A0A087WUF8_HUMAN Loading...

Aldehyde dehydrogenase 3 family member B1

AlphaFold DB , UniProt , Accession A0A087WUF8, Species HUMAN (Homo sapiens, Human), Gene ALDH3B1, Length 169 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
1M55Low84.1Confident211 Ų21180.9 Ų80.9100%1.03941%0.406SS*.  01380-75-158-104.500107.4P3M1-P3 WeakPolarHBondContact O-CD 3.22Å
2D73.3Confident84.9Confident102 Ų10284.8 Ų84.855%0.54541%0.412SS..  trans-77.7108.1176.7170.120.5000109.2L4 G5 D6D2-L4 PolarHBondContact O-N 3.11Å; D2-L4 WeakPolarHBondContact OD1-CB 3.04Å; D2-L4 PolarHBondContact OD1-N 3.04Å; D2-L4 VanDerWaalsContact OD1-N 3.13Å; D2-G5 PolarHBondContact O-N 3.04Å; D2-G5 VanDerWaalsContact O-N 3.13Å; D2-G5 PolarHBondContact OD2-N 2.83Å; D2-G5 VanDerWaalsContact OD2-N 3.1Å; D2-D6 PolarHBondContact O-N 3Å; D2-D6 VanDerWaalsContact O-N 3.15Å
3P80.5Confident85.6Confident99 Ų9986.8 Ų86.864%0.64342%0.42SS*.Hα-helixtrans-61.1-27.5-175.9-21.634.8000113.2M1 T7M1-P3 WeakPolarHBondContact O-CD 3.22Å; P3-T7 WeakPolarHBondContact O-CB 3.43Å; P3-T7 PolarHBondContact O-N 2.65Å; P3-T7 PolarHBondContact O-OG1 3.01Å
4L83.8Confident86Confident62 Ų6281.3 Ų81.333%0.32540%0.396SS..Hα-helixtrans-72.5-48.4175.8-179.761.2000110.2D2 D6 T7 L8 A166 L168D2-L4 PolarHBondContact O-N 3.11Å; D2-L4 WeakPolarHBondContact OD1-CB 3.04Å; D2-L4 PolarHBondContact OD1-N 3.04Å; D2-L4 VanDerWaalsContact OD1-N 3.13Å; L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.42Å; L4-T7 WeakPolarHBondContact O-CB 3.11Å; L4-T7 PolarHBondContact O-N 3.06Å; L4-L8 HydrophobicContact CD1-CD1 4.48Å; L4-L8 HydrophobicContact CD1-CD2 4.41Å; L4-L8 HydrophobicContact CD1-CG 4.23Å; L4-L8 HydrophobicContact CG-CD1 4.19Å; L4-L8 HydrophobicContact CG-CG 4.35Å; L4-L8 WeakPolarHBondContact O-CG 3.39Å; L4-L8 PolarHBondContact O-N 3.15Å; L4-A166 HydrophobicContact CD1-CB 4.43Å; L4-L168 HydrophobicContact CD2-CD2 4.01Å
5G88.3Confident86.6Confident23 Ų2377.5 Ų77.524%0.23738%0.377CS..Hα-helixtrans-51.9-44.9175.400000113.3D2 T7 L8 R9D2-G5 PolarHBondContact O-N 3.04Å; D2-G5 VanDerWaalsContact O-N 3.13Å; D2-G5 PolarHBondContact OD2-N 2.83Å; D2-G5 VanDerWaalsContact OD2-N 3.1Å; G5-T7 PolarHBondContact O-N 2.74Å; G5-L8 PolarHBondContact O-N 3.13Å; G5-R9 WeakPolarHBondContact O-CB 3.32Å; G5-R9 PolarHBondContact O-N 3.13Å
6D88.5Confident87.2Confident47 Ų4781.9 Ų81.925%0.25140%0.396SS..Hα-helixtrans-67.4-35.6177.8-69.8-27.8000112.9D2 L4 R9 R10D2-D6 PolarHBondContact O-N 3Å; D2-D6 VanDerWaalsContact O-N 3.15Å; L4-D6 VanDerWaalsContact C-N 3.29Å; L4-D6 PolarHBondContact O-N 3.42Å; D6-R9 PolarHBondContact O-N 2.87Å; D6-R9 IonicContact OD1-CZ 3.62Å; D6-R9 IonicContact OD1-NE 3.68Å; D6-R9 IonicContact OD1-NH2 2.74Å; D6-R9 PolarHBondContact OD1-NH2 3.48Å; D6-R10 WeakPolarHBondContact O-CG 3.3Å; D6-R10 PolarHBondContact O-N 3.04Å; D6-R10 VanDerWaalsContact O-N 3.12Å
7T88.1Confident87.6Confident24 Ų2481.6 Ų81.615%0.14741%0.41CS..Hα-helixtrans-66.4-47.1175.1-66.70000112P3 L4 G5 R9 R10 L11 V164P3-T7 WeakPolarHBondContact O-CB 3.43Å; P3-T7 PolarHBondContact O-N 2.65Å; P3-T7 PolarHBondContact O-OG1 3.01Å; L4-T7 WeakPolarHBondContact O-CB 3.11Å; L4-T7 PolarHBondContact O-N 3.06Å; G5-T7 PolarHBondContact O-N 2.74Å; T7-R9 VanDerWaalsContact C-N 3.26Å; T7-R9 PolarHBondContact O-N 3.25Å; T7-R10 PolarHBondContact O-N 3.3Å; T7-R10 PolarHBondContact OG1-NH2 2.91Å; T7-R10 VanDerWaalsContact OG1-NH2 3.15Å; T7-L11 PolarHBondContact O-N 3.41Å; T7-L11 VanDerWaalsContact O-N 3.11Å; T7-V164 HydrophobicContact CG2-CB 3.79Å; T7-V164 HydrophobicContact CG2-CG1 3.36Å; T7-V164 HydrophobicContact CG2-CG2 3.89Å
8L91.8Very high87.9Confident39 Ų3978 Ų7820%0.20440%0.397CS..Hα-helixtrans-62-36.9177.3-62.7178.1000111.5L4 G5 R12 L107 V136L4-L8 HydrophobicContact CD1-CD1 4.48Å; L4-L8 HydrophobicContact CD1-CD2 4.41Å; L4-L8 HydrophobicContact CD1-CG 4.23Å; L4-L8 HydrophobicContact CG-CD1 4.19Å; L4-L8 HydrophobicContact CG-CG 4.35Å; L4-L8 WeakPolarHBondContact O-CG 3.39Å; L4-L8 PolarHBondContact O-N 3.15Å; G5-L8 PolarHBondContact O-N 3.13Å; L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 3.18Å; L8-R12 VanDerWaalsContact O-N 3.1Å; L8-L107 HydrophobicContact CB-CD2 4.49Å; L8-L107 HydrophobicContact CD2-CD2 4.09Å; L8-V136 HydrophobicContact CD2-CG2 3.75Å
9R92.9Very high88.2Confident134 Ų13480.3 Ų80.351%0.50640%0.4SS..Hα-helixtrans-60.9-51.5175.4-163.5-163.1-39.2-111.61.4111.5G5 D6 T7 L11 R12 E13G5-R9 WeakPolarHBondContact O-CB 3.32Å; G5-R9 PolarHBondContact O-N 3.13Å; D6-R9 PolarHBondContact O-N 2.87Å; D6-R9 IonicContact OD1-CZ 3.62Å; D6-R9 IonicContact OD1-NE 3.68Å; D6-R9 IonicContact OD1-NH2 2.74Å; D6-R9 PolarHBondContact OD1-NH2 3.48Å; T7-R9 VanDerWaalsContact C-N 3.26Å; T7-R9 PolarHBondContact O-N 3.25Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.49Å; R9-R12 PolarHBondContact O-N 3.06Å; R9-R12 VanDerWaalsContact O-N 3.15Å; R9-E13 WeakPolarHBondContact O-CG 3.17Å; R9-E13 PolarHBondContact O-N 3.12Å
10R91.2Very high88.6Confident147 Ų14776.4 Ų76.456%0.55538%0.381SS*.Hα-helixtrans-58.3-41.6178.9-73.1-176-63.9144.20112.7D6 T7 E13 A14D6-R10 WeakPolarHBondContact O-CG 3.3Å; D6-R10 PolarHBondContact O-N 3.04Å; D6-R10 VanDerWaalsContact O-N 3.12Å; T7-R10 PolarHBondContact O-N 3.3Å; T7-R10 PolarHBondContact OG1-NH2 2.91Å; T7-R10 VanDerWaalsContact OG1-NH2 3.15Å; R10-E13 PolarHBondContact O-N 3.06Å; R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.48Å
11L91.7Very high88.9Confident2 Ų279.6 Ų79.61%0.0139%0.388CS..Hα-helixtrans-63.8-43.5176.7-76.5180000112.1T7 R9 A14 F15 L107 C134 V136 G161 V164T7-L11 PolarHBondContact O-N 3.41Å; T7-L11 VanDerWaalsContact O-N 3.11Å; R9-L11 VanDerWaalsContact C-N 3.32Å; R9-L11 PolarHBondContact O-N 3.49Å; L11-A14 PolarHBondContact O-N 3.28Å; L11-F15 PolarHBondContact O-N 3.15Å; L11-L107 HydrophobicContact CB-CD1 3.91Å; L11-L107 HydrophobicContact CB-CD2 4.42Å; L11-L107 HydrophobicContact CD1-CD1 3.69Å; L11-L107 HydrophobicContact CG-CD1 4.43Å; L11-C134 HydrophobicContact CB-CB 4.33Å; L11-C134 HydrophobicContact CD2-CB 4.22Å; L11-C134 PolarHBondContact O-SG 3.18Å; L11-V136 HydrophobicContact CD1-CG2 3.68Å; L11-G161 VanDerWaalsContact CD2-O 3.28Å; L11-G161 WeakPolarHBondContact CD2-O 3.4Å; L11-V164 HydrophobicContact CD1-CB 3.99Å; L11-V164 HydrophobicContact CD1-CG2 3.83Å; L11-V164 HydrophobicContact CD2-CG2 3.79Å; L11-V164 HydrophobicContact CG-CG2 3.89Å
12R93.9Very high90.9Very high127 Ų12772.5 Ų72.548%0.47936%0.358SS..Hα-helixtrans-62.2-43.8175.6-71.4174.7-174.8133.9-0.2111.3L8 R9 F15 H16 L107L8-R12 WeakPolarHBondContact O-CG 3.47Å; L8-R12 PolarHBondContact O-N 3.18Å; L8-R12 VanDerWaalsContact O-N 3.1Å; R9-R12 PolarHBondContact O-N 3.06Å; R9-R12 VanDerWaalsContact O-N 3.15Å; R12-F15 PolarHBondContact O-N 2.91Å; R12-H16 WeakPolarHBondContact O-CB 3.45Å; R12-H16 PolarHBondContact O-CD2 2.87Å; R12-H16 PolarHBondContact O-N 3.4Å; R12-L107 HydrophobicContact CG-CB 4.4Å; R12-L107 HydrophobicContact CG-CD2 3.88Å
13E94.3Very high92Very high111 Ų11168.4 Ų68.452%0.51934%0.339SS..Hα-helixtrans-61-44.7176.5-72.1167.3-179.200111.8R9 R10 F15 H16 A17R9-E13 WeakPolarHBondContact O-CG 3.17Å; R9-E13 PolarHBondContact O-N 3.12Å; R10-E13 PolarHBondContact O-N 3.06Å; E13-F15 VanDerWaalsContact C-N 3.33Å; E13-F15 PolarHBondContact O-N 3.36Å; E13-H16 PolarHBondContact O-N 2.71Å; E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 3.22Å
14A91.1Very high92.8Very high10 Ų1069.4 Ų69.48%0.08334%0.335CS..Hα-helixtrans-61.2-41.1176.300000112.3R10 L11 R19 G161R10-A14 WeakPolarHBondContact O-CB 3.38Å; R10-A14 PolarHBondContact O-N 3.48Å; L11-A14 PolarHBondContact O-N 3.28Å; A14-R19 PolarHBondContact O-N 2.95Å; A14-G161 VanDerWaalsContact CB-O 3.3Å; A14-G161 WeakPolarHBondContact CB-O 3.48Å
15F94.4Very high93.5Very high24 Ų2468.2 Ų68.211%0.10533%0.327CS..Hα-helixtrans-64.1-48.6174.1178.1-103.1000112.1L11 R12 E13 A17 G18 T20 P104 G106L11-F15 PolarHBondContact O-N 3.15Å; R12-F15 PolarHBondContact O-N 2.91Å; E13-F15 VanDerWaalsContact C-N 3.33Å; E13-F15 PolarHBondContact O-N 3.36Å; F15-A17 VanDerWaalsContact C-N 3.26Å; F15-A17 PolarHBondContact O-N 3.46Å; F15-G18 WeakPolarHBondContact O-CA 3.41Å; F15-G18 PolarHBondContact O-N 3.42Å; F15-T20 WeakPolarHBondContact CD2-OG1 3.3Å; F15-P104 HydrophobicContact CE2-CB 3.76Å; F15-P104 HydrophobicContact CE2-CG 3.55Å; F15-P104 HydrophobicContact CZ-CB 4.16Å; F15-P104 HydrophobicContact CZ-CG 3.86Å; F15-G106 VanDerWaalsContact CE1-CA 3.42Å
16H95.6Very high93.9Very high148 Ų14868 Ų6869%0.68532%0.319SS*.Hα-helixtrans-63.6-31.4179.6-74.5-55.2000112.7R12 E13 G18R12-H16 WeakPolarHBondContact O-CB 3.45Å; R12-H16 PolarHBondContact O-CD2 2.87Å; R12-H16 PolarHBondContact O-N 3.4Å; E13-H16 PolarHBondContact O-N 2.71Å; H16-G18 PolarHBondContact O-N 3.21Å
17A94.9Very high94.4Very high77 Ų7766.8 Ų66.864%0.63632%0.316SS*.THydrogen-bonded Turntrans-67.9-5.817100000113.5E13 F15 R19E13-A17 WeakPolarHBondContact O-CB 3.48Å; E13-A17 PolarHBondContact O-N 3.22Å; F15-A17 VanDerWaalsContact C-N 3.26Å; F15-A17 PolarHBondContact O-N 3.46Å; A17-R19 VanDerWaalsContact C-N 3.3Å; A17-R19 HydrophobicContact CB-CG 4.4Å; A17-R19 PolarHBondContact O-N 3.32Å
18G93.8Very high94.9Very high17 Ų1767.6 Ų67.618%0.17533%0.325CS..THydrogen-bonded Turntrans77.69.9176.500000114.6F15 H16 T20 R21F15-G18 WeakPolarHBondContact O-CA 3.41Å; F15-G18 PolarHBondContact O-N 3.42Å; H16-G18 PolarHBondContact O-N 3.21Å; G18-T20 PolarHBondContact O-N 3.34Å; G18-R21 WeakPolarHBondContact O-CB 3.2Å; G18-R21 PolarHBondContact O-N 2.96Å; G18-R21 VanDerWaalsContact O-N 3.07Å
19R93.3Very high95.2Very high122 Ų12266.4 Ų66.446%0.4632%0.318SS..THydrogen-bonded Turntrans-56.6-34.6-176-73.9178.862.8178-4.8113.2A14 A17 P22 F25 D159A14-R19 PolarHBondContact O-N 2.95Å; A17-R19 VanDerWaalsContact C-N 3.3Å; A17-R19 HydrophobicContact CB-CG 4.4Å; A17-R19 PolarHBondContact O-N 3.32Å; R19-P22 WeakPolarHBondContact O-CD 3.5Å; R19-F25 WeakPolarHBondContact O-CG 3.03Å; R19-D159 IonicContact NH2-OD1 3.36Å; R19-D159 PolarHBondContact NH2-OD1 3.27Å; R19-D159 IonicContact NH2-OD2 3.06Å; R19-D159 PolarHBondContact NH2-OD2 3.06Å
20T95.7Very high95.5Very high2 Ų260 Ų601%0.01229%0.294CS..THydrogen-bonded Turntrans-86.6-5.9-17763.40000114F15 G18 F25 R26 G132 A162F15-T20 WeakPolarHBondContact CD2-OG1 3.3Å; G18-T20 PolarHBondContact O-N 3.34Å; T20-F25 HydrophobicContact CG2-CE1 3.96Å; T20-R26 PolarHBondContact O-NE 3.44Å; T20-G132 WeakPolarHBondContact CB-O 3.36Å; T20-G132 PolarHBondContact OG1-O 2.98Å; T20-A162 HydrophobicContact CG2-CB 4.09Å
21R94.7Very high95.8Very high143 Ų14357.7 Ų57.754%0.5429%0.29SS..  trans-70.9-44.4-174.6-65.8-179.6174.6-168.2-5.3114.1G18 R26G18-R21 WeakPolarHBondContact O-CB 3.2Å; G18-R21 PolarHBondContact O-N 2.96Å; G18-R21 VanDerWaalsContact O-N 3.07Å; R21-R26 PolarHBondContact O-NE 3.43Å; R21-R26 VanDerWaalsContact O-NE 3.16Å; R21-R26 PolarHBondContact O-NH2 2.87Å
22P96.9Very high96.2Very high62 Ų6257.6 Ų57.640%0.40329%0.289SS..SBendtrans-61.5143.7-174.7-24.335.4000113.2R19 E24 F25 R26R19-P22 WeakPolarHBondContact O-CD 3.5Å; P22-E24 PolarHBondContact O-N 2.9Å; P22-F25 HydrophobicContact CB-CB 4.39Å; P22-F25 PolarHBondContact O-N 3.49Å; P22-R26 WeakPolarHBondContact O-CG 3.36Å; P22-R26 PolarHBondContact O-N 2.9Å
23A97.3Very high96.4Very high17 Ų1751.7 Ų51.714%0.1427%0.267CS..Hα-helixtrans-63.3-34.4179.200000111.8R26 A27 M82A23-R26 PolarHBondContact O-N 3.37Å; A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 2.94Å; A23-M82 HydrophobicContact CB-CE 3.8Å; A23-M82 HydrophobicContact CB-SD 3.75Å
24E97.8Very high96.6Very high119 Ų11946.6 Ų46.656%0.55625%0.245SC*.Hα-helixtrans-63.7-43179.1-62.669.6-15200110.9P22 A27 A28 R79P22-E24 PolarHBondContact O-N 2.9Å; E24-A27 PolarHBondContact O-N 3.1Å; E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 2.74Å; E24-R79 IonicContact OE1-NH2 2.97Å
25F96.9Very high96.9Very high38 Ų3851 Ų5117%0.16726%0.259CS..Hα-helixtrans-61.3-50176.2-177.6-89.6000110.4R19 T20 P22 A27 A28 Q29 D159 A162R19-F25 WeakPolarHBondContact O-CG 3.03Å; T20-F25 HydrophobicContact CG2-CE1 3.96Å; P22-F25 HydrophobicContact CB-CB 4.39Å; P22-F25 PolarHBondContact O-N 3.49Å; F25-A27 PolarHBondContact O-N 3.29Å; F25-A28 WeakPolarHBondContact O-CB 3.27Å; F25-A28 PolarHBondContact O-N 3.2Å; F25-Q29 HydrophobicContact CD1-CG 4.07Å; F25-Q29 HydrophobicContact CE1-CG 3.69Å; F25-Q29 HydrophobicContact CZ-CG 4.15Å; F25-Q29 WeakPolarHBondContact O-CG 3.25Å; F25-Q29 PolarHBondContact O-N 3.46Å; F25-Q29 VanDerWaalsContact O-N 3.08Å; F25-D159 HydrophobicContact CE2-CB 4.04Å; F25-D159 HydrophobicContact CZ-CB 3.82Å; F25-A162 HydrophobicContact CE1-CB 3.86Å; F25-A162 HydrophobicContact CZ-CB 3.69Å
26R98Very high97.1Very high17 Ų1749.9 Ų49.96%0.06425%0.254CS..Hα-helixtrans-60.6-44.5179.7-58.5-177.4-155.3-165.80.5111.7T20 R21 P22 A23 A28 Q29 L30 L78 L129 A130 A131T20-R26 PolarHBondContact O-NE 3.44Å; R21-R26 PolarHBondContact O-NE 3.43Å; R21-R26 VanDerWaalsContact O-NE 3.16Å; R21-R26 PolarHBondContact O-NH2 2.87Å; P22-R26 WeakPolarHBondContact O-CG 3.36Å; P22-R26 PolarHBondContact O-N 2.9Å; A23-R26 PolarHBondContact O-N 3.37Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3.05Å; R26-Q29 PolarHBondContact O-N 3.32Å; R26-L30 WeakPolarHBondContact O-CG 3.08Å; R26-L30 PolarHBondContact O-N 3.15Å; R26-L78 HydrophobicContact CB-CD1 4.31Å; R26-L78 HydrophobicContact CB-CD2 4.02Å; R26-L129 WeakPolarHBondContact CG-O 3.4Å; R26-A130 WeakPolarHBondContact CD-O 3.44Å; R26-A130 PolarHBondContact NH1-O 3.09Å; R26-A131 PolarHBondContact NH1-O 3.42Å
27A98.6Very high97.3Very high22 Ų2243 Ų4318%0.18222%0.222CC..Hα-helixtrans-61-42.1176.500000111.9A23 E24 F25 Q29 L30 Q31 L75 L78A23-A27 WeakPolarHBondContact O-CB 3.4Å; A23-A27 PolarHBondContact O-N 2.94Å; E24-A27 PolarHBondContact O-N 3.1Å; F25-A27 PolarHBondContact O-N 3.29Å; A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 3.01Å; A27-L30 PolarHBondContact O-N 3.36Å; A27-Q31 WeakPolarHBondContact O-CB 3.28Å; A27-Q31 VanDerWaalsContact O-CG 3.25Å; A27-Q31 WeakPolarHBondContact O-CG 3.46Å; A27-Q31 PolarHBondContact O-N 2.87Å; A27-L75 HydrophobicContact CB-CD2 4.28Å; A27-L78 HydrophobicContact CB-CD2 3.89Å
28A98.4Very high97.4Very high42 Ų4245.5 Ų45.535%0.34722%0.221SC..Hα-helixtrans-61.7-40.1176.800000112.1E24 F25 R26 Q31 G32E24-A28 WeakPolarHBondContact O-CB 3.39Å; E24-A28 PolarHBondContact O-N 2.74Å; F25-A28 WeakPolarHBondContact O-CB 3.27Å; F25-A28 PolarHBondContact O-N 3.2Å; R26-A28 VanDerWaalsContact C-N 3.34Å; R26-A28 PolarHBondContact O-N 3.05Å; A28-Q31 PolarHBondContact O-N 3.28Å; A28-G32 PolarHBondContact O-N 3.02Å
29Q98.1Very high97.7Very high13 Ų1350.3 Ų50.36%0.06124%0.239CC..Hα-helixtrans-63.9-46.2175.3-56.3-43.7-59.200111.8F25 R26 A27 Q31 G32 L33 L129F25-Q29 HydrophobicContact CD1-CG 4.07Å; F25-Q29 HydrophobicContact CE1-CG 3.69Å; F25-Q29 HydrophobicContact CZ-CG 4.15Å; F25-Q29 WeakPolarHBondContact O-CG 3.25Å; F25-Q29 PolarHBondContact O-N 3.46Å; F25-Q29 VanDerWaalsContact O-N 3.08Å; R26-Q29 PolarHBondContact O-N 3.32Å; A27-Q29 VanDerWaalsContact C-N 3.33Å; A27-Q29 PolarHBondContact O-N 3.01Å; Q29-Q31 PolarHBondContact O-N 2.89Å; Q29-G32 WeakPolarHBondContact O-CA 3.39Å; Q29-G32 PolarHBondContact O-N 2.85Å; Q29-G32 VanDerWaalsContact O-N 3.15Å; Q29-L33 PolarHBondContact O-N 3.38Å; Q29-L129 HydrophobicContact CB-CD1 4.11Å; Q29-L129 HydrophobicContact CB-CD2 4.26Å; Q29-L129 HydrophobicContact CG-CD2 4.38Å
30L98.7Very high97.9Very high0 Ų045.6 Ų45.60%022%0.223CC..Hα-helixtrans-63.8-41178.4-67.4173.7000112.1R26 A27 G32 L33 G34 V71 A74 L75 L78 V126 L129 A130R26-L30 WeakPolarHBondContact O-CG 3.08Å; R26-L30 PolarHBondContact O-N 3.15Å; A27-L30 PolarHBondContact O-N 3.36Å; L30-G32 VanDerWaalsContact C-N 3.3Å; L30-G32 PolarHBondContact O-N 3.24Å; L30-L33 PolarHBondContact O-N 3.35Å; L30-G34 PolarHBondContact O-N 3.23Å; L30-V71 WeakPolarHBondContact O-CG1 3.43Å; L30-A74 HydrophobicContact CD1-CB 3.83Å; L30-A74 HydrophobicContact CD2-CB 4.27Å; L30-L75 HydrophobicContact CB-CD1 4.45Å; L30-L75 HydrophobicContact CB-CD2 3.66Å; L30-L75 HydrophobicContact CB-CG 3.86Å; L30-L75 HydrophobicContact CD1-CD2 4.16Å; L30-L75 HydrophobicContact CD1-CG 4.35Å; L30-L78 HydrophobicContact CD1-CD2 4.43Å; L30-V126 HydrophobicContact CD2-CB 4.27Å; L30-V126 HydrophobicContact CD2-CG1 3.75Å; L30-V126 HydrophobicContact CD2-CG2 4.33Å; L30-L129 HydrophobicContact CD2-CB 4.35Å; L30-A130 HydrophobicContact CD1-CB 4.23Å
31Q98.7Very high98Very high99 Ų9949.4 Ų49.446%0.46324%0.239SC..Hα-helixtrans-62.7-38.9172.7-73.2168.2-11.500111.6A27 A28 Q29 G34 R35 L75A27-Q31 WeakPolarHBondContact O-CB 3.28Å; A27-Q31 VanDerWaalsContact O-CG 3.25Å; A27-Q31 WeakPolarHBondContact O-CG 3.46Å; A27-Q31 PolarHBondContact O-N 2.87Å; A28-Q31 PolarHBondContact O-N 3.28Å; Q29-Q31 PolarHBondContact O-N 2.89Å; Q31-G34 PolarHBondContact O-N 2.91Å; Q31-R35 PolarHBondContact O-N 3.49Å; Q31-L75 HydrophobicContact CG-CD1 4.08Å; Q31-L75 HydrophobicContact CG-CD2 3.94Å
32G98.6Very high98.2Very high0 Ų048.1 Ų48.10%024%0.239CC..Hα-helixtrans-56.4-50.2171.300000112.3A28 Q29 L30 G34 R35 F36 Y157A28-G32 PolarHBondContact O-N 3.02Å; Q29-G32 WeakPolarHBondContact O-CA 3.39Å; Q29-G32 PolarHBondContact O-N 2.85Å; Q29-G32 VanDerWaalsContact O-N 3.15Å; L30-G32 VanDerWaalsContact C-N 3.3Å; L30-G32 PolarHBondContact O-N 3.24Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 3.07Å; G32-R35 PolarHBondContact O-N 2.9Å; G32-F36 PolarHBondContact O-N 3.33Å; G32-Y157 VanDerWaalsContact CA-O 3.25Å; G32-Y157 WeakPolarHBondContact CA-O 3.48Å
33L98.3Very high98.2Very high3 Ų348.8 Ų48.82%0.01624%0.239CC..Hα-helixtrans-58.8-41.7175.2-69-172.8000112.9Q29 L30 F36 L37 V71 L125 V126 L129 L154 V158Q29-L33 PolarHBondContact O-N 3.38Å; L30-L33 PolarHBondContact O-N 3.35Å; L33-F36 WeakPolarHBondContact O-CB 3.25Å; L33-F36 PolarHBondContact O-N 3.34Å; L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.1Å; L33-V71 HydrophobicContact CB-CG2 3.95Å; L33-L125 HydrophobicContact CD1-CD2 4.04Å; L33-L125 HydrophobicContact CD1-CG 4.13Å; L33-L125 HydrophobicContact CD2-CD2 3.92Å; L33-V126 HydrophobicContact CD1-CG2 3.81Å; L33-L129 HydrophobicContact CD1-CD1 3.57Å; L33-L129 HydrophobicContact CG-CD1 4.15Å; L33-L154 HydrophobicContact CD2-CD1 3.54Å; L33-L154 HydrophobicContact CD2-CG 4.46Å; L33-V158 HydrophobicContact CD2-CG1 3.84Å; L33-V158 HydrophobicContact CG-CG1 4.18Å
34G98.6Very high98.3Very high4 Ų448 Ų484%0.04123%0.232CC..Hα-helixtrans-61.1-44.7175.300000112.4L30 Q31 G32 L37 Q38 Q68L30-G34 PolarHBondContact O-N 3.23Å; Q31-G34 PolarHBondContact O-N 2.91Å; G32-G34 VanDerWaalsContact C-N 3.32Å; G32-G34 PolarHBondContact O-N 3.07Å; G34-L37 PolarHBondContact O-N 3.29Å; G34-Q38 WeakPolarHBondContact O-CG 3.47Å; G34-Q38 PolarHBondContact O-N 2.93Å; G34-Q38 VanDerWaalsContact O-N 3.08Å; G34-Q68 PolarHBondContact O-OE1 2.87Å
35R98.8Very high98.3Very high102 Ų10243 Ų4339%0.38521%0.209SC..Hα-helixtrans-63.3-43.7175-73.4-165.2-54.3-78.3-1.3112Q31 G32 L37 Q38 E39 Y157Q31-R35 PolarHBondContact O-N 3.49Å; G32-R35 PolarHBondContact O-N 2.9Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.18Å; R35-Q38 PolarHBondContact O-N 3.03Å; R35-E39 VanDerWaalsContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.35Å; R35-E39 PolarHBondContact O-N 3.15Å; R35-Y157 HydrophobicContact CB-CD1 3.78Å; R35-Y157 HydrophobicContact CB-CE1 3.86Å
36F98.6Very high98.4Very high0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-53.6-50.3176.1165.9-104.9000111.4G32 L33 N40 L44 L122 I149 L150 V153 L154 Y157G32-F36 PolarHBondContact O-N 3.33Å; L33-F36 WeakPolarHBondContact O-CB 3.25Å; L33-F36 PolarHBondContact O-N 3.34Å; F36-N40 VanDerWaalsContact O-CB 3.27Å; F36-N40 WeakPolarHBondContact O-CB 3.44Å; F36-N40 PolarHBondContact O-N 2.8Å; F36-N40 VanDerWaalsContact O-N 3.15Å; F36-N40 PolarHBondContact O-ND2 3.1Å; F36-L44 HydrophobicContact CE1-CD1 4.37Å; F36-L44 HydrophobicContact CE1-CD2 4.34Å; F36-L44 HydrophobicContact CZ-CD2 3.92Å; F36-L122 HydrophobicContact CE1-CD1 4.28Å; F36-I149 HydrophobicContact CE2-CG2 4.14Å; F36-I149 HydrophobicContact CZ-CG2 4.07Å; F36-L150 HydrophobicContact CE1-CD2 4.07Å; F36-L150 HydrophobicContact CZ-CD2 3.97Å; F36-V153 HydrophobicContact CD2-CG1 4.15Å; F36-V153 HydrophobicContact CE2-CB 4.09Å; F36-V153 HydrophobicContact CE2-CG1 3.92Å; F36-L154 HydrophobicContact CB-CD1 4.09Å; F36-L154 HydrophobicContact CD1-CD1 3.56Å; F36-L154 HydrophobicContact CD2-CB 4.48Å; F36-L154 HydrophobicContact CD2-CD1 3.95Å; F36-L154 HydrophobicContact CE1-CD1 3.91Å; F36-L154 HydrophobicContact CE2-CB 4.23Å; F36-L154 HydrophobicContact CE2-CD1 4.27Å; F36-L154 HydrophobicContact CG-CD1 3.57Å; F36-L154 HydrophobicContact CZ-CB 4.4Å; F36-L154 HydrophobicContact CZ-CD1 4.25Å; F36-Y157 HydrophobicContact CB-CD1 3.96Å; F36-Y157 HydrophobicContact CB-CD2 3.83Å; F36-Y157 HydrophobicContact CB-CE1 4.42Å; F36-Y157 HydrophobicContact CB-CE2 4.31Å; F36-Y157 HydrophobicContact CB-CG 3.64Å; F36-Y157 AromaticContact CD2-CD2 3.82Å; F36-Y157 HydrophobicContact CD2-CD2 3.82Å; F36-Y157 HydrophobicContact CD2-CE2 4.01Å; F36-Y157 HydrophobicContact CD2-CG 4.5Å; F36-Y157 HydrophobicContact CG-CD2 4.3Å
37L98.5Very high98.4Very high3 Ų343.9 Ų43.92%0.01622%0.217CC..Hα-helixtrans-63.2-42179.7-74.6166000112.6L33 G34 R35 K41 L44 V64 Q68 V71 L122L33-L37 WeakPolarHBondContact O-CG 3.46Å; L33-L37 PolarHBondContact O-N 3.1Å; G34-L37 PolarHBondContact O-N 3.29Å; R35-L37 VanDerWaalsContact C-N 3.33Å; R35-L37 PolarHBondContact O-N 3.18Å; L37-K41 PolarHBondContact O-N 3.45Å; L37-L44 HydrophobicContact CD2-CD1 4.11Å; L37-V64 HydrophobicContact CD2-CG1 4.34Å; L37-Q68 HydrophobicContact CD1-CB 4.24Å; L37-V71 HydrophobicContact CD1-CG2 4.34Å; L37-L122 HydrophobicContact CD2-CD1 3.71Å; L37-L122 HydrophobicContact CG-CD1 4.4Å
38Q98.3Very high98.4Very high130 Ų13042.9 Ų42.961%0.60721%0.208SC*.Hα-helixtrans-73.5-48.4-177-72178.8-14.700112.8G34 R35 N40G34-Q38 WeakPolarHBondContact O-CG 3.47Å; G34-Q38 PolarHBondContact O-N 2.93Å; G34-Q38 VanDerWaalsContact O-N 3.08Å; R35-Q38 PolarHBondContact O-N 3.03Å; Q38-N40 VanDerWaalsContact C-N 3.34Å
39E98.6Very high98.5Very high118 Ų11842.7 Ų42.755%0.55121%0.207SC*.Hα-helixtrans-73.4-28.3-174.7-66.1172.5-158.200112.1R35 Y157R35-E39 VanDerWaalsContact O-CB 3.3Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E39 WeakPolarHBondContact O-CG 3.35Å; R35-E39 PolarHBondContact O-N 3.15Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.27Å; E39-Y157 PolarHBondContact OE2-OH 2.97Å
40N98.4Very high98.5Very high24 Ų2447.7 Ų47.713%0.12823%0.23CC..THydrogen-bonded Turntrans-105.314.7-177.8-57.2-82.3000113.1F36 Q38 Q42 L43 L44 Y157F36-N40 VanDerWaalsContact O-CB 3.27Å; F36-N40 WeakPolarHBondContact O-CB 3.44Å; F36-N40 PolarHBondContact O-N 2.8Å; F36-N40 VanDerWaalsContact O-N 3.15Å; F36-N40 PolarHBondContact O-ND2 3.1Å; Q38-N40 VanDerWaalsContact C-N 3.34Å; N40-Q42 VanDerWaalsContact C-N 3.34Å; N40-Q42 PolarHBondContact O-N 3.35Å; N40-L43 HydrophobicContact CB-CB 4.44Å; N40-L43 HydrophobicContact CB-CD2 4.44Å; N40-L43 WeakPolarHBondContact O-CB 3.27Å; N40-L43 PolarHBondContact O-N 3.36Å; N40-L43 VanDerWaalsContact O-N 3.07Å; N40-L44 HydrophobicContact CB-CD1 4.49Å; N40-L44 HydrophobicContact CB-CG 4.39Å; N40-L44 VanDerWaalsContact O-CG 3.31Å; N40-L44 WeakPolarHBondContact O-CG 3.35Å; N40-L44 PolarHBondContact O-N 3.03Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.11Å; N40-Y157 PolarHBondContact ND2-OH 3.4Å
41K97.5Very high98.4Very high82 Ų8249.4 Ų49.436%0.35724%0.24SC..Hα-helixtrans-50.5-49.2-173.3-172.4177.2-167.3169.60113.9L37 L44 H45 E60L37-K41 PolarHBondContact O-N 3.45Å; K41-L44 PolarHBondContact O-N 2.91Å; K41-H45 PolarHBondContact O-N 3.3Å; K41-E60 WeakPolarHBondContact CE-OE1 3.15Å; K41-E60 WeakPolarHBondContact CE-OE2 3.3Å; K41-E60 IonicContact NZ-OE1 3.33Å; K41-E60 PolarHBondContact NZ-OE1 2.89Å; K41-E60 IonicContact NZ-OE2 2.71Å; K41-E60 PolarHBondContact NZ-OE2 3.37Å; K41-E60 VanDerWaalsContact NZ-OE2 3.16Å
42Q98.2Very high98.4Very high116 Ų11646.6 Ų46.654%0.54223%0.228SC..Hα-helixtrans-64.8-45180-172.559.848.600111.4N40 L44 H45 D46N40-Q42 VanDerWaalsContact C-N 3.34Å; N40-Q42 PolarHBondContact O-N 3.35Å; Q42-L44 VanDerWaalsContact C-N 3.27Å; Q42-L44 PolarHBondContact O-N 2.9Å; Q42-H45 PolarHBondContact O-N 3.43Å; Q42-D46 PolarHBondContact NE2-OD1 2.99Å; Q42-D46 PolarHBondContact O-N 3.39Å
43L98.4Very high98.4Very high76 Ų7654.7 Ų54.740%0.39827%0.265SS..Hα-helixtrans-57.7-41176.917764.4000111.7N40 D46 A47 I149 V153N40-L43 HydrophobicContact CB-CB 4.44Å; N40-L43 HydrophobicContact CB-CD2 4.44Å; N40-L43 WeakPolarHBondContact O-CB 3.27Å; N40-L43 PolarHBondContact O-N 3.36Å; N40-L43 VanDerWaalsContact O-N 3.07Å; L43-D46 PolarHBondContact O-N 3.46Å; L43-A47 PolarHBondContact O-N 3.11Å; L43-A47 VanDerWaalsContact O-N 3.09Å; L43-I149 HydrophobicContact CD1-CD1 4.02Å; L43-I149 HydrophobicContact CD1-CG1 4.37Å; L43-I149 HydrophobicContact CD2-CD1 4.33Å; L43-I149 HydrophobicContact CD2-CG1 4.18Å; L43-I149 HydrophobicContact CD2-CG2 4.28Å; L43-I149 HydrophobicContact CG-CD1 3.71Å; L43-I149 HydrophobicContact CG-CG1 4.09Å; L43-V153 HydrophobicContact CD2-CG2 4.34Å
44L98.5Very high98.3Very high0 Ų055 Ų550%027%0.266CS..Hα-helixtrans-66.7-43.2177.3-66.7171.1000112F36 L37 N40 K41 Q42 A47 L48 V64 L118 I149F36-L44 HydrophobicContact CE1-CD1 4.37Å; F36-L44 HydrophobicContact CE1-CD2 4.34Å; F36-L44 HydrophobicContact CZ-CD2 3.92Å; L37-L44 HydrophobicContact CD2-CD1 4.11Å; N40-L44 HydrophobicContact CB-CD1 4.49Å; N40-L44 HydrophobicContact CB-CG 4.39Å; N40-L44 VanDerWaalsContact O-CG 3.31Å; N40-L44 WeakPolarHBondContact O-CG 3.35Å; N40-L44 PolarHBondContact O-N 3.03Å; K41-L44 PolarHBondContact O-N 2.91Å; Q42-L44 VanDerWaalsContact C-N 3.27Å; Q42-L44 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 2.9Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 3.41Å; L44-V64 HydrophobicContact CB-CG2 4.49Å; L44-L118 HydrophobicContact CB-CD1 3.92Å; L44-L118 HydrophobicContact CD1-CD1 4.32Å; L44-L118 HydrophobicContact CD2-CD1 3.8Å; L44-L118 HydrophobicContact CD2-CD2 3.83Å; L44-L118 HydrophobicContact CD2-CG 4.48Å; L44-L118 HydrophobicContact CG-CD1 4.22Å; L44-I149 HydrophobicContact CD2-CG2 3.8Å
45H98.6Very high98.2Very high15 Ų1558 Ų587%0.06929%0.286CS..Hα-helixtrans-62.6-43.6175.2-68.6172.3000112.1K41 Q42 A47 L48 A49 E60K41-H45 PolarHBondContact O-N 3.3Å; Q42-H45 PolarHBondContact O-N 3.43Å; H45-A47 VanDerWaalsContact C-N 3.31Å; H45-A47 PolarHBondContact O-N 3.34Å; H45-L48 PolarHBondContact O-N 2.96Å; H45-A49 WeakPolarHBondContact O-CB 3.4Å; H45-A49 PolarHBondContact O-N 3.02Å; H45-E60 IonicContact CE1-OE2 3.39Å; H45-E60 PolarHBondContact CE1-OE2 3.46Å; H45-E60 IonicContact NE2-OE2 3.84Å; H45-E60 PolarHBondContact NE2-OE2 3.44Å
46D98.6Very high98.2Very high71 Ų7155.8 Ų55.838%0.3829%0.29SS..Hα-helixtrans-64.4-37.8-179.7-65.2-19.6000111.4Q42 L43 Q50Q42-D46 PolarHBondContact NE2-OD1 2.99Å; Q42-D46 PolarHBondContact O-N 3.39Å; L43-D46 PolarHBondContact O-N 3.46Å; D46-Q50 VanDerWaalsContact O-CG 3.27Å; D46-Q50 WeakPolarHBondContact O-CG 3.35Å; D46-Q50 PolarHBondContact O-N 3.07Å; D46-Q50 PolarHBondContact O-NE2 3.04Å
47A98.4Very high98.1Very high2 Ų263.3 Ų63.32%0.01732%0.323CS..Hα-helixtrans-68.8-41.817500000112.7L43 L44 H45 A49 Q50 D51 N145 V146 I149L43-A47 PolarHBondContact O-N 3.11Å; L43-A47 VanDerWaalsContact O-N 3.09Å; L44-A47 PolarHBondContact O-N 2.9Å; H45-A47 VanDerWaalsContact C-N 3.31Å; H45-A47 PolarHBondContact O-N 3.34Å; A47-A49 VanDerWaalsContact C-N 3.31Å; A47-A49 PolarHBondContact O-N 3.33Å; A47-Q50 PolarHBondContact O-N 2.84Å; A47-D51 WeakPolarHBondContact O-CB 3.36Å; A47-D51 PolarHBondContact O-N 3.36Å; A47-N145 HydrophobicContact CB-CB 3.74Å; A47-V146 HydrophobicContact CB-CG2 3.96Å; A47-I149 HydrophobicContact CB-CD1 3.31Å
48L98.6Very high98.1Very high0 Ų067.1 Ų67.10%034%0.341CS..Hα-helixtrans-63.9-36.6175-74.9170.7000112.3L44 H45 L52 H53 E63 P117 L118 V146L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 3.41Å; H45-L48 PolarHBondContact O-N 2.96Å; L48-L52 HydrophobicContact CD2-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CA 3.36Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 PolarHBondContact O-N 3.23Å; L48-H53 PolarHBondContact O-N 2.98Å; L48-E63 HydrophobicContact CD1-CB 4.07Å; L48-E63 HydrophobicContact CD1-CG 4.07Å; L48-E63 VanDerWaalsContact CD2-OE1 3.25Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.43Å; L48-P117 HydrophobicContact CD2-CG 3.84Å; L48-L118 HydrophobicContact CD1-CD1 3.8Å; L48-L118 HydrophobicContact CG-CD1 4.29Å; L48-V146 HydrophobicContact CD2-CG2 3.84Å; L48-V146 HydrophobicContact CG-CG2 4.11Å
49A98.6Very high98.1Very high38 Ų3861 Ų6131%0.31431%0.312SS..Hα-helixtrans-66.7-37173.300000112.2H45 A47 H53H45-A49 WeakPolarHBondContact O-CB 3.4Å; H45-A49 PolarHBondContact O-N 3.02Å; A47-A49 VanDerWaalsContact C-N 3.31Å; A47-A49 PolarHBondContact O-N 3.33Å; A49-H53 WeakPolarHBondContact O-CA 3.45Å; A49-H53 PolarHBondContact O-N 2.85Å; A49-H53 PolarHBondContact O-ND1 3.19Å
50Q98.4Very high98.1Very high118 Ų11857.6 Ų57.655%0.55130%0.296SS*.Hα-helixtrans-72.1-40.7177-75.3169.56900112.8D46 A47D46-Q50 VanDerWaalsContact O-CG 3.27Å; D46-Q50 WeakPolarHBondContact O-CG 3.35Å; D46-Q50 PolarHBondContact O-N 3.07Å; D46-Q50 PolarHBondContact O-NE2 3.04Å; A47-Q50 PolarHBondContact O-N 2.84Å
51D98.1Very high98Very high37 Ų3759.9 Ų59.920%0.19831%0.311CS..Hα-helixtrans-83.6-36.6-175.7-75.6-18.2000112.7A47 S143 K144 N145 V146A47-D51 WeakPolarHBondContact O-CB 3.36Å; A47-D51 PolarHBondContact O-N 3.36Å; D51-S143 WeakPolarHBondContact OD2-CA 3.39Å; D51-K144 PolarHBondContact OD1-N 3.17Å; D51-K144 PolarHBondContact OD2-N 2.8Å; D51-N145 WeakPolarHBondContact OD1-CB 3.09Å; D51-N145 PolarHBondContact OD1-N 3.41Å; D51-N145 VanDerWaalsContact OD1-N 3.1Å; D51-N145 PolarHBondContact OD1-ND2 3.13Å; D51-N145 PolarHBondContact OD2-N 3.21Å; D51-V146 PolarHBondContact OD2-N 3.36Å
52L98Very high98Very high40 Ų4057 Ų5721%0.20930%0.301CS..Hα-helixtrans-126.8-2-170.9-69.493.9000114.2L48 K54 W114 N115 P117L48-L52 HydrophobicContact CD2-CD1 4.11Å; L48-L52 WeakPolarHBondContact O-CA 3.36Å; L48-L52 WeakPolarHBondContact O-CB 3.41Å; L48-L52 PolarHBondContact O-N 3.23Å; L52-K54 HydrophobicContact CB-CD 4.42Å; L52-K54 HydrophobicContact CB-CG 3.95Å; L52-K54 PolarHBondContact O-N 3.03Å; L52-K54 VanDerWaalsContact O-N 3.14Å; L52-W114 WeakPolarHBondContact CD2-O 3.31Å; L52-N115 VanDerWaalsContact CD2-O 3.29Å; L52-N115 WeakPolarHBondContact CD2-O 3.32Å; L52-P117 HydrophobicContact CD1-CG 3.93Å
53H97.8Very high98.1Very high169 Ų16951.4 Ų51.478%0.78228%0.275SS*.  trans56.124-172-57.5-54.4000114.3L48 A49L48-H53 PolarHBondContact O-N 2.98Å; A49-H53 WeakPolarHBondContact O-CA 3.45Å; A49-H53 PolarHBondContact O-N 2.85Å; A49-H53 PolarHBondContact O-ND1 3.19Å
54K96.3Very high98.1Very high11 Ų1148 Ų485%0.04826%0.258CS..  trans-67.3135174.1-73.4-173.8179.9172.90110.1L52 E58 S59 E63 N115L52-K54 HydrophobicContact CB-CD 4.42Å; L52-K54 HydrophobicContact CB-CG 3.95Å; L52-K54 PolarHBondContact O-N 3.03Å; L52-K54 VanDerWaalsContact O-N 3.14Å; K54-E58 HydrophobicContact CD-CG 4.34Å; K54-E58 HydrophobicContact CG-CG 4.35Å; K54-S59 VanDerWaalsContact CB-OG 3.28Å; K54-S59 WeakPolarHBondContact CB-OG 3.36Å; K54-E63 IonicContact NZ-OE1 2.85Å; K54-E63 PolarHBondContact NZ-OE1 2.89Å; K54-N115 PolarHBondContact NZ-O 3.02Å
55S97.9Very high98Very high65 Ų6550 Ų5046%0.45527%0.274SS..  trans-64.4159.2169.370.30000110.5F57 E58 S59S55-F57 PolarHBondContact O-N 3.29Å; S55-E58 PolarHBondContact O-N 3.45Å; S55-E58 WeakPolarHBondContact OG-CB 3.47Å; S55-E58 PolarHBondContact OG-N 3.25Å; S55-S59 WeakPolarHBondContact O-CB 3.31Å; S55-S59 PolarHBondContact O-N 2.92Å; S55-S59 PolarHBondContact O-OG 3.49Å
56A96.9Very high98Very high57 Ų5753.1 Ų53.147%0.47129%0.29SS..Hα-helixtrans-58.6-36.8176.400000112.2E60A56-E60 WeakPolarHBondContact O-CB 3.3Å; A56-E60 PolarHBondContact O-N 3.08Å
57F97.8Very high98Very high157 Ų15749.8 Ų49.869%0.68927%0.273SS*.Hα-helixtrans-65.7-47.7176.9177.2-101.5000111.9S55 E60 V61S55-F57 PolarHBondContact O-N 3.29Å; F57-E60 WeakPolarHBondContact O-CB 3.45Å; F57-E60 PolarHBondContact O-N 3.21Å; F57-V61 HydrophobicContact CD2-CG1 4.38Å; F57-V61 HydrophobicContact CE1-CG1 4.43Å; F57-V61 HydrophobicContact CE1-CG2 4.3Å; F57-V61 HydrophobicContact CE2-CG1 3.92Å; F57-V61 HydrophobicContact CZ-CG1 3.95Å; F57-V61 VanDerWaalsContact O-CG2 3.27Å; F57-V61 WeakPolarHBondContact O-CG2 3.28Å; F57-V61 PolarHBondContact O-N 2.93Å
58E97.9Very high98Very high84 Ų8451.5 Ų51.539%0.39328%0.28SS..Hα-helixtrans-64.1-43178.1-174.7-173.3170.500111.8K54 S55 E60 V61 S62K54-E58 HydrophobicContact CD-CG 4.34Å; K54-E58 HydrophobicContact CG-CG 4.35Å; S55-E58 PolarHBondContact O-N 3.45Å; S55-E58 WeakPolarHBondContact OG-CB 3.47Å; S55-E58 PolarHBondContact OG-N 3.25Å; E58-E60 VanDerWaalsContact C-N 3.3Å; E58-E60 PolarHBondContact O-N 3.44Å; E58-V61 PolarHBondContact O-N 2.91Å; E58-S62 VanDerWaalsContact O-CB 3.28Å; E58-S62 WeakPolarHBondContact O-CB 3.2Å; E58-S62 PolarHBondContact O-N 3.28Å; E58-S62 PolarHBondContact O-OG 3.5Å
59S98Very high98Very high0 Ų053.2 Ų53.20%030%0.298CS..Hα-helixtrans-58.2-43.4175.3-620000111.4K54 S55 E63 V64K54-S59 VanDerWaalsContact CB-OG 3.28Å; K54-S59 WeakPolarHBondContact CB-OG 3.36Å; S55-S59 WeakPolarHBondContact O-CB 3.31Å; S55-S59 PolarHBondContact O-N 2.92Å; S55-S59 PolarHBondContact O-OG 3.49Å; S59-E63 VanDerWaalsContact O-CB 3.29Å; S59-E63 WeakPolarHBondContact O-CB 3.35Å; S59-E63 PolarHBondContact O-N 2.87Å; S59-E63 VanDerWaalsContact O-N 3.13Å; S59-V64 PolarHBondContact O-N 3.4Å
60E98.4Very high98.1Very high47 Ų4754.2 Ų54.222%0.2230%0.296CS..Iπ-helixtrans-61.9-56.7177.5176.865.4174.500111.3K41 H45 A56 F57 E58 S62 V64 A65K41-E60 WeakPolarHBondContact CE-OE1 3.15Å; K41-E60 WeakPolarHBondContact CE-OE2 3.3Å; K41-E60 IonicContact NZ-OE1 3.33Å; K41-E60 PolarHBondContact NZ-OE1 2.89Å; K41-E60 IonicContact NZ-OE2 2.71Å; K41-E60 PolarHBondContact NZ-OE2 3.37Å; K41-E60 VanDerWaalsContact NZ-OE2 3.16Å; H45-E60 IonicContact CE1-OE2 3.39Å; H45-E60 PolarHBondContact CE1-OE2 3.46Å; H45-E60 IonicContact NE2-OE2 3.84Å; H45-E60 PolarHBondContact NE2-OE2 3.44Å; A56-E60 WeakPolarHBondContact O-CB 3.3Å; A56-E60 PolarHBondContact O-N 3.08Å; F57-E60 WeakPolarHBondContact O-CB 3.45Å; F57-E60 PolarHBondContact O-N 3.21Å; E58-E60 VanDerWaalsContact C-N 3.3Å; E58-E60 PolarHBondContact O-N 3.44Å; E60-S62 PolarHBondContact O-N 3.15Å; E60-V64 PolarHBondContact O-N 3.14Å; E60-A65 HydrophobicContact CG-CB 4.48Å; E60-A65 WeakPolarHBondContact O-CB 3.27Å; E60-A65 PolarHBondContact O-N 3.2Å
61V98.1Very high98.1Very high73 Ų7348.7 Ų48.744%0.44227%0.27SS..Iπ-helixtrans-74.7-27.5-169.6-63.20000113.5F57 E58 I66F57-V61 HydrophobicContact CD2-CG1 4.38Å; F57-V61 HydrophobicContact CE1-CG1 4.43Å; F57-V61 HydrophobicContact CE1-CG2 4.3Å; F57-V61 HydrophobicContact CE2-CG1 3.92Å; F57-V61 HydrophobicContact CZ-CG1 3.95Å; F57-V61 VanDerWaalsContact O-CG2 3.27Å; F57-V61 WeakPolarHBondContact O-CG2 3.28Å; F57-V61 PolarHBondContact O-N 2.93Å; E58-V61 PolarHBondContact O-N 2.91Å; V61-I66 WeakPolarHBondContact O-CG1 3.4Å
62S97.6Very high98.1Very high20 Ų2050.5 Ų50.514%0.1428%0.283CS..Iπ-helixtrans-98.3-15.3-176.171.10000114E58 E60E58-S62 VanDerWaalsContact O-CB 3.28Å; E58-S62 WeakPolarHBondContact O-CB 3.2Å; E58-S62 PolarHBondContact O-N 3.28Å; E58-S62 PolarHBondContact O-OG 3.5Å; E60-S62 PolarHBondContact O-N 3.15Å
63E98.4Very high98.1Very high0 Ų051.5 Ų51.50%029%0.288CS..Iπ-helixtrans-131-62.8-173-52.1-125.5-149.500113.1L48 K54 S59 S67 Y116 P117 L118 N119L48-E63 HydrophobicContact CD1-CB 4.07Å; L48-E63 HydrophobicContact CD1-CG 4.07Å; L48-E63 VanDerWaalsContact CD2-OE1 3.25Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.43Å; K54-E63 IonicContact NZ-OE1 2.85Å; K54-E63 PolarHBondContact NZ-OE1 2.89Å; S59-E63 VanDerWaalsContact O-CB 3.29Å; S59-E63 WeakPolarHBondContact O-CB 3.35Å; S59-E63 PolarHBondContact O-N 2.87Å; S59-E63 VanDerWaalsContact O-N 3.13Å; E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 3.4Å; E63-S67 VanDerWaalsContact O-N 3.16Å; E63-S67 PolarHBondContact O-OG 2.86Å; E63-Y116 HydrophobicContact CG-CD1 4.33Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.31Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.36Å; E63-P117 WeakPolarHBondContact OE1-CD 3.33Å; E63-L118 HydrophobicContact CB-CB 4.15Å; E63-L118 WeakPolarHBondContact OE2-CA 3.34Å; E63-L118 WeakPolarHBondContact OE2-CB 3.33Å; E63-L118 PolarHBondContact OE2-N 3.02Å; E63-N119 PolarHBondContact OE2-N 2.93Å
64V98.3Very high98.2Very high5 Ų543.5 Ų43.53%0.0325%0.252CS..Iπ-helixtrans-73.1-51-170.4179.40000111.1L37 L44 S59 E60 I66 S67 Q68 L118L37-V64 HydrophobicContact CD2-CG1 4.34Å; L44-V64 HydrophobicContact CB-CG2 4.49Å; S59-V64 PolarHBondContact O-N 3.4Å; E60-V64 PolarHBondContact O-N 3.14Å; V64-I66 VanDerWaalsContact C-N 3.35Å; V64-I66 PolarHBondContact O-N 2.95Å; V64-S67 PolarHBondContact O-N 3.31Å; V64-Q68 WeakPolarHBondContact O-CB 3.48Å; V64-Q68 PolarHBondContact O-N 3.3Å; V64-L118 HydrophobicContact CG2-CD1 4.32Å
65A98.3Very high98.3Very high42 Ų4245.9 Ų45.935%0.34726%0.264SS..Hα-helixtrans-65-37.6-17800000112.3E60 Q68 G69E60-A65 HydrophobicContact CG-CB 4.48Å; E60-A65 WeakPolarHBondContact O-CB 3.27Å; E60-A65 PolarHBondContact O-N 3.2Å; A65-Q68 PolarHBondContact O-N 3.08Å; A65-G69 PolarHBondContact O-N 3.23Å
66I98.3Very high98.3Very high80 Ų8051.9 Ų51.941%0.4128%0.277SS..Hα-helixtrans-63.1-50175.6-64.8-178.6000110.1V61 V64 Q68 G69 E70 N119 V123V61-I66 WeakPolarHBondContact O-CG1 3.4Å; V64-I66 VanDerWaalsContact C-N 3.35Å; V64-I66 PolarHBondContact O-N 2.95Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.42Å; I66-G69 PolarHBondContact O-N 3.28Å; I66-E70 PolarHBondContact O-N 3.16Å; I66-N119 WeakPolarHBondContact CG2-OD1 3.33Å; I66-V123 HydrophobicContact CG2-CG2 4.16Å
67S98.4Very high98.4Very high1 Ų151.2 Ų51.21%0.00727%0.265CS..Hα-helixtrans-61.4-41.9178.9-56.30000111.8E63 V64 G69 E70 V71E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 3.4Å; E63-S67 VanDerWaalsContact O-N 3.16Å; E63-S67 PolarHBondContact O-OG 2.86Å; V64-S67 PolarHBondContact O-N 3.31Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 2.71Å; S67-E70 PolarHBondContact O-N 2.98Å; S67-V71 WeakPolarHBondContact O-CG2 3.25Å; S67-V71 PolarHBondContact O-N 3.48Å
68Q98.7Very high98.5Very high37 Ų3744 Ų4417%0.17323%0.234CC..Hα-helixtrans-65.3-38.2176.5-174.86351.500112.1G34 L37 V64 A65 I66 V71 T72G34-Q68 PolarHBondContact O-OE1 2.87Å; L37-Q68 HydrophobicContact CD1-CB 4.24Å; V64-Q68 WeakPolarHBondContact O-CB 3.48Å; V64-Q68 PolarHBondContact O-N 3.3Å; A65-Q68 PolarHBondContact O-N 3.08Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 3.42Å; Q68-V71 PolarHBondContact O-N 3.05Å; Q68-T72 WeakPolarHBondContact O-CB 3.43Å; Q68-T72 PolarHBondContact O-N 2.96Å; Q68-T72 PolarHBondContact O-OG1 2.89Å
69G98.8Very high98.4Very high37 Ų3749 Ų4938%0.38125%0.25SC..Hα-helixtrans-61-44.417400000111.8A65 I66 S67 T72 L73A65-G69 PolarHBondContact O-N 3.23Å; I66-G69 PolarHBondContact O-N 3.28Å; S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 2.71Å; G69-T72 WeakPolarHBondContact O-CB 3.43Å; G69-T72 PolarHBondContact O-N 3.02Å; G69-L73 WeakPolarHBondContact O-CB 3.35Å; G69-L73 PolarHBondContact O-N 3.34Å
70E98.8Very high98.4Very high58 Ų5852.2 Ų52.227%0.27128%0.276SS..Hα-helixtrans-65-43178-166.762.8-161.300112I66 S67 T72 L73 A74 V123 V126I66-E70 PolarHBondContact O-N 3.16Å; S67-E70 PolarHBondContact O-N 2.98Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 PolarHBondContact O-N 3.17Å; E70-L73 PolarHBondContact O-N 2.88Å; E70-A74 WeakPolarHBondContact O-CB 3.47Å; E70-A74 PolarHBondContact O-N 3.3Å; E70-V123 HydrophobicContact CB-CG2 4.11Å; E70-V123 HydrophobicContact CG-CB 4.49Å; E70-V123 HydrophobicContact CG-CG1 4.12Å; E70-V123 HydrophobicContact CG-CG2 4.28Å; E70-V126 HydrophobicContact CB-CG1 4.49Å; E70-V126 HydrophobicContact CG-CB 4Å; E70-V126 HydrophobicContact CG-CG1 3.75Å; E70-V126 HydrophobicContact CG-CG2 4.48Å
71V98.8Very high98.4Very high2 Ų255.5 Ų55.51%0.01229%0.286CS..Hα-helixtrans-55.9-46.7172.2169.30000110.8L30 L33 L37 S67 Q68 A74 L75 V126L30-V71 WeakPolarHBondContact O-CG1 3.43Å; L33-V71 HydrophobicContact CB-CG2 3.95Å; L37-V71 HydrophobicContact CD1-CG2 4.34Å; S67-V71 WeakPolarHBondContact O-CG2 3.25Å; S67-V71 PolarHBondContact O-N 3.48Å; Q68-V71 PolarHBondContact O-N 3.05Å; V71-A74 PolarHBondContact O-N 3.24Å; V71-L75 HydrophobicContact CG1-CD1 3.88Å; V71-L75 HydrophobicContact CG1-CG 4.49Å; V71-L75 WeakPolarHBondContact O-CB 3.45Å; V71-L75 WeakPolarHBondContact O-CG 3.25Å; V71-L75 PolarHBondContact O-N 3.47Å; V71-V126 HydrophobicContact CG2-CG2 3.53Å
72T98.8Very high98.4Very high76 Ų7654.6 Ų54.647%0.46628%0.278SS..Hα-helixtrans-64.8-43.5-178.8-56.40000111.3Q68 G69 E70 L75 R76Q68-T72 WeakPolarHBondContact O-CB 3.43Å; Q68-T72 PolarHBondContact O-N 2.96Å; Q68-T72 PolarHBondContact O-OG1 2.89Å; G69-T72 WeakPolarHBondContact O-CB 3.43Å; G69-T72 PolarHBondContact O-N 3.02Å; E70-T72 VanDerWaalsContact C-N 3.29Å; E70-T72 PolarHBondContact O-N 3.17Å; T72-L75 PolarHBondContact O-N 2.81Å; T72-R76 WeakPolarHBondContact O-CB 3.41Å; T72-R76 PolarHBondContact O-N 2.87Å
73L98.9Very high98.4Very high61 Ų6161 Ų6132%0.31930%0.303SS..Hα-helixtrans-60.3-47.6176.2-179.470000110.9G69 E70 R76 N77 W81G69-L73 WeakPolarHBondContact O-CB 3.35Å; G69-L73 PolarHBondContact O-N 3.34Å; E70-L73 PolarHBondContact O-N 2.88Å; L73-R76 PolarHBondContact O-N 3.41Å; L73-N77 VanDerWaalsContact CD1-ND2 3.32Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.19Å; L73-N77 PolarHBondContact O-N 3.17Å; L73-N77 VanDerWaalsContact O-N 3.13Å; L73-N77 PolarHBondContact O-ND2 2.88Å; L73-W81 HydrophobicContact CD2-CH2 4.47Å; L73-W81 HydrophobicContact CG-CH2 4.22Å; L73-W81 HydrophobicContact CG-CZ2 4.37Å
74A98.8Very high98.4Very high1 Ų163.3 Ų63.31%0.00832%0.315CS..Hα-helixtrans-62.4-47.7179.700000111.4L30 E70 V71 R76 N77 L78 W81 V126 A130L30-A74 HydrophobicContact CD1-CB 3.83Å; L30-A74 HydrophobicContact CD2-CB 4.27Å; E70-A74 WeakPolarHBondContact O-CB 3.47Å; E70-A74 PolarHBondContact O-N 3.3Å; V71-A74 PolarHBondContact O-N 3.24Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.69Å; A74-N77 PolarHBondContact O-N 3.07Å; A74-L78 WeakPolarHBondContact O-CA 3.45Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 2.88Å; A74-W81 HydrophobicContact CB-CH2 4.34Å; A74-W81 HydrophobicContact CB-CZ3 3.89Å; A74-V126 HydrophobicContact CB-CG1 3.55Å; A74-A130 HydrophobicContact CB-CB 4.38Å
75L98.8Very high98.3Very high60 Ų6068 Ų6831%0.31434%0.337SS..Hα-helixtrans-58.7-43177.5-77.2170.5000112.5A27 L30 Q31 V71 T72 N77A27-L75 HydrophobicContact CB-CD2 4.28Å; L30-L75 HydrophobicContact CB-CD1 4.45Å; L30-L75 HydrophobicContact CB-CD2 3.66Å; L30-L75 HydrophobicContact CB-CG 3.86Å; L30-L75 HydrophobicContact CD1-CD2 4.16Å; L30-L75 HydrophobicContact CD1-CG 4.35Å; Q31-L75 HydrophobicContact CG-CD1 4.08Å; Q31-L75 HydrophobicContact CG-CD2 3.94Å; V71-L75 HydrophobicContact CG1-CD1 3.88Å; V71-L75 HydrophobicContact CG1-CG 4.49Å; V71-L75 WeakPolarHBondContact O-CB 3.45Å; V71-L75 WeakPolarHBondContact O-CG 3.25Å; V71-L75 PolarHBondContact O-N 3.47Å; T72-L75 PolarHBondContact O-N 2.81Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 2.84Å
76R98.7Very high98.2Very high191 Ų19174.1 Ų74.172%0.72135%0.351SS*.Hα-helixtrans-64.2-35.4179.6-173.4176.769.1-172.10.6112.5T72 L73 A74T72-R76 WeakPolarHBondContact O-CB 3.41Å; T72-R76 PolarHBondContact O-N 2.87Å; L73-R76 PolarHBondContact O-N 3.41Å; A74-R76 VanDerWaalsContact C-N 3.32Å; A74-R76 PolarHBondContact O-N 2.69Å
77N98.7Very high98.1Very high43 Ų4372.5 Ų72.523%0.2335%0.345CS..Hα-helixtrans-106.2-7.7-171.4-65.5-75.1000114.6L73 A74 L75 R79 A80 W81L73-N77 VanDerWaalsContact CD1-ND2 3.32Å; L73-N77 WeakPolarHBondContact CD1-ND2 3.19Å; L73-N77 PolarHBondContact O-N 3.17Å; L73-N77 VanDerWaalsContact O-N 3.13Å; L73-N77 PolarHBondContact O-ND2 2.88Å; A74-N77 PolarHBondContact O-N 3.07Å; L75-N77 VanDerWaalsContact C-N 3.3Å; L75-N77 PolarHBondContact O-N 2.84Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.28Å; N77-R79 VanDerWaalsContact O-N 3.17Å; N77-A80 WeakPolarHBondContact O-CA 3.34Å; N77-A80 WeakPolarHBondContact O-CB 3.28Å; N77-A80 PolarHBondContact O-N 3.34Å; N77-W81 HydrophobicContact CB-CD2 3.77Å; N77-W81 HydrophobicContact CB-CE3 4.35Å; N77-W81 HydrophobicContact CB-CG 4.23Å; N77-W81 HydrophobicContact CB-CH2 4.21Å; N77-W81 HydrophobicContact CB-CZ2 3.58Å; N77-W81 PolarHBondContact O-N 3.3Å
78L98.4Very high98Very high6 Ų678.8 Ų78.83%0.03139%0.386CS..Hα-helixtrans-48.6-51.4-169.7-178.164.4000113.1R26 A27 L30 A74 A80 W81 M82 A130R26-L78 HydrophobicContact CB-CD1 4.31Å; R26-L78 HydrophobicContact CB-CD2 4.02Å; A27-L78 HydrophobicContact CB-CD2 3.89Å; L30-L78 HydrophobicContact CD1-CD2 4.43Å; A74-L78 WeakPolarHBondContact O-CA 3.45Å; A74-L78 VanDerWaalsContact O-CB 3.28Å; A74-L78 WeakPolarHBondContact O-CB 3.32Å; A74-L78 PolarHBondContact O-N 2.88Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.12Å; L78-W81 PolarHBondContact O-N 3.28Å; L78-M82 HydrophobicContact CD1-CG 4.42Å; L78-M82 HydrophobicContact CD1-SD 3.97Å; L78-M82 HydrophobicContact CG-SD 3.95Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 2.75Å; L78-M82 PolarHBondContact O-N 2.98Å; L78-A130 HydrophobicContact CD1-CB 4.06Å; L78-A130 WeakPolarHBondContact CD1-O 3.44Å
79R97.5Very high97.9Very high190 Ų19081.9 Ų81.972%0.71740%0.399SS*.Hα-helixtrans-63.7-35.7-179.8-69.3-174.3177.6-117.5-6.8112.6E24 N77 K83E24-R79 IonicContact OE1-NH2 2.97Å; N77-R79 VanDerWaalsContact C-N 3.34Å; N77-R79 PolarHBondContact O-N 3.28Å; N77-R79 VanDerWaalsContact O-N 3.17Å; R79-K83 PolarHBondContact O-N 2.91Å
80A98.1Very high97.8Very high67 Ų6784.9 Ų84.955%0.55441%0.406SS*.Hα-helixtrans-69.7-44177.600000111N77 L78 M82 K83N77-A80 WeakPolarHBondContact O-CA 3.34Å; N77-A80 WeakPolarHBondContact O-CB 3.28Å; N77-A80 PolarHBondContact O-N 3.34Å; L78-A80 VanDerWaalsContact C-N 3.3Å; L78-A80 PolarHBondContact O-N 3.12Å; A80-M82 VanDerWaalsContact C-N 3.29Å; A80-M82 PolarHBondContact O-N 3.37Å; A80-K83 WeakPolarHBondContact O-CB 3.35Å; A80-K83 PolarHBondContact O-N 3.49Å
81W98.3Very high97.6Very high116 Ų11689.1 Ų89.144%0.43943%0.429SS..Hα-helixtrans-64.3-32.1178.1-65.2-18.1000113.5L73 A74 N77 L78 K83L73-W81 HydrophobicContact CD2-CH2 4.47Å; L73-W81 HydrophobicContact CG-CH2 4.22Å; L73-W81 HydrophobicContact CG-CZ2 4.37Å; A74-W81 HydrophobicContact CB-CH2 4.34Å; A74-W81 HydrophobicContact CB-CZ3 3.89Å; N77-W81 HydrophobicContact CB-CD2 3.77Å; N77-W81 HydrophobicContact CB-CE3 4.35Å; N77-W81 HydrophobicContact CB-CG 4.23Å; N77-W81 HydrophobicContact CB-CH2 4.21Å; N77-W81 HydrophobicContact CB-CZ2 3.58Å; N77-W81 PolarHBondContact O-N 3.3Å; L78-W81 PolarHBondContact O-N 3.28Å; W81-K83 VanDerWaalsContact C-N 3.31Å
82M97.6Very high97.5Very high53 Ų5393.5 Ų93.526%0.26147%0.466SS..THydrogen-bonded Turntrans-77.5-13.6177.9-69.9176.76500114.1A23 L78 A80A23-M82 HydrophobicContact CB-CE 3.8Å; A23-M82 HydrophobicContact CB-SD 3.75Å; L78-M82 HydrophobicContact CD1-CG 4.42Å; L78-M82 HydrophobicContact CD1-SD 3.97Å; L78-M82 HydrophobicContact CG-SD 3.95Å; L78-M82 VanDerWaalsContact O-CG 3.27Å; L78-M82 WeakPolarHBondContact O-CG 2.75Å; L78-M82 PolarHBondContact O-N 2.98Å; A80-M82 VanDerWaalsContact C-N 3.29Å; A80-M82 PolarHBondContact O-N 3.37Å
83K97.1Very high97.4Very high156 Ų15692.1 Ų92.168%0.67846%0.457SS*.SBendtrans-71.5137.8-173.2-169.4178.8175.7-1780111.4R79 A80 W81 E85R79-K83 PolarHBondContact O-N 2.91Å; A80-K83 WeakPolarHBondContact O-CB 3.35Å; A80-K83 PolarHBondContact O-N 3.49Å; W81-K83 VanDerWaalsContact C-N 3.31Å; K83-E85 PolarHBondContact O-N 3.42Å
84D97.9Very high97.1Very high47 Ų4794.8 Ų94.825%0.25147%0.468SS..PPolyproline II helixtrans-57.5132.3169.4-71.8-16.3000110.1F99 R101D84-F99 HydrophobicContact CB-CB 4.37Å; D84-F99 HydrophobicContact CB-CD2 3.88Å; D84-F99 HydrophobicContact CB-CG 4.35Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.29Å; D84-R101 WeakPolarHBondContact OD1-CA 3.33Å; D84-R101 VanDerWaalsContact OD1-CB 3.31Å; D84-R101 WeakPolarHBondContact OD1-CB 3.33Å; D84-R101 VanDerWaalsContact OD1-CG 3.32Å; D84-R101 WeakPolarHBondContact OD1-CG 3.34Å; D84-R101 IonicContact OD1-CZ 3.24Å; D84-R101 IonicContact OD1-NE 3.52Å; D84-R101 PolarHBondContact OD1-NE 3.3Å; D84-R101 IonicContact OD1-NH2 3.82Å; D84-R101 IonicContact OD2-CZ 3.16Å; D84-R101 IonicContact OD2-NE 2.68Å; D84-R101 PolarHBondContact OD2-NE 2.87Å; D84-R101 IonicContact OD2-NH2 3.47Å; D84-R101 PolarHBondContact OD2-NH2 3.31Å
85E97.5Very high97Very high104 Ų104102.8 Ų102.849%0.48651%0.51SS..EExtended strand (participates in β ladder)trans-100.8120.3178.5175.2-176.117000109.6K83 F99 I100 K102K83-E85 PolarHBondContact O-N 3.42Å; E85-F99 CarbonylContact O-C 3.41Å; E85-F99 WeakPolarHBondContact O-CA 3.32Å; E85-F99 WeakPolarHBondContact O-CB 3.21Å; E85-I100 HydrophobicContact CB-CB 4.36Å; E85-I100 PolarHBondContact N-O 3.05Å; E85-I100 PolarHBondContact O-N 3.22Å; E85-K102 IonicContact OE2-NZ 3.86Å; E85-K102 PolarHBondContact OE2-NZ 2.96Å
86R96.3Very high96.9Very high171 Ų171104.4 Ų104.465%0.64552%0.519SS*.EExtended strand (participates in β ladder)trans-73.1134.5178.7-62.9-61.8-174170.3-1.8109.5S97R86-S97 PolarHBondContact NH1-OG 3.36Å
87V96.3Very high96.7Very high46 Ų4698.9 Ų98.928%0.27951%0.51SS..  trans-110152.5178.1-62.10000111.1A98 I100V87-A98 HydrophobicContact CG2-CB 3.48Å; V87-A98 VanDerWaalsContact CG2-CB 3.48Å; V87-A98 PolarHBondContact N-O 2.88Å; V87-I100 HydrophobicContact CG1-CD1 3.61Å; V87-I100 HydrophobicContact CG1-CG1 3.71Å
88P95.8Very high96.6Very high132 Ų13298.2 Ų98.286%0.85751%0.51SS*.  trans-56.7143.9175.6-24.334.4000112.2
89K96.6Very high96.6Very high103 Ų103101.7 Ų101.745%0.44853%0.525SS..  trans-111.1155.7176.7-60.7-174.1-65.4167.40109.8T93 Q94 D96 A98K89-T93 WeakPolarHBondContact CD-O 3.42Å; K89-Q94 PolarHBondContact NZ-O 2.95Å; K89-D96 WeakPolarHBondContact CD-O 3.43Å; K89-D96 PolarHBondContact NZ-O 3.35Å; K89-A98 HydrophobicContact CD-CB 4.28Å; K89-A98 HydrophobicContact CG-CB 3.96Å
90N95.5Very high96.6Very high99 Ų9996.6 Ų96.653%0.52951%0.512SS..  trans-108.2179.3172.46630.6000110.1A92 T93 Q94N90-A92 PolarHBondContact O-N 3.38Å; N90-A92 WeakPolarHBondContact OD1-CB 3.47Å; N90-A92 PolarHBondContact OD1-N 3.44Å; N90-A92 VanDerWaalsContact OD1-N 3.07Å; N90-T93 PolarHBondContact N-OG1 3.21Å; N90-T93 CarbonylContact O-C 3.47Å; N90-T93 PolarHBondContact O-N 3.23Å; N90-T93 VanDerWaalsContact O-N 3.12Å; N90-T93 PolarHBondContact OD1-N 3.31Å; N90-T93 PolarHBondContact OD1-OG1 3.15Å; N90-Q94 PolarHBondContact O-N 3.39Å
91L95.9Very high96.6Very high147 Ų14799.7 Ų99.777%0.7751%0.509SS*.G310 helixtrans-59.4-36.5-177.5-17462.8000112.4T93 Q94L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.8Å; L91-Q94 PolarHBondContact O-N 3.26Å
92A96.2Very high96.5Very high94 Ų9498 Ų9878%0.77751%0.505SS*.G310 helixtrans-68.4-30.517900000112.6N90N90-A92 PolarHBondContact O-N 3.38Å; N90-A92 WeakPolarHBondContact OD1-CB 3.47Å; N90-A92 PolarHBondContact OD1-N 3.44Å; N90-A92 VanDerWaalsContact OD1-N 3.07Å
93T96.1Very high96.4Very high47 Ų47102 Ų10229%0.28852%0.522SS..G310 helixtrans-106.214.9-179.859.40000113.4K89 N90 L91 L95 D96K89-T93 WeakPolarHBondContact CD-O 3.42Å; N90-T93 PolarHBondContact N-OG1 3.21Å; N90-T93 CarbonylContact O-C 3.47Å; N90-T93 PolarHBondContact O-N 3.23Å; N90-T93 VanDerWaalsContact O-N 3.12Å; N90-T93 PolarHBondContact OD1-N 3.31Å; N90-T93 PolarHBondContact OD1-OG1 3.15Å; L91-T93 VanDerWaalsContact C-N 3.31Å; L91-T93 PolarHBondContact O-N 2.8Å; T93-L95 VanDerWaalsContact C-N 3.25Å; T93-L95 PolarHBondContact O-N 2.66Å; T93-D96 VanDerWaalsContact CA-OD2 3.29Å; T93-D96 WeakPolarHBondContact CA-OD2 3.44Å; T93-D96 WeakPolarHBondContact CB-OD2 3.46Å; T93-D96 WeakPolarHBondContact O-CB 3.35Å; T93-D96 PolarHBondContact O-N 3.23Å
94Q94.1Very high96.4Very high117 Ų11795.5 Ų95.555%0.54750%0.497SS..THydrogen-bonded Turntrans-60.7-34.5-170.1-174.7173.8-44.300112.8K89 N90 L91K89-Q94 PolarHBondContact NZ-O 2.95Å; N90-Q94 PolarHBondContact O-N 3.39Å; L91-Q94 PolarHBondContact O-N 3.26Å
95L96.3Very high96.4Very high170 Ų170102.8 Ų102.889%0.8953%0.526SS*.THydrogen-bonded Turntrans-84.9-7.6178.3-59.9-179.7000113.6T93T93-L95 VanDerWaalsContact C-N 3.25Å; T93-L95 PolarHBondContact O-N 2.66Å
96D96.4Very high96.3Very high93 Ų9398 Ų9850%0.49751%0.505SS..SBendtrans-84.9167.9-178.4-57.4-34.9000112.7K89 T93K89-D96 WeakPolarHBondContact CD-O 3.43Å; K89-D96 PolarHBondContact NZ-O 3.35Å; T93-D96 VanDerWaalsContact CA-OD2 3.29Å; T93-D96 WeakPolarHBondContact CA-OD2 3.44Å; T93-D96 WeakPolarHBondContact CB-OD2 3.46Å; T93-D96 WeakPolarHBondContact O-CB 3.35Å; T93-D96 PolarHBondContact O-N 3.23Å
97S95.1Very high96.3Very high75 Ų7592.3 Ų92.352%0.52449%0.487SS..  trans-105.2110.8166.91700000109.9R86 F99R86-S97 PolarHBondContact NH1-OG 3.36Å; S97-F99 WeakPolarHBondContact OG-CD1 3.37Å
98A96.2Very high96.3Very high30 Ų3092.2 Ų92.225%0.24849%0.487CS..  trans-108.2128.9176.600000111V87 K89V87-A98 HydrophobicContact CG2-CB 3.48Å; V87-A98 VanDerWaalsContact CG2-CB 3.48Å; V87-A98 PolarHBondContact N-O 2.88Å; K89-A98 HydrophobicContact CD-CB 4.28Å; K89-A98 HydrophobicContact CG-CB 3.96Å
99F97.4Very high96.4Very high79 Ų7990.7 Ų90.735%0.34647%0.471SS..EExtended strand (participates in β ladder)trans-159.1159.5177.359.4-86.9000112.2D84 E85 S97 R101D84-F99 HydrophobicContact CB-CB 4.37Å; D84-F99 HydrophobicContact CB-CD2 3.88Å; D84-F99 HydrophobicContact CB-CG 4.35Å; D84-F99 WeakPolarHBondContact OD2-CE2 3.29Å; E85-F99 CarbonylContact O-C 3.41Å; E85-F99 WeakPolarHBondContact O-CA 3.32Å; E85-F99 WeakPolarHBondContact O-CB 3.21Å; S97-F99 WeakPolarHBondContact OG-CD1 3.37Å; F99-R101 HydrophobicContact CD2-CB 4.26Å; F99-R101 HydrophobicContact CE2-CB 4.11Å
100I98.1Very high96.4Very high83 Ų8386.6 Ų86.643%0.42645%0.453SS..EExtended strand (participates in β ladder)trans-103.7114.4171.5-61.7165.7000108.4E85 V87 K102E85-I100 HydrophobicContact CB-CB 4.36Å; E85-I100 PolarHBondContact N-O 3.05Å; E85-I100 PolarHBondContact O-N 3.22Å; V87-I100 HydrophobicContact CG1-CD1 3.61Å; V87-I100 HydrophobicContact CG1-CG1 3.71Å; I100-K102 PolarHBondContact O-NZ 3.05Å
101R97.3Very high96.5Very high132 Ų13287.4 Ų87.450%0.49846%0.456SS..  trans-94.4138.3172-178.6164.2-69.6169.82.3110.8D84 F99 E103D84-R101 WeakPolarHBondContact OD1-CA 3.33Å; D84-R101 VanDerWaalsContact OD1-CB 3.31Å; D84-R101 WeakPolarHBondContact OD1-CB 3.33Å; D84-R101 VanDerWaalsContact OD1-CG 3.32Å; D84-R101 WeakPolarHBondContact OD1-CG 3.34Å; D84-R101 IonicContact OD1-CZ 3.24Å; D84-R101 IonicContact OD1-NE 3.52Å; D84-R101 PolarHBondContact OD1-NE 3.3Å; D84-R101 IonicContact OD1-NH2 3.82Å; D84-R101 IonicContact OD2-CZ 3.16Å; D84-R101 IonicContact OD2-NE 2.68Å; D84-R101 PolarHBondContact OD2-NE 2.87Å; D84-R101 IonicContact OD2-NH2 3.47Å; D84-R101 PolarHBondContact OD2-NH2 3.31Å; F99-R101 HydrophobicContact CD2-CB 4.26Å; F99-R101 HydrophobicContact CE2-CB 4.11Å; R101-E103 WeakPolarHBondContact CD-OE1 3.09Å; R101-E103 HydrophobicContact CG-CG 3.83Å
102K97.4Very high96.5Very high81 Ų8180.6 Ų80.635%0.35242%0.421SS..  trans-99.2113.1179-69.279.3-179164.60108.4E85 I100E85-K102 IonicContact OE2-NZ 3.86Å; E85-K102 PolarHBondContact OE2-NZ 2.96Å; I100-K102 PolarHBondContact O-NZ 3.05Å
103E95.6Very high96.6Very high135 Ų13578.9 Ų78.963%0.63140%0.403SS*.  trans-119.4145.2-179.7-58.3-163.7155.100111R101R101-E103 WeakPolarHBondContact CD-OE1 3.09Å; R101-E103 HydrophobicContact CG-CG 3.83Å
104P97.3Very high96.7Very high21 Ų2182.8 Ų82.814%0.13641%0.412CS..  trans-63.8149.5173.723.6-31.5000111.9F15 A131 G132 N133F15-P104 HydrophobicContact CE2-CB 3.76Å; F15-P104 HydrophobicContact CE2-CG 3.55Å; F15-P104 HydrophobicContact CZ-CB 4.16Å; F15-P104 HydrophobicContact CZ-CG 3.86Å; P104-A131 WeakPolarHBondContact CB-O 3.45Å; P104-G132 VanDerWaalsContact CB-O 3.29Å; P104-G132 WeakPolarHBondContact CB-O 3.33Å; P104-N133 WeakPolarHBondContact CB-OD1 3.47Å
105F97.1Very high96.8Very high200 Ų20080 Ų8088%0.87740%0.401SS*.  trans-72.8-31.6174.4-76.1-75.8000112.9N133F105-N133 PolarHBondContact N-OD1 2.93Å
106G95.9Very high96.9Very high4 Ų476.4 Ų76.44%0.04138%0.376CS..SBendtrans128.7-110.5-179.800000113F15 N133 C134F15-G106 VanDerWaalsContact CE1-CA 3.42Å; G106-N133 PolarHBondContact N-OD1 2.75Å; G106-N133 CarbonylContact O-C 3.55Å; G106-N133 VanDerWaalsContact O-CA 3.32Å; G106-N133 WeakPolarHBondContact O-CA 3.17Å; G106-N133 WeakPolarHBondContact O-CB 3.47Å; G106-C134 PolarHBondContact O-N 3.16Å
107L96Very high97Very high51 Ų5172 Ų7227%0.26735%0.353SS..EExtended strand (participates in β ladder)trans-98.8120.6177.4179.359.6000109.9L8 L11 R12 C134 V136L8-L107 HydrophobicContact CB-CD2 4.49Å; L8-L107 HydrophobicContact CD2-CD2 4.09Å; L11-L107 HydrophobicContact CB-CD1 3.91Å; L11-L107 HydrophobicContact CB-CD2 4.42Å; L11-L107 HydrophobicContact CD1-CD1 3.69Å; L11-L107 HydrophobicContact CG-CD1 4.43Å; R12-L107 HydrophobicContact CG-CB 4.4Å; R12-L107 HydrophobicContact CG-CD2 3.88Å; L107-C134 WeakPolarHBondContact CA-O 3.49Å; L107-C134 HydrophobicContact CD1-CB 3.92Å; L107-V136 HydrophobicContact CD1-CG2 3.92Å
108V96.8Very high97.1Very high44 Ų4468.4 Ų68.427%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-115.2144.4-177.9177.80000110.2N133 C134 V135 V136V108-N133 HydrophobicContact CG2-CB 3.89Å; V108-C134 PolarHBondContact N-O 2.94Å; V108-V135 CarbonylContact O-C 3.49Å; V108-V135 WeakPolarHBondContact O-CA 3.31Å; V108-V136 PolarHBondContact O-N 2.68Å
109L96.8Very high97.2Very high100 Ų10068.3 Ų68.352%0.52432%0.323SS..EExtended strand (participates in β ladder)trans-108.4130.1172.3172.163000109.5I111 V136 K138L109-I111 HydrophobicContact CD1-CG1 4.24Å; L109-I111 HydrophobicContact CD2-CD1 3.87Å; L109-I111 HydrophobicContact CD2-CG1 4.07Å; L109-I111 HydrophobicContact CG-CD1 4.28Å; L109-I111 HydrophobicContact CG-CG1 3.96Å; L109-V136 WeakPolarHBondContact CA-O 3.48Å; L109-V136 HydrophobicContact CD1-CB 4Å; L109-V136 HydrophobicContact CD1-CG1 3.77Å; L109-K138 HydrophobicContact CD1-CB 4.39Å
110I97.4Very high97.2Very high16 Ų1667.4 Ų67.48%0.08232%0.321CS..EExtended strand (participates in β ladder)trans-112.4118.4172.1-60.7170000107.9P124 L125 A128 V135 V136 L137 K138I110-P124 HydrophobicContact CD1-CB 4.01Å; I110-P124 HydrophobicContact CG1-CB 4.38Å; I110-P124 HydrophobicContact CG2-CB 4.2Å; I110-L125 HydrophobicContact CD1-CB 3.99Å; I110-L125 HydrophobicContact CD1-CD1 4.5Å; I110-A128 HydrophobicContact CD1-CB 4.43Å; I110-V135 HydrophobicContact CD1-CG1 3.67Å; I110-V135 HydrophobicContact CG1-CG1 4.11Å; I110-V136 PolarHBondContact N-O 3.47Å; I110-L137 HydrophobicContact CB-CD2 3.77Å; I110-L137 HydrophobicContact CD1-CD2 3.82Å; I110-L137 HydrophobicContact CG1-CD2 4.28Å; I110-L137 HydrophobicContact CG2-CD2 4.23Å; I110-K138 PolarHBondContact O-N 3.21Å
111I96.9Very high97.2Very high116 Ų11663.5 Ų63.560%0.59530%0.301SS*.EExtended strand (participates in β ladder)trans-108.1118.2173.5-62.8165.4000107.3L109 K138L109-I111 HydrophobicContact CD1-CG1 4.24Å; L109-I111 HydrophobicContact CD2-CD1 3.87Å; L109-I111 HydrophobicContact CD2-CG1 4.07Å; L109-I111 HydrophobicContact CG-CD1 4.28Å; L109-I111 HydrophobicContact CG-CG1 3.96Å; I111-K138 WeakPolarHBondContact CA-O 3.42Å; I111-K138 HydrophobicContact CG1-CB 4.34Å; I111-K138 HydrophobicContact CG1-CD 4.27Å; I111-K138 HydrophobicContact CG2-CD 4.1Å
112A97Very high97.3Very high4 Ų457.4 Ų57.43%0.03328%0.279CS..  trans-114.3139.6-176.200000111.6L120 T121 K138 P139 S140A112-L120 HydrophobicContact CB-CB 4.45Å; A112-T121 WeakPolarHBondContact CB-OG1 3.3Å; A112-K138 PolarHBondContact N-O 3.48Å; A112-K138 VanDerWaalsContact N-O 3.12Å; A112-P139 CarbonylContact O-C 3.53Å; A112-S140 PolarHBondContact O-N 2.94Å
113P97.6Very high97.3Very high59 Ų5955.4 Ų55.438%0.38327%0.273SS..  trans-79.3178175.736.4-37.2000111.6N115 L120P113-N115 WeakPolarHBondContact CG-OD1 3.44Å; P113-L120 HydrophobicContact CG-CB 4.47Å; P113-L120 HydrophobicContact CG-CD1 3.45Å; P113-L120 VanDerWaalsContact CG-CD1 3.45Å
114W97.7Very high97.5Very high129 Ų12951.9 Ų51.949%0.48926%0.262SS..SBendtrans-88.9-14.6-171.558.3-94.4000115.7L52 P117 I142L52-W114 WeakPolarHBondContact CD2-O 3.31Å; W114-P117 VanDerWaalsContact O-CD 3.31Å; W114-P117 WeakPolarHBondContact O-CD 3.37Å; W114-I142 HydrophobicContact CB-CB 3.77Å; W114-I142 HydrophobicContact CB-CG2 3.9Å; W114-I142 HydrophobicContact CD2-CG2 4.29Å; W114-I142 HydrophobicContact CG-CB 4.06Å; W114-I142 HydrophobicContact CG-CD1 4.14Å; W114-I142 HydrophobicContact CG-CG2 3.92Å
115N97.6Very high97.5Very high59 Ų5950.9 Ų50.932%0.31626%0.255SS..SBendtrans-80.4-25.4-168.860.2-48.3000114.2L52 K54 P113L52-N115 VanDerWaalsContact CD2-O 3.29Å; L52-N115 WeakPolarHBondContact CD2-O 3.32Å; K54-N115 PolarHBondContact NZ-O 3.02Å; P113-N115 WeakPolarHBondContact CG-OD1 3.44Å
116Y98.1Very high97.6Very high94 Ų9441.4 Ų41.437%0.36921%0.214SC..SBendtrans-14067.5167.9-61.3-88.8000108.8E63 L118 N119 L120E63-Y116 HydrophobicContact CG-CD1 4.33Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.31Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.36Å; Y116-L118 PolarHBondContact O-N 3.38Å; Y116-N119 PolarHBondContact O-N 3.22Å; Y116-L120 HydrophobicContact CD2-CD1 4.29Å; Y116-L120 WeakPolarHBondContact O-CB 3.47Å; Y116-L120 PolarHBondContact O-N 3.37Å
117P97.8Very high97.7Very high0 Ų042.9 Ų42.90%023%0.229CC..THydrogen-bonded Turntrans-69.1-21.4-162.329-34.5000112.9L48 L52 E63 W114 T121 S143 V146L48-P117 HydrophobicContact CD2-CG 3.84Å; L52-P117 HydrophobicContact CD1-CG 3.93Å; E63-P117 WeakPolarHBondContact OE1-CD 3.33Å; W114-P117 VanDerWaalsContact O-CD 3.31Å; W114-P117 WeakPolarHBondContact O-CD 3.37Å; P117-T121 VanDerWaalsContact O-CB 3.31Å; P117-T121 WeakPolarHBondContact O-CB 3.5Å; P117-T121 PolarHBondContact O-OG1 3.48Å; P117-S143 VanDerWaalsContact CB-OG 3.27Å; P117-S143 WeakPolarHBondContact CB-OG 3.34Å; P117-V146 HydrophobicContact CB-CB 4.29Å; P117-V146 HydrophobicContact CB-CG1 3.87Å; P117-V146 HydrophobicContact CG-CB 4.1Å; P117-V146 HydrophobicContact CG-CG1 3.95Å; P117-V146 HydrophobicContact CG-CG2 4.01Å
118L97.2Very high97.8Very high0 Ų041 Ų410%022%0.221CC..THydrogen-bonded Turntrans-83.8-55.2170.8-69.1179.3000110.8L44 L48 E63 V64 Y116 L120 T121 L122 V146 L150L44-L118 HydrophobicContact CB-CD1 3.92Å; L44-L118 HydrophobicContact CD1-CD1 4.32Å; L44-L118 HydrophobicContact CD2-CD1 3.8Å; L44-L118 HydrophobicContact CD2-CD2 3.83Å; L44-L118 HydrophobicContact CD2-CG 4.48Å; L44-L118 HydrophobicContact CG-CD1 4.22Å; L48-L118 HydrophobicContact CD1-CD1 3.8Å; L48-L118 HydrophobicContact CG-CD1 4.29Å; E63-L118 HydrophobicContact CB-CB 4.15Å; E63-L118 WeakPolarHBondContact OE2-CA 3.34Å; E63-L118 WeakPolarHBondContact OE2-CB 3.33Å; E63-L118 PolarHBondContact OE2-N 3.02Å; V64-L118 HydrophobicContact CG2-CD1 4.32Å; Y116-L118 PolarHBondContact O-N 3.38Å; L118-L120 PolarHBondContact O-N 3.5Å; L118-T121 PolarHBondContact O-N 3.17Å; L118-T121 VanDerWaalsContact O-N 3.15Å; L118-L122 HydrophobicContact CB-CD1 4.45Å; L118-L122 HydrophobicContact CD2-CD1 4.36Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.8Å; L118-V146 HydrophobicContact CD2-CG1 3.52Å; L118-V146 HydrophobicContact CG-CG1 3.83Å; L118-L150 HydrophobicContact CD2-CD1 4.15Å; L118-L150 HydrophobicContact CD2-CD2 3.74Å; L118-L150 HydrophobicContact CD2-CG 4.04Å
119N98.1Very high97.9Very high27 Ų2739.1 Ų39.114%0.14421%0.21CC..Hα-helixtrans-56.8-51.5-175.4178.635.7000112.2E63 I66 Y116 T121 L122 V123E63-N119 PolarHBondContact OE2-N 2.93Å; I66-N119 WeakPolarHBondContact CG2-OD1 3.33Å; Y116-N119 PolarHBondContact O-N 3.22Å; N119-T121 PolarHBondContact O-N 2.86Å; N119-L122 PolarHBondContact O-N 3.41Å; N119-V123 WeakPolarHBondContact O-CB 3.29Å; N119-V123 PolarHBondContact O-N 3.48Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.38Å
120L98.4Very high97.9Very high61 Ų6134.8 Ų34.832%0.31919%0.188SC..Hα-helixtrans-72.8-11.7-175.7-64172.3000113.1A112 P113 Y116 L118 P124A112-L120 HydrophobicContact CB-CB 4.45Å; P113-L120 HydrophobicContact CG-CB 4.47Å; P113-L120 HydrophobicContact CG-CD1 3.45Å; P113-L120 VanDerWaalsContact CG-CD1 3.45Å; Y116-L120 HydrophobicContact CD2-CD1 4.29Å; Y116-L120 WeakPolarHBondContact O-CB 3.47Å; Y116-L120 PolarHBondContact O-N 3.37Å; L118-L120 PolarHBondContact O-N 3.5Å; L120-P124 WeakPolarHBondContact O-CD 3.43Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å
121T97.9Very high98Very high1 Ų136 Ų361%0.00620%0.2CC..Hα-helixtrans-90.3-49.4169.1-56.40000111.1A112 P117 L118 N119 L125 L137 L150A112-T121 WeakPolarHBondContact CB-OG1 3.3Å; P117-T121 VanDerWaalsContact O-CB 3.31Å; P117-T121 WeakPolarHBondContact O-CB 3.5Å; P117-T121 PolarHBondContact O-OG1 3.48Å; L118-T121 PolarHBondContact O-N 3.17Å; L118-T121 VanDerWaalsContact O-N 3.15Å; N119-T121 PolarHBondContact O-N 2.86Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.48Å; T121-L125 PolarHBondContact O-N 3.04Å; T121-L137 HydrophobicContact CG2-CD1 4.2Å; T121-L137 HydrophobicContact CG2-CD2 4.06Å; T121-L150 HydrophobicContact CG2-CD1 4.19Å
122L98.1Very high98Very high4 Ų430.5 Ų30.52%0.02117%0.173CC..Hα-helixtrans-82.5-35.6-166.3-64-177.9000113.4F36 L37 L118 N119 L125 V126 L150 L154F36-L122 HydrophobicContact CE1-CD1 4.28Å; L37-L122 HydrophobicContact CD2-CD1 3.71Å; L37-L122 HydrophobicContact CG-CD1 4.4Å; L118-L122 HydrophobicContact CB-CD1 4.45Å; L118-L122 HydrophobicContact CD2-CD1 4.36Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 WeakPolarHBondContact O-CG 3.41Å; L118-L122 PolarHBondContact O-N 2.8Å; N119-L122 PolarHBondContact O-N 3.41Å; L122-L125 HydrophobicContact CD2-CD2 3.87Å; L122-L125 WeakPolarHBondContact O-CB 3.34Å; L122-L125 PolarHBondContact O-N 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.84Å; L122-L150 HydrophobicContact CD2-CD2 4.12Å; L122-L154 HydrophobicContact CD2-CD2 4.38Å
123V98.6Very high98Very high39 Ų3930.7 Ų30.724%0.23617%0.173CC..Hα-helixtrans-62.7-49177.1165.60000111.4I66 E70 N119 L125 V126 G127I66-V123 HydrophobicContact CG2-CG2 4.16Å; E70-V123 HydrophobicContact CB-CG2 4.11Å; E70-V123 HydrophobicContact CG-CB 4.49Å; E70-V123 HydrophobicContact CG-CG1 4.12Å; E70-V123 HydrophobicContact CG-CG2 4.28Å; N119-V123 WeakPolarHBondContact O-CB 3.29Å; N119-V123 PolarHBondContact O-N 3.48Å; N119-V123 WeakPolarHBondContact OD1-CG2 3.38Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.31Å; V123-V126 PolarHBondContact O-N 3.35Å; V123-G127 PolarHBondContact O-N 3.24Å
124P98.6Very high98Very high60 Ų6027.9 Ų27.939%0.3916%0.155SC..Hα-helixtrans-63-34.9173-23.535.4000113.1I110 L120 G127 A128I110-P124 HydrophobicContact CD1-CB 4.01Å; I110-P124 HydrophobicContact CG1-CB 4.38Å; I110-P124 HydrophobicContact CG2-CB 4.2Å; L120-P124 WeakPolarHBondContact O-CD 3.43Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å; P124-G127 PolarHBondContact O-N 2.89Å; P124-A128 WeakPolarHBondContact O-CB 3.29Å; P124-A128 PolarHBondContact O-N 3.13Å
125L98.3Very high97.9Very high0 Ų021.8 Ų21.80%013%0.132CC..Hα-helixtrans-62.7-43176.817564.2000111.7L33 I110 T121 L122 V123 G127 A128 L129 V135 L137 L154 L163L33-L125 HydrophobicContact CD1-CD2 4.04Å; L33-L125 HydrophobicContact CD1-CG 4.13Å; L33-L125 HydrophobicContact CD2-CD2 3.92Å; I110-L125 HydrophobicContact CD1-CB 3.99Å; I110-L125 HydrophobicContact CD1-CD1 4.5Å; T121-L125 VanDerWaalsContact O-CB 3.3Å; T121-L125 WeakPolarHBondContact O-CB 3.48Å; T121-L125 PolarHBondContact O-N 3.04Å; L122-L125 HydrophobicContact CD2-CD2 3.87Å; L122-L125 WeakPolarHBondContact O-CB 3.34Å; L122-L125 PolarHBondContact O-N 3.31Å; V123-L125 VanDerWaalsContact C-N 3.29Å; V123-L125 PolarHBondContact O-N 3.31Å; L125-G127 VanDerWaalsContact C-N 3.32Å; L125-G127 PolarHBondContact O-N 3.16Å; L125-A128 PolarHBondContact O-N 3.43Å; L125-L129 HydrophobicContact CD1-CD1 3.86Å; L125-L129 HydrophobicContact CD1-CD2 4.42Å; L125-L129 HydrophobicContact CD1-CG 3.9Å; L125-L129 HydrophobicContact CG-CD1 3.85Å; L125-L129 HydrophobicContact CG-CG 4.31Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.47Å; L125-V135 HydrophobicContact CD1-CB 4.06Å; L125-V135 HydrophobicContact CD1-CG1 3.8Å; L125-V135 HydrophobicContact CD1-CG2 4.12Å; L125-L137 HydrophobicContact CD1-CD2 4.24Å; L125-L137 HydrophobicContact CD2-CD1 4.03Å; L125-L154 HydrophobicContact CD2-CD2 4.2Å; L125-L163 HydrophobicContact CD1-CD1 3.64Å; L125-L163 HydrophobicContact CD2-CD2 4.44Å
126V98.6Very high97.8Very high1 Ų119.3 Ų19.31%0.00612%0.119CC..Hα-helixtrans-56.2-48.7174.8167.10000110.4L30 L33 E70 V71 A74 L122 V123 A128 L129 A130L30-V126 HydrophobicContact CD2-CB 4.27Å; L30-V126 HydrophobicContact CD2-CG1 3.75Å; L30-V126 HydrophobicContact CD2-CG2 4.33Å; L33-V126 HydrophobicContact CD1-CG2 3.81Å; E70-V126 HydrophobicContact CB-CG1 4.49Å; E70-V126 HydrophobicContact CG-CB 4Å; E70-V126 HydrophobicContact CG-CG1 3.75Å; E70-V126 HydrophobicContact CG-CG2 4.48Å; V71-V126 HydrophobicContact CG2-CG2 3.53Å; A74-V126 HydrophobicContact CB-CG1 3.55Å; L122-V126 WeakPolarHBondContact O-CG2 3.37Å; L122-V126 PolarHBondContact O-N 2.84Å; V123-V126 PolarHBondContact O-N 3.35Å; V126-A128 PolarHBondContact O-N 2.65Å; V126-L129 PolarHBondContact O-N 2.97Å; V126-A130 VanDerWaalsContact O-CB 3.23Å; V126-A130 WeakPolarHBondContact O-CB 3.27Å; V126-A130 PolarHBondContact O-N 3.32Å
127G98.4Very high97.7Very high36 Ų3614.9 Ų14.937%0.37110%0.101SC..Hα-helixtrans-59.4-45.3176.500000112.8V123 P124 L125 L129 A130 A131V123-G127 PolarHBondContact O-N 3.24Å; P124-G127 PolarHBondContact O-N 2.89Å; L125-G127 VanDerWaalsContact C-N 3.32Å; L125-G127 PolarHBondContact O-N 3.16Å; G127-L129 PolarHBondContact O-N 3.43Å; G127-A130 PolarHBondContact O-N 3.18Å; G127-A131 WeakPolarHBondContact O-CB 3.33Å; G127-A131 PolarHBondContact O-N 3.03Å
128A98.4Very high97.5Very high11 Ų1116.7 Ų16.79%0.09111%0.109CC..Hα-helixtrans-63.9-42.4-179.500000112.6I110 P124 L125 V126 A131 G132 N133 V135I110-A128 HydrophobicContact CD1-CB 4.43Å; P124-A128 WeakPolarHBondContact O-CB 3.29Å; P124-A128 PolarHBondContact O-N 3.13Å; L125-A128 PolarHBondContact O-N 3.43Å; V126-A128 PolarHBondContact O-N 2.65Å; A128-A131 PolarHBondContact O-N 2.87Å; A128-G132 PolarHBondContact O-N 2.99Å; A128-N133 WeakPolarHBondContact O-CB 3.45Å; A128-N133 PolarHBondContact O-N 2.95Å; A128-N133 PolarHBondContact O-ND2 2.86Å; A128-V135 HydrophobicContact CB-CG2 3.57Å
129L97.8Very high97.4Very high5 Ų517 Ų173%0.02611%0.111CC..Hα-helixtrans-69.4-42.6176.5-67.5172.1000111.9R26 Q29 L30 L33 L125 V126 G127 A131 G132R26-L129 WeakPolarHBondContact CG-O 3.4Å; Q29-L129 HydrophobicContact CB-CD1 4.11Å; Q29-L129 HydrophobicContact CB-CD2 4.26Å; Q29-L129 HydrophobicContact CG-CD2 4.38Å; L30-L129 HydrophobicContact CD2-CB 4.35Å; L33-L129 HydrophobicContact CD1-CD1 3.57Å; L33-L129 HydrophobicContact CG-CD1 4.15Å; L125-L129 HydrophobicContact CD1-CD1 3.86Å; L125-L129 HydrophobicContact CD1-CD2 4.42Å; L125-L129 HydrophobicContact CD1-CG 3.9Å; L125-L129 HydrophobicContact CG-CD1 3.85Å; L125-L129 HydrophobicContact CG-CG 4.31Å; L125-L129 WeakPolarHBondContact O-CB 3.28Å; L125-L129 VanDerWaalsContact O-CG 3.31Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.47Å; V126-L129 PolarHBondContact O-N 2.97Å; G127-L129 PolarHBondContact O-N 3.43Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.43Å; L129-G132 WeakPolarHBondContact O-CA 3.2Å; L129-G132 PolarHBondContact O-N 3.03Å
130A98.3Very high97.2Very high8 Ų816.2 Ų16.27%0.06611%0.108CC..Hα-helixtrans-61.7-35.717600000112R26 L30 A74 L78 V126 G127 G132R26-A130 WeakPolarHBondContact CD-O 3.44Å; R26-A130 PolarHBondContact NH1-O 3.09Å; L30-A130 HydrophobicContact CD1-CB 4.23Å; A74-A130 HydrophobicContact CB-CB 4.38Å; L78-A130 HydrophobicContact CD1-CB 4.06Å; L78-A130 WeakPolarHBondContact CD1-O 3.44Å; V126-A130 VanDerWaalsContact O-CB 3.23Å; V126-A130 WeakPolarHBondContact O-CB 3.27Å; V126-A130 PolarHBondContact O-N 3.32Å; G127-A130 PolarHBondContact O-N 3.18Å; A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.03Å
131A98.2Very high96.9Very high41 Ų4118.8 Ų18.834%0.33912%0.118SC..Hα-helixtrans-72.9-17.9173.500000113.4R26 P104 G127 A128 L129 N133R26-A131 PolarHBondContact NH1-O 3.42Å; P104-A131 WeakPolarHBondContact CB-O 3.45Å; G127-A131 WeakPolarHBondContact O-CB 3.33Å; G127-A131 PolarHBondContact O-N 3.03Å; A128-A131 PolarHBondContact O-N 2.87Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 3.43Å; A131-N133 WeakPolarHBondContact CB-ND2 3.49Å
132G97.3Very high96.8Very high2 Ų223.6 Ų23.62%0.02114%0.143CC..THydrogen-bonded Turntrans91.227.9177.400000114.2T20 P104 A128 L129 A130T20-G132 WeakPolarHBondContact CB-O 3.36Å; T20-G132 PolarHBondContact OG1-O 2.98Å; P104-G132 VanDerWaalsContact CB-O 3.29Å; P104-G132 WeakPolarHBondContact CB-O 3.33Å; A128-G132 PolarHBondContact O-N 2.99Å; L129-G132 WeakPolarHBondContact O-CA 3.2Å; L129-G132 PolarHBondContact O-N 3.03Å; A130-G132 VanDerWaalsContact C-N 3.28Å; A130-G132 PolarHBondContact O-N 3.03Å
133N98.1Very high96.8Very high8 Ų823.5 Ų23.54%0.04314%0.143CC..  trans-86.2155.1177-58.8-74.3000111.5P104 F105 G106 V108 A128 A131 V135P104-N133 WeakPolarHBondContact CB-OD1 3.47Å; F105-N133 PolarHBondContact N-OD1 2.93Å; G106-N133 PolarHBondContact N-OD1 2.75Å; G106-N133 CarbonylContact O-C 3.55Å; G106-N133 VanDerWaalsContact O-CA 3.32Å; G106-N133 WeakPolarHBondContact O-CA 3.17Å; G106-N133 WeakPolarHBondContact O-CB 3.47Å; V108-N133 HydrophobicContact CG2-CB 3.89Å; A128-N133 WeakPolarHBondContact O-CB 3.45Å; A128-N133 PolarHBondContact O-N 2.95Å; A128-N133 PolarHBondContact O-ND2 2.86Å; A131-N133 WeakPolarHBondContact CB-ND2 3.49Å; N133-V135 HydrophobicContact CB-CG2 4.48Å
134C96.5Very high96.6Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-80.1147.9154.7-70.90000109L11 G106 L107 V108 A162L11-C134 HydrophobicContact CB-CB 4.33Å; L11-C134 HydrophobicContact CD2-CB 4.22Å; L11-C134 PolarHBondContact O-SG 3.18Å; G106-C134 PolarHBondContact O-N 3.16Å; L107-C134 WeakPolarHBondContact CA-O 3.49Å; L107-C134 HydrophobicContact CD1-CB 3.92Å; V108-C134 PolarHBondContact N-O 2.94Å; C134-A162 CarbonylContact C-O 3.6Å; C134-A162 WeakPolarHBondContact CA-O 3.29Å
135V96.2Very high96.6Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-133.1139.8-170.7-1760000111.5V108 I110 L125 A128 N133 L137 A162 L163 V164V108-V135 CarbonylContact O-C 3.49Å; V108-V135 WeakPolarHBondContact O-CA 3.31Å; I110-V135 HydrophobicContact CD1-CG1 3.67Å; I110-V135 HydrophobicContact CG1-CG1 4.11Å; L125-V135 HydrophobicContact CD1-CB 4.06Å; L125-V135 HydrophobicContact CD1-CG1 3.8Å; L125-V135 HydrophobicContact CD1-CG2 4.12Å; A128-V135 HydrophobicContact CB-CG2 3.57Å; N133-V135 HydrophobicContact CB-CG2 4.48Å; V135-L137 HydrophobicContact CG1-CD2 3.82Å; V135-L137 HydrophobicContact CG1-CG 4.31Å; V135-A162 PolarHBondContact N-O 3.18Å; V135-L163 HydrophobicContact CB-CD1 3.63Å; V135-L163 HydrophobicContact CG1-CD1 3.89Å; V135-L163 WeakPolarHBondContact O-CA 3.39Å; V135-V164 PolarHBondContact O-N 3.18Å
136V95.2Very high96.6Very high8 Ų828.3 Ų28.35%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-110.9128.5165.6178.60000108.3L8 L11 L107 V108 L109 I110 V164 A166L8-V136 HydrophobicContact CD2-CG2 3.75Å; L11-V136 HydrophobicContact CD1-CG2 3.68Å; L107-V136 HydrophobicContact CD1-CG2 3.92Å; V108-V136 PolarHBondContact O-N 2.68Å; L109-V136 WeakPolarHBondContact CA-O 3.48Å; L109-V136 HydrophobicContact CD1-CB 4Å; L109-V136 HydrophobicContact CD1-CG1 3.77Å; I110-V136 PolarHBondContact N-O 3.47Å; V136-V164 VanDerWaalsContact CA-O 3.31Å; V136-V164 WeakPolarHBondContact CA-O 3.47Å; V136-A166 HydrophobicContact CG1-CB 3.34Å
137L94.9Very high96.4Very high0 Ų029.1 Ų29.10%016%0.161CC..EExtended strand (participates in β ladder)trans-103.9134.5176.3-62.1178000110.6I110 T121 L125 V135 L154 L163 V164 W165 A166I110-L137 HydrophobicContact CB-CD2 3.77Å; I110-L137 HydrophobicContact CD1-CD2 3.82Å; I110-L137 HydrophobicContact CG1-CD2 4.28Å; I110-L137 HydrophobicContact CG2-CD2 4.23Å; T121-L137 HydrophobicContact CG2-CD1 4.2Å; T121-L137 HydrophobicContact CG2-CD2 4.06Å; L125-L137 HydrophobicContact CD1-CD2 4.24Å; L125-L137 HydrophobicContact CD2-CD1 4.03Å; V135-L137 HydrophobicContact CG1-CD2 3.82Å; V135-L137 HydrophobicContact CG1-CG 4.31Å; L137-L154 HydrophobicContact CD1-CD2 4.12Å; L137-L163 HydrophobicContact CD1-CD1 3.85Å; L137-L163 HydrophobicContact CD1-CD2 4.13Å; L137-L163 HydrophobicContact CD1-CG 4.4Å; L137-L163 HydrophobicContact CG-CD1 3.84Å; L137-V164 PolarHBondContact N-O 3.46Å; L137-V164 VanDerWaalsContact N-O 3.07Å; L137-W165 HydrophobicContact CB-CD2 4.34Å; L137-W165 HydrophobicContact CB-CE3 4.36Å; L137-W165 HydrophobicContact CB-CH2 3.92Å; L137-W165 HydrophobicContact CB-CZ2 3.91Å; L137-W165 HydrophobicContact CB-CZ3 4.24Å; L137-W165 HydrophobicContact CD1-CH2 3.97Å; L137-W165 HydrophobicContact CD1-CZ2 3.29Å; L137-W165 HydrophobicContact CG-CZ2 4.23Å; L137-A166 PolarHBondContact O-N 3.12Å
138K94.4Very high96.3Very high39 Ų3932.3 Ų32.317%0.1716%0.164CC..EExtended strand (participates in β ladder)trans-133.882.3167.5-173-116.214574.90109.5L109 I110 I111 A112 E141 L168L109-K138 HydrophobicContact CD1-CB 4.39Å; I110-K138 PolarHBondContact O-N 3.21Å; I111-K138 WeakPolarHBondContact CA-O 3.42Å; I111-K138 HydrophobicContact CG1-CB 4.34Å; I111-K138 HydrophobicContact CG1-CD 4.27Å; I111-K138 HydrophobicContact CG2-CD 4.1Å; A112-K138 PolarHBondContact N-O 3.48Å; A112-K138 VanDerWaalsContact N-O 3.12Å; K138-E141 IonicContact NZ-OE2 2.78Å; K138-E141 PolarHBondContact NZ-OE2 2.94Å; K138-L168 HydrophobicContact CD-CD1 4.45Å; K138-L168 HydrophobicContact CG-CD1 4.36Å
139P94.3Very high96.2Very high6 Ų632.5 Ų32.54%0.03916%0.164CC..  trans-71.7173.5171.235.9-38.1000110.5A112 E147 W165A112-P139 CarbonylContact O-C 3.53Å; P139-E147 HydrophobicContact CG-CB 4.21Å; P139-E147 HydrophobicContact CG-CG 3.79Å; P139-W165 HydrophobicContact CG-CE3 4.44Å; P139-W165 HydrophobicContact CG-CH2 3.67Å; P139-W165 HydrophobicContact CG-CZ3 3.28Å
140S94.8Very high96.1Very high11 Ų1132.2 Ų32.28%0.07716%0.162CC..  trans-74.7132.9-178.1-173.50000112.3A112 I142 S143A112-S140 PolarHBondContact O-N 2.94Å; S140-I142 PolarHBondContact O-N 2.89Å; S140-I142 PolarHBondContact OG-N 3.3Å; S140-S143 PolarHBondContact O-N 3.42Å; S140-S143 PolarHBondContact O-OG 3.46Å; S140-S143 VanDerWaalsContact O-OG 3.04Å
141E92.8Very high95.8Very high114 Ų11433.2 Ų33.253%0.53317%0.171SC..THydrogen-bonded Turntrans-66.8-8.1170.763.5-84.8-171.300114.4K138 K144K138-E141 IonicContact NZ-OE2 2.78Å; K138-E141 PolarHBondContact NZ-OE2 2.94Å; E141-K144 WeakPolarHBondContact O-CE 3.23Å; E141-K144 WeakPolarHBondContact O-CG 3.27Å
142I95.9Very high95.6Very high103 Ų10336.7 Ų36.753%0.52818%0.18SC..THydrogen-bonded Turntrans-76.3-40.6175.5-66.2170.8000109.9W114 S140 K144W114-I142 HydrophobicContact CB-CB 3.77Å; W114-I142 HydrophobicContact CB-CG2 3.9Å; W114-I142 HydrophobicContact CD2-CG2 4.29Å; W114-I142 HydrophobicContact CG-CB 4.06Å; W114-I142 HydrophobicContact CG-CD1 4.14Å; W114-I142 HydrophobicContact CG-CG2 3.92Å; S140-I142 PolarHBondContact O-N 2.89Å; S140-I142 PolarHBondContact OG-N 3.3Å; I142-K144 PolarHBondContact O-N 3.29Å
143S96.3Very high95.6Very high2 Ų237.7 Ų37.71%0.01419%0.185CC..SBendtrans-87.469.9173.952.80000110.9D51 P117 S140 V146 E147D51-S143 WeakPolarHBondContact OD2-CA 3.39Å; P117-S143 VanDerWaalsContact CB-OG 3.27Å; P117-S143 WeakPolarHBondContact CB-OG 3.34Å; S140-S143 PolarHBondContact O-N 3.42Å; S140-S143 PolarHBondContact O-OG 3.46Å; S140-S143 VanDerWaalsContact O-OG 3.04Å; S143-V146 PolarHBondContact O-N 3.03Å; S143-E147 WeakPolarHBondContact O-CB 3.39Å; S143-E147 PolarHBondContact O-N 3.48Å
144K96.3Very high95.4Very high142 Ų14237.3 Ų37.362%0.61718%0.183SC*.Hα-helixtrans-66.2-39.9-166.8-66.4177.5-177.5175.20113.7D51 E141 I142 K148D51-K144 PolarHBondContact OD1-N 3.17Å; D51-K144 PolarHBondContact OD2-N 2.8Å; E141-K144 WeakPolarHBondContact O-CE 3.23Å; E141-K144 WeakPolarHBondContact O-CG 3.27Å; I142-K144 PolarHBondContact O-N 3.29Å; K144-K148 WeakPolarHBondContact O-CB 3.38Å; K144-K148 PolarHBondContact O-N 2.88Å
145N97.9Very high95.3Very high57 Ų5738.5 Ų38.531%0.30519%0.191SC..Hα-helixtrans-70.7-40.7-178-65.9-72000110.5A47 D51 K148 I149A47-N145 HydrophobicContact CB-CB 3.74Å; D51-N145 WeakPolarHBondContact OD1-CB 3.09Å; D51-N145 PolarHBondContact OD1-N 3.41Å; D51-N145 VanDerWaalsContact OD1-N 3.1Å; D51-N145 PolarHBondContact OD1-ND2 3.13Å; D51-N145 PolarHBondContact OD2-N 3.21Å; N145-K148 PolarHBondContact O-N 2.81Å; N145-I149 WeakPolarHBondContact O-CG1 3.4Å; N145-I149 PolarHBondContact O-N 3.3Å
146V97.3Very high95.3Very high0 Ų045.3 Ų45.30%022%0.223CC..Hα-helixtrans-65.3-46.2173.7175.60000111.2A47 L48 D51 P117 L118 S143 K148 I149 L150A47-V146 HydrophobicContact CB-CG2 3.96Å; L48-V146 HydrophobicContact CD2-CG2 3.84Å; L48-V146 HydrophobicContact CG-CG2 4.11Å; D51-V146 PolarHBondContact OD2-N 3.36Å; P117-V146 HydrophobicContact CB-CB 4.29Å; P117-V146 HydrophobicContact CB-CG1 3.87Å; P117-V146 HydrophobicContact CG-CB 4.1Å; P117-V146 HydrophobicContact CG-CG1 3.95Å; P117-V146 HydrophobicContact CG-CG2 4.01Å; L118-V146 HydrophobicContact CD2-CG1 3.52Å; L118-V146 HydrophobicContact CG-CG1 3.83Å; S143-V146 PolarHBondContact O-N 3.03Å; V146-K148 VanDerWaalsContact C-N 3.27Å; V146-K148 PolarHBondContact O-N 3.38Å; V146-I149 PolarHBondContact O-N 2.85Å; V146-L150 HydrophobicContact CG1-CD1 3.84Å; V146-L150 HydrophobicContact CG1-CG 4.19Å; V146-L150 WeakPolarHBondContact O-CB 3.34Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.28Å; V146-L150 PolarHBondContact O-N 2.96Å
147E95.6Very high95.3Very high18 Ų1846.8 Ų46.88%0.08423%0.228CC..Hα-helixtrans-53.7-47.1175.2-177.1-93.3162.300111.3P139 S143 L150 A151 R167P139-E147 HydrophobicContact CG-CB 4.21Å; P139-E147 HydrophobicContact CG-CG 3.79Å; S143-E147 WeakPolarHBondContact O-CB 3.39Å; S143-E147 PolarHBondContact O-N 3.48Å; E147-L150 PolarHBondContact O-N 2.78Å; E147-A151 WeakPolarHBondContact O-CB 3.4Å; E147-A151 PolarHBondContact O-N 2.97Å; E147-R167 IonicContact OE1-NE 3.18Å; E147-R167 PolarHBondContact OE1-NE 3.49Å; E147-R167 IonicContact OE1-NH2 3.95Å; E147-R167 IonicContact OE2-CZ 3.87Å; E147-R167 IonicContact OE2-NE 3.7Å; E147-R167 IonicContact OE2-NH2 3.11Å; E147-R167 PolarHBondContact OE2-NH2 3.07Å; E147-R167 VanDerWaalsContact OE2-NH2 3.11Å
148K95.8Very high95.3Very high103 Ų10347.4 Ų47.445%0.44823%0.232SC..Hα-helixtrans-62.1-46.8-179.9-173.4-179.2178.5-174.80112.4K144 N145 V146 L150 A151 E152K144-K148 WeakPolarHBondContact O-CB 3.38Å; K144-K148 PolarHBondContact O-N 2.88Å; N145-K148 PolarHBondContact O-N 2.81Å; V146-K148 VanDerWaalsContact C-N 3.27Å; V146-K148 PolarHBondContact O-N 3.38Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 3.39Å; K148-A151 PolarHBondContact O-N 3.22Å; K148-E152 WeakPolarHBondContact CE-OE1 3.43Å; K148-E152 WeakPolarHBondContact CE-OE2 3.32Å; K148-E152 HydrophobicContact CG-CG 4.29Å; K148-E152 WeakPolarHBondContact CG-OE1 3.37Å; K148-E152 WeakPolarHBondContact O-CB 3.32Å; K148-E152 WeakPolarHBondContact O-CG 3.42Å; K148-E152 PolarHBondContact O-N 3.39Å
149I96.7Very high95.1Very high15 Ų1547.8 Ų47.88%0.07724%0.235CC..Hα-helixtrans-61-45.5177.7-70.4161000110.3F36 L43 L44 A47 N145 V146 A151 E152 V153 L154F36-I149 HydrophobicContact CE2-CG2 4.14Å; F36-I149 HydrophobicContact CZ-CG2 4.07Å; L43-I149 HydrophobicContact CD1-CD1 4.02Å; L43-I149 HydrophobicContact CD1-CG1 4.37Å; L43-I149 HydrophobicContact CD2-CD1 4.33Å; L43-I149 HydrophobicContact CD2-CG1 4.18Å; L43-I149 HydrophobicContact CD2-CG2 4.28Å; L43-I149 HydrophobicContact CG-CD1 3.71Å; L43-I149 HydrophobicContact CG-CG1 4.09Å; L44-I149 HydrophobicContact CD2-CG2 3.8Å; A47-I149 HydrophobicContact CB-CD1 3.31Å; N145-I149 WeakPolarHBondContact O-CG1 3.4Å; N145-I149 PolarHBondContact O-N 3.3Å; V146-I149 PolarHBondContact O-N 2.85Å; I149-A151 VanDerWaalsContact C-N 3.28Å; I149-A151 PolarHBondContact O-N 3.49Å; I149-E152 PolarHBondContact O-N 3.05Å; I149-V153 HydrophobicContact CG2-CB 4.12Å; I149-V153 HydrophobicContact CG2-CG2 4.13Å; I149-V153 WeakPolarHBondContact O-CA 3.44Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 PolarHBondContact O-N 3.31Å; I149-L154 PolarHBondContact O-N 2.94Å
150L95.1Very high94.7Very high0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-63.6-37.1179.1-66.9174.2000111.1F36 L118 T121 L122 V146 E147 K148 L154 W165F36-L150 HydrophobicContact CE1-CD2 4.07Å; F36-L150 HydrophobicContact CZ-CD2 3.97Å; L118-L150 HydrophobicContact CD2-CD1 4.15Å; L118-L150 HydrophobicContact CD2-CD2 3.74Å; L118-L150 HydrophobicContact CD2-CG 4.04Å; T121-L150 HydrophobicContact CG2-CD1 4.19Å; L122-L150 HydrophobicContact CD2-CD2 4.12Å; V146-L150 HydrophobicContact CG1-CD1 3.84Å; V146-L150 HydrophobicContact CG1-CG 4.19Å; V146-L150 WeakPolarHBondContact O-CB 3.34Å; V146-L150 VanDerWaalsContact O-CG 3.28Å; V146-L150 WeakPolarHBondContact O-CG 3.28Å; V146-L150 PolarHBondContact O-N 2.96Å; E147-L150 PolarHBondContact O-N 2.78Å; K148-L150 VanDerWaalsContact C-N 3.31Å; K148-L150 PolarHBondContact O-N 3.39Å; L150-L154 HydrophobicContact CD2-CD2 4.35Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L150-W165 VanDerWaalsContact C-CE2 3.42Å; L150-W165 HydrophobicContact CB-CH2 3.1Å; L150-W165 HydrophobicContact CB-CZ2 3.26Å; L150-W165 HydrophobicContact CB-CZ3 3.95Å; L150-W165 HydrophobicContact CD1-CH2 3.86Å; L150-W165 HydrophobicContact CD1-CZ2 4.49Å; L150-W165 HydrophobicContact CG-CH2 4.08Å; L150-W165 HydrophobicContact CG-CZ2 4.35Å; L150-W165 VanDerWaalsContact O-CZ2 3.27Å; L150-W165 WeakPolarHBondContact O-CZ2 3.44Å; L150-W165 PolarHBondContact O-NE1 3.06Å
151A92.5Very high93.9Very high29 Ų2954 Ų5424%0.2427%0.269CS..Hα-helixtrans-73-35.7177.400000114.5E147 K148 I149 P155 W165E147-A151 WeakPolarHBondContact O-CB 3.4Å; E147-A151 PolarHBondContact O-N 2.97Å; K148-A151 PolarHBondContact O-N 3.22Å; I149-A151 VanDerWaalsContact C-N 3.28Å; I149-A151 PolarHBondContact O-N 3.49Å; A151-P155 VanDerWaalsContact O-CG 3.3Å; A151-P155 WeakPolarHBondContact O-CG 3.35Å; A151-W165 HydrophobicContact CB-CD2 4Å; A151-W165 HydrophobicContact CB-CE3 3.87Å; A151-W165 HydrophobicContact CB-CG 4.27Å; A151-W165 HydrophobicContact CB-CZ3 4.42Å
152E93.9Very high92.8Very high114 Ų11448.6 Ų48.653%0.53324%0.244SC..Hα-helixtrans-101.8-30.6-170.8-65.8178.7-173.600113.6K148 I149 Q156K148-E152 WeakPolarHBondContact CE-OE1 3.43Å; K148-E152 WeakPolarHBondContact CE-OE2 3.32Å; K148-E152 HydrophobicContact CG-CG 4.29Å; K148-E152 WeakPolarHBondContact CG-OE1 3.37Å; K148-E152 WeakPolarHBondContact O-CB 3.32Å; K148-E152 WeakPolarHBondContact O-CG 3.42Å; K148-E152 PolarHBondContact O-N 3.39Å; I149-E152 PolarHBondContact O-N 3.05Å; E152-Q156 PolarHBondContact O-NE2 3.38Å
153V96.4Very high91.8Very high23 Ų2344 Ų4414%0.13922%0.221CC..THydrogen-bonded Turntrans-102.9-45.3-172.8-173.60000111.5F36 L43 I149 P155 Q156 Y157F36-V153 HydrophobicContact CD2-CG1 4.15Å; F36-V153 HydrophobicContact CE2-CB 4.09Å; F36-V153 HydrophobicContact CE2-CG1 3.92Å; L43-V153 HydrophobicContact CD2-CG2 4.34Å; I149-V153 HydrophobicContact CG2-CB 4.12Å; I149-V153 HydrophobicContact CG2-CG2 4.13Å; I149-V153 WeakPolarHBondContact O-CA 3.44Å; I149-V153 VanDerWaalsContact O-CB 3.25Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 PolarHBondContact O-N 3.31Å; V153-P155 VanDerWaalsContact C-N 3.32Å; V153-Q156 VanDerWaalsContact O-CB 3.3Å; V153-Q156 WeakPolarHBondContact O-CB 3.46Å; V153-Q156 WeakPolarHBondContact O-CG 3.43Å; V153-Q156 PolarHBondContact O-N 3.21Å; V153-Y157 HydrophobicContact CG1-CE2 4.04Å; V153-Y157 WeakPolarHBondContact O-CD2 3.33Å
154L95.1Very high90.8Very high0 Ų045.3 Ų45.30%023%0.228CC..G310 helixtrans-52.9-41.5-179.8-171.559.4000113.8L33 F36 L122 L125 L137 I149 L150 Q156 Y157 V158 L163 W165L33-L154 HydrophobicContact CD2-CD1 3.54Å; L33-L154 HydrophobicContact CD2-CG 4.46Å; F36-L154 HydrophobicContact CB-CD1 4.09Å; F36-L154 HydrophobicContact CD1-CD1 3.56Å; F36-L154 HydrophobicContact CD2-CB 4.48Å; F36-L154 HydrophobicContact CD2-CD1 3.95Å; F36-L154 HydrophobicContact CE1-CD1 3.91Å; F36-L154 HydrophobicContact CE2-CB 4.23Å; F36-L154 HydrophobicContact CE2-CD1 4.27Å; F36-L154 HydrophobicContact CG-CD1 3.57Å; F36-L154 HydrophobicContact CZ-CB 4.4Å; F36-L154 HydrophobicContact CZ-CD1 4.25Å; L122-L154 HydrophobicContact CD2-CD2 4.38Å; L125-L154 HydrophobicContact CD2-CD2 4.2Å; L137-L154 HydrophobicContact CD1-CD2 4.12Å; I149-L154 PolarHBondContact O-N 2.94Å; L150-L154 HydrophobicContact CD2-CD2 4.35Å; L150-L154 WeakPolarHBondContact O-CB 3.31Å; L154-Q156 PolarHBondContact O-N 2.85Å; L154-Y157 PolarHBondContact O-N 2.89Å; L154-V158 HydrophobicContact CG-CG2 4.39Å; L154-L163 HydrophobicContact CD2-CD2 3.92Å; L154-L163 HydrophobicContact CG-CD2 4.28Å; L154-W165 HydrophobicContact CD2-CZ2 4.06Å
155P94Very high89.7Confident25 Ų2540.5 Ų40.516%0.16221%0.206CC..G310 helixtrans-64.3-7.8-179.1-24.137.3000115.2A151 V153 Y157 Q160A151-P155 VanDerWaalsContact O-CG 3.3Å; A151-P155 WeakPolarHBondContact O-CG 3.35Å; V153-P155 VanDerWaalsContact C-N 3.32Å; P155-Y157 VanDerWaalsContact C-N 3.32Å; P155-Q160 HydrophobicContact CB-CG 4.07Å; P155-Q160 PolarHBondContact O-NE2 2.78Å
156Q95.4Very high87.9Confident142 Ų14238.3 Ų38.366%0.66420%0.196SC*.G310 helixtrans-81.8-16.6174.3-54177.333.900111.7E152 V153 L154E152-Q156 PolarHBondContact O-NE2 3.38Å; V153-Q156 VanDerWaalsContact O-CB 3.3Å; V153-Q156 WeakPolarHBondContact O-CB 3.46Å; V153-Q156 WeakPolarHBondContact O-CG 3.43Å; V153-Q156 PolarHBondContact O-N 3.21Å; L154-Q156 PolarHBondContact O-N 2.85Å
157Y97Very high85.9Confident40 Ų4047.4 Ų47.416%0.15723%0.23CC..THydrogen-bonded Turntrans-106.1-17.4-174.4-71-91.3000114.1G32 R35 F36 E39 N40 V153 L154 P155G32-Y157 VanDerWaalsContact CA-O 3.25Å; G32-Y157 WeakPolarHBondContact CA-O 3.48Å; R35-Y157 HydrophobicContact CB-CD1 3.78Å; R35-Y157 HydrophobicContact CB-CE1 3.86Å; F36-Y157 HydrophobicContact CB-CD1 3.96Å; F36-Y157 HydrophobicContact CB-CD2 3.83Å; F36-Y157 HydrophobicContact CB-CE1 4.42Å; F36-Y157 HydrophobicContact CB-CE2 4.31Å; F36-Y157 HydrophobicContact CB-CG 3.64Å; F36-Y157 AromaticContact CD2-CD2 3.82Å; F36-Y157 HydrophobicContact CD2-CD2 3.82Å; F36-Y157 HydrophobicContact CD2-CE2 4.01Å; F36-Y157 HydrophobicContact CD2-CG 4.5Å; F36-Y157 HydrophobicContact CG-CD2 4.3Å; E39-Y157 WeakPolarHBondContact OE2-CE1 3.27Å; E39-Y157 PolarHBondContact OE2-OH 2.97Å; N40-Y157 WeakPolarHBondContact ND2-CE2 3.11Å; N40-Y157 PolarHBondContact ND2-OH 3.4Å; V153-Y157 HydrophobicContact CG1-CE2 4.04Å; V153-Y157 WeakPolarHBondContact O-CD2 3.33Å; L154-Y157 PolarHBondContact O-N 2.89Å; P155-Y157 VanDerWaalsContact C-N 3.32Å
158V93.8Very high83.4Confident13 Ų1351.3 Ų51.38%0.07925%0.251CS..SBendtrans-132.3156.5-174.5-61.80000111L33 L154 Q160 L163L33-V158 HydrophobicContact CD2-CG1 3.84Å; L33-V158 HydrophobicContact CG-CG1 4.18Å; L154-V158 HydrophobicContact CG-CG2 4.39Å; V158-Q160 PolarHBondContact O-N 3.42Å; V158-L163 HydrophobicContact CG2-CB 4.19Å; V158-L163 HydrophobicContact CG2-CD2 3.48Å; V158-L163 VanDerWaalsContact CG2-CD2 3.48Å; V158-L163 HydrophobicContact CG2-CG 4.44Å
159D90.9Very high80.7Confident46 Ų4658.2 Ų58.225%0.24629%0.291CS..  trans-68.5117.3-178.4-173.6-50.3000110.4R19 F25 G161 A162 L163R19-D159 IonicContact NH2-OD1 3.36Å; R19-D159 PolarHBondContact NH2-OD1 3.27Å; R19-D159 IonicContact NH2-OD2 3.06Å; R19-D159 PolarHBondContact NH2-OD2 3.06Å; F25-D159 HydrophobicContact CE2-CB 4.04Å; F25-D159 HydrophobicContact CZ-CB 3.82Å; D159-G161 PolarHBondContact O-N 2.95Å; D159-G161 WeakPolarHBondContact OD1-CA 3.38Å; D159-G161 PolarHBondContact OD1-N 2.77Å; D159-A162 HydrophobicContact CB-CB 4.47Å; D159-A162 PolarHBondContact O-N 2.74Å; D159-A162 PolarHBondContact OD1-N 2.85Å; D159-L163 PolarHBondContact O-N 3.21Å
160Q84.5Confident79.9Confident125 Ų12560.4 Ų60.458%0.58430%0.302SS*.THydrogen-bonded Turntrans-69.7-12.4-178.6-59.8-175.86.500113.8P155 V158 A162 L163 V164P155-Q160 HydrophobicContact CB-CG 4.07Å; P155-Q160 PolarHBondContact O-NE2 2.78Å; V158-Q160 PolarHBondContact O-N 3.42Å; Q160-A162 VanDerWaalsContact C-N 3.34Å; Q160-L163 CarbonylContact C-O 3.52Å; Q160-L163 WeakPolarHBondContact CA-O 3.21Å; Q160-V164 WeakPolarHBondContact O-CG2 3.43Å
161G79.1Confident79.1Confident23 Ų2363.5 Ų63.524%0.23732%0.318CS..THydrogen-bonded Turntrans-82.1-11.2169.200000113.5L11 A14 D159L11-G161 VanDerWaalsContact CD2-O 3.28Å; L11-G161 WeakPolarHBondContact CD2-O 3.4Å; A14-G161 VanDerWaalsContact CB-O 3.3Å; A14-G161 WeakPolarHBondContact CB-O 3.48Å; D159-G161 PolarHBondContact O-N 2.95Å; D159-G161 WeakPolarHBondContact OD1-CA 3.38Å; D159-G161 PolarHBondContact OD1-N 2.77Å
162A69.8Low78.3Confident1 Ų165.4 Ų65.41%0.00832%0.322CS..THydrogen-bonded Turntrans-111.4-24.917500000113.3T20 F25 C134 V135 D159 Q160T20-A162 HydrophobicContact CG2-CB 4.09Å; F25-A162 HydrophobicContact CE1-CB 3.86Å; F25-A162 HydrophobicContact CZ-CB 3.69Å; C134-A162 CarbonylContact C-O 3.6Å; C134-A162 WeakPolarHBondContact CA-O 3.29Å; V135-A162 PolarHBondContact N-O 3.18Å; D159-A162 HydrophobicContact CB-CB 4.47Å; D159-A162 PolarHBondContact O-N 2.74Å; D159-A162 PolarHBondContact OD1-N 2.85Å; Q160-A162 VanDerWaalsContact C-N 3.34Å
163L73.9Confident77.4Confident7 Ų762.6 Ų62.64%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-126129.9177.7-175.269.4000110.7L125 V135 L137 L154 V158 D159 Q160L125-L163 HydrophobicContact CD1-CD1 3.64Å; L125-L163 HydrophobicContact CD2-CD2 4.44Å; V135-L163 HydrophobicContact CB-CD1 3.63Å; V135-L163 HydrophobicContact CG1-CD1 3.89Å; V135-L163 WeakPolarHBondContact O-CA 3.39Å; L137-L163 HydrophobicContact CD1-CD1 3.85Å; L137-L163 HydrophobicContact CD1-CD2 4.13Å; L137-L163 HydrophobicContact CD1-CG 4.4Å; L137-L163 HydrophobicContact CG-CD1 3.84Å; L154-L163 HydrophobicContact CD2-CD2 3.92Å; L154-L163 HydrophobicContact CG-CD2 4.28Å; V158-L163 HydrophobicContact CG2-CB 4.19Å; V158-L163 HydrophobicContact CG2-CD2 3.48Å; V158-L163 VanDerWaalsContact CG2-CD2 3.48Å; V158-L163 HydrophobicContact CG2-CG 4.44Å; D159-L163 PolarHBondContact O-N 3.21Å; Q160-L163 CarbonylContact C-O 3.52Å; Q160-L163 WeakPolarHBondContact CA-O 3.21Å
164V76.3Confident76.2Confident29 Ų2965.1 Ų65.118%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-133151.3168.2-170.80000112T7 L11 V135 V136 L137 Q160T7-V164 HydrophobicContact CG2-CB 3.79Å; T7-V164 HydrophobicContact CG2-CG1 3.36Å; T7-V164 HydrophobicContact CG2-CG2 3.89Å; L11-V164 HydrophobicContact CD1-CB 3.99Å; L11-V164 HydrophobicContact CD1-CG2 3.83Å; L11-V164 HydrophobicContact CD2-CG2 3.79Å; L11-V164 HydrophobicContact CG-CG2 3.89Å; V135-V164 PolarHBondContact O-N 3.18Å; V136-V164 VanDerWaalsContact CA-O 3.31Å; V136-V164 WeakPolarHBondContact CA-O 3.47Å; L137-V164 PolarHBondContact N-O 3.46Å; L137-V164 VanDerWaalsContact N-O 3.07Å; Q160-V164 WeakPolarHBondContact O-CG2 3.43Å
165W72.6Confident75Confident41 Ų4169.4 Ų69.416%0.15534%0.342CS..EExtended strand (participates in β ladder)trans-88.6121.9176.1-8289.5000111.4L137 P139 L150 A151 L154L137-W165 HydrophobicContact CB-CD2 4.34Å; L137-W165 HydrophobicContact CB-CE3 4.36Å; L137-W165 HydrophobicContact CB-CH2 3.92Å; L137-W165 HydrophobicContact CB-CZ2 3.91Å; L137-W165 HydrophobicContact CB-CZ3 4.24Å; L137-W165 HydrophobicContact CD1-CH2 3.97Å; L137-W165 HydrophobicContact CD1-CZ2 3.29Å; L137-W165 HydrophobicContact CG-CZ2 4.23Å; P139-W165 HydrophobicContact CG-CE3 4.44Å; P139-W165 HydrophobicContact CG-CH2 3.67Å; P139-W165 HydrophobicContact CG-CZ3 3.28Å; L150-W165 VanDerWaalsContact C-CE2 3.42Å; L150-W165 HydrophobicContact CB-CH2 3.1Å; L150-W165 HydrophobicContact CB-CZ2 3.26Å; L150-W165 HydrophobicContact CB-CZ3 3.95Å; L150-W165 HydrophobicContact CD1-CH2 3.86Å; L150-W165 HydrophobicContact CD1-CZ2 4.49Å; L150-W165 HydrophobicContact CG-CH2 4.08Å; L150-W165 HydrophobicContact CG-CZ2 4.35Å; L150-W165 VanDerWaalsContact O-CZ2 3.27Å; L150-W165 WeakPolarHBondContact O-CZ2 3.44Å; L150-W165 PolarHBondContact O-NE1 3.06Å; A151-W165 HydrophobicContact CB-CD2 4Å; A151-W165 HydrophobicContact CB-CE3 3.87Å; A151-W165 HydrophobicContact CB-CG 4.27Å; A151-W165 HydrophobicContact CB-CZ3 4.42Å; L154-W165 HydrophobicContact CD2-CZ2 4.06Å
166A59.4Low73.6Confident10 Ų1072.6 Ų72.68%0.08336%0.355CS..  trans-98.3104169.700000109.6L4 V136 L137 L168L4-A166 HydrophobicContact CD1-CB 4.43Å; V136-A166 HydrophobicContact CG1-CB 3.34Å; L137-A166 PolarHBondContact O-N 3.12Å; A166-L168 PolarHBondContact O-N 3Å
167R56.4Low71.9Confident191 Ų19167.2 Ų67.272%0.72133%0.331SS*.  trans-83.396.8161-131.9175.2-163.5-1580.1107.5E147 L169E147-R167 IonicContact OE1-NE 3.18Å; E147-R167 PolarHBondContact OE1-NE 3.49Å; E147-R167 IonicContact OE1-NH2 3.95Å; E147-R167 IonicContact OE2-CZ 3.87Å; E147-R167 IonicContact OE2-NE 3.7Å; E147-R167 IonicContact OE2-NH2 3.11Å; E147-R167 PolarHBondContact OE2-NH2 3.07Å; E147-R167 VanDerWaalsContact OE2-NH2 3.11Å; R167-L169 PolarHBondContact O-N 3.29Å
168L43.5Very low69.8Low100 Ų10069.5 Ų69.552%0.52435%0.346SS..  trans-81.5110.2166.8-74168.6000106.6L4 K138 A166L4-L168 HydrophobicContact CD2-CD2 4.01Å; K138-L168 HydrophobicContact CD-CD1 4.45Å; K138-L168 HydrophobicContact CG-CD1 4.36Å; A166-L168 PolarHBondContact O-N 3Å
169L37.7Very low67.6Low248 Ų24874.6 Ų74.6100%1.29837%0.37SS*.  trans-5.60174.3-65.4168.9000116.9R167R167-L169 PolarHBondContact O-N 3.29Å

Retrieved 169 of 169 residues in 383.3 ms (Link to these results)

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