A0A3Q0KE02_SCHMA Loading...

Putative universal stress protein

AlphaFold DB (G4VPM6), UniProt , Accession A0A3Q0KE02, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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
1M39.1Very low79.5Confident239 Ų23977.2 Ų77.2100%1.17744%0.441SS*.  0120.60-61.1-171.4-158.200106.4S3M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.09Å
2A52.5Low80.9Confident101 Ų10171.8 Ų71.884%0.83541%0.411SS*.  trans-60.7116.9164.900000105.7N4A2-N4 PolarHBondContact O-N 2.73Å
3S53.6Low82Confident105 Ų10567 Ų6773%0.73438%0.383SS*.  trans-53.4115.4168.9460000106.2M1 C5M1-S3 PolarHBondContact O-N 3.09Å; M1-S3 VanDerWaalsContact O-N 3.09Å; S3-C5 PolarHBondContact O-N 3.02Å
4N63.5Low82.7Confident145 Ų14565.8 Ų65.878%0.77538%0.375SS*.  trans-70.445.6179.4-168.745.6000110.9A2 M6A2-N4 PolarHBondContact O-N 2.73Å; N4-M6 PolarHBondContact O-N 3.24Å; N4-M6 VanDerWaalsContact O-N 3.12Å
5C82.4Confident83.2Confident97 Ų9763.2 Ų63.266%0.65537%0.369SS*.  trans-78.6101.4-179.6-164.50000106.7S3 R7S3-C5 PolarHBondContact O-N 3.02Å; C5-R7 PolarHBondContact O-N 3.12Å
6M93.2Very high83.6Confident53 Ų5360 Ų6026%0.26135%0.351SS..  trans-42.5121.7174.2-178.3-179.27700110.8N4 R8 D34 F36N4-M6 PolarHBondContact O-N 3.24Å; N4-M6 VanDerWaalsContact O-N 3.12Å; M6-R8 HydrophobicContact CE-CG 4.2Å; M6-D34 CarbonylContact C-O 3.56Å; M6-D34 VanDerWaalsContact CA-O 3.28Å; M6-D34 WeakPolarHBondContact CA-O 3.28Å; M6-D34 WeakPolarHBondContact CG-O 3.49Å; M6-F36 HydrophobicContact CE-CB 3.88Å; M6-F36 HydrophobicContact CE-CD2 4.2Å; M6-F36 HydrophobicContact CE-CG 4.18Å; M6-F36 HydrophobicContact CG-CB 3.71Å; M6-F36 HydrophobicContact SD-CB 3.54Å; M6-F36 VanDerWaalsContact SD-CB 3.54Å; M6-F36 HydrophobicContact SD-CD2 3.75Å; M6-F36 HydrophobicContact SD-CG 4.01Å
7R96.7Very high84Confident24 Ų2463.9 Ų63.99%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-81.4121.8178.3-177178.968.1161.12.5109.3C5 V9 F30 D34 D35 F36 D119C5-R7 PolarHBondContact O-N 3.12Å; R7-V9 HydrophobicContact CG-CG2 4.36Å; R7-F30 PolarHBondContact NH2-O 3.11Å; R7-D34 PolarHBondContact N-O 3Å; R7-D35 IonicContact CZ-OD1 3.9Å; R7-D35 IonicContact CZ-OD2 2.88Å; R7-D35 IonicContact NE-OD1 2.85Å; R7-D35 PolarHBondContact NE-OD1 3.13Å; R7-D35 IonicContact NE-OD2 3.5Å; R7-D35 IonicContact NH2-OD1 3.85Å; R7-D35 PolarHBondContact NH2-OD1 3.22Å; R7-D35 IonicContact NH2-OD2 2.76Å; R7-D35 PolarHBondContact NH2-OD2 3.24Å; R7-D35 CarbonylContact O-C 3.56Å; R7-D35 WeakPolarHBondContact O-CA 3.49Å; R7-F36 PolarHBondContact O-N 2.78Å; R7-D119 WeakPolarHBondContact CA-OD2 3.49Å; R7-D119 HydrophobicContact CG-CB 4.06Å
8R98.1Very high84.3Confident82 Ų8262.8 Ų62.831%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-92.3115.7-179.7-65.4-177.8-168.3-99.91.4110M6 F36 Y38 R116 S117 D119 V120M6-R8 HydrophobicContact CE-CG 4.2Å; R8-F36 WeakPolarHBondContact CA-O 3.05Å; R8-Y38 HydrophobicContact CB-CE2 4.1Å; R8-Y38 HydrophobicContact CG-CE2 4.21Å; R8-Y38 PolarHBondContact NH1-OH 3.34Å; R8-R116 WeakPolarHBondContact CD-O 3.4Å; R8-S117 WeakPolarHBondContact CD-O 3.32Å; R8-D119 PolarHBondContact N-OD2 3.17Å; R8-D119 PolarHBondContact O-N 3.25Å; R8-V120 PolarHBondContact O-N 2.68Å
9V98.5Very high84.8Confident0 Ų059.9 Ų59.90%034%0.34CS..EExtended strand (participates in β ladder)trans-108.9129.5-179.1-175.40000108.7R7 L11 Y26 D35 F36 A37 Y38 V120R7-V9 HydrophobicContact CG-CG2 4.36Å; V9-L11 HydrophobicContact CB-CD1 4.32Å; V9-L11 HydrophobicContact CG1-CD1 3.6Å; V9-L11 HydrophobicContact CG1-CG 4.34Å; V9-Y26 HydrophobicContact CB-CE2 4.32Å; V9-Y26 HydrophobicContact CG1-CD2 4.25Å; V9-Y26 HydrophobicContact CG1-CE2 3.86Å; V9-Y26 HydrophobicContact CG2-CE2 4.11Å; V9-D35 HydrophobicContact CG2-CB 4.44Å; V9-F36 PolarHBondContact N-O 2.91Å; V9-A37 CarbonylContact O-C 3.55Å; V9-A37 WeakPolarHBondContact O-CA 3.13Å; V9-Y38 PolarHBondContact O-N 3.35Å; V9-V120 HydrophobicContact CB-CG1 4.26Å; V9-V120 HydrophobicContact CG1-CG1 4.09Å; V9-V120 HydrophobicContact CG2-CG1 3.86Å
10L98.7Very high85.2Confident1 Ų160.4 Ų60.41%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-106.2123.6173.4-17964.9000110.5F40 I109 V112 A113 V118 V120 I121 L122L10-F40 HydrophobicContact CD1-CB 3.61Å; L10-F40 HydrophobicContact CD1-CG 4.4Å; L10-I109 HydrophobicContact CD2-CG2 3.96Å; L10-V112 HydrophobicContact CD1-CG1 3.99Å; L10-V112 HydrophobicContact CD2-CG1 3.65Å; L10-A113 HydrophobicContact CD2-CB 3.82Å; L10-V118 HydrophobicContact CB-CB 4.32Å; L10-V118 HydrophobicContact CB-CG1 3.59Å; L10-V118 HydrophobicContact CB-CG2 3.85Å; L10-V120 PolarHBondContact N-O 3.41Å; L10-I121 HydrophobicContact CB-CG1 4.33Å; L10-I121 HydrophobicContact CD2-CD1 4.45Å; L10-I121 HydrophobicContact CD2-CG1 4.18Å; L10-I121 CarbonylContact O-C 3.6Å; L10-I121 WeakPolarHBondContact O-CA 3.42Å; L10-L122 PolarHBondContact O-N 2.74Å
11L98.1Very high85.6Confident2 Ų259.7 Ų59.71%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-116.399.9174.4-64.697.7000110.2V9 I13 V23 Y26 A37 Y38 F39 F40 L122V9-L11 HydrophobicContact CB-CD1 4.32Å; V9-L11 HydrophobicContact CG1-CD1 3.6Å; V9-L11 HydrophobicContact CG1-CG 4.34Å; L11-I13 HydrophobicContact CB-CG2 4.48Å; L11-I13 PolarHBondContact O-N 2.87Å; L11-V23 HydrophobicContact CD2-CG2 4.26Å; L11-Y26 HydrophobicContact CD1-CD1 4.03Å; L11-Y26 HydrophobicContact CD1-CE1 4.09Å; L11-Y26 HydrophobicContact CD1-CG 4.39Å; L11-Y26 HydrophobicContact CD2-CD1 3.79Å; L11-Y26 HydrophobicContact CD2-CG 3.81Å; L11-A37 HydrophobicContact CD1-CB 4.1Å; L11-Y38 PolarHBondContact N-O 3.49Å; L11-F39 HydrophobicContact CB-CD1 3.9Å; L11-F39 HydrophobicContact CB-CE1 4.16Å; L11-F39 HydrophobicContact CD1-CD1 4.46Å; L11-F39 HydrophobicContact CD1-CE1 4.13Å; L11-F39 HydrophobicContact CD1-CZ 4.29Å; L11-F39 HydrophobicContact CD2-CE1 3.94Å; L11-F39 HydrophobicContact CG-CE1 4.32Å; L11-F39 CarbonylContact O-C 3.6Å; L11-F39 WeakPolarHBondContact O-CA 3.32Å; L11-F40 PolarHBondContact O-N 3.32Å; L11-L122 WeakPolarHBondContact CA-O 3.33Å; L11-L122 HydrophobicContact CD2-CD2 3.69Å; L11-L122 HydrophobicContact CG-CB 4.45Å; L11-L122 HydrophobicContact CG-CD2 4.26Å
12P96.9Very high88.3Confident12 Ų1248.5 Ų48.58%0.07828%0.276CS..EExtended strand (participates in β ladder)trans-64.7128.9168.6-21.134.5000110.9F40 I109 I121 L122 I123P12-F40 CarbonylContact C-O 3.5Å; P12-F40 VanDerWaalsContact CA-O 3.27Å; P12-F40 WeakPolarHBondContact CA-O 3.39Å; P12-I109 HydrophobicContact CB-CD1 3.54Å; P12-I109 HydrophobicContact CB-CG1 4.01Å; P12-I109 HydrophobicContact CG-CB 4.47Å; P12-I109 HydrophobicContact CG-CD1 3.7Å; P12-I109 HydrophobicContact CG-CG1 3.88Å; P12-I109 HydrophobicContact CG-CG2 3.7Å; P12-I121 HydrophobicContact CG-CG2 4.22Å; P12-L122 VanDerWaalsContact CD-O 3.27Å; P12-L122 WeakPolarHBondContact CD-O 3.38Å; P12-I123 HydrophobicContact CB-CD1 3.89Å; P12-I123 HydrophobicContact CB-CG1 4.13Å; P12-I123 HydrophobicContact CG-CD1 4.08Å; P12-I123 HydrophobicContact CG-CG1 4.3Å
13I95.6Very high90.3Very high10 Ų1044.2 Ų44.25%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-130.1145.8-177.764.2168.4000112.7L11 S19 V23 F39 F40 H41 L80 L84 Y97L11-I13 HydrophobicContact CB-CG2 4.48Å; L11-I13 PolarHBondContact O-N 2.87Å; I13-S19 WeakPolarHBondContact CA-OG 3.13Å; I13-S19 WeakPolarHBondContact CB-OG 3.4Å; I13-S19 VanDerWaalsContact CG2-OG 3.22Å; I13-S19 WeakPolarHBondContact CG2-OG 3.49Å; I13-V23 HydrophobicContact CG2-CG2 3.84Å; I13-F39 HydrophobicContact CD1-CB 3.93Å; I13-F39 HydrophobicContact CG1-CB 4.47Å; I13-F39 HydrophobicContact CG2-CD1 4.1Å; I13-F40 PolarHBondContact N-O 2.77Å; I13-H41 HydrophobicContact CG1-CB 4.19Å; I13-H41 WeakPolarHBondContact O-CA 3.28Å; I13-H41 PolarHBondContact O-ND1 2.86Å; I13-L80 HydrophobicContact CD1-CD2 4.15Å; I13-L80 HydrophobicContact CD1-CG 4.23Å; I13-L80 HydrophobicContact CG1-CD2 4.28Å; I13-L84 HydrophobicContact CD1-CD2 3.99Å; I13-Y97 HydrophobicContact CD1-CD2 4.1Å; I13-Y97 HydrophobicContact CD1-CE2 3.85Å; I13-Y97 HydrophobicContact CG1-CE2 4.48Å
14D91.6Very high92.3Very high50 Ų5043.8 Ų43.827%0.26723%0.229SC..  trans-136.88.2-177.170.3-12.2000113.4S16 S19 G127 L128D14-S16 PolarHBondContact O-N 2.67Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; D14-S16 PolarHBondContact OD2-OG 2.97Å; D14-S19 VanDerWaalsContact OD1-CB 3.22Å; D14-S19 WeakPolarHBondContact OD1-CB 3.36Å; D14-G127 VanDerWaalsContact OD2-CA 3.22Å; D14-G127 WeakPolarHBondContact OD2-CA 3.36Å; D14-L128 PolarHBondContact OD2-N 2.84Å
15G89.5Confident93.8Very high27 Ų2741.2 Ų41.228%0.27821%0.208SC..SBendtrans75.4-2.8-176.700000114.9K20G15-K20 VanDerWaalsContact O-CE 3.31Å; G15-K20 WeakPolarHBondContact O-CE 3.37Å
16S90.2Very high94.5Very high12 Ų1236.6 Ų36.68%0.08418%0.177CC..SBendtrans-69.1158.3175.173.30000112.1D14 H18 S19 K20D14-S16 PolarHBondContact O-N 2.67Å; D14-S16 WeakPolarHBondContact OD1-CB 3.36Å; D14-S16 PolarHBondContact OD1-N 3.08Å; D14-S16 PolarHBondContact OD1-OG 3.15Å; D14-S16 PolarHBondContact OD2-OG 2.97Å; S16-H18 PolarHBondContact O-N 2.81Å; S16-H18 VanDerWaalsContact O-N 3.17Å; S16-H18 PolarHBondContact OG-N 2.92Å; S16-S19 PolarHBondContact O-N 2.87Å; S16-S19 PolarHBondContact OG-N 3.43Å; S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 3.19Å
17E89.8Confident94.6Very high126 Ų12636.2 Ų36.259%0.58918%0.176SC*.Hα-helixtrans-59.9-26.2174-63.6-51.2120.400112.8K20 R21E17-K20 IonicContact OE1-NZ 2.74Å; E17-K20 PolarHBondContact OE1-NZ 2.89Å; E17-R21 VanDerWaalsContact O-CB 3.26Å; E17-R21 WeakPolarHBondContact O-CB 3.31Å; E17-R21 PolarHBondContact O-N 3.43Å
18H89.6Confident94.5Very high44 Ų4439.7 Ų39.720%0.20420%0.2CC..Hα-helixtrans-74.4-40.7177.9-58.9-37.5000112.6S16 A22 R126S16-H18 PolarHBondContact O-N 2.81Å; S16-H18 VanDerWaalsContact O-N 3.17Å; S16-H18 PolarHBondContact OG-N 2.92Å; H18-A22 PolarHBondContact O-N 3.43Å; H18-A22 VanDerWaalsContact O-N 3.09Å; H18-R126 WeakPolarHBondContact CB-O 3.38Å; H18-R126 WeakPolarHBondContact CD2-CB 3.37Å; H18-R126 PolarHBondContact CD2-O 3.43Å
19S93.1Very high94.4Very high9 Ų942 Ų426%0.06321%0.214CC..Hα-helixtrans-64.5-48.3172.1170.50000110.5I13 D14 S16 R21 A22 V23I13-S19 WeakPolarHBondContact CA-OG 3.13Å; I13-S19 WeakPolarHBondContact CB-OG 3.4Å; I13-S19 VanDerWaalsContact CG2-OG 3.22Å; I13-S19 WeakPolarHBondContact CG2-OG 3.49Å; D14-S19 VanDerWaalsContact OD1-CB 3.22Å; D14-S19 WeakPolarHBondContact OD1-CB 3.36Å; S16-S19 PolarHBondContact O-N 2.87Å; S16-S19 PolarHBondContact OG-N 3.43Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.27Å; S19-A22 WeakPolarHBondContact O-CA 3.39Å; S19-A22 WeakPolarHBondContact O-CB 3.3Å; S19-A22 PolarHBondContact O-N 2.91Å; S19-V23 WeakPolarHBondContact O-CG2 3.4Å; S19-V23 PolarHBondContact O-N 2.7Å
20K93.8Very high94.3Very high69 Ų6944.3 Ų44.330%0.322%0.224SC..Hα-helixtrans-55.8-43.9175.8-68.5175.2-168.1162.60112.6G15 S16 E17 A22 V23 N24G15-K20 VanDerWaalsContact O-CE 3.31Å; G15-K20 WeakPolarHBondContact O-CE 3.37Å; S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 3.19Å; E17-K20 IonicContact OE1-NZ 2.74Å; E17-K20 PolarHBondContact OE1-NZ 2.89Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 2.82Å; K20-V23 PolarHBondContact O-N 2.74Å; K20-N24 VanDerWaalsContact O-CG 3.3Å; K20-N24 PolarHBondContact O-N 3.39Å
21R93.2Very high94.1Very high46 Ų4646.3 Ų46.317%0.17424%0.238CC..Hα-helixtrans-61.1-40.8175.1177.2179.744.462.3-0.6112.3E17 S19 N24 W25 I154 P155E17-R21 VanDerWaalsContact O-CB 3.26Å; E17-R21 WeakPolarHBondContact O-CB 3.31Å; E17-R21 PolarHBondContact O-N 3.43Å; S19-R21 VanDerWaalsContact C-N 3.31Å; S19-R21 PolarHBondContact O-N 3.27Å; R21-N24 PolarHBondContact O-N 2.86Å; R21-W25 WeakPolarHBondContact O-CB 3.41Å; R21-W25 PolarHBondContact O-N 3.18Å; R21-I154 VanDerWaalsContact NH1-C 3.27Å; R21-I154 PolarHBondContact NH1-O 3.32Å; R21-I154 PolarHBondContact NH2-O 2.92Å; R21-P155 VanDerWaalsContact CZ-C 3.49Å; R21-P155 PolarHBondContact NH1-O 2.87Å
22A95Very high94Very high3 Ų352.5 Ų52.53%0.02526%0.262CS..Hα-helixtrans-66.2-41.4176.800000111.7H18 S19 K20 W25 Y26 L122 I154H18-A22 PolarHBondContact O-N 3.43Å; H18-A22 VanDerWaalsContact O-N 3.09Å; S19-A22 WeakPolarHBondContact O-CA 3.39Å; S19-A22 WeakPolarHBondContact O-CB 3.3Å; S19-A22 PolarHBondContact O-N 2.91Å; K20-A22 VanDerWaalsContact C-N 3.33Å; K20-A22 PolarHBondContact O-N 2.82Å; A22-W25 PolarHBondContact O-N 2.76Å; A22-Y26 WeakPolarHBondContact O-CB 3.27Å; A22-Y26 PolarHBondContact O-N 3.34Å; A22-L122 HydrophobicContact CB-CD2 3.96Å; A22-L122 WeakPolarHBondContact O-CD2 3.47Å; A22-I154 HydrophobicContact CB-CB 4.02Å; A22-I154 HydrophobicContact CB-CG1 3.85Å
23V95.8Very high93.7Very high11 Ų1158.2 Ų58.27%0.06730%0.298CS..Hα-helixtrans-59-51.1172.5172.90000110.6L11 I13 S19 K20 W25 Y26 L27 F39 L84L11-V23 HydrophobicContact CD2-CG2 4.26Å; I13-V23 HydrophobicContact CG2-CG2 3.84Å; S19-V23 WeakPolarHBondContact O-CG2 3.4Å; S19-V23 PolarHBondContact O-N 2.7Å; K20-V23 PolarHBondContact O-N 2.74Å; V23-W25 PolarHBondContact O-N 2.97Å; V23-Y26 WeakPolarHBondContact O-CB 3.34Å; V23-Y26 PolarHBondContact O-N 3.5Å; V23-Y26 VanDerWaalsContact O-N 3.15Å; V23-L27 HydrophobicContact CG1-CD1 3.95Å; V23-L27 HydrophobicContact CG1-CG 4.38Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 2.9Å; V23-F39 HydrophobicContact CB-CE1 4.37Å; V23-F39 HydrophobicContact CG1-CE1 3.81Å; V23-F39 HydrophobicContact CG1-CZ 4.42Å; V23-F39 HydrophobicContact CG2-CD1 4.13Å; V23-F39 HydrophobicContact CG2-CE1 3.78Å; V23-L84 HydrophobicContact CG1-CD1 4.33Å
24N95Very high93.6Very high96 Ų9660.4 Ų60.451%0.51331%0.31SS..Hα-helixtrans-59.7-45.3179.8-70.7-11.4000112.2K20 R21 Y26 L27 T28K20-N24 VanDerWaalsContact O-CG 3.3Å; K20-N24 PolarHBondContact O-N 3.39Å; R21-N24 PolarHBondContact O-N 2.86Å; N24-Y26 VanDerWaalsContact C-N 3.31Å; N24-Y26 PolarHBondContact O-N 3.03Å; N24-L27 PolarHBondContact O-N 3.3Å; N24-T28 WeakPolarHBondContact O-CG2 3.28Å; N24-T28 PolarHBondContact O-N 2.93Å; N24-T28 PolarHBondContact O-OG1 3.12Å
25W95.7Very high93.9Very high92 Ų9258 Ų5835%0.34830%0.298SS..Hα-helixtrans-62.5-39.5176.9-17588.2000112.1R21 A22 V23 T28 E29 F30 L122 I152 I154R21-W25 WeakPolarHBondContact O-CB 3.41Å; R21-W25 PolarHBondContact O-N 3.18Å; A22-W25 PolarHBondContact O-N 2.76Å; V23-W25 PolarHBondContact O-N 2.97Å; W25-T28 PolarHBondContact O-N 2.91Å; W25-E29 HydrophobicContact CD2-CB 4.18Å; W25-E29 HydrophobicContact CD2-CG 4.37Å; W25-E29 HydrophobicContact CG-CB 4.49Å; W25-E29 HydrophobicContact CG-CG 4.19Å; W25-E29 HydrophobicContact CZ2-CB 4.1Å; W25-E29 WeakPolarHBondContact O-CB 3.43Å; W25-E29 PolarHBondContact O-N 3.15Å; W25-F30 HydrophobicContact CE3-CB 4.13Å; W25-F30 HydrophobicContact CH2-CB 4.02Å; W25-F30 HydrophobicContact CH2-CD2 4.09Å; W25-F30 HydrophobicContact CH2-CG 4.35Å; W25-F30 HydrophobicContact CZ3-CB 3.53Å; W25-F30 HydrophobicContact CZ3-CD2 4.1Å; W25-F30 AromaticContact CZ3-CG 3.93Å; W25-F30 HydrophobicContact CZ3-CG 3.93Å; W25-L122 HydrophobicContact CE3-CD1 3.78Å; W25-L122 HydrophobicContact CZ3-CD1 3.56Å; W25-I152 HydrophobicContact CZ3-CG2 4.44Å; W25-I154 HydrophobicContact CB-CG2 4.14Å; W25-I154 HydrophobicContact CD2-CD1 3.74Å; W25-I154 HydrophobicContact CD2-CG1 4.5Å; W25-I154 HydrophobicContact CE3-CD1 3.39Å; W25-I154 HydrophobicContact CE3-CG1 4.21Å; W25-I154 HydrophobicContact CG-CD1 4.36Å; W25-I154 HydrophobicContact CG-CG2 4.18Å; W25-I154 HydrophobicContact CH2-CD1 4.29Å; W25-I154 HydrophobicContact CZ3-CD1 3.7Å
26Y96.9Very high94.2Very high0 Ų058.6 Ų58.60%029%0.293CS..Iπ-helixtrans-58-50.5173.5165.4-113.3000111.1V9 L11 A22 V23 N24 T28 F30 S31 D35 A37 I93V9-Y26 HydrophobicContact CB-CE2 4.32Å; V9-Y26 HydrophobicContact CG1-CD2 4.25Å; V9-Y26 HydrophobicContact CG1-CE2 3.86Å; V9-Y26 HydrophobicContact CG2-CE2 4.11Å; L11-Y26 HydrophobicContact CD1-CD1 4.03Å; L11-Y26 HydrophobicContact CD1-CE1 4.09Å; L11-Y26 HydrophobicContact CD1-CG 4.39Å; L11-Y26 HydrophobicContact CD2-CD1 3.79Å; L11-Y26 HydrophobicContact CD2-CG 3.81Å; A22-Y26 WeakPolarHBondContact O-CB 3.27Å; A22-Y26 PolarHBondContact O-N 3.34Å; V23-Y26 WeakPolarHBondContact O-CB 3.34Å; V23-Y26 PolarHBondContact O-N 3.5Å; V23-Y26 VanDerWaalsContact O-N 3.15Å; N24-Y26 VanDerWaalsContact C-N 3.31Å; N24-Y26 PolarHBondContact O-N 3.03Å; Y26-T28 PolarHBondContact O-N 2.8Å; Y26-F30 HydrophobicContact CD2-CB 4.16Å; Y26-F30 AromaticContact CD2-CD1 3.73Å; Y26-F30 HydrophobicContact CD2-CD1 3.73Å; Y26-F30 HydrophobicContact CD2-CG 4.43Å; Y26-F30 AromaticContact CE2-CD1 3.93Å; Y26-F30 HydrophobicContact CE2-CD1 3.93Å; Y26-F30 CarbonylContact O-C 3.58Å; Y26-F30 PolarHBondContact O-N 2.93Å; Y26-F30 VanDerWaalsContact O-N 3.15Å; Y26-S31 WeakPolarHBondContact O-CB 3.37Å; Y26-S31 PolarHBondContact O-N 2.83Å; Y26-D35 WeakPolarHBondContact CE2-OD2 3.39Å; Y26-D35 VanDerWaalsContact OH-CB 3.27Å; Y26-D35 WeakPolarHBondContact OH-CB 3.38Å; Y26-D35 PolarHBondContact OH-OD2 2.85Å; Y26-A37 HydrophobicContact CE1-CB 3.96Å; Y26-I93 HydrophobicContact CE1-CD1 3.8Å
27L95.3Very high94.6Very high44 Ų4458 Ų5823%0.2329%0.289CS..Iπ-helixtrans-61.3-42.6-178.4-63.1169.9000112.1V23 N24 S31 L88 I93V23-L27 HydrophobicContact CG1-CD1 3.95Å; V23-L27 HydrophobicContact CG1-CG 4.38Å; V23-L27 VanDerWaalsContact O-CG 3.28Å; V23-L27 WeakPolarHBondContact O-CG 3.1Å; V23-L27 PolarHBondContact O-N 2.9Å; N24-L27 PolarHBondContact O-N 3.3Å; L27-S31 PolarHBondContact O-OG 2.77Å; L27-L88 HydrophobicContact CD1-CD2 3.4Å; L27-L88 HydrophobicContact CD2-CD2 3.54Å; L27-L88 HydrophobicContact CG-CD2 4.06Å; L27-I93 HydrophobicContact CD2-CD1 3.46Å; L27-I93 VanDerWaalsContact CD2-CD1 3.46Å
28T94.1Very high95Very high98 Ų9852.3 Ų52.360%0.60126%0.262SS*.Iπ-helixtrans-86-36.4-173.364.70000114N24 W25 Y26N24-T28 WeakPolarHBondContact O-CG2 3.28Å; N24-T28 PolarHBondContact O-N 2.93Å; N24-T28 PolarHBondContact O-OG1 3.12Å; W25-T28 PolarHBondContact O-N 2.91Å; Y26-T28 PolarHBondContact O-N 2.8Å
29E95.6Very high95.4Very high131 Ų13150.3 Ų50.361%0.61225%0.252SS*.Iπ-helixtrans-113.3-24-168.1-50.6-49.1138.200114.7W25W25-E29 HydrophobicContact CD2-CB 4.18Å; W25-E29 HydrophobicContact CD2-CG 4.37Å; W25-E29 HydrophobicContact CG-CB 4.49Å; W25-E29 HydrophobicContact CG-CG 4.19Å; W25-E29 HydrophobicContact CZ2-CB 4.1Å; W25-E29 WeakPolarHBondContact O-CB 3.43Å; W25-E29 PolarHBondContact O-N 3.15Å
30F96.7Very high95.7Very high47 Ų4750 Ų5021%0.20625%0.25CC..Iπ-helixtrans-122.9-23-166.9-170.1-99.5000114.9R7 W25 Y26 V120 L122 I152R7-F30 PolarHBondContact NH2-O 3.11Å; W25-F30 HydrophobicContact CE3-CB 4.13Å; W25-F30 HydrophobicContact CH2-CB 4.02Å; W25-F30 HydrophobicContact CH2-CD2 4.09Å; W25-F30 HydrophobicContact CH2-CG 4.35Å; W25-F30 HydrophobicContact CZ3-CB 3.53Å; W25-F30 HydrophobicContact CZ3-CD2 4.1Å; W25-F30 AromaticContact CZ3-CG 3.93Å; W25-F30 HydrophobicContact CZ3-CG 3.93Å; Y26-F30 HydrophobicContact CD2-CB 4.16Å; Y26-F30 AromaticContact CD2-CD1 3.73Å; Y26-F30 HydrophobicContact CD2-CD1 3.73Å; Y26-F30 HydrophobicContact CD2-CG 4.43Å; Y26-F30 AromaticContact CE2-CD1 3.93Å; Y26-F30 HydrophobicContact CE2-CD1 3.93Å; Y26-F30 CarbonylContact O-C 3.58Å; Y26-F30 PolarHBondContact O-N 2.93Å; Y26-F30 VanDerWaalsContact O-N 3.15Å; F30-V120 HydrophobicContact CE1-CG1 4.06Å; F30-V120 HydrophobicContact CE1-CG2 4.45Å; F30-V120 HydrophobicContact CZ-CG1 4.38Å; F30-V120 HydrophobicContact CZ-CG2 4.3Å; F30-L122 HydrophobicContact CD1-CD1 4.42Å; F30-I152 HydrophobicContact CD2-CD1 4.31Å; F30-I152 HydrophobicContact CE1-CD1 4.25Å; F30-I152 HydrophobicContact CE2-CD1 3.64Å; F30-I152 HydrophobicContact CZ-CD1 3.59Å
31S95.7Very high95.8Very high43 Ų4347.7 Ų47.730%0.30124%0.24SC..  trans-60.7148.3-176.8700000111.8Y26 L27 D35Y26-S31 WeakPolarHBondContact O-CB 3.37Å; Y26-S31 PolarHBondContact O-N 2.83Å; L27-S31 PolarHBondContact O-OG 2.77Å; S31-D35 WeakPolarHBondContact CA-OD2 3.43Å
32R94.2Very high95.9Very high133 Ų13346.4 Ų46.450%0.50224%0.237SC..  trans-128.3154.3174.2-61.4176-177.2177.6-0.1110.4D34 D35R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 PolarHBondContact O-N 2.81Å; R32-D34 VanDerWaalsContact O-N 3.15Å; R32-D35 PolarHBondContact N-OD2 2.89Å; R32-D35 WeakPolarHBondContact O-CB 3.31Å; R32-D35 PolarHBondContact O-N 3.26Å; R32-D35 VanDerWaalsContact O-N 3.08Å
33P92.2Very high95.8Very high131 Ų13146.4 Ų46.485%0.85124%0.237SC*.THydrogen-bonded Turntrans-59.4-24.1178.1-25.135.2000114.6
34D93.2Very high95.3Very high57 Ų5750.4 Ų50.431%0.30526%0.255SS..THydrogen-bonded Turntrans-95.812.2179.563.1-41.1000113.5M6 R7 R32M6-D34 CarbonylContact C-O 3.56Å; M6-D34 VanDerWaalsContact CA-O 3.28Å; M6-D34 WeakPolarHBondContact CA-O 3.28Å; M6-D34 WeakPolarHBondContact CG-O 3.49Å; R7-D34 PolarHBondContact N-O 3Å; R32-D34 WeakPolarHBondContact CB-OD1 3.36Å; R32-D34 PolarHBondContact O-N 2.81Å; R32-D34 VanDerWaalsContact O-N 3.15Å
35D96.5Very high94.3Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-76.9141.4176.5-76-7.6000112.8R7 V9 Y26 S31 R32 I93R7-D35 IonicContact CZ-OD1 3.9Å; R7-D35 IonicContact CZ-OD2 2.88Å; R7-D35 IonicContact NE-OD1 2.85Å; R7-D35 PolarHBondContact NE-OD1 3.13Å; R7-D35 IonicContact NE-OD2 3.5Å; R7-D35 IonicContact NH2-OD1 3.85Å; R7-D35 PolarHBondContact NH2-OD1 3.22Å; R7-D35 IonicContact NH2-OD2 2.76Å; R7-D35 PolarHBondContact NH2-OD2 3.24Å; R7-D35 CarbonylContact O-C 3.56Å; R7-D35 WeakPolarHBondContact O-CA 3.49Å; V9-D35 HydrophobicContact CG2-CB 4.44Å; Y26-D35 WeakPolarHBondContact CE2-OD2 3.39Å; Y26-D35 VanDerWaalsContact OH-CB 3.27Å; Y26-D35 WeakPolarHBondContact OH-CB 3.38Å; Y26-D35 PolarHBondContact OH-OD2 2.85Å; S31-D35 WeakPolarHBondContact CA-OD2 3.43Å; R32-D35 PolarHBondContact N-OD2 2.89Å; R32-D35 WeakPolarHBondContact O-CB 3.31Å; R32-D35 PolarHBondContact O-N 3.26Å; R32-D35 VanDerWaalsContact O-N 3.08Å; D35-I93 HydrophobicContact CB-CG2 4.3Å
36F97.1Very high92.9Very high39 Ų3947.4 Ų47.417%0.17124%0.242CC..EExtended strand (participates in β ladder)trans-115.4112.7157.6-166-70.6000109.4M6 R7 R8 V9 Y38 Q94 E96M6-F36 HydrophobicContact CE-CB 3.88Å; M6-F36 HydrophobicContact CE-CD2 4.2Å; M6-F36 HydrophobicContact CE-CG 4.18Å; M6-F36 HydrophobicContact CG-CB 3.71Å; M6-F36 HydrophobicContact SD-CB 3.54Å; M6-F36 VanDerWaalsContact SD-CB 3.54Å; M6-F36 HydrophobicContact SD-CD2 3.75Å; M6-F36 HydrophobicContact SD-CG 4.01Å; R7-F36 PolarHBondContact O-N 2.78Å; R8-F36 WeakPolarHBondContact CA-O 3.05Å; V9-F36 PolarHBondContact N-O 2.91Å; F36-Y38 HydrophobicContact CD1-CD1 4.47Å; F36-Y38 HydrophobicContact CD1-CD2 4.25Å; F36-Y38 HydrophobicContact CD1-CE1 4Å; F36-Y38 AromaticContact CD1-CE2 3.76Å; F36-Y38 HydrophobicContact CD1-CE2 3.76Å; F36-Y38 AromaticContact CD1-CZ 3.61Å; F36-Y38 HydrophobicContact CE1-CD1 4.09Å; F36-Y38 AromaticContact CE1-CE1 3.56Å; F36-Y38 HydrophobicContact CE1-CE1 3.56Å; F36-Y38 HydrophobicContact CE1-CE2 4.2Å; F36-Y38 AromaticContact CE1-CZ 3.6Å; F36-Q94 CarbonylContact C-O 3.57Å; F36-Q94 WeakPolarHBondContact CA-O 3.2Å; F36-Q94 HydrophobicContact CD2-CB 3.79Å; F36-Q94 HydrophobicContact CE2-CB 4.26Å; F36-Q94 HydrophobicContact CG-CB 4.41Å; F36-E96 HydrophobicContact CE1-CB 3.74Å; F36-E96 HydrophobicContact CZ-CB 4.01Å
37A98.1Very high91.1Very high0 Ų053.1 Ų53.10%027%0.265CS..EExtended strand (participates in β ladder)trans-98119.2-174.800000112.3V9 L11 Y26 F39 I93 Q94 M95 E96V9-A37 CarbonylContact O-C 3.55Å; V9-A37 WeakPolarHBondContact O-CA 3.13Å; L11-A37 HydrophobicContact CD1-CB 4.1Å; Y26-A37 HydrophobicContact CE1-CB 3.96Å; A37-F39 HydrophobicContact CB-CD2 4.3Å; A37-F39 HydrophobicContact CB-CE2 3.69Å; A37-F39 HydrophobicContact CB-CZ 4.22Å; A37-I93 HydrophobicContact CB-CG2 3.92Å; A37-Q94 PolarHBondContact N-O 3Å; A37-M95 HydrophobicContact CB-CB 4.28Å; A37-M95 CarbonylContact O-C 3.53Å; A37-M95 WeakPolarHBondContact O-CA 3.2Å; A37-M95 WeakPolarHBondContact O-CB 3.44Å; A37-E96 PolarHBondContact O-N 3.41Å
38Y98.5Very high88.9Confident6 Ų655.4 Ų55.42%0.02428%0.284CS..EExtended strand (participates in β ladder)trans-90.4113.2169-63.7-79.5000109.6R8 V9 L11 F36 E96 V98 R116 V118R8-Y38 HydrophobicContact CB-CE2 4.1Å; R8-Y38 HydrophobicContact CG-CE2 4.21Å; R8-Y38 PolarHBondContact NH1-OH 3.34Å; V9-Y38 PolarHBondContact O-N 3.35Å; L11-Y38 PolarHBondContact N-O 3.49Å; F36-Y38 HydrophobicContact CD1-CD1 4.47Å; F36-Y38 HydrophobicContact CD1-CD2 4.25Å; F36-Y38 HydrophobicContact CD1-CE1 4Å; F36-Y38 AromaticContact CD1-CE2 3.76Å; F36-Y38 HydrophobicContact CD1-CE2 3.76Å; F36-Y38 AromaticContact CD1-CZ 3.61Å; F36-Y38 HydrophobicContact CE1-CD1 4.09Å; F36-Y38 AromaticContact CE1-CE1 3.56Å; F36-Y38 HydrophobicContact CE1-CE1 3.56Å; F36-Y38 HydrophobicContact CE1-CE2 4.2Å; F36-Y38 AromaticContact CE1-CZ 3.6Å; Y38-E96 WeakPolarHBondContact CA-O 3.42Å; Y38-E96 HydrophobicContact CD1-CB 4.04Å; Y38-E96 HydrophobicContact CE1-CB 4.23Å; Y38-E96 VanDerWaalsContact CE1-OE2 3.31Å; Y38-E96 WeakPolarHBondContact CE1-OE2 3.39Å; Y38-V98 HydrophobicContact CD1-CG2 4.44Å; Y38-R116 HydrophobicContact CE1-CB 4.45Å; Y38-R116 HydrophobicContact CE1-CG 4.19Å; Y38-R116 HydrophobicContact CE2-CB 4.06Å; Y38-V118 HydrophobicContact CD2-CG2 4.17Å
39F98.2Very high86.5Confident1 Ų160.3 Ų60.30%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-94.8104.2171-66.6-91.6000108.8L11 I13 V23 A37 L84 L88 M95 E96 Y97 V98L11-F39 HydrophobicContact CB-CD1 3.9Å; L11-F39 HydrophobicContact CB-CE1 4.16Å; L11-F39 HydrophobicContact CD1-CD1 4.46Å; L11-F39 HydrophobicContact CD1-CE1 4.13Å; L11-F39 HydrophobicContact CD1-CZ 4.29Å; L11-F39 HydrophobicContact CD2-CE1 3.94Å; L11-F39 HydrophobicContact CG-CE1 4.32Å; L11-F39 CarbonylContact O-C 3.6Å; L11-F39 WeakPolarHBondContact O-CA 3.32Å; I13-F39 HydrophobicContact CD1-CB 3.93Å; I13-F39 HydrophobicContact CG1-CB 4.47Å; I13-F39 HydrophobicContact CG2-CD1 4.1Å; V23-F39 HydrophobicContact CB-CE1 4.37Å; V23-F39 HydrophobicContact CG1-CE1 3.81Å; V23-F39 HydrophobicContact CG1-CZ 4.42Å; V23-F39 HydrophobicContact CG2-CD1 4.13Å; V23-F39 HydrophobicContact CG2-CE1 3.78Å; A37-F39 HydrophobicContact CB-CD2 4.3Å; A37-F39 HydrophobicContact CB-CE2 3.69Å; A37-F39 HydrophobicContact CB-CZ 4.22Å; F39-L84 HydrophobicContact CB-CD2 3.36Å; F39-L84 HydrophobicContact CD1-CD1 3.98Å; F39-L84 HydrophobicContact CD1-CD2 3.76Å; F39-L84 HydrophobicContact CD1-CG 4.48Å; F39-L84 HydrophobicContact CD2-CD2 3.72Å; F39-L84 HydrophobicContact CE1-CD1 4.03Å; F39-L84 HydrophobicContact CE1-CD2 4.44Å; F39-L84 HydrophobicContact CE2-CD2 4.41Å; F39-L84 HydrophobicContact CG-CD1 4.39Å; F39-L84 HydrophobicContact CG-CD2 3.34Å; F39-L84 HydrophobicContact CG-CG 4.4Å; F39-L84 HydrophobicContact CZ-CD1 4.47Å; F39-L88 HydrophobicContact CD2-CD1 4.29Å; F39-L88 HydrophobicContact CE1-CD1 4.36Å; F39-L88 HydrophobicContact CE2-CD1 3.49Å; F39-L88 VanDerWaalsContact CE2-CD1 3.49Å; F39-L88 HydrophobicContact CZ-CD1 3.54Å; F39-M95 HydrophobicContact CD2-CB 4.06Å; F39-M95 HydrophobicContact CE2-CB 3.84Å; F39-M95 HydrophobicContact CE2-CG 4.43Å; F39-E96 PolarHBondContact N-O 3.14Å; F39-Y97 HydrophobicContact CB-CD2 4.26Å; F39-Y97 WeakPolarHBondContact O-CA 3.49Å; F39-Y97 WeakPolarHBondContact O-CD2 3.3Å; F39-V98 PolarHBondContact O-N 3.35Å
40F98.3Very high84Confident2 Ų257.4 Ų57.41%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-104.6116.9-169-174.9-106.1000111.6L10 L11 P12 I13 V42 V98 Q100 L108 I109 V112L10-F40 HydrophobicContact CD1-CB 3.61Å; L10-F40 HydrophobicContact CD1-CG 4.4Å; L11-F40 PolarHBondContact O-N 3.32Å; P12-F40 CarbonylContact C-O 3.5Å; P12-F40 VanDerWaalsContact CA-O 3.27Å; P12-F40 WeakPolarHBondContact CA-O 3.39Å; I13-F40 PolarHBondContact N-O 2.77Å; F40-V42 HydrophobicContact CD1-CG2 3.96Å; F40-V42 HydrophobicContact CE1-CG2 3.35Å; F40-V42 HydrophobicContact CZ-CG2 4.08Å; F40-V98 CarbonylContact C-O 3.58Å; F40-V98 WeakPolarHBondContact CA-O 3.46Å; F40-V98 HydrophobicContact CD2-CB 3.88Å; F40-V98 HydrophobicContact CD2-CG1 3.7Å; F40-V98 HydrophobicContact CE2-CG1 3.86Å; F40-Q100 HydrophobicContact CE2-CB 3.94Å; F40-Q100 HydrophobicContact CZ-CB 3.84Å; F40-L108 HydrophobicContact CE1-CB 4.02Å; F40-L108 HydrophobicContact CZ-CB 4.12Å; F40-I109 HydrophobicContact CD1-CG1 3.8Å; F40-I109 HydrophobicContact CE1-CG1 3.97Å; F40-V112 HydrophobicContact CD1-CG1 4.06Å; F40-V112 HydrophobicContact CD2-CB 4.35Å; F40-V112 HydrophobicContact CD2-CG1 3.99Å; F40-V112 HydrophobicContact CD2-CG2 4.08Å; F40-V112 HydrophobicContact CE1-CG1 4.1Å; F40-V112 HydrophobicContact CE2-CB 4.08Å; F40-V112 HydrophobicContact CE2-CG1 4.08Å; F40-V112 HydrophobicContact CE2-CG2 4.03Å; F40-V112 HydrophobicContact CG-CG1 3.99Å; F40-V112 HydrophobicContact CZ-CB 4.27Å; F40-V112 HydrophobicContact CZ-CG1 4.12Å
41H97.1Very high81.3Confident21 Ų2160.5 Ų60.510%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-109.8125.7178.6-176.253.4000111.2I13 L80 Y97 V98 M99 Q100I13-H41 HydrophobicContact CG1-CB 4.19Å; I13-H41 WeakPolarHBondContact O-CA 3.28Å; I13-H41 PolarHBondContact O-ND1 2.86Å; H41-L80 HydrophobicContact CB-CD2 4.48Å; H41-Y97 HydrophobicContact CB-CE2 3.79Å; H41-Y97 VanDerWaalsContact CB-OH 3.26Å; H41-Y97 WeakPolarHBondContact CB-OH 3.34Å; H41-Y97 PolarHBondContact CD2-OH 3.09Å; H41-V98 PolarHBondContact N-O 2.77Å; H41-M99 WeakPolarHBondContact O-CA 3.44Å; H41-Q100 PolarHBondContact O-N 3.39Å
42V95Very high78.9Confident19 Ų1963.4 Ų63.412%0.11534%0.341CS..EExtended strand (participates in β ladder)trans-97.4117.9172.4-179.90000109.1F40 E44 Q100 P105 L108F40-V42 HydrophobicContact CD1-CG2 3.96Å; F40-V42 HydrophobicContact CE1-CG2 3.35Å; F40-V42 HydrophobicContact CZ-CG2 4.08Å; V42-E44 HydrophobicContact CG1-CG 4.24Å; V42-E44 PolarHBondContact O-N 3.43Å; V42-Q100 CarbonylContact C-O 3.58Å; V42-Q100 VanDerWaalsContact CA-O 3.32Å; V42-Q100 WeakPolarHBondContact CA-O 3.45Å; V42-P105 HydrophobicContact CB-CB 4.05Å; V42-P105 HydrophobicContact CG1-CB 4.07Å; V42-P105 HydrophobicContact CG2-CB 4.09Å; V42-L108 HydrophobicContact CG1-CD1 3.79Å; V42-L108 HydrophobicContact CG2-CB 4.23Å; V42-L108 HydrophobicContact CG2-CD1 4.1Å
43V91.8Very high76.5Confident3 Ų363.4 Ų63.42%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-86.199.5173.5178.90000108.3A45 M99 Q100 I101 G102V43-A45 PolarHBondContact O-N 2.77Å; V43-A45 VanDerWaalsContact O-N 3.13Å; V43-M99 HydrophobicContact CG2-CG 3.5Å; V43-M99 VanDerWaalsContact CG2-CG 3.5Å; V43-M99 HydrophobicContact CG2-SD 3.51Å; V43-M99 VanDerWaalsContact CG2-SD 3.51Å; V43-Q100 PolarHBondContact N-O 3.45Å; V43-I101 HydrophobicContact CB-CG1 4.13Å; V43-I101 HydrophobicContact CG1-CG1 4.38Å; V43-I101 WeakPolarHBondContact O-CA 3.46Å; V43-G102 PolarHBondContact O-N 2.58Å; V43-G102 VanDerWaalsContact O-N 3.09Å
44E85.4Confident73.9Confident95 Ų9565.7 Ų65.744%0.44435%0.35SS..  trans-78.691.9171.2-65.2-17089.500109.4V42 H46 G102V42-E44 HydrophobicContact CG1-CG 4.24Å; V42-E44 PolarHBondContact O-N 3.43Å; E44-H46 PolarHBondContact O-N 2.93Å; E44-G102 WeakPolarHBondContact CA-O 3.32Å
45A75.5Confident71.6Confident4 Ų467.8 Ų67.83%0.03337%0.369CS..  trans-66.6109.7164.600000107.8V43 Y47 I70V43-A45 PolarHBondContact O-N 2.77Å; V43-A45 VanDerWaalsContact O-N 3.13Å; A45-Y47 VanDerWaalsContact C-N 3.26Å; A45-Y47 VanDerWaalsContact O-CD2 3.24Å; A45-Y47 WeakPolarHBondContact O-CD2 3.39Å; A45-Y47 PolarHBondContact O-N 3.45Å; A45-I70 HydrophobicContact CB-CB 4.4Å; A45-I70 HydrophobicContact CB-CD1 4.47Å; A45-I70 HydrophobicContact CB-CG1 3.45Å; A45-I70 VanDerWaalsContact CB-CG1 3.45Å
46H65.8Low69.4Low121 Ų12179.4 Ų79.456%0.5642%0.415SS*.  trans-61.293.7170.3-70.2-87000108.3E44 S48 Y73E44-H46 PolarHBondContact O-N 2.93Å; H46-S48 PolarHBondContact O-N 3.44Å; H46-Y73 AromaticContact CD2-CZ 3.88Å
47Y59.7Low67.3Low121 Ų12184.8 Ų84.848%0.47545%0.445SS..  trans-57109.6156.9-59.2-88.3000104.2A45 K49 L66A45-Y47 VanDerWaalsContact C-N 3.26Å; A45-Y47 VanDerWaalsContact O-CD2 3.24Å; A45-Y47 WeakPolarHBondContact O-CD2 3.39Å; A45-Y47 PolarHBondContact O-N 3.45Å; Y47-K49 PolarHBondContact O-N 2.83Å; Y47-L66 HydrophobicContact CD1-CD1 3.78Å; Y47-L66 HydrophobicContact CD1-CD2 4.14Å; Y47-L66 HydrophobicContact CE1-CD1 4.22Å; Y47-L66 HydrophobicContact CE1-CD2 4.22Å; Y47-L66 HydrophobicContact CG-CD1 4.43Å
48S47.7Very low64.9Low92 Ų9290.3 Ų90.364%0.64347%0.471SS*.  trans-51105.8159.6170.90000104.8H46 S50H46-S48 PolarHBondContact O-N 3.44Å; S48-S50 PolarHBondContact O-N 3.43Å; S48-S50 PolarHBondContact OG-N 2.98Å
49K44.8Very low62.6Low200 Ų20091.6 Ų91.687%0.8749%0.486SS*.  trans-69.367.8160.5-71.7-177.7-179.7178.20104.9Y47 T51Y47-K49 PolarHBondContact O-N 2.83Å; K49-T51 VanDerWaalsContact C-N 3.32Å; K49-T51 PolarHBondContact O-N 3.23Å
50S43Very low60.5Low70 Ų70100.1 Ų100.149%0.4952%0.523SS..  trans-57.6111.7156.4179.50000103.6S48 A52S48-S50 PolarHBondContact O-N 3.43Å; S48-S50 PolarHBondContact OG-N 2.98Å; S50-A52 PolarHBondContact O-N 3.48Å
51T40.1Very low58.5Low113 Ų113105.7 Ų105.769%0.69355%0.549SS*.  trans-29.7121.9166.541.10000109.4K49 N53K49-T51 VanDerWaalsContact C-N 3.32Å; K49-T51 PolarHBondContact O-N 3.23Å; T51-N53 PolarHBondContact O-N 2.97Å
52A45.1Very low56.7Low103 Ų103108.5 Ų108.585%0.85156%0.564SS**SBendtrans-64.523-176.100000114.8S50S50-A52 PolarHBondContact O-N 3.48Å
53N43.6Very low55.3Low133 Ų133112.3 Ų112.371%0.71158%0.584SS**  trans-125.895.8172.7-67-11.8000107.2T51T51-N53 PolarHBondContact O-N 2.97Å
54E37.4Very low54.5Low180 Ų180115.2 Ų115.284%0.84160%0.602SS**SBendtrans164.6110.7134-85.6165.1-15600111.5
55S45.6Very low54Low100 Ų100114.1 Ų114.170%0.69960%0.599SS**  trans72.6119.8145.9-53.80000120.7D57S55-D57 PolarHBondContact O-N 3.44Å
56Y49.8Very low53.9Low245 Ų245116 Ų11696%0.96161%0.608SS**THydrogen-bonded Turntrans-59.9-5.9-174.3-96.7-101000117.3
57D52.3Low54.6Low151 Ų151115.1 Ų115.181%0.80761%0.608SS**THydrogen-bonded Turntrans-95.1-12.3-175-154.718.5000114S55S55-D57 PolarHBondContact O-N 3.44Å
58H48.8Very low55.8Low116 Ų116115.6 Ų115.654%0.53761%0.612SS.*SBendtrans-86.9-3.3176.7-86.339.3000114.4K60 E61 L62H58-K60 PolarHBondContact O-N 3.15Å; H58-E61 PolarHBondContact O-N 2.92Å; H58-L62 HydrophobicContact CB-CD1 4.05Å; H58-L62 HydrophobicContact CB-CG 4.33Å; H58-L62 VanDerWaalsContact O-CB 3.31Å; H58-L62 WeakPolarHBondContact O-CB 3.27Å; H58-L62 VanDerWaalsContact O-CG 3.23Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 3.36Å
59G50.5Low57.5Low33 Ų33114.2 Ų114.234%0.3460%0.598SS.*Hα-helixtrans-62.1-38.6-17300000114.6N63G59-N63 WeakPolarHBondContact O-CB 3.41Å; G59-N63 PolarHBondContact O-N 3.11Å; G59-N63 PolarHBondContact O-ND2 3.46Å
60K53.3Low59.5Low181 Ų181106.5 Ų106.579%0.78757%0.565SS**Hα-helixtrans-67.9-44.9177.9-78.9-175.9179.6175.30111.8H58 N63 T64H58-K60 PolarHBondContact O-N 3.15Å; K60-N63 PolarHBondContact O-N 3.45Å; K60-T64 WeakPolarHBondContact O-CG2 3.36Å; K60-T64 PolarHBondContact O-N 2.94Å
61E56.6Low61.7Low119 Ų119109.9 Ų109.956%0.55657%0.571SS**Hα-helixtrans-70.6-40.1-178.2-161169.5-168.800111.4H58 N63 T64 N65H58-E61 PolarHBondContact O-N 2.92Å; E61-N63 PolarHBondContact O-N 3.13Å; E61-T64 PolarHBondContact O-N 3.44Å; E61-T64 PolarHBondContact O-OG1 2.9Å; E61-N65 PolarHBondContact O-N 2.88Å; E61-N65 PolarHBondContact O-ND2 3.08Å
62L58Low64.1Low79 Ų79108.9 Ų108.941%0.41456%0.56SS.*Hα-helixtrans-58.5-45.5171.6-73.7171.1000112.2H58 N65 L66H58-L62 HydrophobicContact CB-CD1 4.05Å; H58-L62 HydrophobicContact CB-CG 4.33Å; H58-L62 VanDerWaalsContact O-CB 3.31Å; H58-L62 WeakPolarHBondContact O-CB 3.27Å; H58-L62 VanDerWaalsContact O-CG 3.23Å; H58-L62 WeakPolarHBondContact O-CG 3.38Å; H58-L62 PolarHBondContact O-N 3.36Å; L62-N65 PolarHBondContact O-N 3.25Å; L62-L66 VanDerWaalsContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CB 2.97Å; L62-L66 PolarHBondContact O-N 3.48Å
63N66.9Low66.3Low99 Ų99107.6 Ų107.653%0.52953%0.533SS..Hα-helixtrans-60.7-45.9175.4-73.4-17.6000111.1G59 K60 E61 N65 L66 D67G59-N63 WeakPolarHBondContact O-CB 3.41Å; G59-N63 PolarHBondContact O-N 3.11Å; G59-N63 PolarHBondContact O-ND2 3.46Å; K60-N63 PolarHBondContact O-N 3.45Å; E61-N63 PolarHBondContact O-N 3.13Å; N63-N65 VanDerWaalsContact C-N 3.34Å; N63-N65 PolarHBondContact O-N 2.93Å; N63-L66 WeakPolarHBondContact O-CB 3.15Å; N63-L66 PolarHBondContact O-N 3.26Å; N63-D67 WeakPolarHBondContact O-CB 3.43Å; N63-D67 PolarHBondContact O-N 2.92Å
64T74.4Confident68.6Low65 Ų65102 Ų10240%0.39951%0.505SS..Hα-helixtrans-63.9-37.7178.963.50000113.1K60 E61 K68K60-T64 WeakPolarHBondContact O-CG2 3.36Å; K60-T64 PolarHBondContact O-N 2.94Å; E61-T64 PolarHBondContact O-N 3.44Å; E61-T64 PolarHBondContact O-OG1 2.9Å; T64-K68 WeakPolarHBondContact O-CB 3.42Å; T64-K68 WeakPolarHBondContact O-CG 3.4Å; T64-K68 PolarHBondContact O-N 3.32Å
65N76.2Confident71.4Confident71 Ų7197.1 Ų97.138%0.3848%0.482SS..Hα-helixtrans-70.9-36.7177.4-73.6-31000111.4E61 L62 N63 K68 N69E61-N65 PolarHBondContact O-N 2.88Å; E61-N65 PolarHBondContact O-ND2 3.08Å; L62-N65 PolarHBondContact O-N 3.25Å; N63-N65 VanDerWaalsContact C-N 3.34Å; N63-N65 PolarHBondContact O-N 2.93Å; N65-K68 PolarHBondContact O-N 2.82Å; N65-N69 WeakPolarHBondContact O-CB 3.43Å; N65-N69 VanDerWaalsContact O-CG 3.26Å; N65-N69 PolarHBondContact O-N 3.43Å; N65-N69 PolarHBondContact O-ND2 3.28Å
66L71.9Confident73.6Confident44 Ų4496.7 Ų96.723%0.2347%0.471CS..Hα-helixtrans-63.7-48.3173.5-175.765.6000111.2Y47 L62 N63 K68 N69 I70Y47-L66 HydrophobicContact CD1-CD1 3.78Å; Y47-L66 HydrophobicContact CD1-CD2 4.14Å; Y47-L66 HydrophobicContact CE1-CD1 4.22Å; Y47-L66 HydrophobicContact CE1-CD2 4.22Å; Y47-L66 HydrophobicContact CG-CD1 4.43Å; L62-L66 VanDerWaalsContact O-CB 3.31Å; L62-L66 WeakPolarHBondContact O-CB 2.97Å; L62-L66 PolarHBondContact O-N 3.48Å; N63-L66 WeakPolarHBondContact O-CB 3.15Å; N63-L66 PolarHBondContact O-N 3.26Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.17Å; L66-N69 PolarHBondContact O-N 2.95Å; L66-N69 VanDerWaalsContact O-N 3.15Å; L66-I70 HydrophobicContact CD1-CD1 4.25Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.47Å
67D81.6Confident75.8Confident102 Ų10285 Ų8555%0.54543%0.426SS..Hα-helixtrans-59.3-42177-69.1-24.3000111.2N63 K71N63-D67 WeakPolarHBondContact O-CB 3.43Å; N63-D67 PolarHBondContact O-N 2.92Å; D67-K71 VanDerWaalsContact O-CB 3.22Å; D67-K71 WeakPolarHBondContact O-CB 3.4Å; D67-K71 PolarHBondContact O-N 2.98Å
68K83.3Confident77.9Confident131 Ų13182.2 Ų82.257%0.5741%0.406SS*.Hα-helixtrans-62.2-44.9174.7-75.8170.6-173.7172.60112T64 N65 L66 K71 M72T64-K68 WeakPolarHBondContact O-CB 3.42Å; T64-K68 WeakPolarHBondContact O-CG 3.4Å; T64-K68 PolarHBondContact O-N 3.32Å; N65-K68 PolarHBondContact O-N 2.82Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 3.17Å; K68-K71 PolarHBondContact O-N 3.39Å; K68-M72 WeakPolarHBondContact O-CB 3.28Å; K68-M72 PolarHBondContact O-N 3.07Å
69N84.5Confident80.2Confident63 Ų6381.6 Ų81.634%0.33741%0.406SS..Hα-helixtrans-64.8-48.8178.6-75.3-18.7000111.2N65 L66 K71 M72 Y73N65-N69 WeakPolarHBondContact O-CB 3.43Å; N65-N69 VanDerWaalsContact O-CG 3.26Å; N65-N69 PolarHBondContact O-N 3.43Å; N65-N69 PolarHBondContact O-ND2 3.28Å; L66-N69 PolarHBondContact O-N 2.95Å; L66-N69 VanDerWaalsContact O-N 3.15Å; N69-K71 VanDerWaalsContact C-N 3.29Å; N69-K71 PolarHBondContact O-N 3.48Å; N69-M72 PolarHBondContact O-N 3.36Å; N69-Y73 WeakPolarHBondContact O-CD2 3.48Å; N69-Y73 PolarHBondContact O-N 2.85Å
70I86.5Confident82.3Confident38 Ų3881.6 Ų81.620%0.19540%0.398CS..Hα-helixtrans-55.7-47.9176-69.5165.8000110A45 L66 Y73 S74 I101A45-I70 HydrophobicContact CB-CB 4.4Å; A45-I70 HydrophobicContact CB-CD1 4.47Å; A45-I70 HydrophobicContact CB-CG1 3.45Å; A45-I70 VanDerWaalsContact CB-CG1 3.45Å; L66-I70 HydrophobicContact CD1-CD1 4.25Å; L66-I70 HydrophobicContact CG-CD1 3.88Å; L66-I70 WeakPolarHBondContact O-CG1 3.4Å; L66-I70 PolarHBondContact O-N 3.47Å; I70-Y73 PolarHBondContact O-N 2.88Å; I70-S74 VanDerWaalsContact O-CB 3.26Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.19Å; I70-S74 PolarHBondContact O-OG 3.41Å; I70-I101 HydrophobicContact CG2-CD1 3.95Å
71K88.9Confident84.4Confident142 Ų14273.1 Ų73.162%0.61736%0.361SS*.Hα-helixtrans-59.5-50.5178.3-174.6176.4-179179.60111D67 K68 N69 Y73 S74 E75D67-K71 VanDerWaalsContact O-CB 3.22Å; D67-K71 WeakPolarHBondContact O-CB 3.4Å; D67-K71 PolarHBondContact O-N 2.98Å; K68-K71 PolarHBondContact O-N 3.39Å; N69-K71 VanDerWaalsContact C-N 3.29Å; N69-K71 PolarHBondContact O-N 3.48Å; K71-Y73 PolarHBondContact O-N 3.36Å; K71-S74 PolarHBondContact O-N 2.96Å; K71-E75 WeakPolarHBondContact O-CG 3.46Å; K71-E75 PolarHBondContact O-N 3.3Å
72M90.8Very high86.3Confident91 Ų9172.2 Ų72.245%0.44836%0.361SS..Hα-helixtrans-57.2-50.6179.5-178.5-173.669.400112.1K68 N69 S74 E75 L76K68-M72 WeakPolarHBondContact O-CB 3.28Å; K68-M72 PolarHBondContact O-N 3.07Å; N69-M72 PolarHBondContact O-N 3.36Å; M72-S74 VanDerWaalsContact C-N 3.31Å; M72-S74 PolarHBondContact O-N 2.82Å; M72-E75 PolarHBondContact O-N 2.91Å; M72-L76 WeakPolarHBondContact O-CG 3.37Å; M72-L76 PolarHBondContact O-N 2.87Å
73Y90.6Very high88.1Confident76 Ų7673.3 Ų73.330%0.29836%0.362SS..Hα-helixtrans-67.9-31.9179.8-74.8-71.4000112.7H46 N69 I70 K71 L76 G77H46-Y73 AromaticContact CD2-CZ 3.88Å; N69-Y73 WeakPolarHBondContact O-CD2 3.48Å; N69-Y73 PolarHBondContact O-N 2.85Å; I70-Y73 PolarHBondContact O-N 2.88Å; K71-Y73 PolarHBondContact O-N 3.36Å; Y73-L76 HydrophobicContact CD1-CD1 4.16Å; Y73-L76 PolarHBondContact O-N 3.31Å; Y73-G77 PolarHBondContact O-N 2.92Å
74S93.1Very high89.4Confident15 Ų1569.2 Ų69.211%0.10534%0.34CS..Hα-helixtrans-66.7-38.5172.6-580000111.7I70 K71 M72 G77 K78I70-S74 VanDerWaalsContact O-CB 3.26Å; I70-S74 WeakPolarHBondContact O-CB 3.3Å; I70-S74 PolarHBondContact O-N 3.19Å; I70-S74 PolarHBondContact O-OG 3.41Å; K71-S74 PolarHBondContact O-N 2.96Å; M72-S74 VanDerWaalsContact C-N 3.31Å; M72-S74 PolarHBondContact O-N 2.82Å; S74-G77 PolarHBondContact O-N 2.89Å; S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.84Å
75E94.8Very high90.4Very high79 Ų7969.8 Ų69.837%0.36934%0.338SS..Hα-helixtrans-65.9-40.2173.2-65.8-49.8137.600111.6K71 M72 G77 K78 I79K71-E75 WeakPolarHBondContact O-CG 3.46Å; K71-E75 PolarHBondContact O-N 3.3Å; M72-E75 PolarHBondContact O-N 2.91Å; E75-G77 VanDerWaalsContact C-N 3.3Å; E75-G77 PolarHBondContact O-N 3.45Å; E75-K78 PolarHBondContact O-N 3.39Å; E75-K78 IonicContact OE1-NZ 3.51Å; E75-K78 PolarHBondContact OE1-NZ 3Å; E75-K78 IonicContact OE2-NZ 3.72Å; E75-I79 WeakPolarHBondContact O-CG1 3.34Å; E75-I79 PolarHBondContact O-N 3.09Å
76L93.1Very high91.3Very high91 Ų9172 Ų7248%0.47635%0.35SS..Hα-helixtrans-61.3-39.3172.6-68.9177.1000112.2M72 Y73 I79 L80M72-L76 WeakPolarHBondContact O-CG 3.37Å; M72-L76 PolarHBondContact O-N 2.87Å; Y73-L76 HydrophobicContact CD1-CD1 4.16Å; Y73-L76 PolarHBondContact O-N 3.31Å; L76-I79 PolarHBondContact O-N 3.31Å; L76-L80 PolarHBondContact O-N 3.24Å
77G94.7Very high92.2Very high0 Ų075.3 Ų75.30%037%0.368CS..Hα-helixtrans-62-45.3173.400000112.2Y73 S74 E75 I79 L80 G81 Y97Y73-G77 PolarHBondContact O-N 2.92Å; S74-G77 PolarHBondContact O-N 2.89Å; E75-G77 VanDerWaalsContact C-N 3.3Å; E75-G77 PolarHBondContact O-N 3.45Å; G77-I79 PolarHBondContact O-N 2.96Å; G77-L80 WeakPolarHBondContact O-CB 3.48Å; G77-L80 PolarHBondContact O-N 3.47Å; G77-L80 VanDerWaalsContact O-N 3.14Å; G77-G81 PolarHBondContact O-N 3.18Å; G77-Y97 PolarHBondContact O-OH 3.13Å
78K96.6Very high92.7Very high91 Ų9171 Ų7140%0.39635%0.345SS..Hα-helixtrans-58.7-46174.2-69172.2-170.8169.80112.3S74 E75 L80 G81 D82 M99S74-K78 WeakPolarHBondContact O-CG 3.36Å; S74-K78 PolarHBondContact O-N 2.84Å; E75-K78 PolarHBondContact O-N 3.39Å; E75-K78 IonicContact OE1-NZ 3.51Å; E75-K78 PolarHBondContact OE1-NZ 3Å; E75-K78 IonicContact OE2-NZ 3.72Å; K78-L80 PolarHBondContact O-N 3.22Å; K78-G81 CarbonylContact O-C 3.55Å; K78-G81 WeakPolarHBondContact O-CA 3.48Å; K78-G81 PolarHBondContact O-N 3.42Å; K78-D82 PolarHBondContact O-N 3.18Å; K78-M99 HydrophobicContact CG-CE 4.23Å
79I96.8Very high93Very high104 Ų10472.7 Ų72.753%0.53335%0.352SS..Hα-helixtrans-58.6-39176.5-68.1164.8000111E75 L76 G77 K83E75-I79 WeakPolarHBondContact O-CG1 3.34Å; E75-I79 PolarHBondContact O-N 3.09Å; L76-I79 PolarHBondContact O-N 3.31Å; G77-I79 PolarHBondContact O-N 2.96Å; I79-K83 WeakPolarHBondContact O-CB 3.5Å; I79-K83 PolarHBondContact O-N 2.74Å
80L95.7Very high93.2Very high33 Ų3377.2 Ų77.217%0.17338%0.376CS..Hα-helixtrans-63-43174.2175.863.6000111.7I13 H41 L76 G77 K78 L84I13-L80 HydrophobicContact CD1-CD2 4.15Å; I13-L80 HydrophobicContact CD1-CG 4.23Å; I13-L80 HydrophobicContact CG1-CD2 4.28Å; H41-L80 HydrophobicContact CB-CD2 4.48Å; L76-L80 PolarHBondContact O-N 3.24Å; G77-L80 WeakPolarHBondContact O-CB 3.48Å; G77-L80 PolarHBondContact O-N 3.47Å; G77-L80 VanDerWaalsContact O-N 3.14Å; K78-L80 PolarHBondContact O-N 3.22Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 2.86Å
81G96.7Very high93.3Very high2 Ų277.2 Ų77.22%0.02138%0.38CS..Hα-helixtrans-62.5-47.4175.500000113G77 K78 K83 L84 H85G77-G81 PolarHBondContact O-N 3.18Å; K78-G81 CarbonylContact O-C 3.55Å; K78-G81 WeakPolarHBondContact O-CA 3.48Å; K78-G81 PolarHBondContact O-N 3.42Å; G81-K83 PolarHBondContact O-N 3.05Å; G81-L84 WeakPolarHBondContact O-CB 3.28Å; G81-L84 PolarHBondContact O-N 3.24Å; G81-H85 PolarHBondContact O-CD2 2.98Å; G81-H85 PolarHBondContact O-N 2.9Å
82D96.7Very high93.2Very high101 Ų10177.9 Ų77.954%0.5439%0.39SS..Hα-helixtrans-60.1-46.5178-68.1-22000111K78 L84 H85 D86K78-D82 PolarHBondContact O-N 3.18Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.05Å; D82-H85 WeakPolarHBondContact O-CB 3.44Å; D82-H85 PolarHBondContact O-N 2.97Å; D82-D86 PolarHBondContact O-N 3.31Å
83K95.8Very high93.2Very high101 Ų10174.7 Ų74.744%0.43938%0.375SS..Hα-helixtrans-59.9-43.1176.1-179.7176.2177.8174.70112.1I79 G81 H85 D86 D87I79-K83 WeakPolarHBondContact O-CB 3.5Å; I79-K83 PolarHBondContact O-N 2.74Å; G81-K83 PolarHBondContact O-N 3.05Å; K83-H85 VanDerWaalsContact C-N 3.32Å; K83-H85 PolarHBondContact O-N 3.2Å; K83-D86 PolarHBondContact O-N 3.27Å; K83-D87 WeakPolarHBondContact CE-OD2 3.46Å; K83-D87 WeakPolarHBondContact O-CB 3.37Å; K83-D87 VanDerWaalsContact O-CG 3.28Å; K83-D87 PolarHBondContact O-N 3.25Å
84L95.3Very high93.4Very high13 Ų1376.9 Ų76.97%0.06839%0.388CS..Hα-helixtrans-61.8-41.9177.8179.976.8000111.2I13 V23 F39 L80 G81 D82 D86 D87 L88 Y97I13-L84 HydrophobicContact CD1-CD2 3.99Å; V23-L84 HydrophobicContact CG1-CD1 4.33Å; F39-L84 HydrophobicContact CB-CD2 3.36Å; F39-L84 HydrophobicContact CD1-CD1 3.98Å; F39-L84 HydrophobicContact CD1-CD2 3.76Å; F39-L84 HydrophobicContact CD1-CG 4.48Å; F39-L84 HydrophobicContact CD2-CD2 3.72Å; F39-L84 HydrophobicContact CE1-CD1 4.03Å; F39-L84 HydrophobicContact CE1-CD2 4.44Å; F39-L84 HydrophobicContact CE2-CD2 4.41Å; F39-L84 HydrophobicContact CG-CD1 4.39Å; F39-L84 HydrophobicContact CG-CD2 3.34Å; F39-L84 HydrophobicContact CG-CG 4.4Å; F39-L84 HydrophobicContact CZ-CD1 4.47Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 PolarHBondContact O-N 2.86Å; G81-L84 WeakPolarHBondContact O-CB 3.28Å; G81-L84 PolarHBondContact O-N 3.24Å; D82-L84 VanDerWaalsContact C-N 3.32Å; D82-L84 PolarHBondContact O-N 3.05Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.81Å; L84-D87 PolarHBondContact O-N 3.46Å; L84-L88 HydrophobicContact CD1-CD1 3.79Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CD2-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD1 3.82Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 VanDerWaalsContact O-CG 3.28Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 2.85Å; L84-Y97 HydrophobicContact CD2-CD2 4.06Å
85H95Very high93.5Very high77 Ų7778.9 Ų78.936%0.35640%0.396SS..Hα-helixtrans-60.7-42.5175.2-78.9-61.8000112.2G81 D82 K83 L88 K89 M95G81-H85 PolarHBondContact O-CD2 2.98Å; G81-H85 PolarHBondContact O-N 2.9Å; D82-H85 WeakPolarHBondContact O-CB 3.44Å; D82-H85 PolarHBondContact O-N 2.97Å; K83-H85 VanDerWaalsContact C-N 3.32Å; K83-H85 PolarHBondContact O-N 3.2Å; H85-L88 PolarHBondContact O-N 3.46Å; H85-K89 PolarHBondContact O-N 3.02Å; H85-M95 WeakPolarHBondContact CE1-CE 3.27Å; H85-M95 PolarHBondContact CE1-SD 2.8Å; H85-M95 PolarHBondContact ND1-SD 2.83Å
86D94.3Very high93.6Very high118 Ų11878 Ų7863%0.63139%0.392SS*.Hα-helixtrans-64-45.9176-76.2-23.5000111.8D82 K83 L84 L88 K89D82-D86 PolarHBondContact O-N 3.31Å; K83-D86 PolarHBondContact O-N 3.27Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.81Å; D86-L88 PolarHBondContact O-N 3.02Å; D86-K89 WeakPolarHBondContact O-CB 3.27Å; D86-K89 PolarHBondContact O-N 3.48Å
87D91.1Very high93.9Very high114 Ų11475.6 Ų75.661%0.6138%0.377SS*.Hα-helixtrans-62.2-31.8178.6-71.7-18.1000111.7K83 L84K83-D87 WeakPolarHBondContact CE-OD2 3.46Å; K83-D87 WeakPolarHBondContact O-CB 3.37Å; K83-D87 VanDerWaalsContact O-CG 3.28Å; K83-D87 PolarHBondContact O-N 3.25Å; L84-D87 PolarHBondContact O-N 3.46Å
88L91.6Very high94Very high12 Ų1276.7 Ų76.76%0.06338%0.383CS..Hα-helixtrans-99.50-177.1-65.8-178.5000114.9L27 F39 L84 H85 D86 N90 S91 M95L27-L88 HydrophobicContact CD1-CD2 3.4Å; L27-L88 HydrophobicContact CD2-CD2 3.54Å; L27-L88 HydrophobicContact CG-CD2 4.06Å; F39-L88 HydrophobicContact CD2-CD1 4.29Å; F39-L88 HydrophobicContact CE1-CD1 4.36Å; F39-L88 HydrophobicContact CE2-CD1 3.49Å; F39-L88 VanDerWaalsContact CE2-CD1 3.49Å; F39-L88 HydrophobicContact CZ-CD1 3.54Å; L84-L88 HydrophobicContact CD1-CD1 3.79Å; L84-L88 HydrophobicContact CD1-CG 4.22Å; L84-L88 HydrophobicContact CD2-CD1 4.42Å; L84-L88 HydrophobicContact CG-CD1 3.82Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 VanDerWaalsContact O-CB 3.3Å; L84-L88 WeakPolarHBondContact O-CB 3.48Å; L84-L88 VanDerWaalsContact O-CG 3.28Å; L84-L88 WeakPolarHBondContact O-CG 3.36Å; L84-L88 PolarHBondContact O-N 2.85Å; H85-L88 PolarHBondContact O-N 3.46Å; D86-L88 PolarHBondContact O-N 3.02Å; L88-N90 PolarHBondContact O-N 3.2Å; L88-S91 VanDerWaalsContact O-CB 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.4Å; L88-S91 PolarHBondContact O-OG 3Å; L88-M95 HydrophobicContact CD1-CG 4.33Å
89K90.6Very high94Very high165 Ų16575.3 Ų75.372%0.71738%0.379SS*.THydrogen-bonded Turntrans-55.9-31.7-173.3-172.8175.3-178.8175.70114H85 D86H85-K89 PolarHBondContact O-N 3.02Å; D86-K89 WeakPolarHBondContact O-CB 3.27Å; D86-K89 PolarHBondContact O-N 3.48Å
90N89.2Confident93.9Very high158 Ų15874 Ų7485%0.84537%0.371SS*.THydrogen-bonded Turntrans-100.66.7178.9-60.6-36.6000113.1L88L88-N90 PolarHBondContact O-N 3.2Å
91S87.5Confident93.7Very high39 Ų3976.2 Ų76.227%0.27338%0.382SS..  trans-79148.7173.478.10000110.3L88 I93L88-S91 VanDerWaalsContact O-CB 3.3Å; L88-S91 WeakPolarHBondContact O-CB 3.22Å; L88-S91 PolarHBondContact O-N 3.4Å; L88-S91 PolarHBondContact O-OG 3Å; S91-I93 PolarHBondContact O-N 2.9Å
92N86.8Confident93.5Very high156 Ų15676.8 Ų76.883%0.83439%0.388SS*.SBendtrans-8716176.3-70-27.6000112.8
93I91Very high93.2Very high24 Ų2477 Ų7712%0.12339%0.389CS..  trans-99.8132.5-172.6-59.7172.8000109.3Y26 L27 D35 A37 S91Y26-I93 HydrophobicContact CE1-CD1 3.8Å; L27-I93 HydrophobicContact CD2-CD1 3.46Å; L27-I93 VanDerWaalsContact CD2-CD1 3.46Å; D35-I93 HydrophobicContact CB-CG2 4.3Å; A37-I93 HydrophobicContact CB-CG2 3.92Å; S91-I93 PolarHBondContact O-N 2.9Å
94Q94.5Very high93.1Very high122 Ų12277.6 Ų77.657%0.5739%0.392SS*.EExtended strand (participates in β ladder)trans-73.4134.9168.7-63-170.1-41.600109.4F36 A37F36-Q94 CarbonylContact C-O 3.57Å; F36-Q94 WeakPolarHBondContact CA-O 3.2Å; F36-Q94 HydrophobicContact CD2-CB 3.79Å; F36-Q94 HydrophobicContact CE2-CB 4.26Å; F36-Q94 HydrophobicContact CG-CB 4.41Å; A37-Q94 PolarHBondContact N-O 3Å
95M95.9Very high93.1Very high57 Ų5778 Ų7828%0.28140%0.395SS..EExtended strand (participates in β ladder)trans-142.3161.9-177.262.274.3-105.100114A37 F39 H85 L88A37-M95 HydrophobicContact CB-CB 4.28Å; A37-M95 CarbonylContact O-C 3.53Å; A37-M95 WeakPolarHBondContact O-CA 3.2Å; A37-M95 WeakPolarHBondContact O-CB 3.44Å; F39-M95 HydrophobicContact CD2-CB 4.06Å; F39-M95 HydrophobicContact CE2-CB 3.84Å; F39-M95 HydrophobicContact CE2-CG 4.43Å; H85-M95 WeakPolarHBondContact CE1-CE 3.27Å; H85-M95 PolarHBondContact CE1-SD 2.8Å; H85-M95 PolarHBondContact ND1-SD 2.83Å; L88-M95 HydrophobicContact CD1-CG 4.33Å
96E97Very high93.1Very high60 Ų6074.6 Ų74.628%0.2838%0.381SS..EExtended strand (participates in β ladder)trans-136.8123.6167.7-173.3-176.9156.800107.4F36 A37 Y38 F39 V98 R116F36-E96 HydrophobicContact CE1-CB 3.74Å; F36-E96 HydrophobicContact CZ-CB 4.01Å; A37-E96 PolarHBondContact O-N 3.41Å; Y38-E96 WeakPolarHBondContact CA-O 3.42Å; Y38-E96 HydrophobicContact CD1-CB 4.04Å; Y38-E96 HydrophobicContact CE1-CB 4.23Å; Y38-E96 VanDerWaalsContact CE1-OE2 3.31Å; Y38-E96 WeakPolarHBondContact CE1-OE2 3.39Å; F39-E96 PolarHBondContact N-O 3.14Å; E96-V98 HydrophobicContact CB-CG2 4.44Å; E96-V98 HydrophobicContact CG-CG2 3.71Å; E96-V98 WeakPolarHBondContact OE1-CG2 3.44Å; E96-R116 IonicContact OE1-CZ 2.87Å; E96-R116 IonicContact OE1-NH1 3.85Å; E96-R116 IonicContact OE1-NH2 3.19Å; E96-R116 PolarHBondContact OE1-NH2 2.97Å; E96-R116 IonicContact OE2-CZ 3.16Å; E96-R116 IonicContact OE2-NH1 2.67Å; E96-R116 PolarHBondContact OE2-NH1 3.01Å; E96-R116 IonicContact OE2-NH2 3.58Å
97Y98Very high93.2Very high41 Ų4172.2 Ų72.216%0.16137%0.366CS..EExtended strand (participates in β ladder)trans-84.9124.4166.1174.8-104000108.9I13 F39 H41 G77 L84 M99I13-Y97 HydrophobicContact CD1-CD2 4.1Å; I13-Y97 HydrophobicContact CD1-CE2 3.85Å; I13-Y97 HydrophobicContact CG1-CE2 4.48Å; F39-Y97 HydrophobicContact CB-CD2 4.26Å; F39-Y97 WeakPolarHBondContact O-CA 3.49Å; F39-Y97 WeakPolarHBondContact O-CD2 3.3Å; H41-Y97 HydrophobicContact CB-CE2 3.79Å; H41-Y97 VanDerWaalsContact CB-OH 3.26Å; H41-Y97 WeakPolarHBondContact CB-OH 3.34Å; H41-Y97 PolarHBondContact CD2-OH 3.09Å; G77-Y97 PolarHBondContact O-OH 3.13Å; L84-Y97 HydrophobicContact CD2-CD2 4.06Å; Y97-M99 HydrophobicContact CE1-CB 3.92Å
98V97.5Very high93.6Very high23 Ų2368 Ų6814%0.13934%0.343CS..EExtended strand (participates in β ladder)trans-123.6124.1-178.4-178.70000108.6Y38 F39 F40 H41 E96Y38-V98 HydrophobicContact CD1-CG2 4.44Å; F39-V98 PolarHBondContact O-N 3.35Å; F40-V98 CarbonylContact C-O 3.58Å; F40-V98 WeakPolarHBondContact CA-O 3.46Å; F40-V98 HydrophobicContact CD2-CB 3.88Å; F40-V98 HydrophobicContact CD2-CG1 3.7Å; F40-V98 HydrophobicContact CE2-CG1 3.86Å; H41-V98 PolarHBondContact N-O 2.77Å; E96-V98 HydrophobicContact CB-CG2 4.44Å; E96-V98 HydrophobicContact CG-CG2 3.71Å; E96-V98 WeakPolarHBondContact OE1-CG2 3.44Å
99M96.1Very high93.9Very high62 Ų6267.6 Ų67.631%0.30534%0.341SS..EExtended strand (participates in β ladder)trans-112.9133176.3-173178.167.900110.1H41 V43 K78 Y97H41-M99 WeakPolarHBondContact O-CA 3.44Å; V43-M99 HydrophobicContact CG2-CG 3.5Å; V43-M99 VanDerWaalsContact CG2-CG 3.5Å; V43-M99 HydrophobicContact CG2-SD 3.51Å; V43-M99 VanDerWaalsContact CG2-SD 3.51Å; K78-M99 HydrophobicContact CG-CE 4.23Å; Y97-M99 HydrophobicContact CE1-CB 3.92Å
100Q95.3Very high94.2Very high76 Ų7660 Ų6036%0.35531%0.308SS..EExtended strand (participates in β ladder)trans-135.3135.6176.3-174.2169.1-7.500111.1F40 H41 V42 V43 L108F40-Q100 HydrophobicContact CE2-CB 3.94Å; F40-Q100 HydrophobicContact CZ-CB 3.84Å; H41-Q100 PolarHBondContact O-N 3.39Å; V42-Q100 CarbonylContact C-O 3.58Å; V42-Q100 VanDerWaalsContact CA-O 3.32Å; V42-Q100 WeakPolarHBondContact CA-O 3.45Å; V43-Q100 PolarHBondContact N-O 3.45Å; Q100-L108 HydrophobicContact CG-CD1 4.29Å
101I92.4Very high94.7Very high79 Ų7955.1 Ų55.141%0.40528%0.282SS..EExtended strand (participates in β ladder)trans-84.1132175.1-58.9169000108.9V43 I70V43-I101 HydrophobicContact CB-CG1 4.13Å; V43-I101 HydrophobicContact CG1-CG1 4.38Å; V43-I101 WeakPolarHBondContact O-CA 3.46Å; I70-I101 HydrophobicContact CG2-CD1 3.95Å
102G92Very high95.2Very high15 Ų1553.5 Ų53.516%0.15527%0.271CS..  trans175.4171.4173.100000113.3V43 E44V43-G102 PolarHBondContact O-N 2.58Å; V43-G102 VanDerWaalsContact O-N 3.09Å; E44-G102 WeakPolarHBondContact CA-O 3.32Å
103N90.5Very high95.7Very high105 Ų10546.3 Ų46.356%0.56123%0.233SC*.SBendtrans-113.711.1-17364.7-10.6000113.7
104K93.4Very high96Very high114 Ų11450.3 Ų50.350%0.49625%0.249SC..  trans-135.871179.8-65.7-175.1-175174.60110.1G106 E107 L108K104-G106 VanDerWaalsContact C-N 3.28Å; K104-G106 PolarHBondContact O-N 3.21Å; K104-E107 HydrophobicContact CB-CB 3.97Å; K104-E107 HydrophobicContact CD-CB 4.44Å; K104-E107 WeakPolarHBondContact CD-OE2 3.34Å; K104-E107 IonicContact NZ-OE2 2.68Å; K104-E107 PolarHBondContact NZ-OE2 2.99Å; K104-E107 PolarHBondContact O-N 3.47Å; K104-E107 VanDerWaalsContact O-N 3.11Å; K104-L108 WeakPolarHBondContact O-CG 3.38Å; K104-L108 PolarHBondContact O-N 3.19Å; K104-L108 VanDerWaalsContact O-N 3.08Å
105P94.2Very high96.2Very high20 Ų2051.3 Ų51.313%0.1325%0.254CS..Hα-helixtrans-54.7-41.1-174.517.3-31.2000113.5V42 E107 L108 I109 V139V42-P105 HydrophobicContact CB-CB 4.05Å; V42-P105 HydrophobicContact CG1-CB 4.07Å; V42-P105 HydrophobicContact CG2-CB 4.09Å; P105-E107 PolarHBondContact O-N 2.96Å; P105-L108 PolarHBondContact O-N 3.17Å; P105-I109 WeakPolarHBondContact O-CB 3.49Å; P105-I109 VanDerWaalsContact O-CD1 3.27Å; P105-I109 WeakPolarHBondContact O-CD1 3.26Å; P105-I109 WeakPolarHBondContact O-CG1 3.41Å; P105-I109 PolarHBondContact O-N 3.2Å; P105-V139 HydrophobicContact CB-CG1 4.26Å; P105-V139 HydrophobicContact CB-CG2 4.1Å; P105-V139 HydrophobicContact CG-CG2 3.64Å
106G95.5Very high96.2Very high6 Ų652.3 Ų52.36%0.06226%0.255CS..Hα-helixtrans-59.3-45177.100000113.4K104 I109 I110K104-G106 VanDerWaalsContact C-N 3.28Å; K104-G106 PolarHBondContact O-N 3.21Å; G106-I109 PolarHBondContact O-N 3.31Å; G106-I110 WeakPolarHBondContact O-CG1 3.44Å; G106-I110 PolarHBondContact O-N 3.38Å; G106-I110 VanDerWaalsContact O-N 3.13Å
107E97.6Very high96.2Very high68 Ų6853.5 Ų53.532%0.31827%0.269SS..Hα-helixtrans-65.8-43.8178.9-169.4-179.9147.300111K104 P105 I109 I110 N111 Y142K104-E107 HydrophobicContact CB-CB 3.97Å; K104-E107 HydrophobicContact CD-CB 4.44Å; K104-E107 WeakPolarHBondContact CD-OE2 3.34Å; K104-E107 IonicContact NZ-OE2 2.68Å; K104-E107 PolarHBondContact NZ-OE2 2.99Å; K104-E107 PolarHBondContact O-N 3.47Å; K104-E107 VanDerWaalsContact O-N 3.11Å; P105-E107 PolarHBondContact O-N 2.96Å; E107-I109 VanDerWaalsContact C-N 3.35Å; E107-I109 PolarHBondContact O-N 3.26Å; E107-I110 PolarHBondContact O-N 2.98Å; E107-N111 VanDerWaalsContact O-CG 3.23Å; E107-N111 PolarHBondContact O-N 2.76Å; E107-N111 PolarHBondContact O-ND2 3.22Å; E107-Y142 HydrophobicContact CB-CE1 4.26Å
108L98Very high96.2Very high25 Ų2551.8 Ų51.813%0.13126%0.263CS..Hα-helixtrans-62.9-40177.7-66.5-178.5000112.5F40 V42 Q100 K104 P105 N111 V112F40-L108 HydrophobicContact CE1-CB 4.02Å; F40-L108 HydrophobicContact CZ-CB 4.12Å; V42-L108 HydrophobicContact CG1-CD1 3.79Å; V42-L108 HydrophobicContact CG2-CB 4.23Å; V42-L108 HydrophobicContact CG2-CD1 4.1Å; Q100-L108 HydrophobicContact CG-CD1 4.29Å; K104-L108 WeakPolarHBondContact O-CG 3.38Å; K104-L108 PolarHBondContact O-N 3.19Å; K104-L108 VanDerWaalsContact O-N 3.08Å; P105-L108 PolarHBondContact O-N 3.17Å; L108-N111 PolarHBondContact O-N 2.89Å; L108-V112 PolarHBondContact O-N 2.7Å
109I97.9Very high96.3Very high4 Ų454.5 Ų54.52%0.02128%0.277CS..Hα-helixtrans-63.9-41.5176.4-70159.7000110.9L10 P12 F40 P105 G106 E107 V112 A113 I121 V139 I143L10-I109 HydrophobicContact CD2-CG2 3.96Å; P12-I109 HydrophobicContact CB-CD1 3.54Å; P12-I109 HydrophobicContact CB-CG1 4.01Å; P12-I109 HydrophobicContact CG-CB 4.47Å; P12-I109 HydrophobicContact CG-CD1 3.7Å; P12-I109 HydrophobicContact CG-CG1 3.88Å; P12-I109 HydrophobicContact CG-CG2 3.7Å; F40-I109 HydrophobicContact CD1-CG1 3.8Å; F40-I109 HydrophobicContact CE1-CG1 3.97Å; P105-I109 WeakPolarHBondContact O-CB 3.49Å; P105-I109 VanDerWaalsContact O-CD1 3.27Å; P105-I109 WeakPolarHBondContact O-CD1 3.26Å; P105-I109 WeakPolarHBondContact O-CG1 3.41Å; P105-I109 PolarHBondContact O-N 3.2Å; G106-I109 PolarHBondContact O-N 3.31Å; E107-I109 VanDerWaalsContact C-N 3.35Å; E107-I109 PolarHBondContact O-N 3.26Å; I109-V112 WeakPolarHBondContact O-CG1 3.22Å; I109-A113 VanDerWaalsContact O-CB 3.28Å; I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 2.95Å; I109-I121 HydrophobicContact CG2-CD1 4.44Å; I109-I121 HydrophobicContact CG2-CG2 4.32Å; I109-V139 HydrophobicContact CD1-CG1 3.61Å; I109-I143 HydrophobicContact CB-CD1 4.23Å; I109-I143 HydrophobicContact CB-CG1 4.39Å; I109-I143 HydrophobicContact CD1-CD1 3.86Å; I109-I143 HydrophobicContact CG2-CD1 3.67Å; I109-I143 HydrophobicContact CG2-CG1 3.97Å
110I98.4Very high96.4Very high6 Ų651.8 Ų51.83%0.03126%0.264CS..Hα-helixtrans-66-40.3175.9-67.1-59.2000111.4G106 E107 A113 K114 I121 Y142 I143 H146 C147G106-I110 WeakPolarHBondContact O-CG1 3.44Å; G106-I110 PolarHBondContact O-N 3.38Å; G106-I110 VanDerWaalsContact O-N 3.13Å; E107-I110 PolarHBondContact O-N 2.98Å; I110-A113 PolarHBondContact O-N 2.96Å; I110-K114 HydrophobicContact CG2-CD 4.36Å; I110-K114 WeakPolarHBondContact O-CG 2.93Å; I110-K114 PolarHBondContact O-N 3.24Å; I110-I121 HydrophobicContact CD1-CD1 4.49Å; I110-Y142 HydrophobicContact CG1-CD1 4.34Å; I110-Y142 HydrophobicContact CG1-CE1 4.04Å; I110-I143 HydrophobicContact CD1-CB 4.48Å; I110-I143 HydrophobicContact CD1-CG2 4.12Å; I110-H146 HydrophobicContact CD1-CB 4.1Å; I110-H146 HydrophobicContact CG1-CB 3.93Å; I110-C147 HydrophobicContact CD1-CB 3.84Å
111N98.3Very high96.5Very high56 Ų5648.2 Ų48.230%0.29925%0.247SC..Hα-helixtrans-66.5-48.7179.3-68.6-16.1000111.3E107 L108 A113 K114 E115E107-N111 VanDerWaalsContact O-CG 3.23Å; E107-N111 PolarHBondContact O-N 2.76Å; E107-N111 PolarHBondContact O-ND2 3.22Å; L108-N111 PolarHBondContact O-N 2.89Å; N111-A113 VanDerWaalsContact C-N 3.28Å; N111-A113 PolarHBondContact O-N 3.41Å; N111-K114 WeakPolarHBondContact O-CB 3.26Å; N111-K114 PolarHBondContact O-N 3.43Å; N111-K114 VanDerWaalsContact O-N 3.12Å; N111-E115 WeakPolarHBondContact O-CG 3.37Å; N111-E115 PolarHBondContact O-N 2.89Å
112V98.1Very high96.8Very high5 Ų544.5 Ų44.53%0.0323%0.228CC..Hα-helixtrans-64.4-34.6178.777.50000111.8L10 F40 L108 I109 K114 E115 R116L10-V112 HydrophobicContact CD1-CG1 3.99Å; L10-V112 HydrophobicContact CD2-CG1 3.65Å; F40-V112 HydrophobicContact CD1-CG1 4.06Å; F40-V112 HydrophobicContact CD2-CB 4.35Å; F40-V112 HydrophobicContact CD2-CG1 3.99Å; F40-V112 HydrophobicContact CD2-CG2 4.08Å; F40-V112 HydrophobicContact CE1-CG1 4.1Å; F40-V112 HydrophobicContact CE2-CB 4.08Å; F40-V112 HydrophobicContact CE2-CG1 4.08Å; F40-V112 HydrophobicContact CE2-CG2 4.03Å; F40-V112 HydrophobicContact CG-CG1 3.99Å; F40-V112 HydrophobicContact CZ-CB 4.27Å; F40-V112 HydrophobicContact CZ-CG1 4.12Å; L108-V112 PolarHBondContact O-N 2.7Å; I109-V112 WeakPolarHBondContact O-CG1 3.22Å; V112-K114 VanDerWaalsContact C-N 3.32Å; V112-K114 PolarHBondContact O-N 3.32Å; V112-E115 PolarHBondContact O-N 3.44Å; V112-R116 HydrophobicContact CG2-CG 3.87Å; V112-R116 VanDerWaalsContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CB 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.26Å; V112-R116 PolarHBondContact O-N 2.92Å
113A98.3Very high97Very high4 Ų444.4 Ų44.43%0.03322%0.224CC..Hα-helixtrans-60.3-41.9174.200000112.1L10 I109 I110 N111 S117 V118 I121L10-A113 HydrophobicContact CD2-CB 3.82Å; I109-A113 VanDerWaalsContact O-CB 3.28Å; I109-A113 WeakPolarHBondContact O-CB 3.1Å; I109-A113 PolarHBondContact O-N 2.95Å; I110-A113 PolarHBondContact O-N 2.96Å; N111-A113 VanDerWaalsContact C-N 3.28Å; N111-A113 PolarHBondContact O-N 3.41Å; A113-S117 PolarHBondContact O-N 2.77Å; A113-S117 VanDerWaalsContact O-N 3.17Å; A113-V118 HydrophobicContact CB-CB 4.19Å; A113-V118 HydrophobicContact CB-CG2 4.48Å; A113-V118 PolarHBondContact O-N 3.44Å; A113-I121 HydrophobicContact CB-CD1 3.76Å; A113-I121 HydrophobicContact CB-CG1 4.24Å
114K97.9Very high96.9Very high109 Ų10939.6 Ų39.647%0.47420%0.199SC..Hα-helixtrans-68.9-50.7175.3-68.8170.1-176.8172.80111.7I110 N111 V112 R116 S117I110-K114 HydrophobicContact CG2-CD 4.36Å; I110-K114 WeakPolarHBondContact O-CG 2.93Å; I110-K114 PolarHBondContact O-N 3.24Å; N111-K114 WeakPolarHBondContact O-CB 3.26Å; N111-K114 PolarHBondContact O-N 3.43Å; N111-K114 VanDerWaalsContact O-N 3.12Å; V112-K114 VanDerWaalsContact C-N 3.32Å; V112-K114 PolarHBondContact O-N 3.32Å; K114-R116 VanDerWaalsContact C-N 3.29Å; K114-R116 PolarHBondContact O-N 3.49Å; K114-S117 PolarHBondContact O-N 3.07Å; K114-S117 VanDerWaalsContact O-N 3.11Å
115E97.8Very high96.4Very high142 Ų14235.4 Ų35.466%0.66418%0.182SC*.Hα-helixtrans-58.9-39.7-178.2-72.8172.5-168.600112.3N111 V112N111-E115 WeakPolarHBondContact O-CG 3.37Å; N111-E115 PolarHBondContact O-N 2.89Å; V112-E115 PolarHBondContact O-N 3.44Å
116R97Very high95.5Very high79 Ų7938.6 Ų38.630%0.29819%0.192SC..THydrogen-bonded Turntrans-91.62.9-179.9-58.2-59.4-170.9129.813.6113.4R8 Y38 E96 V112 K114 V118R8-R116 WeakPolarHBondContact CD-O 3.4Å; Y38-R116 HydrophobicContact CE1-CB 4.45Å; Y38-R116 HydrophobicContact CE1-CG 4.19Å; Y38-R116 HydrophobicContact CE2-CB 4.06Å; E96-R116 IonicContact OE1-CZ 2.87Å; E96-R116 IonicContact OE1-NH1 3.85Å; E96-R116 IonicContact OE1-NH2 3.19Å; E96-R116 PolarHBondContact OE1-NH2 2.97Å; E96-R116 IonicContact OE2-CZ 3.16Å; E96-R116 IonicContact OE2-NH1 2.67Å; E96-R116 PolarHBondContact OE2-NH1 3.01Å; E96-R116 IonicContact OE2-NH2 3.58Å; V112-R116 HydrophobicContact CG2-CG 3.87Å; V112-R116 VanDerWaalsContact O-CB 3.3Å; V112-R116 WeakPolarHBondContact O-CB 3.22Å; V112-R116 WeakPolarHBondContact O-CG 3.26Å; V112-R116 PolarHBondContact O-N 2.92Å; K114-R116 VanDerWaalsContact C-N 3.29Å; K114-R116 PolarHBondContact O-N 3.49Å; R116-V118 VanDerWaalsContact C-N 3.28Å; R116-V118 HydrophobicContact CB-CG2 4.07Å; R116-V118 PolarHBondContact O-N 3.36Å
117S97Very high93.9Very high84 Ų8439.7 Ų39.759%0.58720%0.202SC*.THydrogen-bonded Turntrans49.948.9-177.9-58.50000112.3R8 A113 K114R8-S117 WeakPolarHBondContact CD-O 3.32Å; A113-S117 PolarHBondContact O-N 2.77Å; A113-S117 VanDerWaalsContact O-N 3.17Å; K114-S117 PolarHBondContact O-N 3.07Å; K114-S117 VanDerWaalsContact O-N 3.11Å
118V98.1Very high92Very high6 Ų643.3 Ų43.34%0.03622%0.223CC..  trans-65.6141.1-178.7166.10000110.2L10 Y38 A113 R116 V120 I121 V149L10-V118 HydrophobicContact CB-CB 4.32Å; L10-V118 HydrophobicContact CB-CG1 3.59Å; L10-V118 HydrophobicContact CB-CG2 3.85Å; Y38-V118 HydrophobicContact CD2-CG2 4.17Å; A113-V118 HydrophobicContact CB-CB 4.19Å; A113-V118 HydrophobicContact CB-CG2 4.48Å; A113-V118 PolarHBondContact O-N 3.44Å; R116-V118 VanDerWaalsContact C-N 3.28Å; R116-V118 HydrophobicContact CB-CG2 4.07Å; R116-V118 PolarHBondContact O-N 3.36Å; V118-V120 WeakPolarHBondContact CG1-O 3.34Å; V118-I121 HydrophobicContact CG1-CG1 4.22Å; V118-V149 WeakPolarHBondContact O-CG1 3.34Å
119D98Very high90.1Very high79 Ų7945 Ų4542%0.42225%0.246SC..SBendtrans-91.9-24.3178.7-60.8-63.3000112.8R7 R8 P150R7-D119 WeakPolarHBondContact CA-OD2 3.49Å; R7-D119 HydrophobicContact CG-CB 4.06Å; R8-D119 PolarHBondContact N-OD2 3.17Å; R8-D119 PolarHBondContact O-N 3.25Å; D119-P150 WeakPolarHBondContact O-CD 3.23Å
120V98.4Very high88Confident6 Ų647.7 Ų47.74%0.03627%0.269CS..EExtended strand (participates in β ladder)trans-155.6136.7-179.754.10000111.2R8 V9 L10 F30 V118 P150 I152R8-V120 PolarHBondContact O-N 2.68Å; V9-V120 HydrophobicContact CB-CG1 4.26Å; V9-V120 HydrophobicContact CG1-CG1 4.09Å; V9-V120 HydrophobicContact CG2-CG1 3.86Å; L10-V120 PolarHBondContact N-O 3.41Å; F30-V120 HydrophobicContact CE1-CG1 4.06Å; F30-V120 HydrophobicContact CE1-CG2 4.45Å; F30-V120 HydrophobicContact CZ-CG1 4.38Å; F30-V120 HydrophobicContact CZ-CG2 4.3Å; V118-V120 WeakPolarHBondContact CG1-O 3.34Å; V120-P150 WeakPolarHBondContact CA-O 3.24Å; V120-P150 HydrophobicContact CB-CB 4.39Å; V120-P150 HydrophobicContact CG2-CB 4.2Å; V120-P150 WeakPolarHBondContact CG2-O 3.19Å; V120-I152 HydrophobicContact CG2-CD1 3.76Å; V120-I152 HydrophobicContact CG2-CG1 4.02Å
121I98.5Very high86.1Confident0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-102.6129.4171.7-55.2174.6000108.3L10 P12 I109 I110 A113 V118 I143 C147 V149 P150 F151 I152L10-I121 HydrophobicContact CB-CG1 4.33Å; L10-I121 HydrophobicContact CD2-CD1 4.45Å; L10-I121 HydrophobicContact CD2-CG1 4.18Å; L10-I121 CarbonylContact O-C 3.6Å; L10-I121 WeakPolarHBondContact O-CA 3.42Å; P12-I121 HydrophobicContact CG-CG2 4.22Å; I109-I121 HydrophobicContact CG2-CD1 4.44Å; I109-I121 HydrophobicContact CG2-CG2 4.32Å; I110-I121 HydrophobicContact CD1-CD1 4.49Å; A113-I121 HydrophobicContact CB-CD1 3.76Å; A113-I121 HydrophobicContact CB-CG1 4.24Å; V118-I121 HydrophobicContact CG1-CG1 4.22Å; I121-I143 HydrophobicContact CD1-CG2 4.1Å; I121-I143 HydrophobicContact CG2-CG2 4.36Å; I121-C147 HydrophobicContact CD1-CB 4.18Å; I121-V149 HydrophobicContact CD1-CG2 4Å; I121-V149 HydrophobicContact CG1-CG2 3.8Å; I121-P150 PolarHBondContact N-O 2.93Å; I121-F151 HydrophobicContact CB-CD2 3.93Å; I121-F151 HydrophobicContact CG2-CD2 3.88Å; I121-F151 HydrophobicContact CG2-CE2 4.05Å; I121-F151 CarbonylContact O-C 3.54Å; I121-F151 WeakPolarHBondContact O-CA 3.31Å; I121-I152 PolarHBondContact O-N 3.14Å
122L97.9Very high84.3Confident1 Ų164.5 Ų64.51%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-125.8124.1177.9-176.4145.4000110.3L10 L11 P12 A22 W25 F30 I152 I154L10-L122 PolarHBondContact O-N 2.74Å; L11-L122 WeakPolarHBondContact CA-O 3.33Å; L11-L122 HydrophobicContact CD2-CD2 3.69Å; L11-L122 HydrophobicContact CG-CB 4.45Å; L11-L122 HydrophobicContact CG-CD2 4.26Å; P12-L122 VanDerWaalsContact CD-O 3.27Å; P12-L122 WeakPolarHBondContact CD-O 3.38Å; A22-L122 HydrophobicContact CB-CD2 3.96Å; A22-L122 WeakPolarHBondContact O-CD2 3.47Å; W25-L122 HydrophobicContact CE3-CD1 3.78Å; W25-L122 HydrophobicContact CZ3-CD1 3.56Å; F30-L122 HydrophobicContact CD1-CD1 4.42Å; L122-I152 WeakPolarHBondContact CA-O 3.34Å; L122-I152 HydrophobicContact CB-CB 4.43Å; L122-I152 HydrophobicContact CD1-CB 4.24Å; L122-I152 HydrophobicContact CD1-CD1 4.37Å; L122-I152 HydrophobicContact CD1-CG2 4.16Å; L122-I152 HydrophobicContact CG-CB 4.28Å; L122-I152 HydrophobicContact CG-CG2 4.44Å; L122-I154 HydrophobicContact CD1-CD1 4.12Å; L122-I154 HydrophobicContact CD1-CG1 4.48Å; L122-I154 HydrophobicContact CD2-CG1 3.98Å; L122-I154 HydrophobicContact CG-CD1 4.22Å; L122-I154 HydrophobicContact CG-CG1 4.13Å
123I95.3Very high82.7Confident14 Ų1475.6 Ų75.67%0.07237%0.374CS..EExtended strand (participates in β ladder)trans-136.8156.6-175.2-159.5172.3000112.1P12 V139 I143 F151 I152 I153 I154P12-I123 HydrophobicContact CB-CD1 3.89Å; P12-I123 HydrophobicContact CB-CG1 4.13Å; P12-I123 HydrophobicContact CG-CD1 4.08Å; P12-I123 HydrophobicContact CG-CG1 4.3Å; I123-V139 HydrophobicContact CD1-CG1 4.3Å; I123-I143 HydrophobicContact CD1-CD1 3.87Å; I123-F151 HydrophobicContact CB-CE2 4.12Å; I123-F151 HydrophobicContact CG2-CE2 3.33Å; I123-F151 HydrophobicContact CG2-CZ 3.48Å; I123-F151 VanDerWaalsContact CG2-CZ 3.48Å; I123-I152 PolarHBondContact N-O 2.75Å; I123-I153 HydrophobicContact CG2-CG1 4.22Å; I123-I154 PolarHBondContact O-N 3.38Å
124G90.3Very high81.2Confident3 Ų379 Ų793%0.03140%0.395CS..EExtended strand (participates in β ladder)trans-68.2146163.600000112.1R126 S140G124-R126 PolarHBondContact O-N 2.91Å; G124-S140 PolarHBondContact O-OG 2.86Å
125N82.6Confident79.8Confident26 Ų2683 Ų8314%0.13941%0.412CS..SBendtrans-59.7-24.5178.3-175.447.4000115.2F135 G137 I153 I154N125-F135 VanDerWaalsContact CG-O 3.32Å; N125-F135 PolarHBondContact ND2-O 3.24Å; N125-F135 PolarHBondContact OD1-O 3.24Å; N125-F135 VanDerWaalsContact OD1-O 3.05Å; N125-G137 PolarHBondContact O-N 3.38Å; N125-I153 HydrophobicContact CB-CG2 3.7Å; N125-I154 WeakPolarHBondContact CB-O 3.22Å; N125-I154 PolarHBondContact N-O 2.91Å
126R73.7Confident78.7Confident88 Ų8878 Ų7833%0.33239%0.39SS..  trans-141.4150.6-175.3-69.8-166.2-87.1-172.5-5.6110.3H18 G124H18-R126 WeakPolarHBondContact CB-O 3.38Å; H18-R126 WeakPolarHBondContact CD2-CB 3.37Å; H18-R126 PolarHBondContact CD2-O 3.43Å; G124-R126 PolarHBondContact O-N 2.91Å
127G62.8Low77.8Confident28 Ų2875 Ų7529%0.28938%0.383SS..  trans-113.4-157.5170.600000111.9D14 G129D14-G127 VanDerWaalsContact OD2-CA 3.22Å; D14-G127 WeakPolarHBondContact OD2-CA 3.36Å; G127-G129 VanDerWaalsContact C-N 3.26Å; G127-G129 PolarHBondContact O-N 2.99Å; G127-G129 VanDerWaalsContact O-N 3.14Å
128L57.8Low77.3Confident145 Ų14575.5 Ų75.576%0.75939%0.387SS*.SBendtrans-57.4-24.9-176.6-68.1170000116D14 A130D14-L128 PolarHBondContact OD2-N 2.84Å; L128-A130 PolarHBondContact O-N 3.39Å
129G57.3Low77Confident59 Ų5977.1 Ų77.161%0.60840%0.397SS*.  trans-97.144.6-169.300000116.7G127 F131G127-G129 VanDerWaalsContact C-N 3.26Å; G127-G129 PolarHBondContact O-N 2.99Å; G127-G129 VanDerWaalsContact O-N 3.14Å; G129-F131 WeakPolarHBondContact O-CD2 3.5Å; G129-F131 PolarHBondContact O-N 3.23Å
130A55.3Low76.6Confident61 Ų6173.5 Ų73.550%0.50438%0.378SS..  trans-58.684.6-169.200000115.6L128 R132L128-A130 PolarHBondContact O-N 3.39Å; A130-R132 PolarHBondContact O-N 3.45Å
131F57.3Low76.3Confident163 Ų16377.7 Ų77.772%0.71540%0.397SS*.  trans-68.3120.6163.4-78.2-85.2000109.3G129 R133 T134G129-F131 WeakPolarHBondContact O-CD2 3.5Å; G129-F131 PolarHBondContact O-N 3.23Å; F131-R133 PolarHBondContact O-N 2.87Å; F131-T134 PolarHBondContact O-N 3.46Å
132R60.7Low76.1Confident252 Ų25281.5 Ų81.595%0.95141%0.412SS*.THydrogen-bonded Turntrans-58.4-10.7-177.8-73.5-176.1174.9172.6-1.6115.2A130A130-R132 PolarHBondContact O-N 3.45Å
133R65.4Low76Confident238 Ų23881.4 Ų81.490%0.89841%0.412SS*.THydrogen-bonded Turntrans-100.2-14.1-172.8-100.4178.2-84.5158.1-5.5115F131F131-R133 PolarHBondContact O-N 2.87Å
134T65.6Low75.9Confident76 Ų7685 Ų8547%0.46643%0.43SS..  trans-107.4128.9-178.950.40000110.9F131 L136F131-T134 PolarHBondContact O-N 3.46Å; T134-L136 VanDerWaalsContact C-N 3.35Å
135F68.6Low76.2Confident193 Ų19391.2 Ų91.285%0.84646%0.458SS*.SBendtrans-72.6-31.8174.5-71.2-78.7000111.7N125N125-F135 VanDerWaalsContact CG-O 3.32Å; N125-F135 PolarHBondContact ND2-O 3.24Å; N125-F135 PolarHBondContact OD1-O 3.24Å; N125-F135 VanDerWaalsContact OD1-O 3.05Å
136L75.1Confident76.9Confident36 Ų3694.2 Ų94.219%0.18847%0.472CS..SBendtrans-114.8133.5-179-168.760.8000110.1T134 S140 E141 L144 I153T134-L136 VanDerWaalsContact C-N 3.35Å; L136-S140 VanDerWaalsContact CD1-CB 3.4Å; L136-E141 HydrophobicContact CD2-CB 3.82Å; L136-E141 HydrophobicContact CD2-CG 4.37Å; L136-E141 HydrophobicContact CG-CB 4.1Å; L136-L144 HydrophobicContact CD2-CD2 3.89Å; L136-I153 HydrophobicContact CD1-CD1 3.62Å; L136-I153 HydrophobicContact CD1-CG1 4.42Å; L136-I153 HydrophobicContact CD1-CG2 4.34Å
137G78.1Confident78Confident16 Ų1691.5 Ų91.517%0.16547%0.466CS..  trans-70.5152.5174.300000112.4N125 V139 S140 E141N125-G137 PolarHBondContact O-N 3.38Å; G137-V139 PolarHBondContact O-N 3.48Å; G137-S140 PolarHBondContact O-N 3.03Å; G137-E141 WeakPolarHBondContact O-CB 3.44Å; G137-E141 PolarHBondContact O-N 2.85Å
138S86.7Confident79.6Confident96 Ų9695.8 Ų95.867%0.67148%0.482SS*.Hα-helixtrans-55.6-36.1-177.4550000113.7Y142S138-Y142 WeakPolarHBondContact O-CB 3.35Å; S138-Y142 PolarHBondContact O-N 3.15Å
139V91.7Very high81.6Confident39 Ų3990.4 Ų90.424%0.23646%0.455CS..Hα-helixtrans-67.4-48.6176.2-176.60000111P105 I109 I123 G137 E141 Y142 I143P105-V139 HydrophobicContact CB-CG1 4.26Å; P105-V139 HydrophobicContact CB-CG2 4.1Å; P105-V139 HydrophobicContact CG-CG2 3.64Å; I109-V139 HydrophobicContact CD1-CG1 3.61Å; I123-V139 HydrophobicContact CD1-CG1 4.3Å; G137-V139 PolarHBondContact O-N 3.48Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 3.42Å; V139-Y142 PolarHBondContact O-N 3.24Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 VanDerWaalsContact O-CG1 3.28Å; V139-I143 WeakPolarHBondContact O-CG1 3.33Å; V139-I143 PolarHBondContact O-N 2.92Å
140S90.2Very high83.5Confident4 Ų491.8 Ų91.83%0.02845%0.453CS..Hα-helixtrans-65.4-37.2179.3-50.20000111.8G124 L136 G137 I143 L144 F151G124-S140 PolarHBondContact O-OG 2.86Å; L136-S140 VanDerWaalsContact CD1-CB 3.4Å; G137-S140 PolarHBondContact O-N 3.03Å; S140-I143 PolarHBondContact O-N 3.39Å; S140-L144 WeakPolarHBondContact O-CB 3.31Å; S140-L144 PolarHBondContact O-N 2.72Å; S140-F151 VanDerWaalsContact O-CE1 3.3Å; S140-F151 WeakPolarHBondContact O-CE1 3.31Å
141E90.7Very high85.5Confident94 Ų9490.5 Ų90.544%0.43944%0.436SS..Hα-helixtrans-63.7-45.6172.8-175.6172.7-158.500111.4L136 G137 V139 I143 L144 H145L136-E141 HydrophobicContact CD2-CB 3.82Å; L136-E141 HydrophobicContact CD2-CG 4.37Å; L136-E141 HydrophobicContact CG-CB 4.1Å; G137-E141 WeakPolarHBondContact O-CB 3.44Å; G137-E141 PolarHBondContact O-N 2.85Å; V139-E141 VanDerWaalsContact C-N 3.33Å; V139-E141 PolarHBondContact O-N 3.42Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.35Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.2Å; E141-H145 PolarHBondContact O-CD2 2.77Å; E141-H145 PolarHBondContact O-N 3.32Å
142Y94.6Very high87.4Confident79 Ų7984.9 Ų84.931%0.3141%0.413SS..Hα-helixtrans-58.8-47.4174.8-174.1-82.8000111.5E107 I110 S138 V139 L144 H145 H146E107-Y142 HydrophobicContact CB-CE1 4.26Å; I110-Y142 HydrophobicContact CG1-CD1 4.34Å; I110-Y142 HydrophobicContact CG1-CE1 4.04Å; S138-Y142 WeakPolarHBondContact O-CB 3.35Å; S138-Y142 PolarHBondContact O-N 3.15Å; V139-Y142 PolarHBondContact O-N 3.24Å; Y142-L144 PolarHBondContact O-N 2.9Å; Y142-H145 PolarHBondContact O-N 3.44Å; Y142-H146 AromaticContact CD1-ND1 3.88Å; Y142-H146 AromaticContact CD2-CE1 3.86Å; Y142-H146 AromaticContact CD2-ND1 3.95Å; Y142-H146 HydrophobicContact CE1-CB 4.19Å; Y142-H146 AromaticContact CE1-CG 3.95Å; Y142-H146 AromaticContact CE1-ND1 3.83Å; Y142-H146 AromaticContact CE2-CE1 3.63Å; Y142-H146 AromaticContact CE2-ND1 3.91Å; Y142-H146 AromaticContact CG-ND1 3.95Å; Y142-H146 AromaticContact CZ-CE1 3.9Å; Y142-H146 AromaticContact CZ-ND1 3.84Å; Y142-H146 PolarHBondContact O-N 2.77Å; Y142-H146 PolarHBondContact O-ND1 3.36Å
143I95.9Very high89Confident0 Ų075.4 Ų75.40%038%0.381CS..Hα-helixtrans-60.9-46.8179.2-64.6160.5000110.3I109 I110 I121 I123 V139 S140 E141 H145 H146 C147 F151I109-I143 HydrophobicContact CB-CD1 4.23Å; I109-I143 HydrophobicContact CB-CG1 4.39Å; I109-I143 HydrophobicContact CD1-CD1 3.86Å; I109-I143 HydrophobicContact CG2-CD1 3.67Å; I109-I143 HydrophobicContact CG2-CG1 3.97Å; I110-I143 HydrophobicContact CD1-CB 4.48Å; I110-I143 HydrophobicContact CD1-CG2 4.12Å; I121-I143 HydrophobicContact CD1-CG2 4.1Å; I121-I143 HydrophobicContact CG2-CG2 4.36Å; I123-I143 HydrophobicContact CD1-CD1 3.87Å; V139-I143 HydrophobicContact CG1-CD1 3.96Å; V139-I143 VanDerWaalsContact O-CG1 3.28Å; V139-I143 WeakPolarHBondContact O-CG1 3.33Å; V139-I143 PolarHBondContact O-N 2.92Å; S140-I143 PolarHBondContact O-N 3.39Å; E141-I143 VanDerWaalsContact C-N 3.35Å; E141-I143 PolarHBondContact O-N 3.35Å; I143-H145 PolarHBondContact O-N 2.93Å; I143-H145 VanDerWaalsContact O-N 3.13Å; I143-H146 PolarHBondContact O-N 3.02Å; I143-C147 HydrophobicContact CG2-CB 3.96Å; I143-C147 VanDerWaalsContact O-CB 3.31Å; I143-C147 WeakPolarHBondContact O-CB 3.5Å; I143-C147 PolarHBondContact O-N 3.23Å; I143-C147 PolarHBondContact O-SG 2.97Å; I143-F151 HydrophobicContact CB-CE1 4.1Å; I143-F151 HydrophobicContact CB-CE2 4.09Å; I143-F151 HydrophobicContact CB-CZ 3.81Å; I143-F151 HydrophobicContact CD1-CE2 4.29Å; I143-F151 HydrophobicContact CD1-CZ 4.35Å; I143-F151 HydrophobicContact CG2-CD1 4.06Å; I143-F151 HydrophobicContact CG2-CD2 3.62Å; I143-F151 HydrophobicContact CG2-CE1 3.96Å; I143-F151 HydrophobicContact CG2-CE2 3.51Å; I143-F151 HydrophobicContact CG2-CG 3.89Å; I143-F151 HydrophobicContact CG2-CZ 3.69Å
144L93.9Very high90.3Very high88 Ų8864.6 Ų64.646%0.46134%0.341SS..Hα-helixtrans-51.6-38.8179.1-178.864.8000112.6L136 S140 E141 Y142 F151L136-L144 HydrophobicContact CD2-CD2 3.89Å; S140-L144 WeakPolarHBondContact O-CB 3.31Å; S140-L144 PolarHBondContact O-N 2.72Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.2Å; Y142-L144 PolarHBondContact O-N 2.9Å; L144-F151 HydrophobicContact CB-CD1 4.12Å; L144-F151 HydrophobicContact CB-CE1 3.92Å; L144-F151 HydrophobicContact CD1-CD1 4.05Å; L144-F151 HydrophobicContact CD1-CE1 4.48Å
145H96.1Very high91.4Very high134 Ų13464.8 Ų64.862%0.6234%0.344SS*.Hα-helixtrans-84-16-178.9-73.5-64.3000114.9E141 Y142 I143E141-H145 PolarHBondContact O-CD2 2.77Å; E141-H145 PolarHBondContact O-N 3.32Å; Y142-H145 PolarHBondContact O-N 3.44Å; I143-H145 PolarHBondContact O-N 2.93Å; I143-H145 VanDerWaalsContact O-N 3.13Å
146H98.1Very high92.1Very high90 Ų9057.7 Ų57.742%0.41732%0.317SS..Hα-helixtrans-125.1-11-170-61.986.3000114.5I110 Y142 I143I110-H146 HydrophobicContact CD1-CB 4.1Å; I110-H146 HydrophobicContact CG1-CB 3.93Å; Y142-H146 AromaticContact CD1-ND1 3.88Å; Y142-H146 AromaticContact CD2-CE1 3.86Å; Y142-H146 AromaticContact CD2-ND1 3.95Å; Y142-H146 HydrophobicContact CE1-CB 4.19Å; Y142-H146 AromaticContact CE1-CG 3.95Å; Y142-H146 AromaticContact CE1-ND1 3.83Å; Y142-H146 AromaticContact CE2-CE1 3.63Å; Y142-H146 AromaticContact CE2-ND1 3.91Å; Y142-H146 AromaticContact CG-ND1 3.95Å; Y142-H146 AromaticContact CZ-CE1 3.9Å; Y142-H146 AromaticContact CZ-ND1 3.84Å; Y142-H146 PolarHBondContact O-N 2.77Å; Y142-H146 PolarHBondContact O-ND1 3.36Å; I143-H146 PolarHBondContact O-N 3.02Å
147C97.1Very high92.3Very high31 Ų3161 Ų6121%0.20934%0.343CS..  trans-73.1138.5177.3660000111.1I110 I121 I143I110-C147 HydrophobicContact CD1-CB 3.84Å; I121-C147 HydrophobicContact CD1-CB 4.18Å; I143-C147 HydrophobicContact CG2-CB 3.96Å; I143-C147 VanDerWaalsContact O-CB 3.31Å; I143-C147 WeakPolarHBondContact O-CB 3.5Å; I143-C147 PolarHBondContact O-N 3.23Å; I143-C147 PolarHBondContact O-SG 2.97Å
148N96.6Very high92.1Very high118 Ų11867.1 Ų67.163%0.63137%0.37SS*.SBendtrans-105.711.9175.156.2-18.9000112.4
149V98.2Very high91.3Very high31 Ų3168.1 Ų68.119%0.18838%0.377CS..SBendtrans-131.7157.7-178.7-58.60000109V118 I121 F151V118-V149 WeakPolarHBondContact O-CG1 3.34Å; I121-V149 HydrophobicContact CD1-CG2 4Å; I121-V149 HydrophobicContact CG1-CG2 3.8Å; V149-F151 PolarHBondContact O-N 3.02Å
150P98Very high89.4Confident88 Ų8877.3 Ų77.357%0.57142%0.424SS*.  trans-44.2129.9171.9-31.234.7000112.6D119 V120 I121D119-P150 WeakPolarHBondContact O-CD 3.23Å; V120-P150 WeakPolarHBondContact CA-O 3.24Å; V120-P150 HydrophobicContact CB-CB 4.39Å; V120-P150 HydrophobicContact CG2-CB 4.2Å; V120-P150 WeakPolarHBondContact CG2-O 3.19Å; I121-P150 PolarHBondContact N-O 2.93Å
151F97.1Very high89.4Confident35 Ų3581 Ų8115%0.15444%0.443CS..EExtended strand (participates in β ladder)trans-123.7120-178.8175.8-133.1000110I121 I123 S140 I143 L144 V149 I153I121-F151 HydrophobicContact CB-CD2 3.93Å; I121-F151 HydrophobicContact CG2-CD2 3.88Å; I121-F151 HydrophobicContact CG2-CE2 4.05Å; I121-F151 CarbonylContact O-C 3.54Å; I121-F151 WeakPolarHBondContact O-CA 3.31Å; I123-F151 HydrophobicContact CB-CE2 4.12Å; I123-F151 HydrophobicContact CG2-CE2 3.33Å; I123-F151 HydrophobicContact CG2-CZ 3.48Å; I123-F151 VanDerWaalsContact CG2-CZ 3.48Å; S140-F151 VanDerWaalsContact O-CE1 3.3Å; S140-F151 WeakPolarHBondContact O-CE1 3.31Å; I143-F151 HydrophobicContact CB-CE1 4.1Å; I143-F151 HydrophobicContact CB-CE2 4.09Å; I143-F151 HydrophobicContact CB-CZ 3.81Å; I143-F151 HydrophobicContact CD1-CE2 4.29Å; I143-F151 HydrophobicContact CD1-CZ 4.35Å; I143-F151 HydrophobicContact CG2-CD1 4.06Å; I143-F151 HydrophobicContact CG2-CD2 3.62Å; I143-F151 HydrophobicContact CG2-CE1 3.96Å; I143-F151 HydrophobicContact CG2-CE2 3.51Å; I143-F151 HydrophobicContact CG2-CG 3.89Å; I143-F151 HydrophobicContact CG2-CZ 3.69Å; L144-F151 HydrophobicContact CB-CD1 4.12Å; L144-F151 HydrophobicContact CB-CE1 3.92Å; L144-F151 HydrophobicContact CD1-CD1 4.05Å; L144-F151 HydrophobicContact CD1-CE1 4.48Å; V149-F151 PolarHBondContact O-N 3.02Å; F151-I153 HydrophobicContact CD1-CD1 4.18Å; F151-I153 HydrophobicContact CD1-CG1 4.15Å; F151-I153 HydrophobicContact CE1-CD1 3.57Å; F151-I153 HydrophobicContact CE1-CG1 3.53Å; F151-I153 HydrophobicContact CE2-CG1 4.22Å; F151-I153 HydrophobicContact CZ-CD1 4.09Å; F151-I153 HydrophobicContact CZ-CG1 3.57Å
152I96.8Very high89.3Confident44 Ų4480.3 Ų80.323%0.22644%0.444CS..EExtended strand (participates in β ladder)trans-112.4124.1-175.3-54.2177.6000108.7W25 F30 V120 I121 L122 I123 I154W25-I152 HydrophobicContact CZ3-CG2 4.44Å; F30-I152 HydrophobicContact CD2-CD1 4.31Å; F30-I152 HydrophobicContact CE1-CD1 4.25Å; F30-I152 HydrophobicContact CE2-CD1 3.64Å; F30-I152 HydrophobicContact CZ-CD1 3.59Å; V120-I152 HydrophobicContact CG2-CD1 3.76Å; V120-I152 HydrophobicContact CG2-CG1 4.02Å; I121-I152 PolarHBondContact O-N 3.14Å; L122-I152 WeakPolarHBondContact CA-O 3.34Å; L122-I152 HydrophobicContact CB-CB 4.43Å; L122-I152 HydrophobicContact CD1-CB 4.24Å; L122-I152 HydrophobicContact CD1-CD1 4.37Å; L122-I152 HydrophobicContact CD1-CG2 4.16Å; L122-I152 HydrophobicContact CG-CB 4.28Å; L122-I152 HydrophobicContact CG-CG2 4.44Å; I123-I152 PolarHBondContact N-O 2.75Å; I152-I154 HydrophobicContact CG2-CD1 3.62Å
153I94.2Very high89Confident53 Ų5380.3 Ų80.327%0.27245%0.451SS..EExtended strand (participates in β ladder)trans-107.9121.4176.5-61.3158.4000108.7I123 N125 L136 F151 P155I123-I153 HydrophobicContact CG2-CG1 4.22Å; N125-I153 HydrophobicContact CB-CG2 3.7Å; L136-I153 HydrophobicContact CD1-CD1 3.62Å; L136-I153 HydrophobicContact CD1-CG1 4.42Å; L136-I153 HydrophobicContact CD1-CG2 4.34Å; F151-I153 HydrophobicContact CD1-CD1 4.18Å; F151-I153 HydrophobicContact CD1-CG1 4.15Å; F151-I153 HydrophobicContact CE1-CD1 3.57Å; F151-I153 HydrophobicContact CE1-CG1 3.53Å; F151-I153 HydrophobicContact CE2-CG1 4.22Å; F151-I153 HydrophobicContact CZ-CD1 4.09Å; F151-I153 HydrophobicContact CZ-CG1 3.57Å; I153-P155 WeakPolarHBondContact O-CD 3.4Å
154I93.4Very high88.6Confident12 Ų1285.1 Ų85.16%0.06248%0.478CS..EExtended strand (participates in β ladder)trans-92.9112.5178.4-46.1-54.8000109.3R21 A22 W25 L122 I123 N125 I152R21-I154 VanDerWaalsContact NH1-C 3.27Å; R21-I154 PolarHBondContact NH1-O 3.32Å; R21-I154 PolarHBondContact NH2-O 2.92Å; A22-I154 HydrophobicContact CB-CB 4.02Å; A22-I154 HydrophobicContact CB-CG1 3.85Å; W25-I154 HydrophobicContact CB-CG2 4.14Å; W25-I154 HydrophobicContact CD2-CD1 3.74Å; W25-I154 HydrophobicContact CD2-CG1 4.5Å; W25-I154 HydrophobicContact CE3-CD1 3.39Å; W25-I154 HydrophobicContact CE3-CG1 4.21Å; W25-I154 HydrophobicContact CG-CD1 4.36Å; W25-I154 HydrophobicContact CG-CG2 4.18Å; W25-I154 HydrophobicContact CH2-CD1 4.29Å; W25-I154 HydrophobicContact CZ3-CD1 3.7Å; L122-I154 HydrophobicContact CD1-CD1 4.12Å; L122-I154 HydrophobicContact CD1-CG1 4.48Å; L122-I154 HydrophobicContact CD2-CG1 3.98Å; L122-I154 HydrophobicContact CG-CD1 4.22Å; L122-I154 HydrophobicContact CG-CG1 4.13Å; I123-I154 PolarHBondContact O-N 3.38Å; N125-I154 WeakPolarHBondContact CB-O 3.22Å; N125-I154 PolarHBondContact N-O 2.91Å; I152-I154 HydrophobicContact CG2-CD1 3.62Å
155P88.8Confident88.3Confident80 Ų8084.9 Ų84.952%0.51948%0.479SS..PPolyproline II helixtrans-77.1163.4178.133.5-36000112.2R21 I153R21-P155 VanDerWaalsContact CZ-C 3.49Å; R21-P155 PolarHBondContact NH1-O 2.87Å; I153-P155 WeakPolarHBondContact O-CD 3.4Å
156P83.9Confident87.8Confident44 Ų4481.6 Ų81.629%0.28647%0.469SS..PPolyproline II helixtrans-54.4150.4165.3-20.132.3000111.3I158P156-I158 PolarHBondContact O-N 2.77Å
157S77.8Confident87.1Confident105 Ų10581 Ų8173%0.73447%0.473SS*.PPolyproline II helixtrans-60135.616749.70000109.5S159S157-S159 PolarHBondContact O-N 3.34Å
158I74.7Confident86.3Confident145 Ų14584.8 Ų84.874%0.74449%0.493SS*.PPolyproline II helixtrans-69.5119.4169.6-60.9168.5000106.5P156 L160P156-I158 PolarHBondContact O-N 2.77Å; I158-L160 HydrophobicContact CG2-CD2 3.98Å; I158-L160 HydrophobicContact CG2-CG 4.2Å; I158-L160 PolarHBondContact O-N 2.99Å
159S69.7Low85.4Confident116 Ų11682.1 Ų82.181%0.81148%0.482SS*.  trans-73.4105.5160.855.30000106.7S157S157-S159 PolarHBondContact O-N 3.34Å
160L52.6Low84.3Confident232 Ų23286.7 Ų86.7100%1.21551%0.508SS*.  trans-76.30166.1-69.2173.3000109.8I158I158-L160 HydrophobicContact CG2-CD2 3.98Å; I158-L160 HydrophobicContact CG2-CG 4.2Å; I158-L160 PolarHBondContact O-N 2.99Å

Retrieved 160 of 160 residues in 285.7 ms (Link to these results)

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