A0A077Z6W8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z6W8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M70.4Confident92Very high165 Ų16580.3 Ų80.381%0.81337%0.368SS*.  0150.60-71.8172.717400108.3
2K88.8Confident92.3Very high159 Ų15975.3 Ų75.369%0.69134%0.343SS*.EExtended strand (participates in β ladder)trans-84.6134.8176.3179.8178.1178-179.70108.5V76K2-V76 PolarHBondContact O-N 3Å
3Q93Very high92.6Very high111 Ų11169.5 Ų69.552%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-90.9145.2173.3-69.9-179.4-17.900111.1D37 T73 C74Q3-D37 PolarHBondContact NE2-O 3.03Å; Q3-T73 HydrophobicContact CB-CG2 4.29Å; Q3-C74 CarbonylContact C-O 3.47Å; Q3-C74 VanDerWaalsContact CA-O 3.27Å; Q3-C74 WeakPolarHBondContact CA-O 3.25Å
4K94Very high92.9Very high88 Ų8864.7 Ų64.738%0.38330%0.296SS..EExtended strand (participates in β ladder)trans-145.5133.4176.1-169.7171.2175.9-175.20109.7L6 Y50 C74 V76K4-L6 HydrophobicContact CB-CD2 4.43Å; K4-L6 HydrophobicContact CB-CG 4.39Å; K4-L6 HydrophobicContact CD-CD2 3.7Å; K4-L6 HydrophobicContact CG-CD2 3.78Å; K4-L6 HydrophobicContact CG-CG 4.21Å; K4-L6 PolarHBondContact O-N 2.84Å; K4-Y50 PolarHBondContact NZ-OH 3.3Å; K4-C74 PolarHBondContact N-O 3.49Å; K4-C74 PolarHBondContact O-N 3.19Å; K4-V76 HydrophobicContact CB-CG2 4.01Å
5R95.5Very high93.1Very high177 Ų17763.2 Ų63.267%0.66829%0.289SS*.EExtended strand (participates in β ladder)trans-78.2119.8169.9-170.1171.6-178.5174-0.5108.8T71 L72R5-T71 PolarHBondContact NE-OG1 3.45Å; R5-T71 PolarHBondContact NH2-OG1 2.95Å; R5-L72 WeakPolarHBondContact CA-O 3.39Å
6L95.6Very high93.3Very high7 Ų760.2 Ų60.24%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-122.7143.3-173.9-66.5178.6000110.4K4 V10 M11 V42 Y50 T71 L72 C74K4-L6 HydrophobicContact CB-CD2 4.43Å; K4-L6 HydrophobicContact CB-CG 4.39Å; K4-L6 HydrophobicContact CD-CD2 3.7Å; K4-L6 HydrophobicContact CG-CD2 3.78Å; K4-L6 HydrophobicContact CG-CG 4.21Å; K4-L6 PolarHBondContact O-N 2.84Å; L6-V10 HydrophobicContact CB-CG2 4.37Å; L6-M11 HydrophobicContact CB-CE 3.77Å; L6-M11 WeakPolarHBondContact O-CE 3.46Å; L6-V42 HydrophobicContact CD1-CG2 3.76Å; L6-Y50 HydrophobicContact CD1-CD1 3.72Å; L6-Y50 HydrophobicContact CD1-CD2 3.92Å; L6-Y50 HydrophobicContact CD1-CE1 4.1Å; L6-Y50 HydrophobicContact CD1-CE2 4.3Å; L6-Y50 HydrophobicContact CD1-CG 3.65Å; L6-Y50 HydrophobicContact CD2-CD2 3.94Å; L6-Y50 HydrophobicContact CD2-CE1 4.26Å; L6-Y50 HydrophobicContact CD2-CE2 3.6Å; L6-Y50 HydrophobicContact CD2-CG 4.45Å; L6-T71 CarbonylContact O-C 3.57Å; L6-T71 WeakPolarHBondContact O-CA 3.32Å; L6-T71 WeakPolarHBondContact O-CB 3.48Å; L6-L72 PolarHBondContact N-O 3.04Å; L6-L72 PolarHBondContact O-N 3.43Å; L6-C74 HydrophobicContact CD1-CB 4.01Å
7G95.4Very high93.4Very high13 Ų1362.2 Ų62.213%0.13429%0.289CS..EExtended strand (participates in β ladder)trans-69.2136.4169.400000110.5H9 V10 E70G7-H9 PolarHBondContact O-N 2.86Å; G7-H9 VanDerWaalsContact O-N 3.1Å; G7-V10 WeakPolarHBondContact O-CG2 3.4Å; G7-V10 PolarHBondContact O-N 3.08Å; G7-E70 CarbonylContact C-O 3.58Å; G7-E70 WeakPolarHBondContact CA-O 3.46Å
8V95.3Very high93.6Very high3 Ų358.7 Ų58.72%0.01827%0.273CS..G310 helixtrans-60.8-23.8177.4178.70000110.9V10 M11 F61 A64 L65 K69 E70 L72 R117V8-V10 VanDerWaalsContact C-N 3.33Å; V8-V10 PolarHBondContact O-N 2.58Å; V8-M11 HydrophobicContact CB-CE 4.48Å; V8-M11 HydrophobicContact CG2-CE 4.08Å; V8-M11 PolarHBondContact O-N 3.25Å; V8-F61 HydrophobicContact CG1-CD2 3.7Å; V8-F61 HydrophobicContact CG1-CE2 3.54Å; V8-F61 WeakPolarHBondContact O-CE2 3.33Å; V8-A64 HydrophobicContact CG2-CB 4.27Å; V8-L65 HydrophobicContact CG1-CD2 3.45Å; V8-L65 VanDerWaalsContact CG1-CD2 3.45Å; V8-L65 HydrophobicContact CG1-CG 4.02Å; V8-K69 VanDerWaalsContact CG2-O 3.27Å; V8-K69 WeakPolarHBondContact CG2-O 3.43Å; V8-E70 PolarHBondContact N-O 3.41Å; V8-L72 HydrophobicContact CG2-CD1 4.16Å; V8-L72 HydrophobicContact CG2-CG 3.94Å; V8-R117 PolarHBondContact O-NH1 3.5Å
9H93.3Very high93.7Very high129 Ų12958.1 Ų58.160%0.59727%0.272SS*.G310 helixtrans-70.9-21.5175.865.1-86.9000114.7G7G7-H9 PolarHBondContact O-N 2.86Å; G7-H9 VanDerWaalsContact O-N 3.1Å
10V95Very high93.8Very high30 Ų3055.2 Ų55.218%0.18226%0.258CS..G310 helixtrans-93.93.2176.2-59.80000113L6 G7 V8 Q49 Y50L6-V10 HydrophobicContact CB-CG2 4.37Å; G7-V10 WeakPolarHBondContact O-CG2 3.4Å; G7-V10 PolarHBondContact O-N 3.08Å; V8-V10 VanDerWaalsContact C-N 3.33Å; V8-V10 PolarHBondContact O-N 2.58Å; V10-Q49 CarbonylContact O-C 3.47Å; V10-Q49 WeakPolarHBondContact O-CA 3.19Å; V10-Y50 HydrophobicContact CB-CD2 4.38Å; V10-Y50 HydrophobicContact CG2-CD2 3.92Å; V10-Y50 HydrophobicContact CG2-CE2 4.4Å; V10-Y50 PolarHBondContact O-N 3.22Å
11M96Very high93.9Very high1 Ų157.1 Ų57.11%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-96.5143.4176.3-57.3172.5-148.600109.8L6 V8 Y50 L52 F61 L72L6-M11 HydrophobicContact CB-CE 3.77Å; L6-M11 WeakPolarHBondContact O-CE 3.46Å; V8-M11 HydrophobicContact CB-CE 4.48Å; V8-M11 HydrophobicContact CG2-CE 4.08Å; V8-M11 PolarHBondContact O-N 3.25Å; M11-Y50 CarbonylContact C-O 3.59Å; M11-Y50 WeakPolarHBondContact CA-O 3.38Å; M11-L52 HydrophobicContact CB-CD1 4.49Å; M11-L52 HydrophobicContact CB-CG 4.46Å; M11-F61 HydrophobicContact CB-CD2 3.86Å; M11-F61 HydrophobicContact CB-CE2 3.74Å; M11-F61 HydrophobicContact SD-CD2 3.97Å; M11-L72 HydrophobicContact CE-CB 3.87Å; M11-L72 HydrophobicContact CE-CD1 4.17Å; M11-L72 HydrophobicContact CE-CG 4.22Å; M11-L72 HydrophobicContact SD-CD1 4.32Å
12R95Very high95.1Very high20 Ų2050.5 Ų50.58%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-130.4135.7174.471.9-175.4-170.591.9-10.8111.9Q49 Y50 Q51 L52 D83R12-Q49 HydrophobicContact CB-CB 4.42Å; R12-Q49 HydrophobicContact CG-CB 4.17Å; R12-Y50 PolarHBondContact N-O 3.5Å; R12-Q51 HydrophobicContact CG-CG 4.32Å; R12-L52 PolarHBondContact O-N 3.29Å; R12-D83 IonicContact CZ-OD2 3.08Å; R12-D83 IonicContact NH1-OD1 3.59Å; R12-D83 IonicContact NH1-OD2 2.65Å; R12-D83 PolarHBondContact NH1-OD2 3.26Å; R12-D83 IonicContact NH2-OD2 2.71Å; R12-D83 PolarHBondContact NH2-OD2 2.91Å
13P97.1Very high95.5Very high0 Ų043 Ų430%021%0.205CC..  trans-64.2154.7170.726.5-35.2000112.3Y62 L85 Y119P13-Y62 HydrophobicContact CB-CE1 4.25Å; P13-Y62 WeakPolarHBondContact CB-OH 3.47Å; P13-Y62 HydrophobicContact CG-CE1 4.24Å; P13-L85 HydrophobicContact CB-CD2 3.92Å; P13-L85 HydrophobicContact CG-CD2 3.57Å; P13-Y119 WeakPolarHBondContact CD-OH 3.34Å; P13-Y119 HydrophobicContact CG-CE1 3.96Å; P13-Y119 HydrophobicContact CG-CE2 4.46Å
14T96.6Very high95.6Very high3 Ų339 Ų392%0.01819%0.187CC..  trans-122.3-18.4174.857.80000112.3Q51 L52 H58 P81 E84 L85T14-Q51 HydrophobicContact CG2-CB 3.77Å; T14-Q51 HydrophobicContact CG2-CG 4.03Å; T14-L52 PolarHBondContact OG1-O 3.04Å; T14-H58 PolarHBondContact N-NE2 2.97Å; T14-H58 PolarHBondContact OG1-CE1 3.36Å; T14-H58 VanDerWaalsContact OG1-CE1 3.26Å; T14-H58 PolarHBondContact OG1-NE2 3.29Å; T14-P81 HydrophobicContact CG2-CB 4.41Å; T14-P81 HydrophobicContact CG2-CG 3.81Å; T14-E84 PolarHBondContact O-N 3.38Å; T14-E84 VanDerWaalsContact O-N 3.07Å; T14-L85 WeakPolarHBondContact O-CB 3.43Å; T14-L85 PolarHBondContact O-N 3.3Å
15E96.2Very high95.7Very high42 Ų4239.6 Ų39.620%0.19619%0.191CC..  trans-90.8138.1173.5-68.9172.4-147.300111.5H55 H58E15-H55 VanDerWaalsContact OE1-CA 3.28Å; E15-H55 WeakPolarHBondContact OE1-CA 3.5Å; E15-H55 PolarHBondContact OE1-N 2.93Å; E15-H55 WeakPolarHBondContact OE2-CA 3.45Å; E15-H55 IonicContact OE2-CG 3.67Å; E15-H55 IonicContact OE2-ND1 2.9Å; E15-H55 PolarHBondContact OE2-ND1 3.14Å; E15-H58 PolarHBondContact N-NE2 3.34Å; E15-H58 IonicContact OE1-CE1 3.37Å; E15-H58 PolarHBondContact OE1-CE1 3.25Å; E15-H58 IonicContact OE1-ND1 3.21Å; E15-H58 PolarHBondContact OE1-ND1 3.21Å; E15-H58 IonicContact OE2-ND1 3.98Å
16P95.2Very high95.7Very high15 Ų1531.3 Ų31.310%0.09716%0.16CC..SBendtrans-84.7-13.3-179.431.7-34.1000114E84 L85 L92 H93P16-E84 HydrophobicContact CG-CB 4.24Å; P16-L85 HydrophobicContact CB-CD1 4.28Å; P16-L92 CarbonylContact O-C 3.4Å; P16-L92 WeakPolarHBondContact O-CA 3.37Å; P16-H93 PolarHBondContact O-N 2.89Å
17I95.4Very high95.8Very high94 Ų9431.8 Ų31.848%0.48216%0.163SC..EExtended strand (participates in β ladder)trans-105.2126.3-174.6-58.5172.7000109.9H93I17-H93 WeakPolarHBondContact CA-O 3.14Å
18I96.5Very high95.7Very high0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-100.1107.1170.8-53-177.5000107.7V20 F23 Y62 L92 H93 F94 S95 L110 L114 F121I18-V20 PolarHBondContact O-N 2.94Å; I18-V20 VanDerWaalsContact O-N 3.15Å; I18-F23 HydrophobicContact CG2-CB 4.42Å; I18-Y62 HydrophobicContact CB-CE2 4.41Å; I18-Y62 HydrophobicContact CD1-CD2 4.47Å; I18-Y62 HydrophobicContact CD1-CE1 4.37Å; I18-Y62 HydrophobicContact CD1-CE2 4.13Å; I18-Y62 HydrophobicContact CG1-CD2 4.32Å; I18-Y62 HydrophobicContact CG1-CE2 3.73Å; I18-Y62 HydrophobicContact CG2-CD2 4.02Å; I18-Y62 HydrophobicContact CG2-CE2 4.2Å; I18-L92 HydrophobicContact CD1-CB 4.46Å; I18-L92 HydrophobicContact CD1-CD1 4.31Å; I18-H93 PolarHBondContact N-O 3.47Å; I18-F94 HydrophobicContact CB-CD1 4Å; I18-F94 HydrophobicContact CB-CE1 4.22Å; I18-F94 HydrophobicContact CD1-CD1 4.36Å; I18-F94 HydrophobicContact CD1-CE1 3.81Å; I18-F94 HydrophobicContact CD1-CZ 4.09Å; I18-F94 HydrophobicContact CG2-CD1 4.09Å; I18-F94 HydrophobicContact CG2-CE1 4.1Å; I18-S95 PolarHBondContact O-N 2.74Å; I18-L110 HydrophobicContact CD1-CD2 4.07Å; I18-L110 HydrophobicContact CG2-CD2 4.42Å; I18-L114 HydrophobicContact CD1-CD1 4.26Å; I18-F121 HydrophobicContact CD1-CE1 4.35Å
19D96.3Very high95.8Very high47 Ų4739 Ų3925%0.25120%0.202SC..  trans-68.3106.2168.6-171.5-2.5000110.3D21 L22 F23 H59 S95D19-D21 VanDerWaalsContact C-N 3.33Å; D19-D21 PolarHBondContact O-N 3.35Å; D19-D21 PolarHBondContact OD1-N 2.87Å; D19-D21 VanDerWaalsContact OD1-N 3.14Å; D19-L22 HydrophobicContact CB-CB 4.18Å; D19-F23 WeakPolarHBondContact O-CB 3.11Å; D19-F23 PolarHBondContact O-N 3.18Å; D19-H59 WeakPolarHBondContact CA-NE2 3.29Å; D19-H59 WeakPolarHBondContact CB-NE2 3.26Å; D19-H59 PolarHBondContact N-NE2 3.38Å; D19-H59 PolarHBondContact O-CD2 3.47Å; D19-H59 VanDerWaalsContact O-CD2 3.26Å; D19-H59 PolarHBondContact O-NE2 3.26Å; D19-S95 WeakPolarHBondContact CA-OG 3.34Å; D19-S95 PolarHBondContact OD1-OG 2.91Å
20V95.8Very high95.9Very high0 Ų035.2 Ų35.20%018%0.182CC..Hα-helixtrans-63.1-39-177.6177.60000111.3I18 F23 M24 F94 S95 L97 E103 I107I18-V20 PolarHBondContact O-N 2.94Å; I18-V20 VanDerWaalsContact O-N 3.15Å; V20-F23 PolarHBondContact O-N 3.39Å; V20-M24 HydrophobicContact CG1-CG 4.08Å; V20-M24 VanDerWaalsContact O-CB 3.26Å; V20-M24 WeakPolarHBondContact O-CB 3.38Å; V20-M24 WeakPolarHBondContact O-CG 3.36Å; V20-M24 PolarHBondContact O-N 2.74Å; V20-F94 HydrophobicContact CG2-CB 3.84Å; V20-F94 HydrophobicContact CG2-CD1 3.91Å; V20-F94 HydrophobicContact CG2-CG 4.34Å; V20-S95 PolarHBondContact N-OG 3.49Å; V20-L97 HydrophobicContact CG1-CD2 4.42Å; V20-L97 HydrophobicContact CG2-CD2 3.85Å; V20-E103 HydrophobicContact CG1-CG 4Å; V20-I107 HydrophobicContact CG1-CD1 3.95Å; V20-I107 HydrophobicContact CG2-CD1 4.28Å
21D94.7Very high95.8Very high96 Ų9638.5 Ų38.551%0.51320%0.195SC..Hα-helixtrans-66.9-50.1-176.9-72.3-27.8000110.3D19 F23 M24 E25D19-D21 VanDerWaalsContact C-N 3.33Å; D19-D21 PolarHBondContact O-N 3.35Å; D19-D21 PolarHBondContact OD1-N 2.87Å; D19-D21 VanDerWaalsContact OD1-N 3.14Å; D21-F23 PolarHBondContact O-N 3.49Å; D21-M24 PolarHBondContact O-N 2.97Å; D21-E25 WeakPolarHBondContact O-CB 3.31Å; D21-E25 PolarHBondContact O-N 2.89Å
22L96.1Very high95.7Very high26 Ų2647.9 Ų47.914%0.13623%0.231CC..Hα-helixtrans-62.6-42.7175.8176.360.1000112.1D19 E25 L26 H59D19-L22 HydrophobicContact CB-CB 4.18Å; L22-E25 PolarHBondContact O-N 3.15Å; L22-L26 HydrophobicContact CD1-CD1 3.97Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 3.41Å; L22-H59 HydrophobicContact CD2-CB 3.93Å; L22-H59 HydrophobicContact CG-CB 3.99Å
23F96.9Very high95.5Very high0 Ų053.3 Ų53.30%026%0.257CS..Hα-helixtrans-59.8-47.4177.1168.1-123.8000111.4I18 D19 V20 D21 L26 V27 A63 V66 I106 I107 L110I18-F23 HydrophobicContact CG2-CB 4.42Å; D19-F23 WeakPolarHBondContact O-CB 3.11Å; D19-F23 PolarHBondContact O-N 3.18Å; V20-F23 PolarHBondContact O-N 3.39Å; D21-F23 PolarHBondContact O-N 3.49Å; F23-L26 PolarHBondContact O-N 3.1Å; F23-V27 HydrophobicContact CD2-CG2 3.87Å; F23-V27 HydrophobicContact CE2-CG2 3.4Å; F23-V27 VanDerWaalsContact CE2-CG2 3.4Å; F23-V27 HydrophobicContact CZ-CG2 3.84Å; F23-V27 WeakPolarHBondContact O-CG2 3.41Å; F23-V27 PolarHBondContact O-N 3.45Å; F23-A63 HydrophobicContact CD2-CB 4.45Å; F23-A63 HydrophobicContact CE2-CB 4.42Å; F23-V66 HydrophobicContact CE2-CG2 4.29Å; F23-V66 HydrophobicContact CZ-CB 4.49Å; F23-V66 HydrophobicContact CZ-CG2 3.79Å; F23-I106 HydrophobicContact CE1-CG2 3.52Å; F23-I106 HydrophobicContact CZ-CG2 3.59Å; F23-I107 HydrophobicContact CE1-CG1 4.47Å; F23-L110 HydrophobicContact CD1-CD2 4.38Å; F23-L110 HydrophobicContact CE1-CB 4.43Å; F23-L110 HydrophobicContact CE1-CD2 3.81Å; F23-L110 HydrophobicContact CE2-CD2 4.08Å; F23-L110 HydrophobicContact CZ-CB 4.06Å; F23-L110 HydrophobicContact CZ-CD1 4.49Å; F23-L110 HydrophobicContact CZ-CD2 3.67Å; F23-L110 HydrophobicContact CZ-CG 4.27Å
24M96.2Very high95.3Very high28 Ų2854.3 Ų54.314%0.13826%0.261CS..Hα-helixtrans-65.3-39.2179.2-72.2-64.8-61.300111.8V20 D21 L26 V27 T28 L102 E103 I106V20-M24 HydrophobicContact CG1-CG 4.08Å; V20-M24 VanDerWaalsContact O-CB 3.26Å; V20-M24 WeakPolarHBondContact O-CB 3.38Å; V20-M24 WeakPolarHBondContact O-CG 3.36Å; V20-M24 PolarHBondContact O-N 2.74Å; D21-M24 PolarHBondContact O-N 2.97Å; M24-L26 PolarHBondContact O-N 3.45Å; M24-V27 PolarHBondContact O-N 3.49Å; M24-T28 WeakPolarHBondContact O-CB 3.33Å; M24-T28 WeakPolarHBondContact O-CG2 3.17Å; M24-T28 PolarHBondContact O-N 2.79Å; M24-T28 PolarHBondContact O-OG1 3.42Å; M24-L102 HydrophobicContact CE-CG 4.44Å; M24-E103 HydrophobicContact CE-CB 4Å; M24-E103 HydrophobicContact CE-CG 4.48Å; M24-E103 HydrophobicContact CG-CG 4.33Å; M24-E103 HydrophobicContact SD-CB 4.27Å; M24-E103 HydrophobicContact SD-CG 4.17Å; M24-I106 HydrophobicContact CE-CD1 3.81Å; M24-I106 HydrophobicContact SD-CB 4.09Å; M24-I106 HydrophobicContact SD-CD1 4.06Å; M24-I106 HydrophobicContact SD-CG2 3.8Å
25E95.4Very high95Very high101 Ų10156.3 Ų56.347%0.47227%0.27SS..Hα-helixtrans-57.2-48.4172.9-173.3-164.7147.500111.2D21 L22 T28 N29D21-E25 WeakPolarHBondContact O-CB 3.31Å; D21-E25 PolarHBondContact O-N 2.89Å; L22-E25 PolarHBondContact O-N 3.15Å; E25-T28 PolarHBondContact O-N 2.98Å; E25-T28 PolarHBondContact O-OG1 3.13Å; E25-N29 WeakPolarHBondContact O-CB 3.41Å; E25-N29 PolarHBondContact O-N 3.38Å; E25-N29 PolarHBondContact O-ND2 2.83Å
26L96.8Very high94.8Very high2 Ų258.3 Ų58.31%0.0128%0.282CS..Hα-helixtrans-69.2-35-177.9-71.1167.8000113.2L22 F23 M24 N29 W30 Y34 H59 I60 A63L22-L26 HydrophobicContact CD1-CD1 3.97Å; L22-L26 HydrophobicContact CD1-CG 4.19Å; L22-L26 HydrophobicContact CG-CD1 4.03Å; L22-L26 WeakPolarHBondContact O-CG 3.37Å; L22-L26 PolarHBondContact O-N 3.41Å; F23-L26 PolarHBondContact O-N 3.1Å; M24-L26 PolarHBondContact O-N 3.45Å; L26-N29 CarbonylContact O-C 3.44Å; L26-W30 WeakPolarHBondContact O-CA 3.34Å; L26-W30 PolarHBondContact O-N 3.22Å; L26-Y34 HydrophobicContact CD2-CE2 3.78Å; L26-H59 HydrophobicContact CD1-CB 3.49Å; L26-H59 VanDerWaalsContact CD1-CB 3.49Å; L26-I60 HydrophobicContact CD1-CG1 4Å; L26-I60 HydrophobicContact CD2-CG1 4.14Å; L26-A63 HydrophobicContact CB-CB 3.93Å
27V96.3Very high94.5Very high17 Ų1760.1 Ų60.110%0.10329%0.291CS..Hα-helixtrans-69-42.7175172.30000110.9F23 M24 A63 V66 L67 I106F23-V27 HydrophobicContact CD2-CG2 3.87Å; F23-V27 HydrophobicContact CE2-CG2 3.4Å; F23-V27 VanDerWaalsContact CE2-CG2 3.4Å; F23-V27 HydrophobicContact CZ-CG2 3.84Å; F23-V27 WeakPolarHBondContact O-CG2 3.41Å; F23-V27 PolarHBondContact O-N 3.45Å; M24-V27 PolarHBondContact O-N 3.49Å; V27-A63 HydrophobicContact CG2-CB 3.63Å; V27-V66 HydrophobicContact CG1-CG1 4.32Å; V27-L67 HydrophobicContact CG1-CD2 4.24Å; V27-I106 HydrophobicContact CG1-CD1 3.92Å; V27-I106 HydrophobicContact CG1-CG2 4.44Å; V27-I106 HydrophobicContact CG2-CG2 4.5Å
28T94.7Very high94.2Very high78 Ų7855.8 Ų55.848%0.47927%0.27SS..Hα-helixtrans-77.7-28.1-177.453.80000113.2M24 E25M24-T28 WeakPolarHBondContact O-CB 3.33Å; M24-T28 WeakPolarHBondContact O-CG2 3.17Å; M24-T28 PolarHBondContact O-N 2.79Å; M24-T28 PolarHBondContact O-OG1 3.42Å; E25-T28 PolarHBondContact O-N 2.98Å; E25-T28 PolarHBondContact O-OG1 3.13Å
29N95.4Very high94.1Very high91 Ų9158.5 Ų58.549%0.48729%0.286SS..THydrogen-bonded Turntrans-120.852.9179.9-56-67.9000111.2E25 L26 H31E25-N29 WeakPolarHBondContact O-CB 3.41Å; E25-N29 PolarHBondContact O-N 3.38Å; E25-N29 PolarHBondContact O-ND2 2.83Å; L26-N29 CarbonylContact O-C 3.44Å; N29-H31 PolarHBondContact O-CD2 3.07Å; N29-H31 PolarHBondContact O-N 3.07Å
30W95.9Very high94.1Very high49 Ų4956.3 Ų56.319%0.18627%0.274CS..  trans-65.8119.3179.8-176.2-96.2000111.8L26 Y34 E35 I60 A63 A64 L67 K69 L72L26-W30 WeakPolarHBondContact O-CA 3.34Å; L26-W30 PolarHBondContact O-N 3.22Å; W30-Y34 HydrophobicContact CD2-CD2 4.16Å; W30-Y34 AromaticContact CE3-CD2 3.98Å; W30-Y34 HydrophobicContact CE3-CD2 3.98Å; W30-Y34 HydrophobicContact CH2-CD2 4.37Å; W30-Y34 HydrophobicContact CZ3-CD2 4.09Å; W30-E35 HydrophobicContact CZ2-CG 3.79Å; W30-E35 PolarHBondContact NE1-OE1 2.83Å; W30-I60 HydrophobicContact CH2-CG2 3.85Å; W30-I60 HydrophobicContact CZ3-CG2 4.03Å; W30-A63 HydrophobicContact CE3-CB 3.97Å; W30-A63 HydrophobicContact CZ3-CB 3.71Å; W30-A64 HydrophobicContact CH2-CB 3.82Å; W30-A64 HydrophobicContact CZ3-CB 4.37Å; W30-L67 HydrophobicContact CB-CD1 3.63Å; W30-L67 HydrophobicContact CD2-CD1 3.47Å; W30-L67 VanDerWaalsContact CD2-CD1 3.47Å; W30-L67 HydrophobicContact CE3-CD1 3.47Å; W30-L67 VanDerWaalsContact CE3-CD1 3.47Å; W30-L67 HydrophobicContact CG-CD1 3.55Å; W30-L67 HydrophobicContact CZ3-CD1 4.32Å; W30-K69 HydrophobicContact CZ2-CG 4.06Å; W30-L72 HydrophobicContact CH2-CD2 4.17Å; W30-L72 HydrophobicContact CZ2-CD2 4.14Å
31H94.3Very high94.1Very high98 Ų9857.9 Ų57.945%0.45428%0.284SS..  trans-94.4134.2173.9-66.6-90.6000110.7N29 E33 Y34N29-H31 PolarHBondContact O-CD2 3.07Å; N29-H31 PolarHBondContact O-N 3.07Å; H31-E33 PolarHBondContact O-N 3.28Å; H31-E33 VanDerWaalsContact O-N 3.13Å; H31-Y34 HydrophobicContact CB-CD2 4.04Å; H31-Y34 HydrophobicContact CB-CE1 4.29Å; H31-Y34 HydrophobicContact CB-CE2 3.79Å; H31-Y34 HydrophobicContact CB-CG 4.42Å; H31-Y34 AromaticContact CD2-CE2 3.92Å; H31-Y34 AromaticContact CD2-CZ 3.82Å; H31-Y34 PolarHBondContact CD2-OH 3.28Å; H31-Y34 WeakPolarHBondContact O-CB 3.37Å; H31-Y34 VanDerWaalsContact O-CD2 3.31Å; H31-Y34 WeakPolarHBondContact O-CD2 3.44Å; H31-Y34 PolarHBondContact O-N 2.86Å; H31-Y34 VanDerWaalsContact O-N 3.16Å
32R92.2Very high94.3Very high198 Ų19853.3 Ų53.375%0.74726%0.259SS*.G310 helixtrans-61.1-22.6177.5-170.9177.1-178.3-176.70.7113.1Y34 E35 N36R32-Y34 VanDerWaalsContact C-N 3.26Å; R32-Y34 PolarHBondContact O-N 3.39Å; R32-E35 PolarHBondContact O-N 3.2Å; R32-N36 PolarHBondContact O-ND2 3.24Å
33E92Very high94.3Very high134 Ų13453.2 Ų53.263%0.62626%0.258SS*.G310 helixtrans-59.3-37.9176.8-68.7175.7-146.300111.6H31 E35 N36 D37H31-E33 PolarHBondContact O-N 3.28Å; H31-E33 VanDerWaalsContact O-N 3.13Å; E33-E35 PolarHBondContact O-N 2.9Å; E33-N36 PolarHBondContact O-N 3.21Å; E33-D37 HydrophobicContact CB-CB 4.47Å; E33-D37 WeakPolarHBondContact O-CB 3.49Å; E33-D37 PolarHBondContact O-N 3.28Å
34Y91.8Very high94.2Very high22 Ų2256.2 Ų56.29%0.08627%0.274CS..G310 helixtrans-56.8-23.4178.4-56.8-30.1000114.1L26 W30 H31 R32 R56 I60L26-Y34 HydrophobicContact CD2-CE2 3.78Å; W30-Y34 HydrophobicContact CD2-CD2 4.16Å; W30-Y34 AromaticContact CE3-CD2 3.98Å; W30-Y34 HydrophobicContact CE3-CD2 3.98Å; W30-Y34 HydrophobicContact CH2-CD2 4.37Å; W30-Y34 HydrophobicContact CZ3-CD2 4.09Å; H31-Y34 HydrophobicContact CB-CD2 4.04Å; H31-Y34 HydrophobicContact CB-CE1 4.29Å; H31-Y34 HydrophobicContact CB-CE2 3.79Å; H31-Y34 HydrophobicContact CB-CG 4.42Å; H31-Y34 AromaticContact CD2-CE2 3.92Å; H31-Y34 AromaticContact CD2-CZ 3.82Å; H31-Y34 PolarHBondContact CD2-OH 3.28Å; H31-Y34 WeakPolarHBondContact O-CB 3.37Å; H31-Y34 VanDerWaalsContact O-CD2 3.31Å; H31-Y34 WeakPolarHBondContact O-CD2 3.44Å; H31-Y34 PolarHBondContact O-N 2.86Å; H31-Y34 VanDerWaalsContact O-N 3.16Å; R32-Y34 VanDerWaalsContact C-N 3.26Å; R32-Y34 PolarHBondContact O-N 3.39Å; Y34-R56 PolarHBondContact OH-NH2 3.37Å; Y34-I60 HydrophobicContact CD1-CD1 4.06Å; Y34-I60 HydrophobicContact CE1-CD1 4.3Å; Y34-I60 HydrophobicContact CG-CD1 4.34Å; Y34-I60 HydrophobicContact CG-CG2 4.36Å
35E92.1Very high93.8Very high44 Ų4457.5 Ų57.521%0.20628%0.282CS..G310 helixtrans-82.2-20.9177.7-60.4177.1-151.500112.6W30 R32 E33 K69 L72 T73W30-E35 HydrophobicContact CZ2-CG 3.79Å; W30-E35 PolarHBondContact NE1-OE1 2.83Å; R32-E35 PolarHBondContact O-N 3.2Å; E33-E35 PolarHBondContact O-N 2.9Å; E35-K69 WeakPolarHBondContact OE1-CE 3.46Å; E35-K69 IonicContact OE1-NZ 2.74Å; E35-K69 PolarHBondContact OE1-NZ 2.75Å; E35-L72 HydrophobicContact CB-CD2 4.45Å; E35-L72 HydrophobicContact CG-CD2 4.1Å; E35-T73 VanDerWaalsContact O-CB 3.31Å; E35-T73 WeakPolarHBondContact O-CB 3.36Å; E35-T73 PolarHBondContact O-N 3.1Å; E35-T73 PolarHBondContact O-OG1 3.46Å
36N90.9Very high93.5Very high85 Ų8556 Ų5646%0.45529%0.293SS..THydrogen-bonded Turntrans-130.9-22-161.6-59.1-67000114.9R32 E33R32-N36 PolarHBondContact O-ND2 3.24Å; E33-N36 PolarHBondContact O-N 3.21Å
37D89.5Confident92.8Very high53 Ų5361.4 Ų61.428%0.28332%0.321SS..SBendtrans-86-14.9-169.565.20.4000114.4Q3 E33 T39Q3-D37 PolarHBondContact NE2-O 3.03Å; E33-D37 HydrophobicContact CB-CB 4.47Å; E33-D37 WeakPolarHBondContact O-CB 3.49Å; E33-D37 PolarHBondContact O-N 3.28Å; D37-T39 WeakPolarHBondContact OD1-CB 3.46Å; D37-T39 PolarHBondContact OD1-N 2.98Å; D37-T39 PolarHBondContact OD1-OG1 2.8Å; D37-T39 VanDerWaalsContact OD1-OG1 3.08Å; D37-T39 WeakPolarHBondContact OD2-CB 3.37Å; D37-T39 PolarHBondContact OD2-OG1 2.93Å
38G89.2Confident92.4Very high3 Ų366.7 Ų66.73%0.03135%0.353CS..EExtended strand (participates in β ladder)trans8116.1-173.900000114.2V40 T73 S75G38-V40 VanDerWaalsContact C-N 3.26Å; G38-V40 PolarHBondContact O-N 2.84Å; G38-T73 WeakPolarHBondContact CA-O 3.44Å; G38-T73 PolarHBondContact N-O 2.99Å; G38-S75 VanDerWaalsContact O-CB 3.3Å; G38-S75 WeakPolarHBondContact O-CB 3.5Å; G38-S75 PolarHBondContact O-N 3.08Å; G38-S75 PolarHBondContact O-OG 3.19Å
39T93.4Very high92.2Very high57 Ų5766.6 Ų66.635%0.3535%0.347SS..EExtended strand (participates in β ladder)trans-62.7-32.4-179.7-76.20000112.2D37 V41 I60D37-T39 WeakPolarHBondContact OD1-CB 3.46Å; D37-T39 PolarHBondContact OD1-N 2.98Å; D37-T39 PolarHBondContact OD1-OG1 2.8Å; D37-T39 VanDerWaalsContact OD1-OG1 3.08Å; D37-T39 WeakPolarHBondContact OD2-CB 3.37Å; D37-T39 PolarHBondContact OD2-OG1 2.93Å; T39-V41 PolarHBondContact O-N 3.26Å; T39-I60 HydrophobicContact CG2-CD1 3.77Å
40V96.3Very high92.3Very high0 Ų063.3 Ų63.30%033%0.328CS..EExtended strand (participates in β ladder)trans-73.5120.6174.4179.30000109.5G38 V42 L52 I60 L72 C74 S75G38-V40 VanDerWaalsContact C-N 3.26Å; G38-V40 PolarHBondContact O-N 2.84Å; V40-V42 HydrophobicContact CG1-CG1 4.35Å; V40-L52 HydrophobicContact CG1-CD2 3.58Å; V40-I60 HydrophobicContact CG2-CB 3.96Å; V40-I60 HydrophobicContact CG2-CD1 4.35Å; V40-I60 HydrophobicContact CG2-CG2 3.49Å; V40-I60 VanDerWaalsContact CG2-CG2 3.49Å; V40-L72 HydrophobicContact CG2-CD1 4.1Å; V40-C74 CarbonylContact O-C 3.47Å; V40-C74 WeakPolarHBondContact O-CA 3.37Å; V40-C74 VanDerWaalsContact O-CB 3.29Å; V40-C74 WeakPolarHBondContact O-CB 3.3Å; V40-S75 PolarHBondContact O-N 3.39Å
41V97.1Very high92.3Very high33 Ų3361.7 Ų61.720%0.232%0.323CS..EExtended strand (participates in β ladder)trans-98.5134.7178.8-170.50000109.9T39 I53 S57 S75T39-V41 PolarHBondContact O-N 3.26Å; V41-I53 HydrophobicContact CB-CB 4.17Å; V41-I53 HydrophobicContact CG1-CB 3.98Å; V41-I53 HydrophobicContact CG1-CD1 4.06Å; V41-I53 HydrophobicContact CG1-CG1 4.39Å; V41-I53 PolarHBondContact O-N 3.48Å; V41-S57 PolarHBondContact N-OG 3.49Å; V41-S75 WeakPolarHBondContact CA-O 3.42Å
42V97.2Very high92.5Very high0 Ų057 Ų570%030%0.301CS..EExtended strand (participates in β ladder)trans-133.8157177.5-63.10000112L6 V40 Y50 Q51 L52 C74 S75 V76 S77L6-V42 HydrophobicContact CD1-CG2 3.76Å; V40-V42 HydrophobicContact CG1-CG1 4.35Å; V42-Y50 HydrophobicContact CB-CD1 4.36Å; V42-Y50 HydrophobicContact CG2-CD1 3.84Å; V42-Y50 HydrophobicContact CG2-CG 4.44Å; V42-Q51 CarbonylContact C-O 3.58Å; V42-Q51 WeakPolarHBondContact CA-O 3.41Å; V42-Q51 WeakPolarHBondContact CB-O 3.5Å; V42-L52 HydrophobicContact CG1-CD2 3.94Å; V42-C74 HydrophobicContact CG1-CB 4.23Å; V42-C74 HydrophobicContact CG2-CB 3.9Å; V42-S75 PolarHBondContact N-O 3.15Å; V42-V76 HydrophobicContact CG2-CG2 4.14Å; V42-V76 CarbonylContact O-C 3.53Å; V42-V76 WeakPolarHBondContact O-CA 3.37Å; V42-S77 PolarHBondContact O-N 3.27Å
43H96.3Very high92.7Very high25 Ų2549.4 Ų49.412%0.11628%0.275CS..EExtended strand (participates in β ladder)trans-106.8142.5165.7-175.359.6000110.3Y50 Q51 I53 S77H43-Y50 WeakPolarHBondContact O-CA 3.45Å; H43-Q51 HydrophobicContact CB-CB 4.26Å; H43-Q51 PolarHBondContact CD2-OE1 2.93Å; H43-Q51 PolarHBondContact N-O 3.43Å; H43-Q51 PolarHBondContact O-N 2.93Å; H43-I53 HydrophobicContact CB-CD1 3.89Å; H43-I53 HydrophobicContact CB-CG1 4.28Å; H43-S77 PolarHBondContact ND1-O 2.98Å
44D94.6Very high92.8Very high63 Ų6344.6 Ų44.634%0.33726%0.261SS..  trans-108.2105.7171.3-166-22000107.4G46 Y50 V76D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact OD1-N 3.48Å; D44-Y50 HydrophobicContact CB-CD1 3.98Å; D44-Y50 HydrophobicContact CB-CE1 3.52Å; D44-Y50 VanDerWaalsContact CG-CE1 3.41Å; D44-Y50 WeakPolarHBondContact OD2-CE1 3.31Å; D44-Y50 VanDerWaalsContact OD2-CZ 3.26Å; D44-Y50 PolarHBondContact OD2-OH 3.39Å; D44-V76 HydrophobicContact CB-CG1 4.17Å
45D88.6Confident93Very high55 Ų5547.2 Ų47.229%0.29427%0.274SS..  trans-89.75.4177.960.63.6000112.2L47D45-L47 VanDerWaalsContact C-N 3.26Å; D45-L47 WeakPolarHBondContact OD1-CB 3.15Å; D45-L47 WeakPolarHBondContact OD1-CG 3.38Å; D45-L47 PolarHBondContact OD1-N 2.85Å; D45-L47 WeakPolarHBondContact OD2-CD1 3.36Å
46G87.9Confident93.1Very high68 Ų6850.3 Ų50.370%0.70128%0.284SS*.SBendtrans78.84.4-174.200000114.2D44D44-G46 VanDerWaalsContact C-N 3.29Å; D44-G46 PolarHBondContact OD1-N 3.48Å
47L83.9Confident93.4Very high116 Ų11646.6 Ų46.661%0.60727%0.265SS*.SBendtrans-85.8-178.6170.5-55.4-179.3000111.1D45 Q49D45-L47 VanDerWaalsContact C-N 3.26Å; D45-L47 WeakPolarHBondContact OD1-CB 3.15Å; D45-L47 WeakPolarHBondContact OD1-CG 3.38Å; D45-L47 PolarHBondContact OD1-N 2.85Å; D45-L47 WeakPolarHBondContact OD2-CD1 3.36Å; L47-Q49 PolarHBondContact O-N 3.16Å
48V86.7Confident93.8Very high128 Ų12844 Ų4478%0.77625%0.251SS*.SBendtrans-66.6-25.5-179.1179.70000112.1
49Q92Very high94.2Very high76 Ų7643.9 Ų43.936%0.35525%0.25SC..SBendtrans-119.2139.1-172-69.3-179-27.700112.4V10 R12 L47V10-Q49 CarbonylContact O-C 3.47Å; V10-Q49 WeakPolarHBondContact O-CA 3.19Å; R12-Q49 HydrophobicContact CB-CB 4.42Å; R12-Q49 HydrophobicContact CG-CB 4.17Å; L47-Q49 PolarHBondContact O-N 3.16Å
50Y96Very high94.4Very high22 Ų2241.2 Ų41.29%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-83124.2173.3-72.8-92.7000110.2K4 L6 V10 M11 R12 V42 H43 D44K4-Y50 PolarHBondContact NZ-OH 3.3Å; L6-Y50 HydrophobicContact CD1-CD1 3.72Å; L6-Y50 HydrophobicContact CD1-CD2 3.92Å; L6-Y50 HydrophobicContact CD1-CE1 4.1Å; L6-Y50 HydrophobicContact CD1-CE2 4.3Å; L6-Y50 HydrophobicContact CD1-CG 3.65Å; L6-Y50 HydrophobicContact CD2-CD2 3.94Å; L6-Y50 HydrophobicContact CD2-CE1 4.26Å; L6-Y50 HydrophobicContact CD2-CE2 3.6Å; L6-Y50 HydrophobicContact CD2-CG 4.45Å; V10-Y50 HydrophobicContact CB-CD2 4.38Å; V10-Y50 HydrophobicContact CG2-CD2 3.92Å; V10-Y50 HydrophobicContact CG2-CE2 4.4Å; V10-Y50 PolarHBondContact O-N 3.22Å; M11-Y50 CarbonylContact C-O 3.59Å; M11-Y50 WeakPolarHBondContact CA-O 3.38Å; R12-Y50 PolarHBondContact N-O 3.5Å; V42-Y50 HydrophobicContact CB-CD1 4.36Å; V42-Y50 HydrophobicContact CG2-CD1 3.84Å; V42-Y50 HydrophobicContact CG2-CG 4.44Å; H43-Y50 WeakPolarHBondContact O-CA 3.45Å; D44-Y50 HydrophobicContact CB-CD1 3.98Å; D44-Y50 HydrophobicContact CB-CE1 3.52Å; D44-Y50 VanDerWaalsContact CG-CE1 3.41Å; D44-Y50 WeakPolarHBondContact OD2-CE1 3.31Å; D44-Y50 VanDerWaalsContact OD2-CZ 3.26Å; D44-Y50 PolarHBondContact OD2-OH 3.39Å
51Q96.5Very high94.5Very high15 Ų1541.2 Ų41.27%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-77.2126.8175.9-72.4176.9-46.500110.4R12 T14 V42 H43 P81 D83R12-Q51 HydrophobicContact CG-CG 4.32Å; T14-Q51 HydrophobicContact CG2-CB 3.77Å; T14-Q51 HydrophobicContact CG2-CG 4.03Å; V42-Q51 CarbonylContact C-O 3.58Å; V42-Q51 WeakPolarHBondContact CA-O 3.41Å; V42-Q51 WeakPolarHBondContact CB-O 3.5Å; H43-Q51 HydrophobicContact CB-CB 4.26Å; H43-Q51 PolarHBondContact CD2-OE1 2.93Å; H43-Q51 PolarHBondContact N-O 3.43Å; H43-Q51 PolarHBondContact O-N 2.93Å; Q51-P81 HydrophobicContact CB-CG 3.8Å; Q51-D83 PolarHBondContact NE2-OD2 2.83Å
52L97.5Very high94.5Very high0 Ų039.6 Ų39.60%022%0.224CC..EExtended strand (participates in β ladder)trans-69.4141.4173.7-73.3159.9000110.7M11 R12 T14 V40 V42 H58 F61M11-L52 HydrophobicContact CB-CD1 4.49Å; M11-L52 HydrophobicContact CB-CG 4.46Å; R12-L52 PolarHBondContact O-N 3.29Å; T14-L52 PolarHBondContact OG1-O 3.04Å; V40-L52 HydrophobicContact CG1-CD2 3.58Å; V42-L52 HydrophobicContact CG1-CD2 3.94Å; L52-H58 WeakPolarHBondContact CB-NE2 3.38Å; L52-H58 PolarHBondContact O-CE1 3.06Å; L52-F61 HydrophobicContact CD1-CB 3.6Å; L52-F61 HydrophobicContact CD1-CD1 3.5Å; L52-F61 VanDerWaalsContact CD1-CD1 3.5Å; L52-F61 HydrophobicContact CD1-CD2 3.98Å; L52-F61 HydrophobicContact CD1-CE1 4.12Å; L52-F61 HydrophobicContact CD1-CG 3.41Å; L52-F61 VanDerWaalsContact CD1-CG 3.41Å; L52-F61 HydrophobicContact CD2-CB 4.13Å
53I96.5Very high94.5Very high38 Ų3839.6 Ų39.620%0.19522%0.224CC..EExtended strand (participates in β ladder)trans-119.7124.4178-50.7-175.5000110V41 H43 S57 S77 Q79 P81V41-I53 HydrophobicContact CB-CB 4.17Å; V41-I53 HydrophobicContact CG1-CB 3.98Å; V41-I53 HydrophobicContact CG1-CD1 4.06Å; V41-I53 HydrophobicContact CG1-CG1 4.39Å; V41-I53 PolarHBondContact O-N 3.48Å; H43-I53 HydrophobicContact CB-CD1 3.89Å; H43-I53 HydrophobicContact CB-CG1 4.28Å; I53-S57 WeakPolarHBondContact O-CB 3.28Å; I53-S57 PolarHBondContact O-OG 3.26Å; I53-S77 VanDerWaalsContact CD1-CB 3.47Å; I53-Q79 VanDerWaalsContact CD1-O 3.25Å; I53-Q79 WeakPolarHBondContact CD1-O 3.42Å; I53-P81 HydrophobicContact CG1-CB 4.13Å; I53-P81 HydrophobicContact CG1-CG 4.05Å
54G94.6Very high94.6Very high33 Ų3338.4 Ų38.434%0.3422%0.218SC..SBendtrans84.9146.5170.700000113.2R56 S57 H58G54-R56 PolarHBondContact O-N 3.04Å; G54-S57 WeakPolarHBondContact O-CB 3.41Å; G54-S57 PolarHBondContact O-N 3.21Å; G54-H58 PolarHBondContact O-N 2.83Å; G54-H58 PolarHBondContact O-ND1 3.44Å
55H95.3Very high94.7Very high77 Ų7736 Ų3636%0.35621%0.205SC..Hα-helixtrans-53-48.6-169.9-16966.2000113.5E15 S57 H58 H59E15-H55 VanDerWaalsContact OE1-CA 3.28Å; E15-H55 WeakPolarHBondContact OE1-CA 3.5Å; E15-H55 PolarHBondContact OE1-N 2.93Å; E15-H55 WeakPolarHBondContact OE2-CA 3.45Å; E15-H55 IonicContact OE2-CG 3.67Å; E15-H55 IonicContact OE2-ND1 2.9Å; E15-H55 PolarHBondContact OE2-ND1 3.14Å; H55-S57 VanDerWaalsContact C-N 3.35Å; H55-S57 PolarHBondContact O-N 2.99Å; H55-H58 WeakPolarHBondContact O-CB 3.39Å; H55-H58 PolarHBondContact O-N 3.25Å; H55-H59 AromaticContact CE1-CE1 3.1Å; H55-H59 PolarHBondContact CE1-CE1 2.83Å; H55-H59 AromaticContact CE1-ND1 3.8Å; H55-H59 AromaticContact CE1-NE2 3.79Å; H55-H59 AromaticContact ND1-CE1 3.46Å; H55-H59 PolarHBondContact ND1-CE1 3.24Å; H55-H59 AromaticContact ND1-ND1 3.9Å; H55-H59 AromaticContact NE2-CE1 3.51Å; H55-H59 AromaticContact NE2-ND1 3.9Å; H55-H59 PolarHBondContact O-N 3.24Å; H55-H59 PolarHBondContact O-ND1 3.48Å
56R95.9Very high95.1Very high109 Ų10933.8 Ų33.841%0.41119%0.194SC..Hα-helixtrans-63.4-37.7-179.5-167.1177.5-177.588.80.4113Y34 G54 H58 H59 I60Y34-R56 PolarHBondContact OH-NH2 3.37Å; G54-R56 PolarHBondContact O-N 3.04Å; R56-H58 VanDerWaalsContact C-N 3.31Å; R56-H58 PolarHBondContact O-N 3.32Å; R56-H59 PolarHBondContact O-N 3.01Å; R56-I60 HydrophobicContact CG-CD1 3.99Å; R56-I60 HydrophobicContact CG-CG1 4.38Å; R56-I60 WeakPolarHBondContact O-CG1 3.19Å; R56-I60 PolarHBondContact O-N 2.91Å
57S97.1Very high95.4Very high7 Ų733.3 Ų33.35%0.04918%0.175CC..Hα-helixtrans-60.7-42.2177.7-57.50000111.4V41 I53 G54 H55 H59 F61V41-S57 PolarHBondContact N-OG 3.49Å; I53-S57 WeakPolarHBondContact O-CB 3.28Å; I53-S57 PolarHBondContact O-OG 3.26Å; G54-S57 WeakPolarHBondContact O-CB 3.41Å; G54-S57 PolarHBondContact O-N 3.21Å; H55-S57 VanDerWaalsContact C-N 3.35Å; H55-S57 PolarHBondContact O-N 2.99Å; S57-H59 VanDerWaalsContact C-N 3.35Å; S57-H59 PolarHBondContact O-N 3.25Å; S57-F61 WeakPolarHBondContact O-CB 3.4Å; S57-F61 PolarHBondContact O-N 3.07Å
58H97.8Very high96Very high0 Ų033.8 Ų33.80%018%0.178CC..Hα-helixtrans-58.1-46.5175.4-68.192.4000111.9T14 E15 L52 G54 H55 R56 F61 Y62T14-H58 PolarHBondContact N-NE2 2.97Å; T14-H58 PolarHBondContact OG1-CE1 3.36Å; T14-H58 VanDerWaalsContact OG1-CE1 3.26Å; T14-H58 PolarHBondContact OG1-NE2 3.29Å; E15-H58 PolarHBondContact N-NE2 3.34Å; E15-H58 IonicContact OE1-CE1 3.37Å; E15-H58 PolarHBondContact OE1-CE1 3.25Å; E15-H58 IonicContact OE1-ND1 3.21Å; E15-H58 PolarHBondContact OE1-ND1 3.21Å; E15-H58 IonicContact OE2-ND1 3.98Å; L52-H58 WeakPolarHBondContact CB-NE2 3.38Å; L52-H58 PolarHBondContact O-CE1 3.06Å; G54-H58 PolarHBondContact O-N 2.83Å; G54-H58 PolarHBondContact O-ND1 3.44Å; H55-H58 WeakPolarHBondContact O-CB 3.39Å; H55-H58 PolarHBondContact O-N 3.25Å; R56-H58 VanDerWaalsContact C-N 3.31Å; R56-H58 PolarHBondContact O-N 3.32Å; H58-F61 WeakPolarHBondContact O-CB 3.38Å; H58-F61 PolarHBondContact O-N 3.34Å; H58-Y62 HydrophobicContact CB-CE2 4.01Å; H58-Y62 WeakPolarHBondContact O-CD2 3.36Å; H58-Y62 VanDerWaalsContact O-CG 3.28Å; H58-Y62 PolarHBondContact O-N 2.91Å
59H97.9Very high96.4Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-74.7-35.3-174.9-65.869.6000112.5D19 L22 L26 H55 R56 S57 F61 Y62 A63D19-H59 WeakPolarHBondContact CA-NE2 3.29Å; D19-H59 WeakPolarHBondContact CB-NE2 3.26Å; D19-H59 PolarHBondContact N-NE2 3.38Å; D19-H59 PolarHBondContact O-CD2 3.47Å; D19-H59 VanDerWaalsContact O-CD2 3.26Å; D19-H59 PolarHBondContact O-NE2 3.26Å; L22-H59 HydrophobicContact CD2-CB 3.93Å; L22-H59 HydrophobicContact CG-CB 3.99Å; L26-H59 HydrophobicContact CD1-CB 3.49Å; L26-H59 VanDerWaalsContact CD1-CB 3.49Å; H55-H59 AromaticContact CE1-CE1 3.1Å; H55-H59 PolarHBondContact CE1-CE1 2.83Å; H55-H59 AromaticContact CE1-ND1 3.8Å; H55-H59 AromaticContact CE1-NE2 3.79Å; H55-H59 AromaticContact ND1-CE1 3.46Å; H55-H59 PolarHBondContact ND1-CE1 3.24Å; H55-H59 AromaticContact ND1-ND1 3.9Å; H55-H59 AromaticContact NE2-CE1 3.51Å; H55-H59 AromaticContact NE2-ND1 3.9Å; H55-H59 PolarHBondContact O-N 3.24Å; H55-H59 PolarHBondContact O-ND1 3.48Å; R56-H59 PolarHBondContact O-N 3.01Å; S57-H59 VanDerWaalsContact C-N 3.35Å; S57-H59 PolarHBondContact O-N 3.25Å; H59-F61 VanDerWaalsContact C-N 3.29Å; H59-F61 PolarHBondContact O-N 2.88Å; H59-Y62 PolarHBondContact O-N 3.49Å; H59-A63 WeakPolarHBondContact O-CB 3.24Å; H59-A63 PolarHBondContact O-N 2.97Å
60I97.6Very high96.5Very high0 Ų034.9 Ų34.90%017%0.173CC..Hα-helixtrans-62.4-41.7170.2-67.7170.4000109.9L26 W30 Y34 T39 V40 R56 A63 A64 L72L26-I60 HydrophobicContact CD1-CG1 4Å; L26-I60 HydrophobicContact CD2-CG1 4.14Å; W30-I60 HydrophobicContact CH2-CG2 3.85Å; W30-I60 HydrophobicContact CZ3-CG2 4.03Å; Y34-I60 HydrophobicContact CD1-CD1 4.06Å; Y34-I60 HydrophobicContact CE1-CD1 4.3Å; Y34-I60 HydrophobicContact CG-CD1 4.34Å; Y34-I60 HydrophobicContact CG-CG2 4.36Å; T39-I60 HydrophobicContact CG2-CD1 3.77Å; V40-I60 HydrophobicContact CG2-CB 3.96Å; V40-I60 HydrophobicContact CG2-CD1 4.35Å; V40-I60 HydrophobicContact CG2-CG2 3.49Å; V40-I60 VanDerWaalsContact CG2-CG2 3.49Å; R56-I60 HydrophobicContact CG-CD1 3.99Å; R56-I60 HydrophobicContact CG-CG1 4.38Å; R56-I60 WeakPolarHBondContact O-CG1 3.19Å; R56-I60 PolarHBondContact O-N 2.91Å; I60-A63 PolarHBondContact O-N 3.34Å; I60-A64 VanDerWaalsContact O-CB 3.29Å; I60-A64 WeakPolarHBondContact O-CB 3.45Å; I60-A64 PolarHBondContact O-N 3.24Å; I60-L72 HydrophobicContact CG2-CD1 4.44Å
61F97.6Very high96.5Very high0 Ų035.6 Ų35.60%018%0.18CC..Hα-helixtrans-60.8-47.1174.4161-97.9000112.3V8 M11 L52 S57 H58 H59 A63 A64 L65 L114V8-F61 HydrophobicContact CG1-CD2 3.7Å; V8-F61 HydrophobicContact CG1-CE2 3.54Å; V8-F61 WeakPolarHBondContact O-CE2 3.33Å; M11-F61 HydrophobicContact CB-CD2 3.86Å; M11-F61 HydrophobicContact CB-CE2 3.74Å; M11-F61 HydrophobicContact SD-CD2 3.97Å; L52-F61 HydrophobicContact CD1-CB 3.6Å; L52-F61 HydrophobicContact CD1-CD1 3.5Å; L52-F61 VanDerWaalsContact CD1-CD1 3.5Å; L52-F61 HydrophobicContact CD1-CD2 3.98Å; L52-F61 HydrophobicContact CD1-CE1 4.12Å; L52-F61 HydrophobicContact CD1-CG 3.41Å; L52-F61 VanDerWaalsContact CD1-CG 3.41Å; L52-F61 HydrophobicContact CD2-CB 4.13Å; S57-F61 WeakPolarHBondContact O-CB 3.4Å; S57-F61 PolarHBondContact O-N 3.07Å; H58-F61 WeakPolarHBondContact O-CB 3.38Å; H58-F61 PolarHBondContact O-N 3.34Å; H59-F61 VanDerWaalsContact C-N 3.29Å; H59-F61 PolarHBondContact O-N 2.88Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.9Å; F61-A64 WeakPolarHBondContact O-CB 3.5Å; F61-A64 PolarHBondContact O-N 3.24Å; F61-L65 HydrophobicContact CD1-CD1 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.64Å; F61-L65 HydrophobicContact CE1-CG 4.33Å; F61-L65 HydrophobicContact CE2-CD1 4.26Å; F61-L65 HydrophobicContact CE2-CD2 4.22Å; F61-L65 HydrophobicContact CE2-CG 4.19Å; F61-L65 HydrophobicContact CZ-CD1 3.61Å; F61-L65 HydrophobicContact CZ-CD2 4.23Å; F61-L65 HydrophobicContact CZ-CG 4.05Å; F61-L65 WeakPolarHBondContact O-CG 3.11Å; F61-L65 PolarHBondContact O-N 3.38Å; F61-L114 HydrophobicContact CE1-CD2 4.43Å
62Y97.8Very high96.5Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-61.9-41.7176.7-61.2-43.9000111.9P13 I18 H58 H59 A64 L65 V66 L110 L114P13-Y62 HydrophobicContact CB-CE1 4.25Å; P13-Y62 WeakPolarHBondContact CB-OH 3.47Å; P13-Y62 HydrophobicContact CG-CE1 4.24Å; I18-Y62 HydrophobicContact CB-CE2 4.41Å; I18-Y62 HydrophobicContact CD1-CD2 4.47Å; I18-Y62 HydrophobicContact CD1-CE1 4.37Å; I18-Y62 HydrophobicContact CD1-CE2 4.13Å; I18-Y62 HydrophobicContact CG1-CD2 4.32Å; I18-Y62 HydrophobicContact CG1-CE2 3.73Å; I18-Y62 HydrophobicContact CG2-CD2 4.02Å; I18-Y62 HydrophobicContact CG2-CE2 4.2Å; H58-Y62 HydrophobicContact CB-CE2 4.01Å; H58-Y62 WeakPolarHBondContact O-CD2 3.36Å; H58-Y62 VanDerWaalsContact O-CG 3.28Å; H58-Y62 PolarHBondContact O-N 2.91Å; H59-Y62 PolarHBondContact O-N 3.49Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.96Å; Y62-L65 HydrophobicContact CD1-CD1 4.38Å; Y62-L65 WeakPolarHBondContact O-CB 3.4Å; Y62-L65 PolarHBondContact O-N 3.5Å; Y62-V66 PolarHBondContact O-N 3.06Å; Y62-L110 HydrophobicContact CD1-CD1 4.07Å; Y62-L110 HydrophobicContact CG-CD1 4.31Å; Y62-L110 HydrophobicContact CG-CD2 4.29Å; Y62-L114 HydrophobicContact CD1-CD1 4.15Å; Y62-L114 HydrophobicContact CE1-CD1 4.04Å; Y62-L114 HydrophobicContact CE1-CD2 4.3Å
63A97.4Very high96.5Very high0 Ų035.8 Ų35.80%018%0.182CC..Hα-helixtrans-62.8-42174.800000111.4F23 L26 V27 W30 H59 I60 F61 L65 V66 L67F23-A63 HydrophobicContact CD2-CB 4.45Å; F23-A63 HydrophobicContact CE2-CB 4.42Å; L26-A63 HydrophobicContact CB-CB 3.93Å; V27-A63 HydrophobicContact CG2-CB 3.63Å; W30-A63 HydrophobicContact CE3-CB 3.97Å; W30-A63 HydrophobicContact CZ3-CB 3.71Å; H59-A63 WeakPolarHBondContact O-CB 3.24Å; H59-A63 PolarHBondContact O-N 2.97Å; I60-A63 PolarHBondContact O-N 3.34Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.9Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.2Å; A63-V66 PolarHBondContact O-N 3.45Å; A63-L67 VanDerWaalsContact O-CB 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.45Å; A63-L67 PolarHBondContact O-N 3.49Å
64A97.3Very high96.5Very high0 Ų034 Ų340%017%0.173CC..Hα-helixtrans-59-39.3174.600000112.4V8 W30 I60 F61 Y62 L67 N68 K69 L72V8-A64 HydrophobicContact CG2-CB 4.27Å; W30-A64 HydrophobicContact CH2-CB 3.82Å; W30-A64 HydrophobicContact CZ3-CB 4.37Å; I60-A64 VanDerWaalsContact O-CB 3.29Å; I60-A64 WeakPolarHBondContact O-CB 3.45Å; I60-A64 PolarHBondContact O-N 3.24Å; F61-A64 WeakPolarHBondContact O-CB 3.5Å; F61-A64 PolarHBondContact O-N 3.24Å; Y62-A64 VanDerWaalsContact C-N 3.34Å; Y62-A64 PolarHBondContact O-N 2.96Å; A64-L67 CarbonylContact O-C 3.59Å; A64-L67 PolarHBondContact O-N 3.47Å; A64-N68 PolarHBondContact O-N 2.77Å; A64-N68 VanDerWaalsContact O-N 3.15Å; A64-K69 HydrophobicContact CB-CB 3.97Å; A64-K69 HydrophobicContact CB-CG 4.17Å; A64-K69 PolarHBondContact O-N 3.17Å; A64-L72 HydrophobicContact CB-CD1 3.88Å; A64-L72 HydrophobicContact CB-CD2 4.25Å; A64-L72 HydrophobicContact CB-CG 4.39Å
65L96.5Very high96.6Very high13 Ų1333.3 Ų33.37%0.06816%0.163CC..Hα-helixtrans-60.7-51.1175-70.6176.8000112.1V8 F61 Y62 A63 L67 N68 L110 L114V8-L65 HydrophobicContact CG1-CD2 3.45Å; V8-L65 VanDerWaalsContact CG1-CD2 3.45Å; V8-L65 HydrophobicContact CG1-CG 4.02Å; F61-L65 HydrophobicContact CD1-CD1 4.32Å; F61-L65 HydrophobicContact CE1-CD1 3.64Å; F61-L65 HydrophobicContact CE1-CG 4.33Å; F61-L65 HydrophobicContact CE2-CD1 4.26Å; F61-L65 HydrophobicContact CE2-CD2 4.22Å; F61-L65 HydrophobicContact CE2-CG 4.19Å; F61-L65 HydrophobicContact CZ-CD1 3.61Å; F61-L65 HydrophobicContact CZ-CD2 4.23Å; F61-L65 HydrophobicContact CZ-CG 4.05Å; F61-L65 WeakPolarHBondContact O-CG 3.11Å; F61-L65 PolarHBondContact O-N 3.38Å; Y62-L65 HydrophobicContact CD1-CD1 4.38Å; Y62-L65 WeakPolarHBondContact O-CB 3.4Å; Y62-L65 PolarHBondContact O-N 3.5Å; A63-L65 VanDerWaalsContact C-N 3.31Å; A63-L65 PolarHBondContact O-N 3.2Å; L65-L67 VanDerWaalsContact C-N 3.31Å; L65-L67 PolarHBondContact O-N 3.27Å; L65-N68 PolarHBondContact O-N 3.28Å; L65-N68 VanDerWaalsContact O-N 3.14Å; L65-L110 HydrophobicContact CB-CD1 4.27Å; L65-L110 HydrophobicContact CD1-CD1 4.04Å; L65-L114 HydrophobicContact CD1-CD2 3.71Å; L65-L114 HydrophobicContact CD1-CG 4.17Å
66V96.5Very high96.6Very high8 Ų831.1 Ų31.15%0.04816%0.155CC..Hα-helixtrans-66.6-36.1-179.2167.90000111.6F23 V27 Y62 A63 N68 I106 Q109 L110F23-V66 HydrophobicContact CE2-CG2 4.29Å; F23-V66 HydrophobicContact CZ-CB 4.49Å; F23-V66 HydrophobicContact CZ-CG2 3.79Å; V27-V66 HydrophobicContact CG1-CG1 4.32Å; Y62-V66 PolarHBondContact O-N 3.06Å; A63-V66 PolarHBondContact O-N 3.45Å; V66-N68 PolarHBondContact O-N 3.19Å; V66-I106 HydrophobicContact CG1-CG2 4.14Å; V66-Q109 HydrophobicContact CG1-CG 4.48Å; V66-Q109 HydrophobicContact CG2-CB 4.48Å; V66-Q109 HydrophobicContact CG2-CG 4.43Å; V66-Q109 PolarHBondContact O-NE2 2.89Å; V66-L110 HydrophobicContact CG2-CB 3.72Å; V66-L110 HydrophobicContact CG2-CD1 4.08Å; V66-L110 HydrophobicContact CG2-CG 4.47Å
67L96Very high96.6Very high58 Ų5826.4 Ų26.430%0.30414%0.139SC..THydrogen-bonded Turntrans-81.28.9176.8-62.8172.5000113.2V27 W30 A63 A64 L65 K69V27-L67 HydrophobicContact CG1-CD2 4.24Å; W30-L67 HydrophobicContact CB-CD1 3.63Å; W30-L67 HydrophobicContact CD2-CD1 3.47Å; W30-L67 VanDerWaalsContact CD2-CD1 3.47Å; W30-L67 HydrophobicContact CE3-CD1 3.47Å; W30-L67 VanDerWaalsContact CE3-CD1 3.47Å; W30-L67 HydrophobicContact CG-CD1 3.55Å; W30-L67 HydrophobicContact CZ3-CD1 4.32Å; A63-L67 VanDerWaalsContact O-CB 3.31Å; A63-L67 WeakPolarHBondContact O-CB 3.31Å; A63-L67 VanDerWaalsContact O-CG 3.24Å; A63-L67 WeakPolarHBondContact O-CG 3.45Å; A63-L67 PolarHBondContact O-N 3.49Å; A64-L67 CarbonylContact O-C 3.59Å; A64-L67 PolarHBondContact O-N 3.47Å; L65-L67 VanDerWaalsContact C-N 3.31Å; L65-L67 PolarHBondContact O-N 3.27Å; L67-K69 VanDerWaalsContact C-N 3.25Å; L67-K69 HydrophobicContact CB-CG 4.12Å; L67-K69 PolarHBondContact O-N 3.29Å
68N95.1Very high96.3Very high126 Ų12635.8 Ų35.867%0.67418%0.179SC*.THydrogen-bonded Turntrans51.839.1179.2-60.7-59.3000113.7A64 L65 V66A64-N68 PolarHBondContact O-N 2.77Å; A64-N68 VanDerWaalsContact O-N 3.15Å; L65-N68 PolarHBondContact O-N 3.28Å; L65-N68 VanDerWaalsContact O-N 3.14Å; V66-N68 PolarHBondContact O-N 3.19Å
69K95.9Very high96.1Very high61 Ų6143.1 Ų43.127%0.26521%0.213SC..  trans-76.6128.4175.8-55.6-63.1179.1162.40109.6V8 W30 E35 A64 L67V8-K69 VanDerWaalsContact CG2-O 3.27Å; V8-K69 WeakPolarHBondContact CG2-O 3.43Å; W30-K69 HydrophobicContact CZ2-CG 4.06Å; E35-K69 WeakPolarHBondContact OE1-CE 3.46Å; E35-K69 IonicContact OE1-NZ 2.74Å; E35-K69 PolarHBondContact OE1-NZ 2.75Å; A64-K69 HydrophobicContact CB-CB 3.97Å; A64-K69 HydrophobicContact CB-CG 4.17Å; A64-K69 PolarHBondContact O-N 3.17Å; L67-K69 VanDerWaalsContact C-N 3.25Å; L67-K69 HydrophobicContact CB-CG 4.12Å; L67-K69 PolarHBondContact O-N 3.29Å
70E94.3Very high95.8Very high166 Ų16646.3 Ų46.378%0.77624%0.239SC*.  trans-78.1-38.2-177.6-63.5-175.8167.300112.5G7 V8G7-E70 CarbonylContact C-O 3.58Å; G7-E70 WeakPolarHBondContact CA-O 3.46Å; V8-E70 PolarHBondContact N-O 3.41Å
71T96.2Very high95.7Very high37 Ų3747.5 Ų47.523%0.22725%0.247CC..EExtended strand (participates in β ladder)trans-140149.6-172.866.10000112.3R5 L6R5-T71 PolarHBondContact NE-OG1 3.45Å; R5-T71 PolarHBondContact NH2-OG1 2.95Å; L6-T71 CarbonylContact O-C 3.57Å; L6-T71 WeakPolarHBondContact O-CA 3.32Å; L6-T71 WeakPolarHBondContact O-CB 3.48Å
72L96.8Very high95.4Very high0 Ų052.7 Ų52.70%028%0.278CS..EExtended strand (participates in β ladder)trans-127.9147.8167-58.7171.9000109.6R5 L6 V8 M11 W30 E35 V40 I60 A64R5-L72 WeakPolarHBondContact CA-O 3.39Å; L6-L72 PolarHBondContact N-O 3.04Å; L6-L72 PolarHBondContact O-N 3.43Å; V8-L72 HydrophobicContact CG2-CD1 4.16Å; V8-L72 HydrophobicContact CG2-CG 3.94Å; M11-L72 HydrophobicContact CE-CB 3.87Å; M11-L72 HydrophobicContact CE-CD1 4.17Å; M11-L72 HydrophobicContact CE-CG 4.22Å; M11-L72 HydrophobicContact SD-CD1 4.32Å; W30-L72 HydrophobicContact CH2-CD2 4.17Å; W30-L72 HydrophobicContact CZ2-CD2 4.14Å; E35-L72 HydrophobicContact CB-CD2 4.45Å; E35-L72 HydrophobicContact CG-CD2 4.1Å; V40-L72 HydrophobicContact CG2-CD1 4.1Å; I60-L72 HydrophobicContact CG2-CD1 4.44Å; A64-L72 HydrophobicContact CB-CD1 3.88Å; A64-L72 HydrophobicContact CB-CD2 4.25Å; A64-L72 HydrophobicContact CB-CG 4.39Å
73T96.5Very high95.2Very high19 Ų1953.5 Ų53.512%0.11728%0.283CS..EExtended strand (participates in β ladder)trans-82.1120.3165.5-57.20000108Q3 E35 G38Q3-T73 HydrophobicContact CB-CG2 4.29Å; E35-T73 VanDerWaalsContact O-CB 3.31Å; E35-T73 WeakPolarHBondContact O-CB 3.36Å; E35-T73 PolarHBondContact O-N 3.1Å; E35-T73 PolarHBondContact O-OG1 3.46Å; G38-T73 WeakPolarHBondContact CA-O 3.44Å; G38-T73 PolarHBondContact N-O 2.99Å
74C96.6Very high95Very high0 Ų058.4 Ų58.40%031%0.306CS..EExtended strand (participates in β ladder)trans-117.8147.7-175.6-55.10000111.3Q3 K4 L6 V40 V42Q3-C74 CarbonylContact C-O 3.47Å; Q3-C74 VanDerWaalsContact CA-O 3.27Å; Q3-C74 WeakPolarHBondContact CA-O 3.25Å; K4-C74 PolarHBondContact N-O 3.49Å; K4-C74 PolarHBondContact O-N 3.19Å; L6-C74 HydrophobicContact CD1-CB 4.01Å; V40-C74 CarbonylContact O-C 3.47Å; V40-C74 WeakPolarHBondContact O-CA 3.37Å; V40-C74 VanDerWaalsContact O-CB 3.29Å; V40-C74 WeakPolarHBondContact O-CB 3.3Å; V42-C74 HydrophobicContact CG1-CB 4.23Å; V42-C74 HydrophobicContact CG2-CB 3.9Å
75S96.6Very high94.7Very high18 Ų1858.4 Ų58.413%0.12631%0.306CS..EExtended strand (participates in β ladder)trans-85.7121.9166.3-70.30000110.2G38 V40 V41 V42G38-S75 VanDerWaalsContact O-CB 3.3Å; G38-S75 WeakPolarHBondContact O-CB 3.5Å; G38-S75 PolarHBondContact O-N 3.08Å; G38-S75 PolarHBondContact O-OG 3.19Å; V40-S75 PolarHBondContact O-N 3.39Å; V41-S75 WeakPolarHBondContact CA-O 3.42Å; V42-S75 PolarHBondContact N-O 3.15Å
76V95.6Very high94.4Very high31 Ų3163.3 Ų63.319%0.18833%0.33CS..EExtended strand (participates in β ladder)trans-87.8116.1178.3-171.90000109.6K2 K4 V42 D44K2-V76 PolarHBondContact O-N 3Å; K4-V76 HydrophobicContact CB-CG2 4.01Å; V42-V76 HydrophobicContact CG2-CG2 4.14Å; V42-V76 CarbonylContact O-C 3.53Å; V42-V76 WeakPolarHBondContact O-CA 3.37Å; D44-V76 HydrophobicContact CB-CG1 4.17Å
77S95.3Very high93.9Very high11 Ų1169.5 Ų69.58%0.07736%0.363CS..EExtended strand (participates in β ladder)trans-90.9142.8174.5-175.60000111.2V42 H43 I53 Q79V42-S77 PolarHBondContact O-N 3.27Å; H43-S77 PolarHBondContact ND1-O 2.98Å; I53-S77 VanDerWaalsContact CD1-CB 3.47Å; S77-Q79 VanDerWaalsContact C-N 3.3Å; S77-Q79 PolarHBondContact OG-N 3.15Å; S77-Q79 VanDerWaalsContact OG-N 3.16Å
78K92Very high93.5Very high204 Ų20469.7 Ų69.789%0.88736%0.364SS*.SBendtrans-78.7-16.9171.5-67.8-175.4177.9-1750112.8
79Q92.5Very high93.2Very high153 Ų15366.3 Ų66.372%0.71536%0.359SS*.SBendtrans-87.9124.7-179.4-66.8175.8-7.400108.9I53 S77I53-Q79 VanDerWaalsContact CD1-O 3.25Å; I53-Q79 WeakPolarHBondContact CD1-O 3.42Å; S77-Q79 VanDerWaalsContact C-N 3.3Å; S77-Q79 PolarHBondContact OG-N 3.15Å; S77-Q79 VanDerWaalsContact OG-N 3.16Å
80A92.5Very high93Very high67 Ų6766.5 Ų66.555%0.55436%0.363SS*.PPolyproline II helixtrans-70.7137.4173.400000110.1
81P94Very high93Very high25 Ų2560.2 Ų60.216%0.16234%0.335CS..PPolyproline II helixtrans-71.9162.8169.631.9-34.7000110.9T14 Q51 I53 D83T14-P81 HydrophobicContact CG2-CB 4.41Å; T14-P81 HydrophobicContact CG2-CG 3.81Å; Q51-P81 HydrophobicContact CB-CG 3.8Å; I53-P81 HydrophobicContact CG1-CB 4.13Å; I53-P81 HydrophobicContact CG1-CG 4.05Å; P81-D83 PolarHBondContact O-N 3.46Å
82V92.7Very high93Very high109 Ų10958.5 Ų58.566%0.66132%0.324SS*.PPolyproline II helixtrans-74.6123162.7-177.70000107.7E84V82-E84 HydrophobicContact CG1-CG 3.96Å; V82-E84 PolarHBondContact O-N 3.08Å
83D92.4Very high92.8Very high18 Ų1860.8 Ų60.810%0.09634%0.335CS..  trans-92.573.6-177.7-160.9-19.6000111.3R12 Q51 P81 L85 M86 N87R12-D83 IonicContact CZ-OD2 3.08Å; R12-D83 IonicContact NH1-OD1 3.59Å; R12-D83 IonicContact NH1-OD2 2.65Å; R12-D83 PolarHBondContact NH1-OD2 3.26Å; R12-D83 IonicContact NH2-OD2 2.71Å; R12-D83 PolarHBondContact NH2-OD2 2.91Å; Q51-D83 PolarHBondContact NE2-OD2 2.83Å; P81-D83 PolarHBondContact O-N 3.46Å; D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 2.82Å; D83-M86 HydrophobicContact CB-CB 4.27Å; D83-M86 VanDerWaalsContact CG-CB 3.48Å; D83-M86 WeakPolarHBondContact OD1-CB 3.14Å; D83-M86 PolarHBondContact OD1-N 3.08Å; D83-N87 PolarHBondContact O-N 3.13Å; D83-N87 PolarHBondContact O-ND2 3.36Å
84E93.3Very high92.7Very high102 Ų10261.4 Ų61.448%0.47734%0.336SS..Hα-helixtrans-64.2-33.1179.9-67.1-179.2-162.400112T14 P16 V82 N87 N88T14-E84 PolarHBondContact O-N 3.38Å; T14-E84 VanDerWaalsContact O-N 3.07Å; P16-E84 HydrophobicContact CG-CB 4.24Å; V82-E84 HydrophobicContact CG1-CG 3.96Å; V82-E84 PolarHBondContact O-N 3.08Å; E84-N87 PolarHBondContact O-N 3.01Å; E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 PolarHBondContact O-N 3.2Å
85L92.3Very high92.6Very high0 Ų063 Ų630%035%0.347CS..Hα-helixtrans-69.1-40.7-179-176.259.2000112.7P13 T14 P16 D83 N87 N88 G89 N90 L91 L92 Y119P13-L85 HydrophobicContact CB-CD2 3.92Å; P13-L85 HydrophobicContact CG-CD2 3.57Å; T14-L85 WeakPolarHBondContact O-CB 3.43Å; T14-L85 PolarHBondContact O-N 3.3Å; P16-L85 HydrophobicContact CB-CD1 4.28Å; D83-L85 VanDerWaalsContact C-N 3.26Å; D83-L85 PolarHBondContact O-N 2.82Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.72Å; L85-N88 CarbonylContact O-C 3.52Å; L85-N88 PolarHBondContact O-N 3.38Å; L85-N88 VanDerWaalsContact O-N 3.15Å; L85-G89 PolarHBondContact O-N 3.22Å; L85-N90 PolarHBondContact O-N 3.4Å; L85-L91 VanDerWaalsContact CD1-O 3.3Å; L85-L91 WeakPolarHBondContact CD1-O 3.14Å; L85-L92 HydrophobicContact CD1-CD2 3.66Å; L85-L92 HydrophobicContact CD1-CG 4.07Å; L85-L92 HydrophobicContact CD2-CD2 3.87Å; L85-L92 HydrophobicContact CG-CD2 4.44Å; L85-Y119 HydrophobicContact CD2-CD1 3.93Å; L85-Y119 HydrophobicContact CD2-CE1 3.57Å; L85-Y119 HydrophobicContact CG-CE1 4.46Å
86M88.5Confident92.3Very high117 Ų11772.1 Ų72.158%0.57638%0.379SS*.Hα-helixtrans-61-40.9172.8179.6173.6-96.800110.8D83 N88 G89D83-M86 HydrophobicContact CB-CB 4.27Å; D83-M86 VanDerWaalsContact CG-CB 3.48Å; D83-M86 WeakPolarHBondContact OD1-CB 3.14Å; D83-M86 PolarHBondContact OD1-N 3.08Å; M86-N88 VanDerWaalsContact C-N 3.26Å; M86-N88 PolarHBondContact O-N 2.77Å; M86-G89 PolarHBondContact O-N 2.6Å
87N86.5Confident91.9Very high137 Ų13775.2 Ų75.273%0.73339%0.394SS*.Hα-helixtrans-67-27.2176.2-66.5-34000112.9D83 E84 L85 G89D83-N87 PolarHBondContact O-N 3.13Å; D83-N87 PolarHBondContact O-ND2 3.36Å; E84-N87 PolarHBondContact O-N 3.01Å; L85-N87 VanDerWaalsContact C-N 3.28Å; L85-N87 PolarHBondContact O-N 2.72Å; N87-G89 VanDerWaalsContact C-N 3.31Å
88N87.5Confident91.3Very high62 Ų6279.2 Ų79.233%0.33242%0.418SS..THydrogen-bonded Turntrans-89.413.1175.8-157.433.7000113.3E84 L85 M86 N90 L91 H93E84-N88 WeakPolarHBondContact O-CB 3.35Å; E84-N88 PolarHBondContact O-N 3.2Å; L85-N88 CarbonylContact O-C 3.52Å; L85-N88 PolarHBondContact O-N 3.38Å; L85-N88 VanDerWaalsContact O-N 3.15Å; M86-N88 VanDerWaalsContact C-N 3.26Å; M86-N88 PolarHBondContact O-N 2.77Å; N88-N90 PolarHBondContact O-N 2.97Å; N88-L91 PolarHBondContact ND2-O 2.8Å; N88-L91 WeakPolarHBondContact O-CB 3.42Å; N88-L91 PolarHBondContact O-N 2.84Å; N88-H93 PolarHBondContact ND2-NE2 2.89Å; N88-H93 VanDerWaalsContact ND2-NE2 3.1Å
89G89.6Confident90.8Very high56 Ų5670.8 Ų70.858%0.57739%0.388SS*.THydrogen-bonded Turntrans65.334.2176.900000114.4L85 M86 N87 L91L85-G89 PolarHBondContact O-N 3.22Å; M86-G89 PolarHBondContact O-N 2.6Å; N87-G89 VanDerWaalsContact C-N 3.31Å; G89-L91 PolarHBondContact O-N 2.98Å
90N91.5Very high90.7Very high64 Ų6465 Ų6534%0.34237%0.371SS..THydrogen-bonded Turntrans60.926.2-175.9-57.8-31.9000114.1L85 N88 Y119 T120L85-N90 PolarHBondContact O-N 3.4Å; N88-N90 PolarHBondContact O-N 2.97Å; N90-Y119 HydrophobicContact CB-CD1 3.93Å; N90-Y119 HydrophobicContact CB-CE1 4.39Å; N90-T120 PolarHBondContact O-N 2.68Å; N90-T120 PolarHBondContact O-OG1 3.16Å
91L94.2Very high90.7Very high35 Ų3571.2 Ų71.218%0.18339%0.385CS..EExtended strand (participates in β ladder)trans-88.7120.8176.1-173.264.8000110.6L85 N88 G89 T120 L122L85-L91 VanDerWaalsContact CD1-O 3.3Å; L85-L91 WeakPolarHBondContact CD1-O 3.14Å; N88-L91 PolarHBondContact ND2-O 2.8Å; N88-L91 WeakPolarHBondContact O-CB 3.42Å; N88-L91 PolarHBondContact O-N 2.84Å; G89-L91 PolarHBondContact O-N 2.98Å; L91-T120 WeakPolarHBondContact CD1-OG1 3.32Å; L91-L122 HydrophobicContact CD1-CD2 3.92Å; L91-L122 HydrophobicContact CD1-CG 3.86Å; L91-L122 HydrophobicContact CD2-CD1 4Å; L91-L122 HydrophobicContact CD2-CD2 4Å; L91-L122 HydrophobicContact CD2-CG 3.76Å; L91-L122 HydrophobicContact CG-CD2 4.43Å; L91-L122 HydrophobicContact CG-CG 4.02Å
92L95.6Very high90.6Very high0 Ų075.3 Ų75.30%041%0.405CS..EExtended strand (participates in β ladder)trans-104.2145.5179.1-67.9169.5000111P16 I18 L85 L114 Y119 T120 F121 L122P16-L92 CarbonylContact O-C 3.4Å; P16-L92 WeakPolarHBondContact O-CA 3.37Å; I18-L92 HydrophobicContact CD1-CB 4.46Å; I18-L92 HydrophobicContact CD1-CD1 4.31Å; L85-L92 HydrophobicContact CD1-CD2 3.66Å; L85-L92 HydrophobicContact CD1-CG 4.07Å; L85-L92 HydrophobicContact CD2-CD2 3.87Å; L85-L92 HydrophobicContact CG-CD2 4.44Å; L92-L114 HydrophobicContact CD1-CD1 3.76Å; L92-Y119 HydrophobicContact CD1-CD1 4.06Å; L92-Y119 HydrophobicContact CD1-CG 3.85Å; L92-Y119 HydrophobicContact CG-CD1 4.44Å; L92-T120 PolarHBondContact N-O 2.76Å; L92-F121 HydrophobicContact CB-CD1 3.71Å; L92-F121 HydrophobicContact CB-CE1 3.66Å; L92-F121 HydrophobicContact CD1-CE1 3.76Å; L92-F121 HydrophobicContact CD1-CZ 3.94Å; L92-F121 HydrophobicContact CG-CE1 4.37Å; L92-F121 WeakPolarHBondContact O-CA 3.13Å; L92-L122 PolarHBondContact O-N 3.33Å
93H94Very high90.6Very high49 Ų4970.7 Ų70.723%0.22738%0.376CS..EExtended strand (participates in β ladder)trans-125.6133.2177.4-51.7-69.2000109.8P16 I17 I18 N88 L122P16-H93 PolarHBondContact O-N 2.89Å; I17-H93 WeakPolarHBondContact CA-O 3.14Å; I18-H93 PolarHBondContact N-O 3.47Å; N88-H93 PolarHBondContact ND2-NE2 2.89Å; N88-H93 VanDerWaalsContact ND2-NE2 3.1Å; H93-L122 WeakPolarHBondContact CE1-CD1 3.17Å; H93-L122 VanDerWaalsContact CE1-CG 3.41Å; H93-L122 WeakPolarHBondContact CE1-CG 3.27Å
94F94.3Very high90.7Very high32 Ų3276 Ų7614%0.1440%0.398CS..EExtended strand (participates in β ladder)trans-80.7138.6167.8-66.9-80000109.3I18 V20 L97 I107 L110 K111 F121I18-F94 HydrophobicContact CB-CD1 4Å; I18-F94 HydrophobicContact CB-CE1 4.22Å; I18-F94 HydrophobicContact CD1-CD1 4.36Å; I18-F94 HydrophobicContact CD1-CE1 3.81Å; I18-F94 HydrophobicContact CD1-CZ 4.09Å; I18-F94 HydrophobicContact CG2-CD1 4.09Å; I18-F94 HydrophobicContact CG2-CE1 4.1Å; V20-F94 HydrophobicContact CG2-CB 3.84Å; V20-F94 HydrophobicContact CG2-CD1 3.91Å; V20-F94 HydrophobicContact CG2-CG 4.34Å; F94-L97 HydrophobicContact CB-CD2 4.02Å; F94-L97 HydrophobicContact CB-CG 4.48Å; F94-L97 HydrophobicContact CG-CD2 4.44Å; F94-I107 HydrophobicContact CD1-CD1 4.46Å; F94-I107 HydrophobicContact CD1-CG2 4.4Å; F94-I107 HydrophobicContact CE1-CG1 4.44Å; F94-I107 HydrophobicContact CE1-CG2 3.98Å; F94-I107 HydrophobicContact CE2-CG2 4.17Å; F94-I107 HydrophobicContact CZ-CG2 3.85Å; F94-L110 HydrophobicContact CE1-CD2 4.07Å; F94-L110 HydrophobicContact CZ-CD2 4.46Å; F94-K111 HydrophobicContact CE2-CD 4.17Å; F94-K111 HydrophobicContact CE2-CG 3.88Å; F94-K111 HydrophobicContact CZ-CG 3.88Å; F94-F121 HydrophobicContact CD2-CD1 4.2Å; F94-F121 AromaticContact CE2-CD1 3.32Å; F94-F121 HydrophobicContact CE2-CD1 3.32Å; F94-F121 AromaticContact CE2-CE1 3.56Å; F94-F121 HydrophobicContact CE2-CE1 3.56Å; F94-F121 HydrophobicContact CE2-CG 4.21Å; F94-F121 AromaticContact CZ-CD1 3.91Å; F94-F121 HydrophobicContact CZ-CD1 3.91Å; F94-F121 AromaticContact CZ-CE1 3.62Å; F94-F121 HydrophobicContact CZ-CE1 3.62Å; F94-F121 HydrophobicContact CZ-CZ 4.5Å
95S93.4Very high90.8Very high34 Ų3473.9 Ų73.924%0.23840%0.399CS..  trans-63.2-174.2161.981.70000109.7I18 D19 V20 L97I18-S95 PolarHBondContact O-N 2.74Å; D19-S95 WeakPolarHBondContact CA-OG 3.34Å; D19-S95 PolarHBondContact OD1-OG 2.91Å; V20-S95 PolarHBondContact N-OG 3.49Å; S95-L97 PolarHBondContact O-N 2.88Å; S95-L97 VanDerWaalsContact O-N 3.08Å
96R89.9Confident91Very high208 Ų20874.7 Ų74.779%0.78540%0.403SS*.  trans-51.7119.3-173.5-178.6-178.1176.2177-1.3111.9
97L87.9Confident91.3Very high96 Ų9669.8 Ų69.850%0.50338%0.379SS..  trans-80.7126.2171.9-59.2173000109.8V20 F94 S95 G99 I107V20-L97 HydrophobicContact CG1-CD2 4.42Å; V20-L97 HydrophobicContact CG2-CD2 3.85Å; F94-L97 HydrophobicContact CB-CD2 4.02Å; F94-L97 HydrophobicContact CB-CG 4.48Å; F94-L97 HydrophobicContact CG-CD2 4.44Å; S95-L97 PolarHBondContact O-N 2.88Å; S95-L97 VanDerWaalsContact O-N 3.08Å; L97-G99 VanDerWaalsContact C-N 3.33Å; L97-I107 HydrophobicContact CD2-CD1 3.18Å
98T81.7Confident91.7Very high96 Ų9671.6 Ų71.659%0.58938%0.375SS*.  trans-78.7-23.8172.972.20000111.5E103T98-E103 WeakPolarHBondContact CB-OE2 3.4Å; T98-E103 PolarHBondContact N-OE1 2.87Å; T98-E103 PolarHBondContact N-OE2 3.06Å; T98-E103 VanDerWaalsContact OG1-CD 3.3Å; T98-E103 PolarHBondContact OG1-OE1 2.94Å; T98-E103 PolarHBondContact OG1-OE2 2.95Å
99G82.2Confident92.2Very high26 Ų2672.3 Ų72.327%0.26838%0.377SS..  trans83.111.8175.500000114.6L97 E103 K104L97-G99 VanDerWaalsContact C-N 3.33Å; G99-E103 PolarHBondContact N-OE1 2.86Å; G99-K104 WeakPolarHBondContact O-CD 3.34Å; G99-K104 WeakPolarHBondContact O-CE 3.3Å; G99-K104 PolarHBondContact O-NZ 3.16Å
100G90.5Very high92.5Very high33 Ų3369.7 Ų69.734%0.3435%0.349SS..  trans-58.5148.2173.900000112.6L102 E103 K104G100-L102 VanDerWaalsContact C-N 3.3Å; G100-L102 PolarHBondContact O-N 3.24Å; G100-E103 PolarHBondContact O-N 2.71Å; G100-K104 WeakPolarHBondContact O-CG 3.21Å; G100-K104 PolarHBondContact O-N 2.84Å
101K91.9Very high92.7Very high196 Ų19669.6 Ų69.685%0.85235%0.346SS*.Hα-helixtrans-59.3-41.1-177.6-173.8179.4178.2-177.50112.3A105K101-A105 PolarHBondContact O-N 2.86Å
102L92Very high92.8Very high112 Ų11271.4 Ų71.459%0.58636%0.356SS*.Hα-helixtrans-66.9-48.3177.7179.761.9000111.6M24 G100 K104 A105 I106M24-L102 HydrophobicContact CE-CG 4.44Å; G100-L102 VanDerWaalsContact C-N 3.3Å; G100-L102 PolarHBondContact O-N 3.24Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.15Å; L102-A105 PolarHBondContact O-N 3.14Å; L102-A105 VanDerWaalsContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 3.83Å; L102-I106 HydrophobicContact CD1-CG1 4.33Å; L102-I106 HydrophobicContact CG-CD1 3.88Å; L102-I106 PolarHBondContact O-N 2.65Å
103E94.1Very high92.8Very high11 Ų1172.6 Ų72.65%0.05137%0.366CS..Hα-helixtrans-54.2-50176-179.3-168.792.600111V20 M24 T98 G99 G100 A105 I106 I107V20-E103 HydrophobicContact CG1-CG 4Å; M24-E103 HydrophobicContact CE-CB 4Å; M24-E103 HydrophobicContact CE-CG 4.48Å; M24-E103 HydrophobicContact CG-CG 4.33Å; M24-E103 HydrophobicContact SD-CB 4.27Å; M24-E103 HydrophobicContact SD-CG 4.17Å; T98-E103 WeakPolarHBondContact CB-OE2 3.4Å; T98-E103 PolarHBondContact N-OE1 2.87Å; T98-E103 PolarHBondContact N-OE2 3.06Å; T98-E103 VanDerWaalsContact OG1-CD 3.3Å; T98-E103 PolarHBondContact OG1-OE1 2.94Å; T98-E103 PolarHBondContact OG1-OE2 2.95Å; G99-E103 PolarHBondContact N-OE1 2.86Å; G100-E103 PolarHBondContact O-N 2.71Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.79Å; E103-I106 PolarHBondContact O-N 2.93Å; E103-I107 HydrophobicContact CG-CD1 3.61Å; E103-I107 HydrophobicContact CG-CG1 4.26Å; E103-I107 WeakPolarHBondContact O-CB 3.29Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.5Å; E103-I107 PolarHBondContact O-N 2.82Å
104K94.1Very high92.9Very high129 Ų12970.3 Ų70.356%0.56136%0.355SS*.Hα-helixtrans-57.8-39.6177.9-76.3172.5170.7154.30113G99 G100 L102 R108G99-K104 WeakPolarHBondContact O-CD 3.34Å; G99-K104 WeakPolarHBondContact O-CE 3.3Å; G99-K104 PolarHBondContact O-NZ 3.16Å; G100-K104 WeakPolarHBondContact O-CG 3.21Å; G100-K104 PolarHBondContact O-N 2.84Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.15Å; K104-R108 WeakPolarHBondContact O-CB 3.12Å; K104-R108 PolarHBondContact O-N 3.42Å; K104-R108 VanDerWaalsContact O-N 3.07Å
105A95.2Very high92.9Very high59 Ų5973.9 Ų73.949%0.48837%0.372SS..Hα-helixtrans-68.6-44.9178.500000111.8K101 L102 E103 R108 Q109K101-A105 PolarHBondContact O-N 2.86Å; L102-A105 PolarHBondContact O-N 3.14Å; L102-A105 VanDerWaalsContact O-N 3.13Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.79Å; A105-R108 PolarHBondContact O-N 2.93Å; A105-Q109 PolarHBondContact O-N 2.68Å
106I96Very high92.9Very high17 Ų1780.9 Ų80.99%0.08740%0.398CS..Hα-helixtrans-66-44.4178.8-75.1169.2000111.2F23 M24 V27 V66 L102 E103 R108 Q109 L110F23-I106 HydrophobicContact CE1-CG2 3.52Å; F23-I106 HydrophobicContact CZ-CG2 3.59Å; M24-I106 HydrophobicContact CE-CD1 3.81Å; M24-I106 HydrophobicContact SD-CB 4.09Å; M24-I106 HydrophobicContact SD-CD1 4.06Å; M24-I106 HydrophobicContact SD-CG2 3.8Å; V27-I106 HydrophobicContact CG1-CD1 3.92Å; V27-I106 HydrophobicContact CG1-CG2 4.44Å; V27-I106 HydrophobicContact CG2-CG2 4.5Å; V66-I106 HydrophobicContact CG1-CG2 4.14Å; L102-I106 HydrophobicContact CD1-CD1 3.83Å; L102-I106 HydrophobicContact CD1-CG1 4.33Å; L102-I106 HydrophobicContact CG-CD1 3.88Å; L102-I106 PolarHBondContact O-N 2.65Å; E103-I106 PolarHBondContact O-N 2.93Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.86Å; I106-Q109 WeakPolarHBondContact O-CB 3.14Å; I106-Q109 PolarHBondContact O-N 3.06Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-L110 PolarHBondContact O-N 2.84Å
107I95.6Very high93Very high13 Ų1375.1 Ų75.17%0.06738%0.376CS..Hα-helixtrans-61.8-40.8176.7-72179.7000110.9V20 F23 F94 L97 E103 Q109 L110 K111V20-I107 HydrophobicContact CG1-CD1 3.95Å; V20-I107 HydrophobicContact CG2-CD1 4.28Å; F23-I107 HydrophobicContact CE1-CG1 4.47Å; F94-I107 HydrophobicContact CD1-CD1 4.46Å; F94-I107 HydrophobicContact CD1-CG2 4.4Å; F94-I107 HydrophobicContact CE1-CG1 4.44Å; F94-I107 HydrophobicContact CE1-CG2 3.98Å; F94-I107 HydrophobicContact CE2-CG2 4.17Å; F94-I107 HydrophobicContact CZ-CG2 3.85Å; L97-I107 HydrophobicContact CD2-CD1 3.18Å; E103-I107 HydrophobicContact CG-CD1 3.61Å; E103-I107 HydrophobicContact CG-CG1 4.26Å; E103-I107 WeakPolarHBondContact O-CB 3.29Å; E103-I107 VanDerWaalsContact O-CG1 3.31Å; E103-I107 WeakPolarHBondContact O-CG1 3.5Å; E103-I107 PolarHBondContact O-N 2.82Å; I107-Q109 VanDerWaalsContact C-N 3.33Å; I107-Q109 PolarHBondContact O-N 3.37Å; I107-L110 PolarHBondContact O-N 2.91Å; I107-K111 HydrophobicContact CG2-CD 4.38Å; I107-K111 HydrophobicContact CG2-CG 4.41Å; I107-K111 WeakPolarHBondContact O-CB 3.31Å; I107-K111 WeakPolarHBondContact O-CG 3.25Å; I107-K111 PolarHBondContact O-N 2.86Å
108R95.3Very high93.2Very high175 Ų17572.8 Ų72.866%0.6638%0.376SS*.Hα-helixtrans-60-45174.5-174.9176.1-173.1156.64.2111.5K104 A105 I106 L110 K111 D112K104-R108 WeakPolarHBondContact O-CB 3.12Å; K104-R108 PolarHBondContact O-N 3.42Å; K104-R108 VanDerWaalsContact O-N 3.07Å; A105-R108 PolarHBondContact O-N 2.93Å; I106-R108 VanDerWaalsContact C-N 3.3Å; I106-R108 PolarHBondContact O-N 2.86Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.02Å; R108-K111 PolarHBondContact O-N 3.01Å; R108-D112 VanDerWaalsContact O-CG 3.24Å; R108-D112 PolarHBondContact O-N 2.76Å
109Q96Very high93.8Very high78 Ų7869 Ų6936%0.36435%0.351SS..Hα-helixtrans-61.7-40.7176.8-172.4179.9-8.800112.2V66 A105 I106 I107 A113V66-Q109 HydrophobicContact CG1-CG 4.48Å; V66-Q109 HydrophobicContact CG2-CB 4.48Å; V66-Q109 HydrophobicContact CG2-CG 4.43Å; V66-Q109 PolarHBondContact O-NE2 2.89Å; A105-Q109 PolarHBondContact O-N 2.68Å; I106-Q109 WeakPolarHBondContact O-CB 3.14Å; I106-Q109 PolarHBondContact O-N 3.06Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I107-Q109 VanDerWaalsContact C-N 3.33Å; I107-Q109 PolarHBondContact O-N 3.37Å; Q109-A113 WeakPolarHBondContact O-CB 3.21Å; Q109-A113 PolarHBondContact O-N 2.77Å; Q109-A113 VanDerWaalsContact O-N 3.08Å
110L96.9Very high94.4Very high0 Ų071.2 Ų71.20%036%0.359CS..Hα-helixtrans-64.8-45.5175.8-177.164.8000111.6I18 F23 Y62 L65 V66 F94 I106 I107 R108 D112 A113 L114I18-L110 HydrophobicContact CD1-CD2 4.07Å; I18-L110 HydrophobicContact CG2-CD2 4.42Å; F23-L110 HydrophobicContact CD1-CD2 4.38Å; F23-L110 HydrophobicContact CE1-CB 4.43Å; F23-L110 HydrophobicContact CE1-CD2 3.81Å; F23-L110 HydrophobicContact CE2-CD2 4.08Å; F23-L110 HydrophobicContact CZ-CB 4.06Å; F23-L110 HydrophobicContact CZ-CD1 4.49Å; F23-L110 HydrophobicContact CZ-CD2 3.67Å; F23-L110 HydrophobicContact CZ-CG 4.27Å; Y62-L110 HydrophobicContact CD1-CD1 4.07Å; Y62-L110 HydrophobicContact CG-CD1 4.31Å; Y62-L110 HydrophobicContact CG-CD2 4.29Å; L65-L110 HydrophobicContact CB-CD1 4.27Å; L65-L110 HydrophobicContact CD1-CD1 4.04Å; V66-L110 HydrophobicContact CG2-CB 3.72Å; V66-L110 HydrophobicContact CG2-CD1 4.08Å; V66-L110 HydrophobicContact CG2-CG 4.47Å; F94-L110 HydrophobicContact CE1-CD2 4.07Å; F94-L110 HydrophobicContact CZ-CD2 4.46Å; I106-L110 PolarHBondContact O-N 2.84Å; I107-L110 PolarHBondContact O-N 2.91Å; R108-L110 VanDerWaalsContact C-N 3.32Å; R108-L110 PolarHBondContact O-N 3.02Å; L110-D112 PolarHBondContact O-N 2.97Å; L110-A113 PolarHBondContact O-N 3.44Å; L110-L114 HydrophobicContact CD1-CD1 3.79Å; L110-L114 HydrophobicContact CD1-CG 4.12Å; L110-L114 HydrophobicContact CD2-CD1 4.27Å; L110-L114 HydrophobicContact CG-CD1 3.73Å; L110-L114 HydrophobicContact CG-CG 4.4Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3Å
111K96.1Very high94.5Very high63 Ų6371.1 Ų71.127%0.27435%0.35SS..Hα-helixtrans-54.6-53.3175-77.3-174168.5-167.70110.5F94 I107 R108 A113 L114 E115 F121F94-K111 HydrophobicContact CE2-CD 4.17Å; F94-K111 HydrophobicContact CE2-CG 3.88Å; F94-K111 HydrophobicContact CZ-CG 3.88Å; I107-K111 HydrophobicContact CG2-CD 4.38Å; I107-K111 HydrophobicContact CG2-CG 4.41Å; I107-K111 WeakPolarHBondContact O-CB 3.31Å; I107-K111 WeakPolarHBondContact O-CG 3.25Å; I107-K111 PolarHBondContact O-N 2.86Å; R108-K111 PolarHBondContact O-N 3.01Å; K111-A113 PolarHBondContact O-N 3.41Å; K111-L114 PolarHBondContact O-N 3.03Å; K111-L114 VanDerWaalsContact O-N 3.08Å; K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 WeakPolarHBondContact O-CG 3.37Å; K111-E115 PolarHBondContact O-N 2.79Å; K111-F121 HydrophobicContact CB-CD2 4.4Å; K111-F121 HydrophobicContact CB-CE2 4.06Å; K111-F121 HydrophobicContact CB-CZ 4.34Å; K111-F121 HydrophobicContact CD-CD2 4.48Å; K111-F121 HydrophobicContact CD-CG 4.45Å; K111-F121 HydrophobicContact CG-CD1 4.28Å; K111-F121 HydrophobicContact CG-CD2 4.01Å; K111-F121 HydrophobicContact CG-CE1 4.16Å; K111-F121 HydrophobicContact CG-CE2 3.94Å; K111-F121 HydrophobicContact CG-CG 4.18Å; K111-F121 HydrophobicContact CG-CZ 4Å
112D95.8Very high94.2Very high72 Ų7269.6 Ų69.639%0.38535%0.35SS..Hα-helixtrans-57.5-37179.5-66.4-13000112.4R108 L110 K116R108-D112 VanDerWaalsContact O-CG 3.24Å; R108-D112 PolarHBondContact O-N 2.76Å; L110-D112 PolarHBondContact O-N 2.97Å; D112-K116 WeakPolarHBondContact O-CD 3.44Å; D112-K116 VanDerWaalsContact O-CG 3.25Å; D112-K116 WeakPolarHBondContact O-CG 3.41Å
113A95.3Very high94.3Very high26 Ų2667.5 Ų67.522%0.21534%0.338CS..Hα-helixtrans-71.7-35.5178.600000113Q109 L110 K111 R117Q109-A113 WeakPolarHBondContact O-CB 3.21Å; Q109-A113 PolarHBondContact O-N 2.77Å; Q109-A113 VanDerWaalsContact O-N 3.08Å; L110-A113 PolarHBondContact O-N 3.44Å; K111-A113 PolarHBondContact O-N 3.41Å; A113-R117 WeakPolarHBondContact O-CG 3.09Å
114L96.1Very high94.3Very high0 Ų070.4 Ų70.40%035%0.353CS..Hα-helixtrans-85.3-35.9-178-73.1174.3000112.4I18 F61 Y62 L65 L92 L110 K111 K116 R117 G118 Y119 F121I18-L114 HydrophobicContact CD1-CD1 4.26Å; F61-L114 HydrophobicContact CE1-CD2 4.43Å; Y62-L114 HydrophobicContact CD1-CD1 4.15Å; Y62-L114 HydrophobicContact CE1-CD1 4.04Å; Y62-L114 HydrophobicContact CE1-CD2 4.3Å; L65-L114 HydrophobicContact CD1-CD2 3.71Å; L65-L114 HydrophobicContact CD1-CG 4.17Å; L92-L114 HydrophobicContact CD1-CD1 3.76Å; L110-L114 HydrophobicContact CD1-CD1 3.79Å; L110-L114 HydrophobicContact CD1-CG 4.12Å; L110-L114 HydrophobicContact CD2-CD1 4.27Å; L110-L114 HydrophobicContact CG-CD1 3.73Å; L110-L114 HydrophobicContact CG-CG 4.4Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3Å; K111-L114 PolarHBondContact O-N 3.03Å; K111-L114 VanDerWaalsContact O-N 3.08Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.1Å; L114-R117 CarbonylContact O-C 3.59Å; L114-R117 WeakPolarHBondContact O-CA 3.16Å; L114-R117 WeakPolarHBondContact O-CB 3.33Å; L114-R117 PolarHBondContact O-N 2.9Å; L114-G118 PolarHBondContact O-N 3.46Å; L114-Y119 HydrophobicContact CB-CD2 3.96Å; L114-Y119 HydrophobicContact CB-CG 4.44Å; L114-Y119 HydrophobicContact CD2-CD2 3.65Å; L114-Y119 HydrophobicContact CD2-CE2 3.97Å; L114-Y119 HydrophobicContact CD2-CG 4.49Å; L114-Y119 HydrophobicContact CG-CD2 4.4Å; L114-Y119 VanDerWaalsContact O-CD2 3.32Å; L114-Y119 WeakPolarHBondContact O-CD2 3.27Å; L114-Y119 PolarHBondContact O-N 2.91Å; L114-Y119 VanDerWaalsContact O-N 3.15Å; L114-F121 HydrophobicContact CB-CE2 4.1Å; L114-F121 HydrophobicContact CB-CZ 3.65Å; L114-F121 HydrophobicContact CD1-CE1 4.23Å; L114-F121 HydrophobicContact CD1-CZ 3.75Å; L114-F121 HydrophobicContact CG-CZ 4.35Å
115E95Very high94.3Very high107 Ų10767.2 Ų67.250%0.534%0.341SS..Hα-helixtrans-60.1-40.7173.6-72.3-178.1167.200111.3K111 R117 G118 Y119 F121K111-E115 WeakPolarHBondContact O-CB 3.44Å; K111-E115 WeakPolarHBondContact O-CG 3.37Å; K111-E115 PolarHBondContact O-N 2.79Å; E115-R117 PolarHBondContact O-N 2.87Å; E115-G118 PolarHBondContact O-N 3.06Å; E115-Y119 WeakPolarHBondContact CA-O 3.4Å; E115-F121 HydrophobicContact CG-CD2 4.02Å; E115-F121 HydrophobicContact CG-CE2 3.78Å
116K92.8Very high94.2Very high181 Ų18167.6 Ų67.679%0.78733%0.333SS*.THydrogen-bonded Turntrans-59.8-18.3172.7-73.1172.8-173.1173.70113.8D112 L114D112-K116 WeakPolarHBondContact O-CD 3.44Å; D112-K116 VanDerWaalsContact O-CG 3.25Å; D112-K116 WeakPolarHBondContact O-CG 3.41Å; L114-K116 VanDerWaalsContact C-N 3.29Å; L114-K116 PolarHBondContact O-N 3.1Å
117R92.2Very high94.1Very high87 Ų8770.8 Ų70.833%0.32835%0.348SS..THydrogen-bonded Turntrans-101.64.3177.7-63176.6177.8-145.6-0.1112.8V8 A113 L114 E115 Y119V8-R117 PolarHBondContact O-NH1 3.5Å; A113-R117 WeakPolarHBondContact O-CG 3.09Å; L114-R117 CarbonylContact O-C 3.59Å; L114-R117 WeakPolarHBondContact O-CA 3.16Å; L114-R117 WeakPolarHBondContact O-CB 3.33Å; L114-R117 PolarHBondContact O-N 2.9Å; E115-R117 PolarHBondContact O-N 2.87Å; R117-Y119 HydrophobicContact CB-CD2 3.92Å; R117-Y119 HydrophobicContact CB-CE2 3.78Å
118G92.9Very high94Very high48 Ų4874.7 Ų74.750%0.49537%0.367SS..THydrogen-bonded Turntrans90.512.5176.100000115.3L114 E115L114-G118 PolarHBondContact O-N 3.46Å; E115-G118 PolarHBondContact O-N 3.06Å
119Y94.7Very high93.9Very high17 Ų1767.5 Ų67.57%0.06735%0.346CS..  trans-85149.7172.4-58.3-74.8000111.3P13 L85 N90 L92 L114 E115 R117P13-Y119 WeakPolarHBondContact CD-OH 3.34Å; P13-Y119 HydrophobicContact CG-CE1 3.96Å; P13-Y119 HydrophobicContact CG-CE2 4.46Å; L85-Y119 HydrophobicContact CD2-CD1 3.93Å; L85-Y119 HydrophobicContact CD2-CE1 3.57Å; L85-Y119 HydrophobicContact CG-CE1 4.46Å; N90-Y119 HydrophobicContact CB-CD1 3.93Å; N90-Y119 HydrophobicContact CB-CE1 4.39Å; L92-Y119 HydrophobicContact CD1-CD1 4.06Å; L92-Y119 HydrophobicContact CD1-CG 3.85Å; L92-Y119 HydrophobicContact CG-CD1 4.44Å; L114-Y119 HydrophobicContact CB-CD2 3.96Å; L114-Y119 HydrophobicContact CB-CG 4.44Å; L114-Y119 HydrophobicContact CD2-CD2 3.65Å; L114-Y119 HydrophobicContact CD2-CE2 3.97Å; L114-Y119 HydrophobicContact CD2-CG 4.49Å; L114-Y119 HydrophobicContact CG-CD2 4.4Å; L114-Y119 VanDerWaalsContact O-CD2 3.32Å; L114-Y119 WeakPolarHBondContact O-CD2 3.27Å; L114-Y119 PolarHBondContact O-N 2.91Å; L114-Y119 VanDerWaalsContact O-N 3.15Å; E115-Y119 WeakPolarHBondContact CA-O 3.4Å; R117-Y119 HydrophobicContact CB-CD2 3.92Å; R117-Y119 HydrophobicContact CB-CE2 3.78Å
120T93.9Very high93.8Very high71 Ų7166.7 Ų66.744%0.43635%0.345SS..EExtended strand (participates in β ladder)trans-119.1164.1175.257.70000110.2N90 L91 L92N90-T120 PolarHBondContact O-N 2.68Å; N90-T120 PolarHBondContact O-OG1 3.16Å; L91-T120 WeakPolarHBondContact CD1-OG1 3.32Å; L92-T120 PolarHBondContact N-O 2.76Å
121F92.5Very high93.5Very high32 Ų3272.3 Ų72.314%0.1437%0.373CS..EExtended strand (participates in β ladder)trans-131.8142.1-175-63.4-83000111.2I18 L92 F94 K111 L114 E115I18-F121 HydrophobicContact CD1-CE1 4.35Å; L92-F121 HydrophobicContact CB-CD1 3.71Å; L92-F121 HydrophobicContact CB-CE1 3.66Å; L92-F121 HydrophobicContact CD1-CE1 3.76Å; L92-F121 HydrophobicContact CD1-CZ 3.94Å; L92-F121 HydrophobicContact CG-CE1 4.37Å; L92-F121 WeakPolarHBondContact O-CA 3.13Å; F94-F121 HydrophobicContact CD2-CD1 4.2Å; F94-F121 AromaticContact CE2-CD1 3.32Å; F94-F121 HydrophobicContact CE2-CD1 3.32Å; F94-F121 AromaticContact CE2-CE1 3.56Å; F94-F121 HydrophobicContact CE2-CE1 3.56Å; F94-F121 HydrophobicContact CE2-CG 4.21Å; F94-F121 AromaticContact CZ-CD1 3.91Å; F94-F121 HydrophobicContact CZ-CD1 3.91Å; F94-F121 AromaticContact CZ-CE1 3.62Å; F94-F121 HydrophobicContact CZ-CE1 3.62Å; F94-F121 HydrophobicContact CZ-CZ 4.5Å; K111-F121 HydrophobicContact CB-CD2 4.4Å; K111-F121 HydrophobicContact CB-CE2 4.06Å; K111-F121 HydrophobicContact CB-CZ 4.34Å; K111-F121 HydrophobicContact CD-CD2 4.48Å; K111-F121 HydrophobicContact CD-CG 4.45Å; K111-F121 HydrophobicContact CG-CD1 4.28Å; K111-F121 HydrophobicContact CG-CD2 4.01Å; K111-F121 HydrophobicContact CG-CE1 4.16Å; K111-F121 HydrophobicContact CG-CE2 3.94Å; K111-F121 HydrophobicContact CG-CG 4.18Å; K111-F121 HydrophobicContact CG-CZ 4Å; L114-F121 HydrophobicContact CB-CE2 4.1Å; L114-F121 HydrophobicContact CB-CZ 3.65Å; L114-F121 HydrophobicContact CD1-CE1 4.23Å; L114-F121 HydrophobicContact CD1-CZ 3.75Å; L114-F121 HydrophobicContact CG-CZ 4.35Å; E115-F121 HydrophobicContact CG-CD2 4.02Å; E115-F121 HydrophobicContact CG-CE2 3.78Å
122L85.2Confident93.3Very high163 Ų16373.1 Ų73.185%0.85338%0.382SS*.  trans-87.90158.8-62.7-171.2000112L91 L92 H93L91-L122 HydrophobicContact CD1-CD2 3.92Å; L91-L122 HydrophobicContact CD1-CG 3.86Å; L91-L122 HydrophobicContact CD2-CD1 4Å; L91-L122 HydrophobicContact CD2-CD2 4Å; L91-L122 HydrophobicContact CD2-CG 3.76Å; L91-L122 HydrophobicContact CG-CD2 4.43Å; L91-L122 HydrophobicContact CG-CG 4.02Å; L92-L122 PolarHBondContact O-N 3.33Å; H93-L122 WeakPolarHBondContact CE1-CD1 3.17Å; H93-L122 VanDerWaalsContact CE1-CG 3.41Å; H93-L122 WeakPolarHBondContact CE1-CG 3.27Å

Retrieved 122 of 122 residues in 244.4 ms (Link to these results)

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