBondContact O-N 3.38Å; N160-Q163 PolarHBondContact O-N 3.13Å; Q163-M165 PolarHBondContact O-N 3Å; Q163-L166 PolarHBondContact O-N 2.99Å; Q163-L166 VanDerWaalsContact O-N 3.16Å; Q163-A167 WeakPolarHBondContact O-CB 3.48Å; Q163-A167 PolarHBondContact O-N 3.44Å
164Y96.6Very high96.8Very high118 Ų11859.1 Ų59.146%0.46330%0.301SS..Hα-helixtrans-61.8-41.7177.2-67.4-47.8000111.9N160 A161 L166 A167 D168N160-Y164 HydrophobicContact CB-CD2 4.32Å; N160-Y164 HydrophobicContact CB-CE2 3.92Å; N160-Y164 WeakPolarHBondContact O-CB 3.25Å; N160-Y164 WeakPolarHBondContact O-CD2 3.33Å; N160-Y164 VanDerWaalsContact O-CG 3.26Å; N160-Y164 PolarHBondContact O-N 2.86Å; A161-Y164 PolarHBondContact O-N 2.76Å; Y164-L166 VanDerWaalsContact C-N 3.27Å; Y164-L166 PolarHBondContact O-N 3.01Å; Y164-A167 PolarHBondContact O-N 3.07Å; Y164-D168 WeakPolarHBondContact O-CB 3.31Å; Y164-D168 PolarHBondContact O-N 3.14Å
165M96.6Very high96.8Very high34 Ų3466 Ų6617%0.16734%0.337CS..Hα-helixtrans-56.1-41.7174-176.6-166.171.100112.3A161 Y162 Q163 R169 Q172 F251A161-M165 WeakPolarHBondContact O-CB 3.49Å; A161-M165 PolarHBondContact O-N 3.16Å; Y162-M165 HydrophobicContact CD2-CE 3.78Å; Y162-M165 HydrophobicContact CE2-CE 3.86Å; Y162-M165 PolarHBondContact O-N 3.31Å; Q163-M165 PolarHBondContact O-N 3Å; M165-R169 VanDerWaalsContact O-CA 3.28Å; M165-R169 WeakPolarHBondContact O-CA 3.31Å; M165-R169 PolarHBondContact O-N 3Å; M165-Q172 HydrophobicContact CB-CG 3.79Å; M165-F251 HydrophobicContact CE-CB 3.69Å; M165-F251 HydrophobicContact CE-CD1 4.16Å; M165-F251 HydrophobicContact CE-CD2 3.64Å; M165-F251 HydrophobicContact CE-CE2 4.27Å; M165-F251 HydrophobicContact CE-CG 3.57Å; M165-F251 HydrophobicContact SD-CB 4.08Å; M165-F251 HydrophobicContact SD-CD2 3.39Å; M165-F251 WeakPolarHBondContact SD-CD2 3.47Å; M165-F251 HydrophobicContact SD-CE2 4.01Å; M165-F251 HydrophobicContact SD-CG 3.92Å
166L93.8Very high96.7Very high42 Ų4268.4 Ų68.422%0.2235%0.349CS..Hα-helixtrans-77.6-38.2-179.9-67.1-176.6000113.6Y162 Q163 Y164 R169Y162-L166 HydrophobicContact CD1-CD1 4.06Å; Y162-L166 HydrophobicContact CE1-CD1 3.39Å; Y162-L166 HydrophobicContact CE1-CG 4.28Å; Y162-L166 HydrophobicContact CE2-CD1 4.36Å; Y162-L166 WeakPolarHBondContact O-CG 3.42Å; Y162-L166 PolarHBondContact O-N 3.1Å; Q163-L166 PolarHBondContact O-N 2.99Å; Q163-L166 VanDerWaalsContact O-N 3.16Å; Y164-L166 VanDerWaalsContact C-N 3.27Å; Y164-L166 PolarHBondContact O-N 3.01Å; L166-R169 WeakPolarHBondContact O-CD 3.36Å; L166-R169 PolarHBondContact O-NE 2.96Å; L166-R169 VanDerWaalsContact O-NE 3.07Å
167A95.5Very high96.6Very high72 Ų7274.8 Ų74.860%0.59539%0.389SS*.Hα-helixtrans-75.3-51.7-177.800000111.4Q163 Y164Q163-A167 WeakPolarHBondContact O-CB 3.48Å; Q163-A167 PolarHBondContact O-N 3.44Å; Y164-A167 PolarHBondContact O-N 3.07Å
168D96.6Very high96.4Very high91 Ų9174.5 Ų74.549%0.48740%0.396SS..Hα-helixtrans-90-13.7-171.7-53.9-30.4000111.9Y164 E170Y164-D168 WeakPolarHBondContact O-CB 3.31Å; Y164-D168 PolarHBondContact O-N 3.14Å; D168-E170 PolarHBondContact O-N 3.21Å
169R94.9Very high96Very high168 Ų16880.8 Ų80.863%0.63443%0.425SS*.  trans5931-177.7-55.5-62-176.8168-0.8113.3M165 L166 T253M165-R169 VanDerWaalsContact O-CA 3.28Å; M165-R169 WeakPolarHBondContact O-CA 3.31Å; M165-R169 PolarHBondContact O-N 3Å; L166-R169 WeakPolarHBondContact O-CD 3.36Å; L166-R169 PolarHBondContact O-NE 2.96Å; L166-R169 VanDerWaalsContact O-NE 3.07Å; R169-T253 PolarHBondContact NH1-O 3.33Å
170E96.9Very high95.4Very high129 Ų12982.5 Ų82.560%0.60344%0.437SS*.  trans-114.1145.7177.9-66.5-173167.700112D168 Q172D168-E170 PolarHBondContact O-N 3.21Å; E170-Q172 PolarHBondContact O-NE2 3.26Å
171N96.9Very high94.9Very high166 Ų16682.3 Ų82.389%0.88844%0.44SS*.  trans-64.5139.6176-66.5-32.2000110.8
172Q97.9Very high94.6Very high83 Ų8383.7 Ų83.739%0.38845%0.451SS..  trans-113.9155-178-56.9-61.8-46.300111.1A161 M165 E170A161-Q172 HydrophobicContact CB-CB 4.31Å; A161-Q172 WeakPolarHBondContact O-CG 3.47Å; M165-Q172 HydrophobicContact CB-CG 3.79Å; E170-Q172 PolarHBondContact O-NE2 3.26Å
173S97.2Very high94.3Very high90 Ų9083.2 Ų83.263%0.62945%0.454SS*.  trans-137.2144.1174.566.90000111.3
174I97.8Very high94.2Very high57 Ų5782.7 Ų82.729%0.29245%0.451SS..  trans-121.8111.6174.4-61.1172.7000107.2I157 A161 I176 V191 F195I157-I174 HydrophobicContact CG2-CD1 4.23Å; I157-I174 HydrophobicContact CG2-CG1 4.31Å; I157-I174 HydrophobicContact CG2-CG2 4.3Å; A161-I174 HydrophobicContact CB-CD1 4.19Å; A161-I174 HydrophobicContact CB-CG1 4.44Å; I174-I176 HydrophobicContact CG2-CD1 4.42Å; I174-I176 HydrophobicContact CG2-CG1 4.03Å; I174-V191 HydrophobicContact CD1-CG1 3.77Å; I174-F195 HydrophobicContact CD1-CE2 4.32Å; I174-F195 HydrophobicContact CD1-CZ 3.96Å
175L97.1Very high93.8Very high155 Ų15579 Ų7981%0.81244%0.44SS*.  trans-92.4118.1176.7-92.664.4000110.1
176I96.6Very high93.5Very high57 Ų5781 Ų8129%0.29245%0.454SS..  trans-110.8106.9178.2-56.3176.2000108.8I174 K184 N187 V191I174-I176 HydrophobicContact CG2-CD1 4.42Å; I174-I176 HydrophobicContact CG2-CG1 4.03Å; I176-K184 HydrophobicContact CG2-CB 4.05Å; I176-K184 HydrophobicContact CG2-CG 4.2Å; I176-N187 HydrophobicContact CD1-CB 4.28Å; I176-N187 HydrophobicContact CG2-CB 4.38Å; I176-V191 HydrophobicContact CD1-CG2 4.3Å
177T95Very high93.5Very high136 Ų13679.7 Ų79.783%0.83445%0.448SS*.  trans-115168.6-179-170.20000112.1
178G93.8Very high93.4Very high36 Ų3678.2 Ų78.237%0.37143%0.431SS..  trans144.7165.7179.800000112.7K184G178-K184 WeakPolarHBondContact O-CD 3.3Å; G178-K184 WeakPolarHBondContact O-CE 3.38Å; G178-K184 PolarHBondContact O-NZ 3.24Å
179E90Very high93Very high132 Ų13276.7 Ų76.762%0.61742%0.42SS*.  trans-68172.3177.9-62.6-165.417000113.1G181 A182 K184 R236E179-G181 PolarHBondContact O-N 3.2Å; E179-A182 VanDerWaalsContact O-CB 3.28Å; E179-A182 WeakPolarHBondContact O-CB 3.28Å; E179-A182 PolarHBondContact O-N 2.86Å; E179-K184 PolarHBondContact O-NZ 3.08Å; E179-R236 IonicContact OE2-CZ 3.99Å; E179-R236 IonicContact OE2-NH1 3.64Å; E179-R236 PolarHBondContact OE2-NH1 3.2Å
180S84.7Confident93Very high36 Ų3671.9 Ų71.925%0.25240%0.402SS..THydrogen-bonded Turntrans-61130.5170.1-170.70000110.3S240S180-S240 PolarHBondContact OG-OG 2.87Å; S180-S240 VanDerWaalsContact OG-OG 3.09Å
181G85.7Confident92.9Very high13 Ų1366.3 Ų66.313%0.13438%0.376CS..THydrogen-bonded Turntrans90.1-8.3-176.100000115.4N126 E179 G183N126-G181 PolarHBondContact ND2-O 3.21Å; N126-G181 VanDerWaalsContact ND2-O 3.1Å; E179-G181 PolarHBondContact O-N 3.2Å; G181-G183 PolarHBondContact O-N 2.87Å; G181-G183 VanDerWaalsContact O-N 3.08Å
182A91.2Very high92.6Very high39 Ų3958.9 Ų58.932%0.32234%0.337SS..SBendtrans-68-8-179.500000115E179E179-A182 VanDerWaalsContact O-CB 3.28Å; E179-A182 WeakPolarHBondContact O-CB 3.28Å; E179-A182 PolarHBondContact O-N 2.86Å
183G91.1Very high92.2Very high17 Ų1758.2 Ų58.218%0.17533%0.334CS..SBendtrans91.315.8178.800000115.6G181 T185 V186 N187G181-G183 PolarHBondContact O-N 2.87Å; G181-G183 VanDerWaalsContact O-N 3.08Å; G183-T185 PolarHBondContact O-N 3.24Å; G183-V186 PolarHBondContact O-N 3.41Å; G183-N187 PolarHBondContact O-N 2.79Å; G183-N187 PolarHBondContact O-ND2 3.08Å
184K92.3Very high92Very high66 Ų6654 Ų5429%0.28730%0.304SS..Hα-helixtrans-49.4-55.4178.6-61.4-172.1-65.7-75.60113I176 G178 E179 V186 N187 T188I176-K184 HydrophobicContact CG2-CB 4.05Å; I176-K184 HydrophobicContact CG2-CG 4.2Å; G178-K184 WeakPolarHBondContact O-CD 3.3Å; G178-K184 WeakPolarHBondContact O-CE 3.38Å; G178-K184 PolarHBondContact O-NZ 3.24Å; E179-K184 PolarHBondContact O-NZ 3.08Å; K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.92Å; K184-N187 PolarHBondContact O-N 3.14Å; K184-N187 VanDerWaalsContact O-N 3.13Å; K184-T188 PolarHBondContact O-N 2.78Å; K184-T188 PolarHBondContact O-OG1 2.97Å; K184-T188 VanDerWaalsContact O-OG1 3.08Å
185T87.9Confident91.7Very high40 Ų4052.4 Ų52.425%0.24530%0.295CS..Hα-helixtrans-59.7-37.6-177.9-490000112.3G183 K189 S241G183-T185 PolarHBondContact O-N 3.24Å; T185-K189 WeakPolarHBondContact O-CG 3.35Å; T185-K189 PolarHBondContact O-N 3.16Å; T185-K189 VanDerWaalsContact O-N 3.07Å; T185-S241 PolarHBondContact OG1-OG 3.26Å; T185-S241 VanDerWaalsContact OG1-OG 3.09Å
186V90.6Very high91.2Very high77 Ų7745.7 Ų45.747%0.46726%0.262SS..Hα-helixtrans-66.2-47.8176.8178.70000110G183 K184 T188 K189 R190G183-V186 PolarHBondContact O-N 3.41Å; K184-V186 VanDerWaalsContact C-N 3.28Å; K184-V186 PolarHBondContact O-N 2.92Å; V186-T188 PolarHBondContact O-N 3.11Å; V186-K189 WeakPolarHBondContact O-CB 3.42Å; V186-K189 PolarHBondContact O-N 3.08Å; V186-R190 WeakPolarHBondContact O-CG 3.34Å; V186-R190 PolarHBondContact O-N 3.27Å
187N94.7Very high90.6Very high14 Ų1445.2 Ų45.28%0.07526%0.264CS..Hα-helixtrans-61.6-42.3177.2-79.6-52.2000112.4I154 I176 G183 K184 K189 R190 V191I154-N187 HydrophobicContact CD1-CB 3.53Å; I154-N187 VanDerWaalsContact CD1-OD1 3.28Å; I154-N187 WeakPolarHBondContact CD1-OD1 3.44Å; I176-N187 HydrophobicContact CD1-CB 4.28Å; I176-N187 HydrophobicContact CG2-CB 4.38Å; G183-N187 PolarHBondContact O-N 2.79Å; G183-N187 PolarHBondContact O-ND2 3.08Å; K184-N187 PolarHBondContact O-N 3.14Å; K184-N187 VanDerWaalsContact O-N 3.13Å; N187-K189 VanDerWaalsContact C-N 3.32Å; N187-K189 PolarHBondContact O-N 2.93Å; N187-R190 PolarHBondContact O-N 3.38Å; N187-R190 VanDerWaalsContact O-N 3.08Å; N187-V191 WeakPolarHBondContact O-CG2 3.46Å; N187-V191 PolarHBondContact O-N 3.19Å
188T92.4Very high90.2Very high40 Ų4039.3 Ų39.325%0.24523%0.227CC..Hα-helixtrans-56.7-45.5173.3-55.30000111.5K184 V186 R190 V191 I192 I247K184-T188 PolarHBondContact O-N 2.78Å; K184-T188 PolarHBondContact O-OG1 2.97Å; K184-T188 VanDerWaalsContact O-OG1 3.08Å; V186-T188 PolarHBondContact O-N 3.11Å; T188-R190 VanDerWaalsContact C-N 3.32Å; T188-R190 PolarHBondContact O-N 3.36Å; T188-V191 PolarHBondContact O-N 3.42Å; T188-I192 HydrophobicContact CG2-CD1 4.03Å; T188-I192 VanDerWaalsContact O-CG1 3.27Å; T188-I192 WeakPolarHBondContact O-CG1 3.27Å; T188-I192 PolarHBondContact O-N 3.47Å; T188-I192 VanDerWaalsContact O-N 3.11Å; T188-I247 HydrophobicContact CG2-CD1 4.02Å
189K89Confident89.5Confident59 Ų5937.9 Ų37.926%0.25721%0.211SC..Hα-helixtrans-60.3-40.9175.3-72.3175.5-179.3-178.40111.9T185 V186 N187 I192 Q193 E227T185-K189 WeakPolarHBondContact O-CG 3.35Å; T185-K189 PolarHBondContact O-N 3.16Å; T185-K189 VanDerWaalsContact O-N 3.07Å; V186-K189 WeakPolarHBondContact O-CB 3.42Å; V186-K189 PolarHBondContact O-N 3.08Å; N187-K189 VanDerWaalsContact C-N 3.32Å; N187-K189 PolarHBondContact O-N 2.93Å; K189-I192 PolarHBondContact O-N 3.35Å; K189-Q193 WeakPolarHBondContact O-CB 3.29Å; K189-Q193 WeakPolarHBondContact O-CG 3.22Å; K189-Q193 PolarHBondContact O-N 3.09Å; K189-E227 WeakPolarHBondContact CE-OE1 3.46Å; K189-E227 IonicContact NZ-OE1 3.97Å; K189-E227 PolarHBondContact NZ-OE1 2.99Å; K189-E227 IonicContact NZ-OE2 2.68Å; K189-E227 PolarHBondContact NZ-OE2 3.35Å
190R93.6Very high88.6Confident68 Ų6833.4 Ų33.426%0.25720%0.197SC..Hα-helixtrans-64.9-41.2178.7-64.7-50.3-174.6-1765112.7Y134 F155 V186 N187 T188 Q193 Y194Y134-R190 HydrophobicContact CD1-CG 3.94Å; Y134-R190 HydrophobicContact CE1-CG 3.81Å; F155-R190 HydrophobicContact CE1-CB 4.43Å; V186-R190 WeakPolarHBondContact O-CG 3.34Å; V186-R190 PolarHBondContact O-N 3.27Å; N187-R190 PolarHBondContact O-N 3.38Å; N187-R190 VanDerWaalsContact O-N 3.08Å; T188-R190 VanDerWaalsContact C-N 3.32Å; T188-R190 PolarHBondContact O-N 3.36Å; R190-Q193 PolarHBondContact O-N 3.03Å; R190-Y194 WeakPolarHBondContact O-CB 3.34Å; R190-Y194 PolarHBondContact O-N 2.68Å
191V94.8Very high87.2Confident11 Ų1133.3 Ų33.37%0.06720%0.202CC..Hα-helixtrans-61.3-47.9175.5172.10000110.8I154 I174 I176 N187 T188 Q193 Y194 F195I154-V191 HydrophobicContact CD1-CG2 3.63Å; I154-V191 HydrophobicContact CG1-CG2 3.74Å; I174-V191 HydrophobicContact CD1-CG1 3.77Å; I176-V191 HydrophobicContact CD1-CG2 4.3Å; N187-V191 WeakPolarHBondContact O-CG2 3.46Å; N187-V191 PolarHBondContact O-N 3.19Å; T188-V191 PolarHBondContact O-N 3.42Å; V191-Q193 PolarHBondContact O-N 3.24Å; V191-Y194 WeakPolarHBondContact O-CB 3.35Å; V191-Y194 PolarHBondContact O-N 3.07Å; V191-F195 HydrophobicContact CG1-CD2 3.92Å; V191-F195 HydrophobicContact CG1-CE2 3.39Å; V191-F195 HydrophobicContact CG1-CZ 4.06Å; V191-F195 WeakPolarHBondContact O-CD2 3.41Å; V191-F195 PolarHBondContact O-N 2.93Å
192I91Very high85.4Confident10 Ų1038.9 Ų38.95%0.05124%0.239CC..Hα-helixtrans-61.8-46.2178-63.6167.3000111.1T188 K189 Y194 F195 A196 I219 I247 I249T188-I192 HydrophobicContact CG2-CD1 4.03Å; T188-I192 VanDerWaalsContact O-CG1 3.27Å; T188-I192 WeakPolarHBondContact O-CG1 3.27Å; T188-I192 PolarHBondContact O-N 3.47Å; T188-I192 VanDerWaalsContact O-N 3.11Å; K189-I192 PolarHBondContact O-N 3.35Å; I192-Y194 VanDerWaalsContact C-N 3.25Å; I192-Y194 PolarHBondContact O-N 3.22Å; I192-F195 PolarHBondContact O-N 2.9Å; I192-A196 WeakPolarHBondContact O-CB 3.39Å; I192-A196 PolarHBondContact O-N 3.43Å; I192-I219 HydrophobicContact CG2-CG2 3.54Å; I192-I247 HydrophobicContact CD1-CD1 3.52Å; I192-I249 HydrophobicContact CG1-CD1 4.21Å; I192-I249 HydrophobicContact CG2-CD1 4.48Å
193Q88.8Confident83.4Confident69 Ų6942.6 Ų42.632%0.32225%0.252SS..Hα-helixtrans-59.8-37.9177-77.3174.8-15.200111.7K189 R190 V191 S197 I220K189-Q193 WeakPolarHBondContact O-CB 3.29Å; K189-Q193 WeakPolarHBondContact O-CG 3.22Å; K189-Q193 PolarHBondContact O-N 3.09Å; R190-Q193 PolarHBondContact O-N 3.03Å; V191-Q193 PolarHBondContact O-N 3.24Å; Q193-S197 WeakPolarHBondContact O-CB 3.19Å; Q193-S197 PolarHBondContact O-N 2.78Å; Q193-I220 HydrophobicContact CG-CD1 4.1Å; Q193-I220 HydrophobicContact CG-CG1 4.48Å
194Y93.2Very high81.3Confident1 Ų151.1 Ų51.10%0.00428%0.284CS..Hα-helixtrans-63.3-50.9175.7-170.5-92.2000111.2V139 F155 S158 D159 R190 V191 I192 A196 S197 I198V139-Y194 HydrophobicContact CB-CE2 4.32Å; V139-Y194 HydrophobicContact CG1-CD2 3.94Å; V139-Y194 HydrophobicContact CG1-CE2 3.72Å; V139-Y194 HydrophobicContact CG2-CD2 4.29Å; F155-Y194 HydrophobicContact CB-CD2 3.79Å; F155-Y194 HydrophobicContact CB-CE2 3.59Å; F155-Y194 AromaticContact CD1-CD2 3.32Å; F155-Y194 HydrophobicContact CD1-CD2 3.32Å; F155-Y194 HydrophobicContact CD1-CE2 4.06Å; F155-Y194 AromaticContact CD1-CG 3.88Å; F155-Y194 HydrophobicContact CD1-CG 3.88Å; F155-Y194 AromaticContact CD2-CD2 3.99Å; F155-Y194 HydrophobicContact CD2-CD2 3.99Å; F155-Y194 HydrophobicContact CD2-CE2 4.09Å; F155-Y194 AromaticContact CE1-CD2 3.82Å; F155-Y194 HydrophobicContact CE1-CD2 3.82Å; F155-Y194 HydrophobicContact CE1-CG 4.37Å; F155-Y194 HydrophobicContact CE2-CD2 4.43Å; F155-Y194 AromaticContact CG-CD2 3.43Å; F155-Y194 HydrophobicContact CG-CD2 3.43Å; F155-Y194 VanDerWaalsContact CG-CD2 3.43Å; F155-Y194 AromaticContact CG-CE2 3.67Å; F155-Y194 HydrophobicContact CG-CE2 3.67Å; F155-Y194 HydrophobicContact CG-CG 4.33Å; F155-Y194 HydrophobicContact CZ-CD2 4.35Å; S158-Y194 VanDerWaalsContact CB-CD1 3.46Å; D159-Y194 HydrophobicContact CB-CE1 3.72Å; D159-Y194 WeakPolarHBondContact CB-OH 3.36Å; D159-Y194 VanDerWaalsContact CG-OH 3.3Å; D159-Y194 PolarHBondContact OD1-OH 3.14Å; R190-Y194 WeakPolarHBondContact O-CB 3.34Å; R190-Y194 PolarHBondContact O-N 2.68Å; V191-Y194 WeakPolarHBondContact O-CB 3.35Å; V191-Y194 PolarHBondContact O-N 3.07Å; I192-Y194 VanDerWaalsContact C-N 3.25Å; I192-Y194 PolarHBondContact O-N 3.22Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; Y194-A196 PolarHBondContact O-N 3.34Å; Y194-S197 PolarHBondContact O-N 3.27Å; Y194-S197 VanDerWaalsContact O-N 3.1Å; Y194-I198 HydrophobicContact CD1-CD1 4.01Å; Y194-I198 HydrophobicContact CD1-CG2 4.3Å; Y194-I198 HydrophobicContact CE1-CD1 3.72Å; Y194-I198 HydrophobicContact CE1-CG2 3.87Å; Y194-I198 HydrophobicContact CE2-CG2 4.47Å; Y194-I198 PolarHBondContact O-N 3.02Å
195F92.3Very high79.4Confident24 Ų2456.1 Ų56.111%0.10531%0.306CS..Hα-helixtrans-58-44.8176.6-69.1-43.2000112.5S158 I174 V191 I192 S197 I198 A199 I249 F251S158-F195 VanDerWaalsContact O-CE1 3.25Å; S158-F195 WeakPolarHBondContact O-CE1 3.08Å; I174-F195 HydrophobicContact CD1-CE2 4.32Å; I174-F195 HydrophobicContact CD1-CZ 3.96Å; V191-F195 HydrophobicContact CG1-CD2 3.92Å; V191-F195 HydrophobicContact CG1-CE2 3.39Å; V191-F195 HydrophobicContact CG1-CZ 4.06Å; V191-F195 WeakPolarHBondContact O-CD2 3.41Å; V191-F195 PolarHBondContact O-N 2.93Å; I192-F195 PolarHBondContact O-N 2.9Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 3.26Å; F195-I198 HydrophobicContact CD1-CD1 4.3Å; F195-I198 WeakPolarHBondContact O-CG1 3.46Å; F195-I198 PolarHBondContact O-N 3.29Å; F195-A199 WeakPolarHBondContact O-CB 3.41Å; F195-A199 PolarHBondContact O-N 3.08Å; F195-I249 HydrophobicContact CD2-CD1 3.93Å; F195-F251 HydrophobicContact CB-CZ 4.13Å; F195-F251 HydrophobicContact CD1-CZ 4.23Å; F195-F251 HydrophobicContact CG-CZ 4.15Å
196A86.1Confident77.7Confident14 Ų1459.5 Ų59.512%0.11632%0.323CS..Hα-helixtrans-57.3-46.317400000111.7I192 Y194 I198 A200 E216I192-A196 WeakPolarHBondContact O-CB 3.39Å; I192-A196 PolarHBondContact O-N 3.43Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; Y194-A196 PolarHBondContact O-N 3.34Å; A196-I198 PolarHBondContact O-N 3.28Å; A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 2.67Å; A196-A200 VanDerWaalsContact O-N 3.08Å; A196-E216 HydrophobicContact CB-CB 3.81Å; A196-E216 HydrophobicContact CB-CG 3.77Å
197S85.4Confident75.9Confident48 Ų4861.8 Ų61.834%0.33634%0.339SS..Hα-helixtrans-65.4-35.6-178.6-177.20000113.6Q136 Q193 Y194 F195Q136-S197 PolarHBondContact NE2-OG 3.22Å; Q136-S197 VanDerWaalsContact NE2-OG 3.16Å; Q193-S197 WeakPolarHBondContact O-CB 3.19Å; Q193-S197 PolarHBondContact O-N 2.78Å; Y194-S197 PolarHBondContact O-N 3.27Å; Y194-S197 VanDerWaalsContact O-N 3.1Å; F195-S197 VanDerWaalsContact C-N 3.34Å; F195-S197 PolarHBondContact O-N 3.26Å
198I85.8Confident73.9Confident11 Ų1167.6 Ų67.66%0.05637%0.37CS..Hα-helixtrans-87.7-29-177.368176.7000112.7Y162 Y194 F195 A196Y162-I198 HydrophobicContact CD1-CD1 3.64Å; Y162-I198 HydrophobicContact CD2-CD1 3.99Å; Y162-I198 HydrophobicContact CE1-CD1 4.1Å; Y162-I198 HydrophobicContact CE2-CD1 4.42Å; Y162-I198 HydrophobicContact CG-CD1 3.57Å; Y194-I198 HydrophobicContact CD1-CD1 4.01Å; Y194-I198 HydrophobicContact CD1-CG2 4.3Å; Y194-I198 HydrophobicContact CE1-CD1 3.72Å; Y194-I198 HydrophobicContact CE1-CG2 3.87Å; Y194-I198 HydrophobicContact CE2-CG2 4.47Å; Y194-I198 PolarHBondContact O-N 3.02Å; F195-I198 HydrophobicContact CD1-CD1 4.3Å; F195-I198 WeakPolarHBondContact O-CG1 3.46Å; F195-I198 PolarHBondContact O-N 3.29Å; A196-I198 PolarHBondContact O-N 3.28Å
199A79.9Confident72.2Confident6 Ų668.9 Ų68.95%0.0539%0.385CS..Hα-helixtrans-90-22.1-176.100000113.5F195 G201 F251 L257F195-A199 WeakPolarHBondContact O-CB 3.41Å; F195-A199 PolarHBondContact O-N 3.08Å; A199-G201 PolarHBondContact O-N 2.64Å; A199-F251 HydrophobicContact CB-CD1 4.33Å; A199-F251 HydrophobicContact CB-CE1 3.84Å; A199-L257 HydrophobicContact CB-CB 4.29Å
200A69.3Low70.2Confident38 Ų3875.3 Ų75.331%0.31441%0.413SS..SBendtrans-69.117179.200000114.9A196 S202 I203 E216A196-A200 WeakPolarHBondContact O-CB 3.28Å; A196-A200 PolarHBondContact O-N 2.67Å; A196-A200 VanDerWaalsContact O-N 3.08Å; A200-S202 PolarHBondContact O-N 3.36Å; A200-S202 VanDerWaalsContact O-N 3.15Å; A200-I203 PolarHBondContact O-N 2.95Å; A200-E216 HydrophobicContact CB-CG 4.25Å
201G56.8Low68.3Low34 Ų3480.3 Ų80.335%0.35144%0.444SS..THydrogen-bonded Turntrans-37.5114.8-163.700000114.9A199 I203A199-G201 PolarHBondContact O-N 2.64Å; G201-I203 WeakPolarHBondContact O-CG1 3.46Å; G201-I203 PolarHBondContact O-N 2.72Å
202S47.3Very low66.3Low131 Ų13187.9 Ų87.992%0.91648%0.476SS*.THydrogen-bonded Turntrans43.624.5168-37.70000117.3A200 K204A200-S202 PolarHBondContact O-N 3.36Å; A200-S202 VanDerWaalsContact O-N 3.15Å; S202-K204 PolarHBondContact O-N 3.07Å; S202-K204 VanDerWaalsContact O-N 3.15Å
203I48.5Very low65Low117 Ų11789.2 Ų89.260%0.649%0.493SS*.  trans-78107.9175.7-56.9-174.7000106.6A200 G201 K205A200-I203 PolarHBondContact O-N 2.95Å; G201-I203 WeakPolarHBondContact O-CG1 3.46Å; G201-I203 PolarHBondContact O-N 2.72Å; I203-K205 PolarHBondContact O-N 3.03Å; I203-K205 VanDerWaalsContact O-N 3.13Å
204K47.4Very low64.5Low195 Ų19588.7 Ų88.785%0.84850%0.495SS*.  trans-50.8121.3166.9-80.4-177.8176.3178.80107.4S202 D206S202-K204 PolarHBondContact O-N 3.07Å; S202-K204 VanDerWaalsContact O-N 3.15Å; K204-D206 PolarHBondContact O-N 3.07Å; K204-D206 VanDerWaalsContact O-N 3.15Å
205K53.2Low63.6Low172 Ų17291.3 Ų91.375%0.74851%0.508SS*.  trans-47.9122.5169.8-75.1-176.5173.5-174.90108I203 P207I203-K205 PolarHBondContact O-N 3.03Å; I203-K205 VanDerWaalsContact O-N 3.13Å; K205-P207 WeakPolarHBondContact O-CD 3.41Å
206D51.6Low62.7Low111 Ų11191.5 Ų91.559%0.59451%0.51SS*.  trans-68.4112.1171.9-167.3-17.8000107.4K204 N208 A209K204-D206 PolarHBondContact O-N 3.07Å; K204-D206 VanDerWaalsContact O-N 3.15Å; D206-N208 PolarHBondContact O-N 3.12Å; D206-N208 PolarHBondContact OD1-N 3.18Å; D206-A209 PolarHBondContact O-N 3.27Å
207P53.7Low62.3Low124 Ų12494 Ų9481%0.80552%0.521SS*.THydrogen-bonded Turntrans-64.9-9.1-176.827.3-34.5000113K205K205-P207 WeakPolarHBondContact O-CD 3.41Å
208N51.9Low62.1Low137 Ų13796.4 Ų96.473%0.73353%0.527SS*.THydrogen-bonded Turntrans-99.5-0.7179.9-75.9-20.4000114.9D206 K210D206-N208 PolarHBondContact O-N 3.12Å; D206-N208 PolarHBondContact OD1-N 3.18Å; N208-K210 PolarHBondContact O-N 3.29Å
209A56.9Low61.9Low67 Ų6796.7 Ų96.755%0.55453%0.528SS*.  trans-73.488.4174.200000110.3D206 D211D206-A209 PolarHBondContact O-N 3.27Å; A209-D211 PolarHBondContact O-N 3.39Å
210K47.6Very low61.9Low193 Ų19398.7 Ų98.784%0.83954%0.538SS*.  trans-56.8119.2176-71.6-178.3176.6179.90111.2N208 K212N208-K210 PolarHBondContact O-N 3.29Å; K210-K212 PolarHBondContact O-N 3.42Å
211D52.4Low62.6Low173 Ų173102.8 Ų102.893%0.92555%0.55SS**SBendtrans54-8.7159.8-78.6-25.4000121.3A209A209-D211 PolarHBondContact O-N 3.39Å
212K53.3Low64Low170 Ų170102.5 Ų102.574%0.73955%0.545SS*.  trans-109.2100171.4-63-175.3-176.6-178.60107.1K210K210-K212 PolarHBondContact O-N 3.42Å
213G64.3Low65.9Low39 Ų3996.8 Ų96.840%0.40250%0.504SS..  trans-52.1179.3178.900000113.7Q218G213-Q218 PolarHBondContact O-NE2 3.44Å; G213-Q218 VanDerWaalsContact O-NE2 3.1Å
214T77.2Confident67.9Low58 Ų5894.5 Ų94.536%0.35650%0.497SS..  trans-61.7166.5-175.873.20000111.6E216 D217 Q218T214-E216 WeakPolarHBondContact CB-OE2 3.27Å; T214-E216 PolarHBondContact O-N 3.42Å; T214-E216 PolarHBondContact OG1-OE2 3.06Å; T214-D217 PolarHBondContact N-OD2 3.2Å; T214-D217 WeakPolarHBondContact O-CA 3.3Å; T214-D217 WeakPolarHBondContact O-CB 3.29Å; T214-D217 PolarHBondContact O-N 2.61Å; T214-D217 PolarHBondContact OG1-N 2.83Å; T214-Q218 WeakPolarHBondContact O-CG 3.34Å; T214-Q218 PolarHBondContact O-N 2.82Å
215L74.3Confident70Confident55 Ų5587.9 Ų87.929%0.28848%0.478SS..Hα-helixtrans-56-37178.117963.1000111.1Q218 I219 L257 A258L215-Q218 PolarHBondContact O-N 2.96Å; L215-I219 HydrophobicContact CG-CD1 4.4Å; L215-I219 WeakPolarHBondContact O-CG1 3.44Å; L215-I219 PolarHBondContact O-N 3.4Å; L215-L257 HydrophobicContact CB-CD2 4.27Å; L215-L257 HydrophobicContact CD2-CD2 3.94Å; L215-L257 HydrophobicContact CD2-CG 3.81Å; L215-L257 HydrophobicContact CG-CD2 3.91Å; L215-L257 HydrophobicContact CG-CG 4.33Å; L215-A258 WeakPolarHBondContact CD2-O 3.33Å
216E74.3Confident71.9Confident29 Ų2982.1 Ų82.114%0.13646%0.456CS..Hα-helixtrans-57-48.2171.9-59.977.8-174.900111.9A196 A200 T214 Q218 I219 I220 L257A196-E216 HydrophobicContact CB-CB 3.81Å; A196-E216 HydrophobicContact CB-CG 3.77Å; A200-E216 HydrophobicContact CB-CG 4.25Å; T214-E216 WeakPolarHBondContact CB-OE2 3.27Å; T214-E216 PolarHBondContact O-N 3.42Å; T214-E216 PolarHBondContact OG1-OE2 3.06Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.25Å; E216-I219 PolarHBondContact O-N 3.14Å; E216-I220 WeakPolarHBondContact O-CG1 3.36Å; E216-I220 PolarHBondContact O-N 3.04Å; E216-I220 VanDerWaalsContact O-N 3.14Å; E216-L257 HydrophobicContact CB-CD2 4.43Å; E216-L257 HydrophobicContact CG-CD2 3.67Å
217D77.1Confident73.9Confident66 Ų6678.1 Ų78.135%0.35343%0.433SS..Hα-helixtrans-60.9-42.8177.3-66.3-34.9000110.3T214 I219 I220 Q221T214-D217 PolarHBondContact N-OD2 3.2Å; T214-D217 WeakPolarHBondContact O-CA 3.3Å; T214-D217 WeakPolarHBondContact O-CB 3.29Å; T214-D217 PolarHBondContact O-N 2.61Å; T214-D217 PolarHBondContact OG1-N 2.83Å; D217-I219 PolarHBondContact O-N 3.18Å; D217-I220 PolarHBondContact O-N 3.38Å; D217-Q221 WeakPolarHBondContact O-CB 3.46Å; D217-Q221 WeakPolarHBondContact O-CG 3.11Å; D217-Q221 PolarHBondContact O-N 2.7Å
218Q82.2Confident75.9Confident99 Ų9972.7 Ų72.746%0.46340%0.399SS..Hα-helixtrans-63.1-42.1-179.9-66.8175.124.600112.5G213 T214 L215 E216 I220 Q221 A222G213-Q218 PolarHBondContact O-NE2 3.44Å; G213-Q218 VanDerWaalsContact O-NE2 3.1Å; T214-Q218 WeakPolarHBondContact O-CG 3.34Å; T214-Q218 PolarHBondContact O-N 2.82Å; L215-Q218 PolarHBondContact O-N 2.96Å; E216-Q218 VanDerWaalsContact C-N 3.31Å; E216-Q218 PolarHBondContact O-N 3.25Å; Q218-I220 VanDerWaalsContact C-N 3.28Å; Q218-I220 PolarHBondContact O-N 3.47Å; Q218-Q221 PolarHBondContact O-N 3.45Å; Q218-A222 PolarHBondContact O-N 3.49Å
219I80.2Confident78Confident16 Ų1672.4 Ų72.48%0.08239%0.391CS..Hα-helixtrans-62.2-39.4175.7-63168.9000110.5I192 L215 E216 D217 L257 A260I192-I219 HydrophobicContact CG2-CG2 3.54Å; L215-I219 HydrophobicContact CG-CD1 4.4Å; L215-I219 WeakPolarHBondContact O-CG1 3.44Å; L215-I219 PolarHBondContact O-N 3.4Å; E216-I219 PolarHBondContact O-N 3.14Å; D217-I219 PolarHBondContact O-N 3.18Å; I219-L257 HydrophobicContact CD1-CD1 4.12Å; I219-L257 HydrophobicContact CD1-CD2 3.8Å; I219-L257 HydrophobicContact CD1-CG 4.44Å; I219-A260 HydrophobicContact CD1-CB 3.48Å; I219-A260 VanDerWaalsContact CD1-CB 3.48Å; I219-A260 HydrophobicContact CG1-CB 3.68Å
220I79.8Confident79.9Confident49 Ų4969.4 Ų69.425%0.25137%0.367SS..Hα-helixtrans-69-43.3177.3-66.4169.4000110.6Q193 E216 D217 Q218 A222 N223 P224Q193-I220 HydrophobicContact CG-CD1 4.1Å; Q193-I220 HydrophobicContact CG-CG1 4.48Å; E216-I220 WeakPolarHBondContact O-CG1 3.36Å; E216-I220 PolarHBondContact O-N 3.04Å; E216-I220 VanDerWaalsContact O-N 3.14Å; D217-I220 PolarHBondContact O-N 3.38Å; Q218-I220 VanDerWaalsContact C-N 3.28Å; Q218-I220 PolarHBondContact O-N 3.47Å; I220-A222 VanDerWaalsContact C-N 3.3Å; I220-A222 PolarHBondContact O-N 3.43Å; I220-N223 WeakPolarHBondContact O-CB 3.3Å; I220-N223 PolarHBondContact O-N 2.92Å; I220-N223 VanDerWaalsContact O-N 3.16Å; I220-N223 PolarHBondContact O-ND2 2.71Å; I220-N223 VanDerWaalsContact O-ND2 3.14Å; I220-P224 WeakPolarHBondContact O-CD 3.42Å
221Q84.1Confident82.2Confident124 Ų12460.2 Ų60.258%0.57933%0.327SS*.Hα-helixtrans-69.1-21.2179.8-70-59.6-26.700113.8D217 Q218 N223 P224D217-Q221 WeakPolarHBondContact O-CB 3.46Å; D217-Q221 WeakPolarHBondContact O-CG 3.11Å; D217-Q221 PolarHBondContact O-N 2.7Å; Q218-Q221 PolarHBondContact O-N 3.45Å; Q221-N223 PolarHBondContact O-N 2.95Å; Q221-P224 VanDerWaalsContact O-CD 3.28Å; Q221-P224 WeakPolarHBondContact O-CD 3.34Å
222A86.5Confident84.3Confident28 Ų2852 Ų5223%0.23128%0.283CS..Hα-helixtrans-61.1-26.2170.700000112.2Q218 I220 L226 I262Q218-A222 PolarHBondContact O-N 3.49Å; I220-A222 VanDerWaalsContact C-N 3.3Å; I220-A222 PolarHBondContact O-N 3.43Å; A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å; A222-L226 PolarHBondContact O-N 3.03Å; A222-L226 VanDerWaalsContact O-N 3.08Å; A222-I262 HydrophobicContact CB-CD1 3.92Å
223N86.9Confident86.3Confident11 Ų1146.4 Ų46.46%0.05926%0.259CS..Hα-helixtrans-68.1-54.7-179.9-61.2-59.7000112.7I220 Q221 A225 L226 E227 K245I220-N223 WeakPolarHBondContact O-CB 3.3Å; I220-N223 PolarHBondContact O-N 2.92Å; I220-N223 VanDerWaalsContact O-N 3.16Å; I220-N223 PolarHBondContact O-ND2 2.71Å; I220-N223 VanDerWaalsContact O-ND2 3.14Å; Q221-N223 PolarHBondContact O-N 2.95Å; N223-A225 PolarHBondContact O-N 3.27Å; N223-A225 VanDerWaalsContact O-N 3.17Å; N223-L226 PolarHBondContact O-N 3.37Å; N223-L226 VanDerWaalsContact O-N 3.09Å; N223-E227 WeakPolarHBondContact O-CB 3.37Å; N223-E227 VanDerWaalsContact O-CG 3.26Å; N223-E227 WeakPolarHBondContact O-CG 3.36Å; N223-E227 PolarHBondContact O-N 2.88Å; N223-K245 PolarHBondContact OD1-NZ 2.63Å
224P90.7Very high87.7Confident69 Ų6944.8 Ų44.845%0.44824%0.241SC..Hα-helixtrans-47.9-42.4174.3-30.131.5000114.3I220 Q221 E227 A228I220-P224 WeakPolarHBondContact O-CD 3.42Å; Q221-P224 VanDerWaalsContact O-CD 3.28Å; Q221-P224 WeakPolarHBondContact O-CD 3.34Å; P224-E227 PolarHBondContact O-N 3.21Å; P224-A228 PolarHBondContact O-N 3.48Å
225A91.2Very high88.4Confident56 Ų5647.6 Ų47.646%0.46325%0.253SS..Hα-helixtrans-62.1-53.1176.700000111.6N223 E227 A228 F229N223-A225 PolarHBondContact O-N 3.27Å; N223-A225 VanDerWaalsContact O-N 3.17Å; A225-E227 VanDerWaalsContact C-N 3.27Å; A225-E227 PolarHBondContact O-N 2.91Å; A225-A228 PolarHBondContact O-N 3.29Å; A225-F229 WeakPolarHBondContact O-CD2 3.45Å
226L93.2Very high89.1Confident51 Ų5152.6 Ų52.627%0.26727%0.268SS..Hα-helixtrans-63.6-32.6178.7-68172.6000112.8A222 N223 G230 F243 K245 I262A222-L226 VanDerWaalsContact O-CG 3.3Å; A222-L226 WeakPolarHBondContact O-CG 3.37Å; A222-L226 PolarHBondContact O-N 3.03Å; A222-L226 VanDerWaalsContact O-N 3.08Å; N223-L226 PolarHBondContact O-N 3.37Å; N223-L226 VanDerWaalsContact O-N 3.09Å; L226-G230 WeakPolarHBondContact O-CA 3.41Å; L226-G230 PolarHBondContact O-N 2.79Å; L226-F243 HydrophobicContact CB-CZ 4.07Å; L226-K245 HydrophobicContact CD1-CD 4.37Å; L226-I262 HydrophobicContact CD1-CD1 3.99Å; L226-I262 HydrophobicContact CD1-CG2 4.21Å
227E93.7Very high89.7Confident27 Ų2753.8 Ų53.813%0.12628%0.275CS..Hα-helixtrans-70-37.3178.1-69.5-172.5-175.300112.2K189 N223 P224 A225 F229 N231 N239 H283K189-E227 WeakPolarHBondContact CE-OE1 3.46Å; K189-E227 IonicContact NZ-OE1 3.97Å; K189-E227 PolarHBondContact NZ-OE1 2.99Å; K189-E227 IonicContact NZ-OE2 2.68Å; K189-E227 PolarHBondContact NZ-OE2 3.35Å; N223-E227 WeakPolarHBondContact O-CB 3.37Å; N223-E227 VanDerWaalsContact O-CG 3.26Å; N223-E227 WeakPolarHBondContact O-CG 3.36Å; N223-E227 PolarHBondContact O-N 2.88Å; P224-E227 PolarHBondContact O-N 3.21Å; A225-E227 VanDerWaalsContact C-N 3.27Å; A225-E227 PolarHBondContact O-N 2.91Å; E227-F229 VanDerWaalsContact C-N 3.29Å; E227-F229 PolarHBondContact O-N 2.9Å; E227-N231 HydrophobicContact CB-CB 4.28Å; E227-N231 WeakPolarHBondContact CG-ND2 3.18Å; E227-N231 WeakPolarHBondContact O-CA 3.27Å; E227-N231 VanDerWaalsContact O-CB 3.26Å; E227-N231 WeakPolarHBondContact O-CB 3.23Å; E227-N231 PolarHBondContact O-N 3.49Å; E227-N239 PolarHBondContact OE2-ND2 3.39Å; E227-H283 PolarHBondContact O-CD2 3.15Å
228A96.4Very high90.5Very high10 Ų1056 Ų568%0.08329%0.287CS..Hα-helixtrans-58.4-42.9176.600000111.8P224 A225 H283 I284P224-A228 PolarHBondContact O-N 3.48Å; A225-A228 PolarHBondContact O-N 3.29Å; A228-H283 PolarHBondContact O-N 3.15Å; A228-I284 HydrophobicContact CB-CB 4.37Å; A228-I284 HydrophobicContact CB-CD1 4.4Å; A228-I284 WeakPolarHBondContact O-CB 3.46Å; A228-I284 PolarHBondContact O-N 3.04Å
229F96.9Very high91Very high131 Ų13154 Ų5458%0.57528%0.279SS*.Hα-helixtrans-96-16.9-174.9-67.4-84.3000114.9A225 E227 Y282 I284A225-F229 WeakPolarHBondContact O-CD2 3.45Å; E227-F229 VanDerWaalsContact C-N 3.29Å; E227-F229 PolarHBondContact O-N 2.9Å; F229-Y282 WeakPolarHBondContact O-CD1 3.34Å; F229-I284 HydrophobicContact CD1-CB 4.2Å; F229-I284 HydrophobicContact CD1-CG1 4.19Å; F229-I284 HydrophobicContact CD1-CG2 3.87Å; F229-I284 HydrophobicContact CE1-CB 4.18Å; F229-I284 HydrophobicContact CE1-CD1 4.32Å; F229-I284 HydrophobicContact CE1-CG1 3.65Å; F229-I284 HydrophobicContact CE1-CG2 4.11Å; F229-I284 HydrophobicContact CE2-CD1 4.33Å; F229-I284 HydrophobicContact CE2-CG1 4.45Å; F229-I284 HydrophobicContact CZ-CD1 3.93Å; F229-I284 HydrophobicContact CZ-CG1 3.79Å
230G95.9Very high91.6Very high4 Ų453.4 Ų53.44%0.04128%0.277CS..Hα-helixtrans-125.6-6.8-171.700000114.9L226 R242 F243L226-G230 WeakPolarHBondContact O-CA 3.41Å; L226-G230 PolarHBondContact O-N 2.79Å; G230-R242 PolarHBondContact O-N 3.4Å; G230-F243 WeakPolarHBondContact O-CD1 3.41Å
231N95.7Very high92.2Very high0 Ų052.6 Ų52.60%028%0.275CS..EExtended strand (participates in β ladder)trans-109150.9173.7-65.718.8000112.2E227 N239 S240 S241 Y282 H283E227-N231 HydrophobicContact CB-CB 4.28Å; E227-N231 WeakPolarHBondContact CG-ND2 3.18Å; E227-N231 WeakPolarHBondContact O-CA 3.27Å; E227-N231 VanDerWaalsContact O-CB 3.26Å; E227-N231 WeakPolarHBondContact O-CB 3.23Å; E227-N231 PolarHBondContact O-N 3.49Å; N231-N239 WeakPolarHBondContact CB-OD1 3.36Å; N231-N239 PolarHBondContact ND2-O 2.91Å; N231-N239 PolarHBondContact ND2-OD1 3.32Å; N231-S240 VanDerWaalsContact CA-O 3.24Å; N231-S240 WeakPolarHBondContact CA-O 3.44Å; N231-S241 PolarHBondContact ND2-OG 3.48Å; N231-S241 VanDerWaalsContact OD1-CA 3.22Å; N231-S241 WeakPolarHBondContact OD1-CA 3.16Å; N231-S241 WeakPolarHBondContact OD1-CB 3.36Å; N231-S241 PolarHBondContact OD1-OG 2.94Å; N231-Y282 WeakPolarHBondContact O-CA 3.44Å; N231-Y282 WeakPolarHBondContact O-CD1 3.36Å; N231-H283 PolarHBondContact O-CD2 2.93Å; N231-H283 PolarHBondContact O-N 3.48Å; N231-H283 VanDerWaalsContact O-N 3.15Å
232A96.3Very high92.7Very high0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-146.4163.417900000111.2S240 R242 R271 D281 Y282A232-S240 PolarHBondContact N-O 3.26Å; A232-S240 PolarHBondContact O-N 3.12Å; A232-R242 HydrophobicContact CB-CG 4.29Å; A232-R271 VanDerWaalsContact CB-CD 3.46Å; A232-D281 WeakPolarHBondContact CB-O 3.41Å; A232-Y282 HydrophobicContact CB-CD1 4.35Å
233K96.1Very high93.1Very high52 Ų5249.8 Ų49.823%0.22625%0.254CS..  trans-76.9123.2168.3-175.3-95.7174175.80109.8D238 A278 E279 R280K233-D238 WeakPolarHBondContact CA-O 3.47Å; K233-D238 HydrophobicContact CG-CB 4.42Å; K233-D238 WeakPolarHBondContact CG-OD1 3.42Å; K233-A278 PolarHBondContact NZ-O 3.47Å; K233-E279 WeakPolarHBondContact O-CA 3.35Å; K233-R280 HydrophobicContact CB-CB 4.09Å; K233-R280 HydrophobicContact CB-CG 4.27Å; K233-R280 PolarHBondContact O-N 2.86Å
234T93.2Very high93.3Very high5 Ų550.9 Ų50.93%0.03127%0.268CS..  trans-113.5177175.163.90000110.1R236 N237 E279T234-R236 PolarHBondContact O-N 3.5Å; T234-R236 PolarHBondContact OG1-N 3.04Å; T234-N237 PolarHBondContact N-O 3.02Å; T234-N237 PolarHBondContact OG1-N 3.41Å; T234-N237 VanDerWaalsContact OG1-N 3.1Å; T234-N237 PolarHBondContact OG1-O 3.36Å; T234-E279 WeakPolarHBondContact CA-OE1 3.49Å; T234-E279 WeakPolarHBondContact CB-OE1 3.3Å
235I92.6Very high93.3Very high118 Ų11850.6 Ų50.661%0.60526%0.26SS*.SBendtrans-61.7-34.7173.8-61.9173000111.8A278 E279I235-A278 HydrophobicContact CG1-CB 4.24Å; I235-E279 HydrophobicContact CG1-CG 4.1Å; I235-E279 PolarHBondContact N-OE1 3.45Å
236R87.6Confident93.4Very high159 Ų15952.2 Ų52.260%0.626%0.256SS*.SBendtrans-96.3-20.7-172.6-65.4-173.8178.2-172.6-0.8114.7E179 T234E179-R236 IonicContact OE2-CZ 3.99Å; E179-R236 IonicContact OE2-NH1 3.64Å; E179-R236 PolarHBondContact OE2-NH1 3.2Å; T234-R236 PolarHBondContact O-N 3.5Å; T234-R236 PolarHBondContact OG1-N 3.04Å
237N88.6Confident93.4Very high55 Ų5551.4 Ų51.429%0.29425%0.252SS..  trans-157.1131.3-174.2176.711.9000110.7T234 N239 S240T234-N237 PolarHBondContact N-O 3.02Å; T234-N237 PolarHBondContact OG1-N 3.41Å; T234-N237 VanDerWaalsContact OG1-N 3.1Å; T234-N237 PolarHBondContact OG1-O 3.36Å; N237-N239 VanDerWaalsContact C-N 3.31Å; N237-N239 PolarHBondContact ND2-O 3.43Å; N237-N239 PolarHBondContact O-N 3.49Å; N237-N239 PolarHBondContact OD1-N 3.2Å; N237-S240 WeakPolarHBondContact ND2-CA 2.98Å; N237-S240 PolarHBondContact ND2-N 2.78Å
238D92.4Very high93.4Very high111 Ų11154.7 Ų54.759%0.59426%0.263SS*.THydrogen-bonded Turntrans-72.3-22-179.9-69.3-26.6000114.2K233 H283K233-D238 WeakPolarHBondContact CA-O 3.47Å; K233-D238 HydrophobicContact CG-CB 4.42Å; K233-D238 WeakPolarHBondContact CG-OD1 3.42Å; D238-H283 PolarHBondContact O-CE1 2.81Å
239N92.8Very high93.3Very high57 Ų5755.9 Ų55.931%0.30527%0.268SS..THydrogen-bonded Turntrans-129.459.6177.1-167.221.2000110.7E227 N231 N237 H283E227-N239 PolarHBondContact OE2-ND2 3.39Å; N231-N239 WeakPolarHBondContact CB-OD1 3.36Å; N231-N239 PolarHBondContact ND2-O 2.91Å; N231-N239 PolarHBondContact ND2-OD1 3.32Å; N237-N239 VanDerWaalsContact C-N 3.31Å; N237-N239 PolarHBondContact ND2-O 3.43Å; N237-N239 PolarHBondContact O-N 3.49Å; N237-N239 PolarHBondContact OD1-N 3.2Å; N239-H283 PolarHBondContact OD1-NE2 2.87Å
240S92.4Very high93.1Very high5 Ų553.1 Ų53.14%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-83125.3-179.5-174.90000111.2S180 N231 A232 N237 R242S180-S240 PolarHBondContact OG-OG 2.87Å; S180-S240 VanDerWaalsContact OG-OG 3.09Å; N231-S240 VanDerWaalsContact CA-O 3.24Å; N231-S240 WeakPolarHBondContact CA-O 3.44Å; A232-S240 PolarHBondContact N-O 3.26Å; A232-S240 PolarHBondContact O-N 3.12Å; N237-S240 WeakPolarHBondContact ND2-CA 2.98Å; N237-S240 PolarHBondContact ND2-N 2.78Å; S240-R242 PolarHBondContact O-N 2.92Å
241S93.1Very high93Very high31 Ų3154.8 Ų54.822%0.21726%0.263CS..EExtended strand (participates in β ladder)trans-65.5130.9166.2-57.70000110.7T185 N231T185-S241 PolarHBondContact OG1-OG 3.26Å; T185-S241 VanDerWaalsContact OG1-OG 3.09Å; N231-S241 PolarHBondContact ND2-OG 3.48Å; N231-S241 VanDerWaalsContact OD1-CA 3.22Å; N231-S241 WeakPolarHBondContact OD1-CA 3.16Å; N231-S241 WeakPolarHBondContact OD1-CB 3.36Å; N231-S241 PolarHBondContact OD1-OG 2.94Å
242R95Very high92.7Very high63 Ų6356.8 Ų56.824%0.23827%0.273CS..  trans-112.831.2-179.6-49.9-55.7-60.2152.2-2.1111.8G230 A232 S240 L267 E268 Y282G230-R242 PolarHBondContact O-N 3.4Å; A232-R242 HydrophobicContact CB-CG 4.29Å; S240-R242 PolarHBondContact O-N 2.92Å; R242-L267 WeakPolarHBondContact O-CA 2.96Å; R242-E268 HydrophobicContact CB-CB 3.94Å; R242-E268 IonicContact CZ-OE1 3.59Å; R242-E268 IonicContact CZ-OE2 3.79Å; R242-E268 IonicContact NE-OE1 2.59Å; R242-E268 IonicContact NE-OE2 3.72Å; R242-E268 PolarHBondContact NE-OE2 3.42Å; R242-E268 IonicContact NH2-OE1 3.76Å; R242-E268 PolarHBondContact NH2-OE1 3.08Å; R242-E268 IonicContact NH2-OE2 2.69Å; R242-E268 PolarHBondContact NH2-OE2 3.04Å; R242-E268 VanDerWaalsContact NH2-OE2 3.14Å; R242-E268 PolarHBondContact O-N 3.16Å; R242-Y282 HydrophobicContact CB-CE1 4Å; R242-Y282 HydrophobicContact CG-CE1 4.18Å
243F93.8Very high92.3Very high31 Ų3162.4 Ų62.414%0.13631%0.308CS..SBendtrans-153.5152.817765.3-75.9000108.8L226 G230 K245 T264 Y265 L267L226-F243 HydrophobicContact CB-CZ 4.07Å; G230-F243 WeakPolarHBondContact O-CD1 3.41Å; F243-K245 HydrophobicContact CD2-CB 4.47Å; F243-K245 HydrophobicContact CE2-CB 4.09Å; F243-K245 HydrophobicContact CE2-CD 4.49Å; F243-K245 HydrophobicContact CE2-CG 4.37Å; F243-T264 HydrophobicContact CD2-CG2 3.94Å; F243-T264 HydrophobicContact CE2-CG2 3.97Å; F243-Y265 CarbonylContact C-O 3.55Å; F243-L267 HydrophobicContact CB-CB 4.34Å; F243-L267 HydrophobicContact CB-CD1 4Å; F243-L267 HydrophobicContact CD1-CD1 4.43Å
244G91.4Very high92Very high34 Ų3468.5 Ų68.535%0.35133%0.33SS..EExtended strand (participates in β ladder)trans-81.3148.9167.100000110.8T264 Y265G244-T264 CarbonylContact O-C 3.59Å; G244-T264 WeakPolarHBondContact O-CA 3.45Å; G244-Y265 PolarHBondContact N-O 3.49Å; G244-Y265 PolarHBondContact O-N 2.79Å
245K91.6Very high91.7Very high63 Ų6368.3 Ų68.327%0.27433%0.329SS..EExtended strand (participates in β ladder)trans-136.2128.8-178-170-174-173.8-166.90109.7N223 L226 F243 I247 I262 E263N223-K245 PolarHBondContact OD1-NZ 2.63Å; L226-K245 HydrophobicContact CD1-CD 4.37Å; F243-K245 HydrophobicContact CD2-CB 4.47Å; F243-K245 HydrophobicContact CE2-CB 4.09Å; F243-K245 HydrophobicContact CE2-CD 4.49Å; F243-K245 HydrophobicContact CE2-CG 4.37Å; K245-I247 HydrophobicContact CD-CD1 3.73Å; K245-I247 HydrophobicContact CD-CG1 3.85Å; K245-I247 VanDerWaalsContact CE-CG1 3.46Å; K245-I247 HydrophobicContact CG-CD1 4.3Å; K245-I247 HydrophobicContact CG-CG1 3.86Å; K245-I262 HydrophobicContact CD-CG2 4.24Å; K245-I262 VanDerWaalsContact CE-CG2 3.45Å; K245-I262 HydrophobicContact CG-CG2 3.77Å; K245-E263 WeakPolarHBondContact CA-O 3.33Å
246F93.8Very high91.5Very high89 Ų8966.3 Ų66.339%0.3932%0.316SS..EExtended strand (participates in β ladder)trans-116.6127.8167.4178.9-124.9000108.3R248 I262 E263 Y265F246-R248 HydrophobicContact CD1-CG 4.22Å; F246-R248 HydrophobicContact CE1-CG 3.5Å; F246-R248 HydrophobicContact CZ-CG 3.74Å; F246-I262 CarbonylContact O-C 3.55Å; F246-I262 WeakPolarHBondContact O-CA 3.11Å; F246-E263 HydrophobicContact CB-CB 4.43Å; F246-E263 PolarHBondContact N-O 3.45Å; F246-E263 PolarHBondContact O-N 3.02Å; F246-Y265 HydrophobicContact CB-CE2 3.61Å
247I92.4Very high91.5Very high34 Ų3460 Ų6017%0.17429%0.293CS..EExtended strand (participates in β ladder)trans-121.2121-177.2-51.6172000106.7T188 I192 K245 I249 D261 I262T188-I247 HydrophobicContact CG2-CD1 4.02Å; I192-I247 HydrophobicContact CD1-CD1 3.52Å; K245-I247 HydrophobicContact CD-CD1 3.73Å; K245-I247 HydrophobicContact CD-CG1 3.85Å; K245-I247 VanDerWaalsContact CE-CG1 3.46Å; K245-I247 HydrophobicContact CG-CD1 4.3Å; K245-I247 HydrophobicContact CG-CG1 3.86Å; I247-I249 HydrophobicContact CG2-CG1 4.12Å; I247-D261 WeakPolarHBondContact CA-O 2.87Å; I247-I262 HydrophobicContact CG1-CG1 4.28Å; I247-I262 HydrophobicContact CG2-CG1 4.24Å
248R94.7Very high91.5Very high97 Ų9760 Ų6037%0.36630%0.301SS..EExtended strand (participates in β ladder)trans-97.1128.8169.1-65.8-179.1-68.8-142.3-15.9108.1F246 A260 D261 E263F246-R248 HydrophobicContact CD1-CG 4.22Å; F246-R248 HydrophobicContact CE1-CG 3.5Å; F246-R248 HydrophobicContact CZ-CG 3.74Å; R248-A260 CarbonylContact O-C 3.6Å; R248-A260 WeakPolarHBondContact O-CA 3.31Å; R248-A260 WeakPolarHBondContact O-CB 3.01Å; R248-D261 WeakPolarHBondContact CB-OD2 3.47Å; R248-D261 IonicContact CZ-OD1 3.12Å; R248-D261 IonicContact CZ-OD2 3.65Å; R248-D261 PolarHBondContact N-O 3.4Å; R248-D261 IonicContact NE-OD1 2.74Å; R248-D261 PolarHBondContact NE-OD1 2.94Å; R248-D261 IonicContact NE-OD2 2.96Å; R248-D261 PolarHBondContact NE-OD2 3.44Å; R248-D261 IonicContact NH2-OD1 2.7Å; R248-D261 PolarHBondContact NH2-OD1 3.38Å; R248-D261 IonicContact NH2-OD2 3.66Å; R248-D261 PolarHBondContact O-N 2.62Å; R248-E263 IonicContact CZ-OE1 3.35Å; R248-E263 IonicContact NH1-OE1 3.45Å; R248-E263 PolarHBondContact NH1-OE1 2.82Å; R248-E263 IonicContact NH2-OE1 2.73Å; R248-E263 PolarHBondContact NH2-OE1 3.41Å
249I93.1Very high91.4Very high34 Ų3457.3 Ų57.317%0.17429%0.291CS..EExtended strand (participates in β ladder)trans-113.3117.4173.3-60.9178.7000106.2I192 F195 I247 F251 L257I192-I249 HydrophobicContact CG1-CD1 4.21Å; I192-I249 HydrophobicContact CG2-CD1 4.48Å; F195-I249 HydrophobicContact CD2-CD1 3.93Å; I247-I249 HydrophobicContact CG2-CG1 4.12Å; I249-F251 HydrophobicContact CB-CE2 4.12Å; I249-F251 HydrophobicContact CG2-CD2 4.3Å; I249-F251 HydrophobicContact CG2-CE1 4.39Å; I249-F251 HydrophobicContact CG2-CE2 3.6Å; I249-F251 HydrophobicContact CG2-CZ 3.66Å; I249-L257 HydrophobicContact CG2-CD1 3.2Å
250H93.6Very high91.4Very high73 Ų7356.3 Ų56.334%0.33829%0.291SS..EExtended strand (participates in β ladder)trans-96.1132.9-177-58.3-81.6000109.5A258 S259 D261H250-A258 WeakPolarHBondContact O-CB 3.36Å; H250-A258 PolarHBondContact O-N 3.24Å; H250-S259 WeakPolarHBondContact CB-OG 3.39Å; H250-S259 PolarHBondContact CD2-OG 3.04Å; H250-S259 PolarHBondContact N-O 3.2Å; H250-S259 PolarHBondContact O-N 2.93Å; H250-D261 IonicContact CD2-OD2 3.72Å; H250-D261 IonicContact CE1-OD2 3.73Å; H250-D261 IonicContact NE2-OD2 2.76Å; H250-D261 PolarHBondContact NE2-OD2 3.08Å
251F92.4Very high91.4Very high40 Ų4058.1 Ų58.118%0.17530%0.3CS..EExtended strand (participates in β ladder)trans-113.8145.3176.6-62-94.2000110.2Y162 M165 F195 A199 I249 G255 K256 L257Y162-F251 HydrophobicContact CD2-CE1 4.11Å; Y162-F251 HydrophobicContact CD2-CZ 4.28Å; Y162-F251 AromaticContact CE2-CD1 3.97Å; Y162-F251 HydrophobicContact CE2-CD1 3.97Å; Y162-F251 AromaticContact CE2-CE1 3.85Å; Y162-F251 HydrophobicContact CE2-CE1 3.85Å; Y162-F251 HydrophobicContact CE2-CZ 4.47Å; M165-F251 HydrophobicContact CE-CB 3.69Å; M165-F251 HydrophobicContact CE-CD1 4.16Å; M165-F251 HydrophobicContact CE-CD2 3.64Å; M165-F251 HydrophobicContact CE-CE2 4.27Å; M165-F251 HydrophobicContact CE-CG 3.57Å; M165-F251 HydrophobicContact SD-CB 4.08Å; M165-F251 HydrophobicContact SD-CD2 3.39Å; M165-F251 WeakPolarHBondContact SD-CD2 3.47Å; M165-F251 HydrophobicContact SD-CE2 4.01Å; M165-F251 HydrophobicContact SD-CG 3.92Å; F195-F251 HydrophobicContact CB-CZ 4.13Å; F195-F251 HydrophobicContact CD1-CZ 4.23Å; F195-F251 HydrophobicContact CG-CZ 4.15Å; A199-F251 HydrophobicContact CB-CD1 4.33Å; A199-F251 HydrophobicContact CB-CE1 3.84Å; I249-F251 HydrophobicContact CB-CE2 4.12Å; I249-F251 HydrophobicContact CG2-CD2 4.3Å; I249-F251 HydrophobicContact CG2-CE1 4.39Å; I249-F251 HydrophobicContact CG2-CE2 3.6Å; I249-F251 HydrophobicContact CG2-CZ 3.66Å; F251-G255 WeakPolarHBondContact CD1-O 3.34Å; F251-K256 CarbonylContact C-O 3.48Å; F251-K256 WeakPolarHBondContact CA-O 2.85Å; F251-L257 HydrophobicContact CE1-CD1 4.45Å
252D90.9Very high91.4Very high41 Ų4159.5 Ų59.522%0.21930%0.304CS..  trans-74.2174.3172.881.8-0.3000111.4R254 G255 K256 A258D252-R254 PolarHBondContact O-N 3.45Å; D252-R254 VanDerWaalsContact OD1-CA 3.3Å; D252-R254 WeakPolarHBondContact OD1-CA 3.18Å; D252-R254 VanDerWaalsContact OD1-CB 3.31Å; D252-R254 WeakPolarHBondContact OD1-CB 3.5Å; D252-R254 PolarHBondContact OD1-N 2.76Å; D252-R254 IonicContact OD2-CZ 3.37Å; D252-R254 IonicContact OD2-NE 3.02Å; D252-R254 PolarHBondContact OD2-NE 2.74Å; D252-R254 IonicContact OD2-NH2 2.81Å; D252-R254 PolarHBondContact OD2-NH2 2.94Å; D252-G255 PolarHBondContact O-N 2.96Å; D252-G255 PolarHBondContact OD1-N 2.7Å; D252-G255 VanDerWaalsContact OD1-N 3.08Å; D252-K256 PolarHBondContact N-O 2.73Å; D252-K256 PolarHBondContact OD1-N 3.1Å; D252-A258 HydrophobicContact CB-CB 4.39Å
253T87.9Confident91.3Very high118 Ų11859.9 Ų59.972%0.72431%0.309SS*.THydrogen-bonded Turntrans-60.5-18.1-179.453.30000114.2R169R169-T253 PolarHBondContact NH1-O 3.33Å
254R88.3Confident91.3Very high181 Ų18162.4 Ų62.468%0.68333%0.327SS*.THydrogen-bonded Turntrans-95.60.5178.2-55.3173.2-66.1-167.9-3.8112.4D252D252-R254 PolarHBondContact O-N 3.45Å; D252-R254 VanDerWaalsContact OD1-CA 3.3Å; D252-R254 WeakPolarHBondContact OD1-CA 3.18Å; D252-R254 VanDerWaalsContact OD1-CB 3.31Å; D252-R254 WeakPolarHBondContact OD1-CB 3.5Å; D252-R254 PolarHBondContact OD1-N 2.76Å; D252-R254 IonicContact OD2-CZ 3.37Å; D252-R254 IonicContact OD2-NE 3.02Å; D252-R254 PolarHBondContact OD2-NE 2.74Å; D252-R254 IonicContact OD2-NH2 2.81Å; D252-R254 PolarHBondContact OD2-NH2 2.94Å
255G87.6Confident91.4Very high1 Ų165.8 Ų65.81%0.0133%0.33CS..SBendtrans80.912.1-177.300000114.7Y162 F251 D252Y162-G255 PolarHBondContact OH-O 2.95Å; F251-G255 WeakPolarHBondContact CD1-O 3.34Å; D252-G255 PolarHBondContact O-N 2.96Å; D252-G255 PolarHBondContact OD1-N 2.7Å; D252-G255 VanDerWaalsContact OD1-N 3.08Å
256K87.8Confident91.6Very high76 Ų7670.6 Ų70.633%0.3336%0.357SS..  trans-83.4149.4175.5-64.4-168.7174.1-166.50110.6F251 D252 A258F251-K256 CarbonylContact C-O 3.48Å; F251-K256 WeakPolarHBondContact CA-O 2.85Å; D252-K256 PolarHBondContact N-O 2.73Å; D252-K256 PolarHBondContact OD1-N 3.1Å; K256-A258 PolarHBondContact O-N 2.8Å
257L87.8Confident91.7Very high25 Ų2570 Ų7013%0.13136%0.358CS..EExtended strand (participates in β ladder)trans-61.5123.7175-173.269.2000110.1A199 L215 E216 I219 I249 F251A199-L257 HydrophobicContact CB-CB 4.29Å; L215-L257 HydrophobicContact CB-CD2 4.27Å; L215-L257 HydrophobicContact CD2-CD2 3.94Å; L215-L257 HydrophobicContact CD2-CG 3.81Å; L215-L257 HydrophobicContact CG-CD2 3.91Å; L215-L257 HydrophobicContact CG-CG 4.33Å; E216-L257 HydrophobicContact CB-CD2 4.43Å; E216-L257 HydrophobicContact CG-CD2 3.67Å; I219-L257 HydrophobicContact CD1-CD1 4.12Å; I219-L257 HydrophobicContact CD1-CD2 3.8Å; I219-L257 HydrophobicContact CD1-CG 4.44Å; I249-L257 HydrophobicContact CG2-CD1 3.2Å; F251-L257 HydrophobicContact CE1-CD1 4.45Å
258A89.4Confident91.9Very high55 Ų5570.9 Ų70.946%0.45536%0.361SS..EExtended strand (participates in β ladder)trans-108-49-176.500000112.3L215 H250 D252 K256L215-A258 WeakPolarHBondContact CD2-O 3.33Å; H250-A258 WeakPolarHBondContact O-CB 3.36Å; H250-A258 PolarHBondContact O-N 3.24Å; D252-A258 HydrophobicContact CB-CB 4.39Å; K256-A258 PolarHBondContact O-N 2.8Å
259S90.6Very high92Very high55 Ų5574.3 Ų74.339%0.38538%0.379SS..EExtended strand (participates in β ladder)trans-160.2173.3178.565.20000110.8H250H250-S259 WeakPolarHBondContact CB-OG 3.39Å; H250-S259 PolarHBondContact CD2-OG 3.04Å; H250-S259 PolarHBondContact N-O 3.2Å; H250-S259 PolarHBondContact O-N 2.93Å
260A91.3Very high92.2Very high36 Ų3675.9 Ų75.930%0.29839%0.393SS..EExtended strand (participates in β ladder)trans-148.6151.4170.800000110.6I219 R248I219-A260 HydrophobicContact CD1-CB 3.48Å; I219-A260 VanDerWaalsContact CD1-CB 3.48Å; I219-A260 HydrophobicContact CG1-CB 3.68Å; R248-A260 CarbonylContact O-C 3.6Å; R248-A260 WeakPolarHBondContact O-CA 3.31Å; R248-A260 WeakPolarHBondContact O-CB 3.01Å
261D93.1Very high92.4Very high43 Ų4372.8 Ų72.823%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-138.8156.7173.77079.7000111I247 R248 H250I247-D261 WeakPolarHBondContact CA-O 2.87Å; R248-D261 WeakPolarHBondContact CB-OD2 3.47Å; R248-D261 IonicContact CZ-OD1 3.12Å; R248-D261 IonicContact CZ-OD2 3.65Å; R248-D261 PolarHBondContact N-O 3.4Å; R248-D261 IonicContact NE-OD1 2.74Å; R248-D261 PolarHBondContact NE-OD1 2.94Å; R248-D261 IonicContact NE-OD2 2.96Å; R248-D261 PolarHBondContact NE-OD2 3.44Å; R248-D261 IonicContact NH2-OD1 2.7Å; R248-D261 PolarHBondContact NH2-OD1 3.38Å; R248-D261 IonicContact NH2-OD2 3.66Å; R248-D261 PolarHBondContact O-N 2.62Å; H250-D261 IonicContact CD2-OD2 3.72Å; H250-D261 IonicContact CE1-OD2 3.73Å; H250-D261 IonicContact NE2-OD2 2.76Å; H250-D261 PolarHBondContact NE2-OD2 3.08Å
262I92.1Very high92.6Very high60 Ų6074.3 Ų74.331%0.30839%0.391SS..EExtended strand (participates in β ladder)trans-130.5121.8-174.6-56.8175000108.4A222 L226 K245 F246 I247 T264A222-I262 HydrophobicContact CB-CD1 3.92Å; L226-I262 HydrophobicContact CD1-CD1 3.99Å; L226-I262 HydrophobicContact CD1-CG2 4.21Å; K245-I262 HydrophobicContact CD-CG2 4.24Å; K245-I262 VanDerWaalsContact CE-CG2 3.45Å; K245-I262 HydrophobicContact CG-CG2 3.77Å; F246-I262 CarbonylContact O-C 3.55Å; F246-I262 WeakPolarHBondContact O-CA 3.11Å; I247-I262 HydrophobicContact CG1-CG1 4.28Å; I247-I262 HydrophobicContact CG2-CG1 4.24Å; I262-T264 HydrophobicContact CG2-CG2 4.22Å
263E94.5Very high92.9Very high72 Ų7278.1 Ų78.134%0.33642%0.416SS..EExtended strand (participates in β ladder)trans-104.1136.9167.1-68.1-177-163.300109.6K245 F246 R248 Y265K245-E263 WeakPolarHBondContact CA-O 3.33Å; F246-E263 HydrophobicContact CB-CB 4.43Å; F246-E263 PolarHBondContact N-O 3.45Å; F246-E263 PolarHBondContact O-N 3.02Å; R248-E263 IonicContact CZ-OE1 3.35Å; R248-E263 IonicContact NH1-OE1 3.45Å; R248-E263 PolarHBondContact NH1-OE1 2.82Å; R248-E263 IonicContact NH2-OE1 2.73Å; R248-E263 PolarHBondContact NH2-OE1 3.41Å; E263-Y265 HydrophobicContact CB-CE1 4.37Å; E263-Y265 HydrophobicContact CB-CE2 4.14Å; E263-Y265 VanDerWaalsContact CB-OH 3.3Å; E263-Y265 WeakPolarHBondContact CB-OH 3.25Å; E263-Y265 PolarHBondContact OE2-OH 2.85Å
264T93.5Very high93.4Very high83 Ų8378.6 Ų78.651%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-118.3141.1-179.658.70000110.6F243 G244 I262F243-T264 HydrophobicContact CD2-CG2 3.94Å; F243-T264 HydrophobicContact CE2-CG2 3.97Å; G244-T264 CarbonylContact O-C 3.59Å; G244-T264 WeakPolarHBondContact O-CA 3.45Å; I262-T264 HydrophobicContact CG2-CG2 4.22Å
265Y93.9Very high93.8Very high105 Ų10573.5 Ų73.541%0.41239%0.392SS..EExtended strand (participates in β ladder)trans-131.2149.7-177.8-45.8-82.6000111F243 G244 F246 E263 L267F243-Y265 CarbonylContact C-O 3.55Å; G244-Y265 PolarHBondContact N-O 3.49Å; G244-Y265 PolarHBondContact O-N 2.79Å; F246-Y265 HydrophobicContact CB-CE2 3.61Å; E263-Y265 HydrophobicContact CB-CE1 4.37Å; E263-Y265 HydrophobicContact CB-CE2 4.14Å; E263-Y265 VanDerWaalsContact CB-OH 3.3Å; E263-Y265 WeakPolarHBondContact CB-OH 3.25Å; E263-Y265 PolarHBondContact OE2-OH 2.85Å; Y265-L267 PolarHBondContact O-N 3.27Å
266L94.9Very high94.2Very high164 Ų16477.9 Ų77.986%0.85942%0.415SS*.  trans51.151.1165.7-56.4176.7000114.6E268L266-E268 PolarHBondContact O-N 3.1Å
267L96.7Very high94.6Very high78 Ų7885.1 Ų85.141%0.40845%0.446SS..  trans-60.5131.2168.6-177.968.4000110R242 F243 Y265 K269 Y282R242-L267 WeakPolarHBondContact O-CA 2.96Å; F243-L267 HydrophobicContact CB-CB 4.34Å; F243-L267 HydrophobicContact CB-CD1 4Å; F243-L267 HydrophobicContact CD1-CD1 4.43Å; Y265-L267 PolarHBondContact O-N 3.27Å; L267-K269 PolarHBondContact O-N 2.66Å; L267-Y282 HydrophobicContact CD1-CE1 4.2Å; L267-Y282 WeakPolarHBondContact CD1-OH 3.49Å
268E96.4Very high94.9Very high51 Ų5186.4 Ų86.424%0.23846%0.46CS..  trans-70.172.6176.5-170.3-175.6-139.900112.2R242 L266 S270 R271 Y282R242-E268 HydrophobicContact CB-CB 3.94Å; R242-E268 IonicContact CZ-OE1 3.59Å; R242-E268 IonicContact CZ-OE2 3.79Å; R242-E268 IonicContact NE-OE1 2.59Å; R242-E268 IonicContact NE-OE2 3.72Å; R242-E268 PolarHBondContact NE-OE2 3.42Å; R242-E268 IonicContact NH2-OE1 3.76Å; R242-E268 PolarHBondContact NH2-OE1 3.08Å; R242-E268 IonicContact NH2-OE2 2.69Å; R242-E268 PolarHBondContact NH2-OE2 3.04Å; R242-E268 VanDerWaalsContact NH2-OE2 3.14Å; R242-E268 PolarHBondContact O-N 3.16Å; L266-E268 PolarHBondContact O-N 3.1Å; E268-S270 PolarHBondContact O-N 2.99Å; E268-S270 VanDerWaalsContact O-N 3.09Å; E268-R271 HydrophobicContact CG-CB 4.31Å; E268-R271 WeakPolarHBondContact O-CB 3.33Å; E268-R271 PolarHBondContact O-N 3.32Å; E268-R271 IonicContact OE1-NH2 2.86Å; E268-R271 PolarHBondContact OE1-NH2 2.81Å; E268-R271 IonicContact OE2-CZ 2.77Å; E268-R271 VanDerWaalsContact OE2-CZ 3.23Å; E268-R271 IonicContact OE2-NE 3.46Å; E268-R271 PolarHBondContact OE2-NE 2.91Å; E268-R271 IonicContact OE2-NH2 3.29Å; E268-R271 PolarHBondContact OE2-NH2 3.27Å; E268-Y282 PolarHBondContact O-OH 3.04Å
269K96.8Very high95.3Very high169 Ų16985.5 Ų85.574%0.73545%0.447SS*.G310 helixtrans-55.1-31.6-175.2-64.2-177.1-178.6-178.40114L267 R271 V272L267-K269 PolarHBondContact O-N 2.66Å; K269-R271 PolarHBondContact O-N 3.24Å; K269-V272 PolarHBondContact O-N 3.43Å
270S97.2Very high95.6Very high68 Ų6887.7 Ų87.748%0.47645%0.447SS..G310 helixtrans-58.8-30.9179.253.30000112.9E268 V272 T273 F274E268-S270 PolarHBondContact O-N 2.99Å; E268-S270 VanDerWaalsContact O-N 3.09Å; S270-V272 PolarHBondContact O-N 2.78Å; S270-T273 PolarHBondContact O-N 3.19Å; S270-T273 PolarHBondContact O-OG1 3.04Å; S270-T273 VanDerWaalsContact O-OG1 3.1Å; S270-F274 PolarHBondContact O-N 3.34Å
271R97.4Very high96Very high8 Ų886.7 Ų86.73%0.0344%0.436CS..G310 helixtrans-59.7-29.5-177.4-176.3168.4-62.7-83.4-9.8113.6A232 E268 K269 T273 F274 Q275 E279 R280 Y282A232-R271 VanDerWaalsContact CB-CD 3.46Å; E268-R271 HydrophobicContact CG-CB 4.31Å; E268-R271 WeakPolarHBondContact O-CB 3.33Å; E268-R271 PolarHBondContact O-N 3.32Å; E268-R271 IonicContact OE1-NH2 2.86Å; E268-R271 PolarHBondContact OE1-NH2 2.81Å; E268-R271 IonicContact OE2-CZ 2.77Å; E268-R271 VanDerWaalsContact OE2-CZ 3.23Å; E268-R271 IonicContact OE2-NE 3.46Å; E268-R271 PolarHBondContact OE2-NE 2.91Å; E268-R271 IonicContact OE2-NH2 3.29Å; E268-R271 PolarHBondContact OE2-NH2 3.27Å; K269-R271 PolarHBondContact O-N 3.24Å; R271-T273 PolarHBondContact O-N 2.82Å; R271-F274 WeakPolarHBondContact CA-O 3.08Å; R271-Q275 PolarHBondContact O-NE2 2.83Å; R271-E279 IonicContact CZ-OE2 2.74Å; R271-E279 VanDerWaalsContact CZ-OE2 3.29Å; R271-E279 IonicContact NH1-OE2 2.69Å; R271-E279 PolarHBondContact NH1-OE2 2.86Å; R271-E279 IonicContact NH2-OE2 3.31Å; R271-E279 PolarHBondContact NH2-OE2 3.29Å; R271-R280 PolarHBondContact NH1-O 3.24Å; R271-Y282 HydrophobicContact CB-CE2 4.1Å; R271-Y282 HydrophobicContact CG-CE2 4.35Å
272V97.5Very high96.2Very high71 Ų7185 Ų8543%0.4343%0.426SS..G310 helixtrans-62.1-27.4177.6-1780000111.9K269 S270 Y282 F285K269-V272 PolarHBondContact O-N 3.43Å; S270-V272 PolarHBondContact O-N 2.78Å; V272-Y282 HydrophobicContact CG2-CD2 4.07Å; V272-Y282 HydrophobicContact CG2-CE2 3.75Å; V272-F285 HydrophobicContact CG1-CZ 4.36Å
273T97.1Very high96.5Very high122 Ų12283.1 Ų83.175%0.74842%0.416SS*.THydrogen-bonded Turntrans-117.2-12.9-174.256.80000113.5S270 R271S270-T273 PolarHBondContact O-N 3.19Å; S270-T273 PolarHBondContact O-OG1 3.04Å; S270-T273 VanDerWaalsContact O-OG1 3.1Å; R271-T273 PolarHBondContact O-N 2.82Å
274F97.2Very high96.7Very high128 Ų12881 Ų8156%0.56141%0.407SS*.  trans-147132.9-173.2177.5-96.4000111.6S270 R271 L276S270-F274 PolarHBondContact O-N 3.34Å; R271-F274 WeakPolarHBondContact CA-O 3.08Å; F274-L276 HydrophobicContact CE1-CD2 3.93Å; F274-L276 HydrophobicContact CE1-CG 4.28Å; F274-L276 HydrophobicContact CZ-CD2 3.96Å
275Q97.6Very high96.9Very high74 Ų7481.3 Ų81.335%0.34640%0.401SS..  trans-135.7141.9174.8-50.581.227.600110.4R271 D281R271-Q275 PolarHBondContact O-NE2 2.83Å; Q275-D281 HydrophobicContact CG-CB 4.22Å; Q275-D281 PolarHBondContact NE2-OD2 3.28Å
276L96.2Very high97.1Very high93 Ų9380.4 Ų80.449%0.48740%0.398SS..  trans-71.7156.7169-65.7174.6000110.3F274 A278 E279F274-L276 HydrophobicContact CE1-CD2 3.93Å; F274-L276 HydrophobicContact CE1-CG 4.28Å; F274-L276 HydrophobicContact CZ-CD2 3.96Å; L276-A278 PolarHBondContact O-N 3.47Å; L276-E279 HydrophobicContact CB-CB 4.43Å; L276-E279 HydrophobicContact CB-CG 4.19Å; L276-E279 PolarHBondContact O-N 2.95Å
277K95.1Very high97.2Very high228 Ų22877.2 Ų77.299%0.99138%0.379SS*.THydrogen-bonded Turntrans-51.5-32.2-174.9-71.3-174.9177.9-179.70115.1
278A95.4Very high97.2Very high51 Ų5177 Ų7742%0.42138%0.377SS..THydrogen-bonded Turntrans-106.417.1-178.700000112.9K233 I235 L276K233-A278 PolarHBondContact NZ-O 3.47Å; I235-A278 HydrophobicContact CG1-CB 4.24Å; L276-A278 PolarHBondContact O-N 3.47Å
279E96.9Very high97.3Very high36 Ų3681.5 Ų81.517%0.16840%0.402CS..  trans-121.5164.6177.1-60.7-154.5153.200111.1K233 T234 I235 R271 L276K233-E279 WeakPolarHBondContact O-CA 3.35Å; T234-E279 WeakPolarHBondContact CA-OE1 3.49Å; T234-E279 WeakPolarHBondContact CB-OE1 3.3Å; I235-E279 HydrophobicContact CG1-CG 4.1Å; I235-E279 PolarHBondContact N-OE1 3.45Å; R271-E279 IonicContact CZ-OE2 2.74Å; R271-E279 VanDerWaalsContact CZ-OE2 3.29Å; R271-E279 IonicContact NH1-OE2 2.69Å; R271-E279 PolarHBondContact NH1-OE2 2.86Å; R271-E279 IonicContact NH2-OE2 3.31Å; R271-E279 PolarHBondContact NH2-OE2 3.29Å; L276-E279 HydrophobicContact CB-CB 4.43Å; L276-E279 HydrophobicContact CB-CG 4.19Å; L276-E279 PolarHBondContact O-N 2.95Å
280R97.5Very high97.3Very high102 Ų10276.7 Ų76.739%0.38539%0.39SS..  trans-118.3164.7173.8-69.1-164.8-65167.5-0.5110.8K233 R271 Y286K233-R280 HydrophobicContact CB-CB 4.09Å; K233-R280 HydrophobicContact CB-CG 4.27Å; K233-R280 PolarHBondContact O-N 2.86Å; R271-R280 PolarHBondContact NH1-O 3.24Å; R280-Y286 HydrophobicContact CB-CE2 3.72Å; R280-Y286 WeakPolarHBondContact CB-OH 3.44Å; R280-Y286 HydrophobicContact CG-CE2 4.37Å
281D98.2Very high97.2Very high14 Ų1478.9 Ų78.98%0.07540%0.396CS..  trans-68.7-176.1164.5-152.2-23.4000110.3A232 Q275 F285 Y286A232-D281 WeakPolarHBondContact CB-O 3.41Å; Q275-D281 HydrophobicContact CG-CB 4.22Å; Q275-D281 PolarHBondContact NE2-OD2 3.28Å; D281-F285 HydrophobicContact CB-CD2 4Å; D281-F285 HydrophobicContact CB-CE2 4.48Å; D281-F285 WeakPolarHBondContact OD1-CE2 3.41Å; D281-F285 WeakPolarHBondContact OD2-CE2 3.37Å; D281-Y286 HydrophobicContact CB-CE2 4.01Å; D281-Y286 PolarHBondContact N-OH 3.16Å; D281-Y286 WeakPolarHBondContact O-CE2 3.45Å
282Y98.4Very high97.2Very high7 Ų787 Ų873%0.02743%0.432CS..BIsolated β-bridgetrans-59.5146.1174.7-64.8-65.7000112.2F229 N231 A232 R242 L267 E268 R271 V272 I284 F285 Y286F229-Y282 WeakPolarHBondContact O-CD1 3.34Å; N231-Y282 WeakPolarHBondContact O-CA 3.44Å; N231-Y282 WeakPolarHBondContact O-CD1 3.36Å; A232-Y282 HydrophobicContact CB-CD1 4.35Å; R242-Y282 HydrophobicContact CB-CE1 4Å; R242-Y282 HydrophobicContact CG-CE1 4.18Å; L267-Y282 HydrophobicContact CD1-CE1 4.2Å; L267-Y282 WeakPolarHBondContact CD1-OH 3.49Å; E268-Y282 PolarHBondContact O-OH 3.04Å; R271-Y282 HydrophobicContact CB-CE2 4.1Å; R271-Y282 HydrophobicContact CG-CE2 4.35Å; V272-Y282 HydrophobicContact CG2-CD2 4.07Å; V272-Y282 HydrophobicContact CG2-CE2 3.75Å; Y282-I284 PolarHBondContact O-N 3.25Å; Y282-I284 VanDerWaalsContact O-N 3.12Å; Y282-F285 HydrophobicContact CD2-CE2 4.49Å; Y282-F285 PolarHBondContact O-N 3.32Å; Y282-Y286 WeakPolarHBondContact O-CD2 2.97Å
283H98.1Very high97.2Very high21 Ų2189 Ų8910%0.09744%0.435CS..Hα-helixtrans-56.9-34-172.9-63.6-42.3000113.4E227 A228 N231 D238 N239 F285 Y286 Q287E227-H283 PolarHBondContact O-CD2 3.15Å; A228-H283 PolarHBondContact O-N 3.15Å; N231-H283 PolarHBondContact O-CD2 2.93Å; N231-H283 PolarHBondContact O-N 3.48Å; N231-H283 VanDerWaalsContact O-N 3.15Å; D238-H283 PolarHBondContact O-CE1 2.81Å; N239-H283 PolarHBondContact OD1-NE2 2.87Å; H283-F285 VanDerWaalsContact C-N 3.26Å; H283-F285 PolarHBondContact O-N 2.81Å; H283-Y286 PolarHBondContact O-N 2.93Å; H283-Y286 VanDerWaalsContact O-N 3.11Å; H283-Q287 WeakPolarHBondContact O-CG 3.39Å; H283-Q287 PolarHBondContact O-N 3.29Å
284I98Very high97Very high28 Ų2887.6 Ų87.614%0.14443%0.428CS..Hα-helixtrans-55.2-38.9-175.2-172.862.1000112.9A228 F229 Y282 Y286 Q287 I288A228-I284 HydrophobicContact CB-CB 4.37Å; A228-I284 HydrophobicContact CB-CD1 4.4Å; A228-I284 WeakPolarHBondContact O-CB 3.46Å; A228-I284 PolarHBondContact O-N 3.04Å; F229-I284 HydrophobicContact CD1-CB 4.2Å; F229-I284 HydrophobicContact CD1-CG1 4.19Å; F229-I284 HydrophobicContact CD1-CG2 3.87Å; F229-I284 HydrophobicContact CE1-CB 4.18Å; F229-I284 HydrophobicContact CE1-CD1 4.32Å; F229-I284 HydrophobicContact CE1-CG1 3.65Å; F229-I284 HydrophobicContact CE1-CG2 4.11Å; F229-I284 HydrophobicContact CE2-CD1 4.33Å; F229-I284 HydrophobicContact CE2-CG1 4.45Å; F229-I284 HydrophobicContact CZ-CD1 3.93Å; F229-I284 HydrophobicContact CZ-CG1 3.79Å; Y282-I284 PolarHBondContact O-N 3.25Å; Y282-I284 VanDerWaalsContact O-N 3.12Å; I284-Y286 PolarHBondContact O-N 3.17Å; I284-Q287 PolarHBondContact O-N 3.13Å; I284-I288 HydrophobicContact CD1-CD1 4.1Å; I284-I288 HydrophobicContact CD1-CG1 4.12Å; I284-I288 HydrophobicContact CG1-CD1 3.83Å; I284-I288 HydrophobicContact CG1-CG1 4.3Å; I284-I288 WeakPolarHBondContact O-CG1 3.35Å; I284-I288 PolarHBondContact O-N 3.15Å
285F98Very high96.9Very high89 Ų8988.2 Ų88.239%0.3943%0.432SS..Hα-helixtrans-61.7-45.8179.7-63.9-69.4000111.4V272 D281 Y282 H283 L289V272-F285 HydrophobicContact CG1-CZ 4.36Å; D281-F285 HydrophobicContact CB-CD2 4Å; D281-F285 HydrophobicContact CB-CE2 4.48Å; D281-F285 WeakPolarHBondContact OD1-CE2 3.41Å; D281-F285 WeakPolarHBondContact OD2-CE2 3.37Å; Y282-F285 HydrophobicContact CD2-CE2 4.49Å; Y282-F285 PolarHBondContact O-N 3.32Å; H283-F285 VanDerWaalsContact C-N 3.26Å; H283-F285 PolarHBondContact O-N 2.81Å; F285-L289 WeakPolarHBondContact O-CB 3.22Å; F285-L289 VanDerWaalsContact O-CG 3.27Å; F285-L289 WeakPolarHBondContact O-CG 3.19Å; F285-L289 PolarHBondContact O-N 3.03Å; F285-L289 VanDerWaalsContact O-N 3.1Å
286Y97.8Very high96.4Very high86 Ų8691 Ų9134%0.33745%0.448SS..Hα-helixtrans-73.8-29.8178.3-50.3-79.6000112.6R280 D281 Y282 H283 I284 S290R280-Y286 HydrophobicContact CB-CE2 3.72Å; R280-Y286 WeakPolarHBondContact CB-OH 3.44Å; R280-Y286 HydrophobicContact CG-CE2 4.37Å; D281-Y286 HydrophobicContact CB-CE2 4.01Å; D281-Y286 PolarHBondContact N-OH 3.16Å; D281-Y286 WeakPolarHBondContact O-CE2 3.45Å; Y282-Y286 WeakPolarHBondContact O-CD2 2.97Å; H283-Y286 PolarHBondContact O-N 2.93Å; H283-Y286 VanDerWaalsContact O-N 3.11Å; I284-Y286 PolarHBondContact O-N 3.17Å; Y286-S290 PolarHBondContact O-N 3.35Å; Y286-S290 VanDerWaalsContact O-N 3.1Å
287Q97.5Very high96.4Very high98 Ų9890.9 Ų90.946%0.45845%0.446SS..Hα-helixtrans-67-43.6174.7-73.4172.7-7.700111.3H283 I284 S290H283-Q287 WeakPolarHBondContact O-CG 3.39Å; H283-Q287 PolarHBondContact O-N 3.29Å; I284-Q287 PolarHBondContact O-N 3.13Å; Q287-S290 VanDerWaalsContact O-CB 3.27Å; Q287-S290 WeakPolarHBondContact O-CB 3.32Å; Q287-S290 PolarHBondContact O-N 2.87Å; Q287-S290 PolarHBondContact O-OG 3.2Å
288I97.6Very high96.5Very high74 Ų7483.6 Ų83.638%0.37942%0.417SS..Hα-helixtrans-62.1-49.2174.5-69168.3000109.7I284 S290 I296I284-I288 HydrophobicContact CD1-CD1 4.1Å; I284-I288 HydrophobicContact CD1-CG1 4.12Å; I284-I288 HydrophobicContact CG1-CD1 3.83Å; I284-I288 HydrophobicContact CG1-CG1 4.3Å; I284-I288 WeakPolarHBondContact O-CG1 3.35Å; I284-I288 PolarHBondContact O-N 3.15Å; I288-S290 PolarHBondContact O-N 2.81Å; I288-I296 HydrophobicContact CG1-CG2 4.45Å; I288-I296 HydrophobicContact CG2-CG2 3.95Å
289L97.7Very high96.6Very high144 Ų14485.4 Ų85.475%0.75442%0.417SS*.THydrogen-bonded Turntrans-68.6-3.7179.2-66.7172.8000114.8F285 N291F285-L289 WeakPolarHBondContact O-CB 3.22Å; F285-L289 VanDerWaalsContact O-CG 3.27Å; F285-L289 WeakPolarHBondContact O-CG 3.19Å; F285-L289 PolarHBondContact O-N 3.03Å; F285-L289 VanDerWaalsContact O-N 3.1Å; L289-N291 PolarHBondContact O-N 2.82Å
290S97.3Very high96.5Very high69 Ų6988.4 Ų88.448%0.48343%0.432SS..THydrogen-bonded Turntrans-69.2-12.5178.773.30000113.8Y286 Q287 I288 K292Y286-S290 PolarHBondContact O-N 3.35Å; Y286-S290 VanDerWaalsContact O-N 3.1Å; Q287-S290 VanDerWaalsContact O-CB 3.27Å; Q287-S290 WeakPolarHBondContact O-CB 3.32Å; Q287-S290 PolarHBondContact O-N 2.87Å; Q287-S290 PolarHBondContact O-OG 3.2Å; I288-S290 PolarHBondContact O-N 2.81Å; S290-K292 PolarHBondContact O-N 2.88Å; S290-K292 VanDerWaalsContact O-N 3.11Å; S290-K292 WeakPolarHBondContact OG-CB 3.32Å; S290-K292 PolarHBondContact OG-N 3.08Å
291N95.6Very high96.5Very high113 Ų11387.5 Ų87.560%0.60443%0.434SS*.  trans57.520.3-175.1-160.729.4000113.7L289 K293 P294L289-N291 PolarHBondContact O-N 2.82Å; N291-K293 PolarHBondContact O-N 3.02Å; N291-P294 WeakPolarHBondContact OD1-CA 3.31Å; N291-P294 WeakPolarHBondContact OD1-CB 3.28Å
292K97.3Very high96.4Very high178 Ų17892.4 Ų92.477%0.77446%0.458SS*.SBendtrans-67.9-28.9174.6-175.460.3176.5-176.60112S290S290-K292 PolarHBondContact O-N 2.88Å; S290-K292 VanDerWaalsContact O-N 3.11Å; S290-K292 WeakPolarHBondContact OG-CB 3.32Å; S290-K292 PolarHBondContact OG-N 3.08Å
293K95.9Very high96.2Very high115 Ų11598.5 Ų98.550%0.549%0.489SS..SBendtrans-124.185.5173.3-66-167.966.7168.50108.1N291 E295 I296N291-K293 PolarHBondContact O-N 3.02Å; K293-E295 WeakPolarHBondContact CA-OE2 3.42Å; K293-E295 WeakPolarHBondContact CE-OE1 3.3Å; K293-E295 IonicContact NZ-OE1 3.91Å; K293-E295 PolarHBondContact O-N 2.98Å; K293-E295 VanDerWaalsContact O-N 3.1Å; K293-I296 HydrophobicContact CB-CD1 3.89Å; K293-I296 HydrophobicContact CB-CG1 4.09Å; K293-I296 HydrophobicContact CD-CD1 3.91Å; K293-I296 PolarHBondContact O-N 3.07Å; K293-I296 VanDerWaalsContact O-N 3.11Å
294P94.8Very high96.1Very high92 Ų92104.5 Ų104.560%0.59752%0.519SS*.THydrogen-bonded Turntrans-62-16.4-173.6-22.733.9000114.6N291 I296N291-P294 WeakPolarHBondContact OD1-CA 3.31Å; N291-P294 WeakPolarHBondContact OD1-CB 3.28Å; P294-I296 VanDerWaalsContact C-N 3.27Å
295E94.8Very high95.9Very high140 Ų140110.8 Ų110.865%0.65455%0.551SS**THydrogen-bonded Turntrans-76.3-10176.672.7-82.1-167.700114.4K293K293-E295 WeakPolarHBondContact CA-OE2 3.42Å; K293-E295 WeakPolarHBondContact CE-OE1 3.3Å; K293-E295 IonicContact NZ-OE1 3.91Å; K293-E295 PolarHBondContact O-N 2.98Å; K293-E295 VanDerWaalsContact O-N 3.1Å
296I87Confident95.7Very high132 Ų132112.8 Ų112.868%0.67757%0.565SS**  trans-100.40175-55.2-179.5000108.6I288 K293 P294I288-I296 HydrophobicContact CG1-CG2 4.45Å; I288-I296 HydrophobicContact CG2-CG2 3.95Å; K293-I296 HydrophobicContact CB-CD1 3.89Å; K293-I296 HydrophobicContact CB-CG1 4.09Å; K293-I296 HydrophobicContact CD-CD1 3.91Å; K293-I296 PolarHBondContact O-N 3.07Å; K293-I296 VanDerWaalsContact O-N 3.11Å; P294-I296 VanDerWaalsContact C-N 3.27Å

Retrieved 296 of 296 residues in 61.4 ms (Link to these results)

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