A0A096LRU4_POEFO Loading...

Thiosulfate sulfurtransferase/rhodanese-like domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096LRU4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 114 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
1M42.7Very low81.9Confident235 Ų23577.8 Ų77.8100%1.15841%0.407SS*.  0111.80-68.2172.2-173.200108.5N3M1-N3 PolarHBondContact O-N 3.32Å
2T56.8Low82.7Confident93 Ų9374.8 Ų74.857%0.57140%0.402SS*.  trans-76.7113166.635.80000107.2P4 R92T2-P4 WeakPolarHBondContact O-CD 3.42Å; T2-R92 VanDerWaalsContact CG2-NH1 3.3Å
3N74.3Confident83.4Confident107 Ų10770.8 Ų70.857%0.57238%0.381SS*.  trans-87.998.2172.2-164.223.8000108.3M1 R100M1-N3 PolarHBondContact O-N 3.32Å; N3-R100 PolarHBondContact ND2-NH2 3.04Å; N3-R100 PolarHBondContact O-NE 3.07Å; N3-R100 VanDerWaalsContact O-NE 3.09Å
4P84.7Confident83.9Confident62 Ų6267.6 Ų67.640%0.40336%0.363SS..PPolyproline II helixtrans-62.2152179.829.2-35.4000110.2T2 R100 N101 T103T2-P4 WeakPolarHBondContact O-CD 3.42Å; P4-R100 PolarHBondContact O-NH2 3.24Å; P4-N101 CarbonylContact C-O 3.52Å; P4-N101 VanDerWaalsContact CA-O 3.28Å; P4-N101 WeakPolarHBondContact CA-O 3.36Å; P4-T103 HydrophobicContact CB-CG2 3.88Å
5V90.5Very high84.2Confident2 Ų268.7 Ų68.71%0.01239%0.385CS..BIsolated β-bridgetrans-91.2133.8171.1176.40000107.1E9 L10 V75 R100 N101 Y102V5-E9 HydrophobicContact CG1-CB 4.14Å; V5-E9 HydrophobicContact CG1-CG 4.13Å; V5-L10 HydrophobicContact CG1-CB 3.85Å; V5-V75 HydrophobicContact CB-CG1 4.29Å; V5-V75 HydrophobicContact CG1-CG1 4.49Å; V5-V75 HydrophobicContact CG2-CG1 4.03Å; V5-V75 HydrophobicContact CG2-CG2 4.01Å; V5-R100 HydrophobicContact CG2-CB 3.65Å; V5-R100 HydrophobicContact CG2-CG 4.48Å; V5-N101 PolarHBondContact N-O 2.88Å; V5-Y102 WeakPolarHBondContact O-CD2 3.25Å
6S91.4Very high84.5Confident61 Ų6175.8 Ų75.843%0.42741%0.41SS..PPolyproline II helixtrans-87.8164.717267.70000111.3E8 E9 L10S6-E8 PolarHBondContact O-N 2.9Å; S6-E9 PolarHBondContact O-N 3.32Å; S6-E9 VanDerWaalsContact OG-CB 3.31Å; S6-E9 WeakPolarHBondContact OG-CB 3.5Å; S6-E9 PolarHBondContact OG-N 3.04Å; S6-L10 WeakPolarHBondContact O-CB 3.26Å; S6-L10 PolarHBondContact O-N 3.44Å
7Y92.3Very high84.6Confident18 Ų1872.1 Ų72.17%0.07139%0.392CS..Hα-helixtrans-58.7-45.9174.8160.5-92.3000112.2E9 L10 K11 D108 W109 R112 E113Y7-E9 VanDerWaalsContact C-N 3.28Å; Y7-E9 PolarHBondContact O-N 2.92Å; Y7-L10 PolarHBondContact O-N 3.39Å; Y7-K11 HydrophobicContact CE1-CD 4.13Å; Y7-K11 HydrophobicContact CE2-CD 4.45Å; Y7-K11 WeakPolarHBondContact O-CB 3.42Å; Y7-K11 PolarHBondContact O-N 2.99Å; Y7-K11 WeakPolarHBondContact OH-CD 3.5Å; Y7-K11 PolarHBondContact OH-NZ 2.65Å; Y7-D108 WeakPolarHBondContact CB-OD2 3.43Å; Y7-W109 AromaticContact CD2-CE3 3.98Å; Y7-W109 HydrophobicContact CD2-CE3 3.98Å; Y7-W109 HydrophobicContact CD2-CZ3 4.3Å; Y7-W109 AromaticContact CE2-CE3 3.94Å; Y7-W109 HydrophobicContact CE2-CE3 3.94Å; Y7-W109 HydrophobicContact CE2-CZ3 4.03Å; Y7-R112 VanDerWaalsContact CD1-CD 3.48Å; Y7-R112 VanDerWaalsContact CD1-NH1 3.29Å; Y7-R112 HydrophobicContact CD2-CB 4.47Å; Y7-R112 VanDerWaalsContact CD2-CD 3.42Å; Y7-R112 HydrophobicContact CE2-CB 3.84Å; Y7-R112 HydrophobicContact CE2-CG 4.35Å; Y7-E113 HydrophobicContact CE2-CG 4.11Å; Y7-E113 PolarHBondContact OH-OE1 3.1Å
8E92.1Very high84.4Confident126 Ų12678.6 Ų78.659%0.58942%0.416SS*.Hα-helixtrans-58.9-43.2179.7-65.7-65.1139.300110.9S6 K11 A12 R112S6-E8 PolarHBondContact O-N 2.9Å; E8-K11 PolarHBondContact O-N 2.73Å; E8-A12 WeakPolarHBondContact O-CB 3.38Å; E8-A12 PolarHBondContact O-N 3.14Å; E8-R112 IonicContact OE1-NH1 2.98Å
9E91.9Very high84.4Confident62 Ų6281.4 Ų81.429%0.2943%0.431SS..Hα-helixtrans-65.9-47.2176.4-176178.3-172.100111.6V5 S6 Y7 K11 A12 L13 R100V5-E9 HydrophobicContact CG1-CB 4.14Å; V5-E9 HydrophobicContact CG1-CG 4.13Å; S6-E9 PolarHBondContact O-N 3.32Å; S6-E9 VanDerWaalsContact OG-CB 3.31Å; S6-E9 WeakPolarHBondContact OG-CB 3.5Å; S6-E9 PolarHBondContact OG-N 3.04Å; Y7-E9 VanDerWaalsContact C-N 3.28Å; Y7-E9 PolarHBondContact O-N 2.92Å; E9-K11 VanDerWaalsContact C-N 3.29Å; E9-K11 PolarHBondContact O-N 3.08Å; E9-A12 PolarHBondContact O-N 3.08Å; E9-L13 HydrophobicContact CG-CD1 4.12Å; E9-L13 HydrophobicContact CG-CG 4.46Å; E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 VanDerWaalsContact O-CG 3.25Å; E9-L13 WeakPolarHBondContact O-CG 3.27Å; E9-L13 PolarHBondContact O-N 3.25Å; E9-R100 IonicContact OE1-CZ 3.13Å; E9-R100 IonicContact OE1-NH1 2.66Å; E9-R100 PolarHBondContact OE1-NH1 2.88Å; E9-R100 IonicContact OE1-NH2 2.77Å; E9-R100 PolarHBondContact OE1-NH2 3.47Å; E9-R100 IonicContact OE2-CZ 3.96Å; E9-R100 IonicContact OE2-NH2 2.99Å; E9-R100 PolarHBondContact OE2-NH2 2.81Å
10L91.9Very high84.7Confident0 Ų077.9 Ų77.90%041%0.412CS..Hα-helixtrans-59.3-42.4176.9-17961.3000111.3V5 S6 Y7 L13 L14 L20 L22 I36 V75 Y102 W109V5-L10 HydrophobicContact CG1-CB 3.85Å; S6-L10 WeakPolarHBondContact O-CB 3.26Å; S6-L10 PolarHBondContact O-N 3.44Å; Y7-L10 PolarHBondContact O-N 3.39Å; L10-L13 PolarHBondContact O-N 3.27Å; L10-L14 HydrophobicContact CD1-CD1 4.4Å; L10-L14 HydrophobicContact CD1-CG 4.42Å; L10-L14 HydrophobicContact CG-CD1 4.03Å; L10-L14 HydrophobicContact CG-CG 4.5Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.42Å; L10-L20 HydrophobicContact CD1-CD2 4.33Å; L10-L22 HydrophobicContact CD1-CD1 3.76Å; L10-L22 HydrophobicContact CD1-CD2 4.24Å; L10-I36 HydrophobicContact CD2-CD1 4Å; L10-V75 HydrophobicContact CD1-CG1 4.45Å; L10-Y102 HydrophobicContact CD2-CD1 3.49Å; L10-Y102 VanDerWaalsContact CD2-CD1 3.49Å; L10-Y102 HydrophobicContact CD2-CD2 4.21Å; L10-Y102 HydrophobicContact CD2-CE1 3.59Å; L10-Y102 HydrophobicContact CD2-CE2 4.32Å; L10-Y102 HydrophobicContact CD2-CG 3.83Å; L10-W109 HydrophobicContact CD2-CE3 4.28Å; L10-W109 HydrophobicContact CD2-CZ3 4.49Å
11K91.8Very high85.1Confident90 Ų9075.5 Ų75.539%0.39140%0.4SS..Hα-helixtrans-63.8-42.8177.1-169.8171.5-172.11620111.5Y7 E8 E9 L14 A15 E113Y7-K11 HydrophobicContact CE1-CD 4.13Å; Y7-K11 HydrophobicContact CE2-CD 4.45Å; Y7-K11 WeakPolarHBondContact O-CB 3.42Å; Y7-K11 PolarHBondContact O-N 2.99Å; Y7-K11 WeakPolarHBondContact OH-CD 3.5Å; Y7-K11 PolarHBondContact OH-NZ 2.65Å; E8-K11 PolarHBondContact O-N 2.73Å; E9-K11 VanDerWaalsContact C-N 3.29Å; E9-K11 PolarHBondContact O-N 3.08Å; K11-L14 PolarHBondContact O-N 3.33Å; K11-A15 WeakPolarHBondContact O-CB 3.25Å; K11-A15 PolarHBondContact O-N 2.86Å; K11-E113 WeakPolarHBondContact CE-OE1 3.2Å; K11-E113 IonicContact NZ-OE1 2.72Å; K11-E113 PolarHBondContact NZ-OE1 2.73Å
12A92.1Very high87.5Confident41 Ų4164.4 Ų64.434%0.33935%0.345SS..Hα-helixtrans-62.8-42.4174.600000111.9E8 E9 A15 K16E8-A12 WeakPolarHBondContact O-CB 3.38Å; E8-A12 PolarHBondContact O-N 3.14Å; E9-A12 PolarHBondContact O-N 3.08Å; A12-A15 PolarHBondContact O-N 2.98Å; A12-K16 VanDerWaalsContact O-CB 3.28Å; A12-K16 WeakPolarHBondContact O-CB 3.42Å; A12-K16 WeakPolarHBondContact O-CG 3.13Å; A12-K16 PolarHBondContact O-N 3.42Å
13L91.2Very high89.3Confident24 Ų2460 Ų6013%0.12632%0.318CS..Hα-helixtrans-63.9-43.6176.2-68.6170.5000111.4E9 L10 A15 K16 S17 L20 E73E9-L13 HydrophobicContact CG-CD1 4.12Å; E9-L13 HydrophobicContact CG-CG 4.46Å; E9-L13 WeakPolarHBondContact O-CB 3.37Å; E9-L13 VanDerWaalsContact O-CG 3.25Å; E9-L13 WeakPolarHBondContact O-CG 3.27Å; E9-L13 PolarHBondContact O-N 3.25Å; L10-L13 PolarHBondContact O-N 3.27Å; L13-A15 PolarHBondContact O-N 3.24Å; L13-K16 PolarHBondContact O-N 2.79Å; L13-S17 WeakPolarHBondContact O-CA 3.21Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.04Å; L13-L20 HydrophobicContact CB-CD1 4.11Å; L13-L20 HydrophobicContact CB-CD2 3.88Å; L13-L20 HydrophobicContact CB-CG 4.42Å; L13-L20 HydrophobicContact CD1-CD1 4.19Å; L13-E73 HydrophobicContact CD2-CG 4.2Å; L13-E73 WeakPolarHBondContact CD2-OE1 3.47Å
14L90.4Very high90.3Very high25 Ų2554.9 Ų54.913%0.13129%0.291CS..Hα-helixtrans-61.4-32.9176.1-78166.6000112.8L10 K11 L20 L22 I36 P37 R38 W109L10-L14 HydrophobicContact CD1-CD1 4.4Å; L10-L14 HydrophobicContact CD1-CG 4.42Å; L10-L14 HydrophobicContact CG-CD1 4.03Å; L10-L14 HydrophobicContact CG-CG 4.5Å; L10-L14 WeakPolarHBondContact O-CB 3.28Å; L10-L14 VanDerWaalsContact O-CG 3.3Å; L10-L14 WeakPolarHBondContact O-CG 3.38Å; L10-L14 PolarHBondContact O-N 3.42Å; K11-L14 PolarHBondContact O-N 3.33Å; L14-L20 HydrophobicContact CB-CD2 4.45Å; L14-L20 HydrophobicContact CD2-CD2 3.68Å; L14-L20 HydrophobicContact CG-CD2 3.77Å; L14-L22 HydrophobicContact CD2-CD2 4.33Å; L14-I36 HydrophobicContact CD1-CG2 3.77Å; L14-P37 VanDerWaalsContact CD2-O 3.32Å; L14-P37 WeakPolarHBondContact CD2-O 3.45Å; L14-R38 HydrophobicContact CD2-CB 4.12Å; L14-R38 PolarHBondContact O-NH1 3.45Å; L14-W109 HydrophobicContact CD1-CH2 3.43Å; L14-W109 VanDerWaalsContact CD1-CH2 3.43Å; L14-W109 HydrophobicContact CD1-CZ2 4.33Å; L14-W109 HydrophobicContact CD1-CZ3 3.62Å
15A89.7Confident90.7Very high85 Ų8552 Ų5270%0.70227%0.272SS*.Hα-helixtrans-84.3-38.3179.300000113.4K11 A12 L13K11-A15 WeakPolarHBondContact O-CB 3.25Å; K11-A15 PolarHBondContact O-N 2.86Å; A12-A15 PolarHBondContact O-N 2.98Å; L13-A15 PolarHBondContact O-N 3.24Å
16K88.1Confident90.9Very high181 Ų18152 Ų5279%0.78727%0.272SS*.Hα-helixtrans-101.5-36.7-169.2-65-178179.1-1780113.7A12 L13A12-K16 VanDerWaalsContact O-CB 3.28Å; A12-K16 WeakPolarHBondContact O-CB 3.42Å; A12-K16 WeakPolarHBondContact O-CG 3.13Å; A12-K16 PolarHBondContact O-N 3.42Å; L13-K16 PolarHBondContact O-N 2.79Å
17S85.8Confident90.9Very high14 Ų1453.6 Ų53.610%0.09827%0.272CS..  trans-99.4125.7-174.7-177.20000111.9L13 D19 L20 R38 E73L13-S17 WeakPolarHBondContact O-CA 3.21Å; L13-S17 WeakPolarHBondContact O-CB 3.39Å; L13-S17 PolarHBondContact O-N 3.04Å; S17-D19 VanDerWaalsContact C-N 3.35Å; S17-D19 PolarHBondContact OG-N 2.78Å; S17-D19 VanDerWaalsContact OG-N 3.08Å; S17-L20 PolarHBondContact OG-N 3.21Å; S17-R38 VanDerWaalsContact O-CZ 3.26Å; S17-R38 PolarHBondContact O-NH1 2.85Å; S17-R38 PolarHBondContact O-NH2 3.05Å; S17-E73 WeakPolarHBondContact CB-OE2 3.2Å; S17-E73 PolarHBondContact OG-OE2 3.07Å
18K81Confident90.8Very high188 Ų18856.2 Ų56.282%0.81729%0.29SS*.SBendtrans-81.7-21.5169.3-66.4-174.1-178.7179.90111.9R38K18-R38 PolarHBondContact O-NH2 2.81Å; K18-R38 VanDerWaalsContact O-NH2 3.14Å
19D85.3Confident90.6Very high132 Ų13255.8 Ų55.871%0.70629%0.292SS*.SBendtrans-90.9-2.6-175.5-53.8-46.7000112.9S17 I21S17-D19 VanDerWaalsContact C-N 3.35Å; S17-D19 PolarHBondContact OG-N 2.78Å; S17-D19 VanDerWaalsContact OG-N 3.08Å; D19-I21 PolarHBondContact O-N 2.78Å; D19-I21 VanDerWaalsContact O-N 3.16Å
20L90.4Very high90.5Very high11 Ų1154.6 Ų54.66%0.05829%0.286CS..  trans-55.4119.1171.2173.668.1000110.6L10 L13 L14 S17 L22 E73 V75L10-L20 HydrophobicContact CD1-CD2 4.33Å; L13-L20 HydrophobicContact CB-CD1 4.11Å; L13-L20 HydrophobicContact CB-CD2 3.88Å; L13-L20 HydrophobicContact CB-CG 4.42Å; L13-L20 HydrophobicContact CD1-CD1 4.19Å; L14-L20 HydrophobicContact CB-CD2 4.45Å; L14-L20 HydrophobicContact CD2-CD2 3.68Å; L14-L20 HydrophobicContact CG-CD2 3.77Å; S17-L20 PolarHBondContact OG-N 3.21Å; L20-L22 HydrophobicContact CD2-CB 4.48Å; L20-L22 HydrophobicContact CG-CB 4.37Å; L20-E73 HydrophobicContact CD1-CB 4.26Å; L20-E73 PolarHBondContact N-OE2 3.2Å; L20-V75 HydrophobicContact CD1-CB 4.36Å; L20-V75 HydrophobicContact CD1-CG2 3.81Å
21I92.3Very high90.3Very high29 Ų2955.1 Ų55.115%0.14929%0.29CS..EExtended strand (participates in β ladder)trans-104.5101.5171.7-61.8172.5000107.5D19 I23 I64 P67 E73 L74 V75D19-I21 PolarHBondContact O-N 2.78Å; D19-I21 VanDerWaalsContact O-N 3.16Å; I21-I23 HydrophobicContact CG2-CD1 3.59Å; I21-I23 HydrophobicContact CG2-CG1 4.07Å; I21-I64 HydrophobicContact CG2-CD1 4.07Å; I21-P67 HydrophobicContact CD1-CB 3.61Å; I21-P67 HydrophobicContact CD1-CG 4.49Å; I21-E73 PolarHBondContact N-O 2.45Å; I21-L74 HydrophobicContact CB-CD1 4.02Å; I21-L74 HydrophobicContact CG2-CD1 3.64Å; I21-V75 PolarHBondContact O-N 3.23Å
22L93.8Very high90.2Very high2 Ų256.8 Ų56.81%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-100.6115.2179.3-175.265000109.9L10 L14 L20 I36 S39 T40 V75 Y77L10-L22 HydrophobicContact CD1-CD1 3.76Å; L10-L22 HydrophobicContact CD1-CD2 4.24Å; L14-L22 HydrophobicContact CD2-CD2 4.33Å; L20-L22 HydrophobicContact CD2-CB 4.48Å; L20-L22 HydrophobicContact CG-CB 4.37Å; L22-I36 HydrophobicContact CD2-CB 3.88Å; L22-I36 HydrophobicContact CD2-CD1 4.44Å; L22-I36 HydrophobicContact CD2-CG2 3.54Å; L22-S39 CarbonylContact O-C 3.58Å; L22-S39 VanDerWaalsContact O-CA 3.31Å; L22-S39 WeakPolarHBondContact O-CA 3.17Å; L22-T40 PolarHBondContact O-N 3.4Å; L22-V75 CarbonylContact C-O 3.39Å; L22-V75 WeakPolarHBondContact CA-O 3.36Å; L22-V75 HydrophobicContact CD1-CB 3.88Å; L22-V75 HydrophobicContact CD1-CG1 3.82Å; L22-Y77 HydrophobicContact CD1-CD1 3.55Å; L22-Y77 HydrophobicContact CD1-CE1 4.01Å; L22-Y77 HydrophobicContact CD2-CD1 4.19Å; L22-Y77 HydrophobicContact CD2-CE1 3.83Å; L22-Y77 HydrophobicContact CG-CD1 3.73Å; L22-Y77 HydrophobicContact CG-CE1 3.63Å
23I94Very high89.9Confident0 Ų063.3 Ų63.30%032%0.323CS..EExtended strand (participates in β ladder)trans-105.9121.4-177.4-53.5-55.8000110.8I21 V25 T40 I42 F51 I64 L74 V75 F76 Y77I21-I23 HydrophobicContact CG2-CD1 3.59Å; I21-I23 HydrophobicContact CG2-CG1 4.07Å; I23-V25 HydrophobicContact CG2-CG1 3.9Å; I23-T40 CarbonylContact C-O 3.53Å; I23-T40 WeakPolarHBondContact CA-O 3.2Å; I23-I42 HydrophobicContact CD1-CD1 3.84Å; I23-I42 HydrophobicContact CD1-CG1 4.47Å; I23-I42 HydrophobicContact CG2-CB 3.78Å; I23-I42 HydrophobicContact CG2-CD1 4.02Å; I23-I42 HydrophobicContact CG2-CG1 3.94Å; I23-F51 HydrophobicContact CG1-CZ 4.35Å; I23-I64 HydrophobicContact CD1-CD1 4.28Å; I23-L74 HydrophobicContact CG1-CD1 4.02Å; I23-V75 PolarHBondContact N-O 2.72Å; I23-F76 HydrophobicContact CB-CD1 3.64Å; I23-F76 HydrophobicContact CB-CE1 3.83Å; I23-F76 HydrophobicContact CB-CG 4.27Å; I23-F76 HydrophobicContact CG1-CD1 4.26Å; I23-F76 HydrophobicContact CG1-CE1 4Å; I23-F76 HydrophobicContact CG1-CZ 4.36Å; I23-F76 HydrophobicContact CG2-CD1 3.75Å; I23-F76 HydrophobicContact CG2-CE1 3.79Å; I23-F76 WeakPolarHBondContact O-CA 3.22Å; I23-Y77 WeakPolarHBondContact O-CD1 3.24Å; I23-Y77 PolarHBondContact O-N 2.87Å
24D94.9Very high89.7Confident0 Ų063.2 Ų63.20%033%0.328CS..EExtended strand (participates in β ladder)trans-91.2115171.8-165.9-25.6000109.7R26 T40 H41 I42 Y77D24-R26 WeakPolarHBondContact OD1-CB 3.39Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 IonicContact OD1-CZ 3.95Å; D24-R26 PolarHBondContact OD1-N 3.16Å; D24-R26 IonicContact OD1-NE 2.99Å; D24-R26 PolarHBondContact OD1-NE 3.42Å; D24-R26 IonicContact OD2-CZ 3.29Å; D24-R26 VanDerWaalsContact OD2-CZ 3.29Å; D24-R26 IonicContact OD2-NE 3.07Å; D24-R26 PolarHBondContact OD2-NE 3.14Å; D24-R26 IonicContact OD2-NH2 2.68Å; D24-R26 PolarHBondContact OD2-NH2 2.8Å; D24-T40 PolarHBondContact N-O 2.85Å; D24-H41 PolarHBondContact O-CD2 3.31Å; D24-I42 CarbonylContact O-C 3.59Å; D24-I42 PolarHBondContact O-N 2.85Å; D24-Y77 HydrophobicContact CB-CD1 4.47Å; D24-Y77 HydrophobicContact CB-CE1 3.68Å; D24-Y77 HydrophobicContact CB-CE2 4.06Å; D24-Y77 VanDerWaalsContact CB-CZ 3.44Å; D24-Y77 WeakPolarHBondContact CB-OH 3.28Å; D24-Y77 VanDerWaalsContact CG-CE2 3.5Å; D24-Y77 VanDerWaalsContact OD2-CE2 3.31Å; D24-Y77 WeakPolarHBondContact OD2-CE2 3.37Å; D24-Y77 PolarHBondContact OD2-OH 2.83Å
25V94.6Very high89.8Confident0 Ų068.7 Ų68.70%035%0.347CS..  trans-101.517.1-179.3-50.60000114.1I23 I42 L44 V47 F76 Y77 C78 R83 A87I23-V25 HydrophobicContact CG2-CG1 3.9Å; V25-I42 VanDerWaalsContact CA-O 3.26Å; V25-I42 WeakPolarHBondContact CA-O 3.47Å; V25-I42 WeakPolarHBondContact CG1-O 3.25Å; V25-L44 HydrophobicContact CB-CB 4.32Å; V25-L44 PolarHBondContact O-N 3.13Å; V25-V47 HydrophobicContact CG1-CG2 3.87Å; V25-F76 HydrophobicContact CG1-CD1 3.84Å; V25-Y77 WeakPolarHBondContact CG2-O 3.33Å; V25-Y77 PolarHBondContact N-O 2.96Å; V25-C78 HydrophobicContact CG2-CB 3.65Å; V25-R83 HydrophobicContact CG2-CB 3.97Å; V25-A87 HydrophobicContact CB-CB 4.35Å; V25-A87 HydrophobicContact CG1-CB 3.74Å; V25-A87 HydrophobicContact CG2-CB 4.23Å
26R93.7Very high89.9Confident4 Ų464.7 Ų64.72%0.01531%0.314CS..SBendtrans-72.6173.6173.7-64.5-178.7-64.41530.8111.9D24 E30 V31 G34 H41 C78 R79D24-R26 WeakPolarHBondContact OD1-CB 3.39Å; D24-R26 WeakPolarHBondContact OD1-CG 3.28Å; D24-R26 IonicContact OD1-CZ 3.95Å; D24-R26 PolarHBondContact OD1-N 3.16Å; D24-R26 IonicContact OD1-NE 2.99Å; D24-R26 PolarHBondContact OD1-NE 3.42Å; D24-R26 IonicContact OD2-CZ 3.29Å; D24-R26 VanDerWaalsContact OD2-CZ 3.29Å; D24-R26 IonicContact OD2-NE 3.07Å; D24-R26 PolarHBondContact OD2-NE 3.14Å; D24-R26 IonicContact OD2-NH2 2.68Å; D24-R26 PolarHBondContact OD2-NH2 2.8Å; R26-E30 HydrophobicContact CB-CB 4Å; R26-E30 PolarHBondContact NH1-O 3Å; R26-E30 VanDerWaalsContact NH1-O 3.11Å; R26-V31 HydrophobicContact CB-CG2 4.11Å; R26-G34 PolarHBondContact NH1-O 3.07Å; R26-G34 PolarHBondContact NH2-O 3.17Å; R26-H41 PolarHBondContact O-CD2 2.85Å; R26-H41 PolarHBondContact O-NE2 3.15Å; R26-C78 VanDerWaalsContact CG-C 3.46Å; R26-C78 HydrophobicContact CG-CB 4.23Å; R26-R79 HydrophobicContact CG-CB 4.39Å
27E91.8Very high90Very high93 Ų9359.8 Ų59.844%0.43530%0.3SS..  trans-76.6154.5170.8-59.5-52.5140.700111.1D29 E30 V31E27-D29 PolarHBondContact O-N 3.08Å; E27-E30 PolarHBondContact N-OE2 3.46Å; E27-E30 WeakPolarHBondContact O-CB 3.08Å; E27-E30 PolarHBondContact O-N 2.91Å; E27-V31 PolarHBondContact O-N 2.79Å
28T89.2Confident90.2Very high73 Ų7364.7 Ų64.745%0.44832%0.317SS..Hα-helixtrans-53.7-40.4-177.8-470000112.5E30 V31 N32 H41T28-E30 VanDerWaalsContact C-N 3.27Å; T28-E30 PolarHBondContact O-N 2.89Å; T28-V31 PolarHBondContact O-N 2.61Å; T28-N32 WeakPolarHBondContact O-CB 3.46Å; T28-N32 VanDerWaalsContact O-CG 3.23Å; T28-N32 PolarHBondContact O-N 3.34Å; T28-N32 PolarHBondContact O-ND2 2.94Å; T28-H41 PolarHBondContact OG1-CE1 3.12Å
29D88.9Confident90.7Very high117 Ų11756 Ų5663%0.62628%0.28SS*.Hα-helixtrans-62.3-32.1178.3-65.4-59.5000113.6E27 K33E27-D29 PolarHBondContact O-N 3.08Å; D29-K33 WeakPolarHBondContact O-CD 3.15Å; D29-K33 WeakPolarHBondContact O-CG 3.47Å
30E88.9Confident91.2Very high38 Ų3850.7 Ų50.718%0.17825%0.252CS..Hα-helixtrans-76.8-38.2176.8-63.8177.588.800111.1R26 E27 T28 K33 R79 R83R26-E30 HydrophobicContact CB-CB 4Å; R26-E30 PolarHBondContact NH1-O 3Å; R26-E30 VanDerWaalsContact NH1-O 3.11Å; E27-E30 PolarHBondContact N-OE2 3.46Å; E27-E30 WeakPolarHBondContact O-CB 3.08Å; E27-E30 PolarHBondContact O-N 2.91Å; T28-E30 VanDerWaalsContact C-N 3.27Å; T28-E30 PolarHBondContact O-N 2.89Å; E30-K33 PolarHBondContact O-N 3.5Å; E30-R79 WeakPolarHBondContact OE1-CD 3.34Å; E30-R83 IonicContact OE1-NH2 3.6Å; E30-R83 PolarHBondContact OE1-NH2 2.94Å; E30-R83 IonicContact OE2-CZ 3.86Å; E30-R83 VanDerWaalsContact OE2-CZ 3.26Å; E30-R83 IonicContact OE2-NH1 3.75Å; E30-R83 PolarHBondContact OE2-NH1 3.47Å; E30-R83 IonicContact OE2-NH2 3.03Å; E30-R83 PolarHBondContact OE2-NH2 3.38Å
31V89.5Confident91.4Very high11 Ų1152.2 Ų52.27%0.06726%0.259CS..Hα-helixtrans-68.1-38.5179.1178.80000111.2R26 E27 T28 K33 G34 R35 H41R26-V31 HydrophobicContact CB-CG2 4.11Å; E27-V31 PolarHBondContact O-N 2.79Å; T28-V31 PolarHBondContact O-N 2.61Å; V31-K33 PolarHBondContact O-N 3.44Å; V31-G34 CarbonylContact O-C 3.52Å; V31-G34 PolarHBondContact O-N 3.04Å; V31-R35 HydrophobicContact CG1-CB 4.07Å; V31-R35 HydrophobicContact CG1-CG 4.46Å; V31-H41 HydrophobicContact CG1-CB 4.18Å; V31-H41 HydrophobicContact CG2-CB 4.47Å; V31-H41 VanDerWaalsContact CG2-CD2 3.46Å; V31-H41 WeakPolarHBondContact CG2-CD2 3.31Å
32N88.3Confident91.4Very high124 Ų12450.9 Ų50.966%0.66325%0.252SS*.Hα-helixtrans-63.5-26.3176.5-72.9-18.5000113.2T28 G34T28-N32 WeakPolarHBondContact O-CB 3.46Å; T28-N32 VanDerWaalsContact O-CG 3.23Å; T28-N32 PolarHBondContact O-N 3.34Å; T28-N32 PolarHBondContact O-ND2 2.94Å; N32-G34 VanDerWaalsContact C-N 3.28Å
33K86.9Confident91.4Very high178 Ų17851.6 Ų51.677%0.77426%0.258SS*.THydrogen-bonded Turntrans-79.9-11.5176.3-68.9171.7-172.9178.50113.3D29 E30 V31D29-K33 WeakPolarHBondContact O-CD 3.15Å; D29-K33 WeakPolarHBondContact O-CG 3.47Å; E30-K33 PolarHBondContact O-N 3.5Å; V31-K33 PolarHBondContact O-N 3.44Å
34G87.4Confident91.3Very high22 Ų2252.4 Ų52.423%0.22726%0.262CS..  trans145.2145.2-179.100000111.2R26 V31 N32 Y106R26-G34 PolarHBondContact NH1-O 3.07Å; R26-G34 PolarHBondContact NH2-O 3.17Å; V31-G34 CarbonylContact O-C 3.52Å; V31-G34 PolarHBondContact O-N 3.04Å; N32-G34 VanDerWaalsContact C-N 3.28Å; G34-Y106 VanDerWaalsContact C-OH 3.28Å; G34-Y106 WeakPolarHBondContact CA-OH 3.46Å; G34-Y106 WeakPolarHBondContact O-CE2 3.35Å; G34-Y106 VanDerWaalsContact O-CZ 3.3Å; G34-Y106 PolarHBondContact O-OH 2.98Å
35R92.1Very high91.1Very high141 Ų14155.5 Ų55.553%0.53230%0.295SS..  trans-146.3164-178.266.4-177.5-180175.9-0.7110.9V31V31-R35 HydrophobicContact CG1-CB 4.07Å; V31-R35 HydrophobicContact CG1-CG 4.46Å
36I91.3Very high90.9Very high0 Ų058.5 Ų58.50%031%0.313CS..  trans-70.3134174.7-55.3-174.8000107.7L10 L14 L22 S39 Y77 Y102 Y106 W109L10-I36 HydrophobicContact CD2-CD1 4Å; L14-I36 HydrophobicContact CD1-CG2 3.77Å; L22-I36 HydrophobicContact CD2-CB 3.88Å; L22-I36 HydrophobicContact CD2-CD1 4.44Å; L22-I36 HydrophobicContact CD2-CG2 3.54Å; I36-S39 WeakPolarHBondContact O-CB 3.33Å; I36-S39 PolarHBondContact O-N 3.32Å; I36-S39 VanDerWaalsContact O-N 3.15Å; I36-S39 PolarHBondContact O-OG 2.62Å; I36-Y77 HydrophobicContact CB-CE1 4.27Å; I36-Y77 HydrophobicContact CD1-CD1 4.2Å; I36-Y77 HydrophobicContact CD1-CD2 3.87Å; I36-Y77 HydrophobicContact CD1-CE1 4.05Å; I36-Y77 HydrophobicContact CD1-CE2 3.77Å; I36-Y77 HydrophobicContact CD1-CG 4.09Å; I36-Y77 HydrophobicContact CG1-CD2 4.44Å; I36-Y77 HydrophobicContact CG1-CE1 4.26Å; I36-Y77 HydrophobicContact CG1-CE2 3.83Å; I36-Y77 PolarHBondContact N-OH 3.26Å; I36-Y102 HydrophobicContact CD1-CD1 4.3Å; I36-Y102 HydrophobicContact CD1-CE1 4.05Å; I36-Y106 HydrophobicContact CG1-CD2 4.2Å; I36-W109 HydrophobicContact CB-CD2 4.45Å; I36-W109 HydrophobicContact CD1-CB 3.91Å; I36-W109 HydrophobicContact CD1-CD2 3.96Å; I36-W109 HydrophobicContact CD1-CE3 4.21Å; I36-W109 HydrophobicContact CD1-CG 3.81Å; I36-W109 HydrophobicContact CG1-CB 4.14Å; I36-W109 HydrophobicContact CG1-CD2 3.88Å; I36-W109 HydrophobicContact CG1-CG 3.65Å; I36-W109 HydrophobicContact CG2-CD2 3.96Å; I36-W109 HydrophobicContact CG2-CE3 4.17Å; I36-W109 HydrophobicContact CG2-CH2 4.12Å; I36-W109 HydrophobicContact CG2-CZ2 3.89Å; I36-W109 HydrophobicContact CG2-CZ3 4.24Å
37P89.5Confident90.8Very high78 Ų7858.3 Ų58.351%0.50631%0.312SS..THydrogen-bonded Turntrans-53.3145.8175.3-25.934.6000111.6L14 S39 W109L14-P37 VanDerWaalsContact CD2-O 3.32Å; L14-P37 WeakPolarHBondContact CD2-O 3.45Å; P37-S39 PolarHBondContact O-N 3.3Å; P37-S39 VanDerWaalsContact O-N 3.12Å; P37-W109 HydrophobicContact CG-CZ2 4.5Å
38R90.1Very high90.8Very high117 Ų11757.7 Ų57.744%0.44231%0.309SS..THydrogen-bonded Turntrans63.65.5-177-53.6174.556.3-164.3-8115.5L14 S17 K18L14-R38 HydrophobicContact CD2-CB 4.12Å; L14-R38 PolarHBondContact O-NH1 3.45Å; S17-R38 VanDerWaalsContact O-CZ 3.26Å; S17-R38 PolarHBondContact O-NH1 2.85Å; S17-R38 PolarHBondContact O-NH2 3.05Å; K18-R38 PolarHBondContact O-NH2 2.81Å; K18-R38 VanDerWaalsContact O-NH2 3.14Å
39S92.8Very high90.9Very high7 Ų758.7 Ų58.75%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-72139.9171.7710000111.9L22 I36 P37 Y77L22-S39 CarbonylContact O-C 3.58Å; L22-S39 VanDerWaalsContact O-CA 3.31Å; L22-S39 WeakPolarHBondContact O-CA 3.17Å; I36-S39 WeakPolarHBondContact O-CB 3.33Å; I36-S39 PolarHBondContact O-N 3.32Å; I36-S39 VanDerWaalsContact O-N 3.15Å; I36-S39 PolarHBondContact O-OG 2.62Å; P37-S39 PolarHBondContact O-N 3.3Å; P37-S39 VanDerWaalsContact O-N 3.12Å; S39-Y77 WeakPolarHBondContact CB-OH 3.48Å; S39-Y77 PolarHBondContact OG-OH 3.37Å; S39-Y77 VanDerWaalsContact OG-OH 3.13Å
40T93.8Very high91Very high19 Ų1953.1 Ų53.112%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-97.3131.4166.2-60.50000109.4L22 I23 D24 I42 Y62 I64L22-T40 PolarHBondContact O-N 3.4Å; I23-T40 CarbonylContact C-O 3.53Å; I23-T40 WeakPolarHBondContact CA-O 3.2Å; D24-T40 PolarHBondContact N-O 2.85Å; T40-I42 HydrophobicContact CG2-CD1 4.36Å; T40-I42 HydrophobicContact CG2-CG1 4.08Å; T40-Y62 HydrophobicContact CG2-CD1 4.28Å; T40-Y62 HydrophobicContact CG2-CG 4.37Å; T40-I64 HydrophobicContact CG2-CD1 3.86Å; T40-I64 HydrophobicContact CG2-CG1 3.92Å; T40-I64 WeakPolarHBondContact OG1-CD1 3.45Å; T40-I64 WeakPolarHBondContact OG1-CG2 3.33Å
41H94.8Very high91.1Very high44 Ų4451.5 Ų51.520%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-86.1119.5179.1177.1-135.7000110.8D24 R26 T28 V31D24-H41 PolarHBondContact O-CD2 3.31Å; R26-H41 PolarHBondContact O-CD2 2.85Å; R26-H41 PolarHBondContact O-NE2 3.15Å; T28-H41 PolarHBondContact OG1-CE1 3.12Å; V31-H41 HydrophobicContact CG1-CB 4.18Å; V31-H41 HydrophobicContact CG2-CB 4.47Å; V31-H41 VanDerWaalsContact CG2-CD2 3.46Å; V31-H41 WeakPolarHBondContact CG2-CD2 3.31Å
42I93.8Very high91.2Very high1 Ų156.9 Ų56.91%0.00530%0.3CS..  trans-13996.8174.2-50.3-175.5000107I23 D24 V25 T40 V47 A50 F51 F58 Y62I23-I42 HydrophobicContact CD1-CD1 3.84Å; I23-I42 HydrophobicContact CD1-CG1 4.47Å; I23-I42 HydrophobicContact CG2-CB 3.78Å; I23-I42 HydrophobicContact CG2-CD1 4.02Å; I23-I42 HydrophobicContact CG2-CG1 3.94Å; D24-I42 CarbonylContact O-C 3.59Å; D24-I42 PolarHBondContact O-N 2.85Å; V25-I42 VanDerWaalsContact CA-O 3.26Å; V25-I42 WeakPolarHBondContact CA-O 3.47Å; V25-I42 WeakPolarHBondContact CG1-O 3.25Å; T40-I42 HydrophobicContact CG2-CD1 4.36Å; T40-I42 HydrophobicContact CG2-CG1 4.08Å; I42-V47 HydrophobicContact CB-CG2 4.5Å; I42-V47 HydrophobicContact CG2-CG2 3.9Å; I42-A50 HydrophobicContact CG2-CB 3.72Å; I42-F51 HydrophobicContact CD1-CE2 4.02Å; I42-F58 HydrophobicContact CD1-CE2 3.87Å; I42-F58 HydrophobicContact CD1-CZ 3.73Å; I42-Y62 HydrophobicContact CB-CE1 4.31Å; I42-Y62 HydrophobicContact CD1-CD1 4.24Å; I42-Y62 HydrophobicContact CD1-CD2 4.43Å; I42-Y62 HydrophobicContact CD1-CE1 4.3Å; I42-Y62 HydrophobicContact CD1-CE2 4.48Å; I42-Y62 HydrophobicContact CD1-CG 4.31Å; I42-Y62 HydrophobicContact CG1-CD1 3.78Å; I42-Y62 HydrophobicContact CG1-CE1 3.71Å; I42-Y62 HydrophobicContact CG1-CG 4.34Å; I42-Y62 HydrophobicContact CG2-CE1 4.24Å
43A93.4Very high91.3Very high16 Ų1653 Ų5313%0.13228%0.279CS..  trans-53.7143.7-178.700000112.1G45 T46 V47A43-G45 PolarHBondContact O-N 2.93Å; A43-T46 PolarHBondContact O-N 3.06Å; A43-T46 PolarHBondContact O-OG1 2.81Å; A43-V47 WeakPolarHBondContact O-CG2 3.31Å; A43-V47 PolarHBondContact O-N 3.29Å
44L91.6Very high91.6Very high17 Ų1746.4 Ų46.49%0.08926%0.255CS..Hα-helixtrans-50.8-36.7-177.717362.9000113.7V25 T46 R83 E86 A87 K90V25-L44 HydrophobicContact CB-CB 4.32Å; V25-L44 PolarHBondContact O-N 3.13Å; L44-T46 VanDerWaalsContact C-N 3.28Å; L44-T46 PolarHBondContact O-N 2.64Å; L44-R83 HydrophobicContact CD2-CB 3.87Å; L44-R83 HydrophobicContact CD2-CG 3.82Å; L44-E86 HydrophobicContact CD1-CB 3.98Å; L44-E86 HydrophobicContact CD1-CG 4.07Å; L44-E86 HydrophobicContact CD2-CB 4.38Å; L44-E86 WeakPolarHBondContact CD2-OE2 3.17Å; L44-A87 HydrophobicContact CD1-CB 3.85Å; L44-K90 HydrophobicContact CD1-CD 4.48Å
45G90.4Very high91.8Very high66 Ų6649.3 Ų49.368%0.6827%0.27SS*.Hα-helixtrans-68.2-24.5177.900000114.1A43A43-G45 PolarHBondContact O-N 2.93Å
46T91.3Very high91.8Very high62 Ų6250.1 Ų50.138%0.3828%0.28SS..Hα-helixtrans-103-10.4179.960.80000113.3A43 L44 E48 T49 A50A43-T46 PolarHBondContact O-N 3.06Å; A43-T46 PolarHBondContact O-OG1 2.81Å; L44-T46 VanDerWaalsContact C-N 3.28Å; L44-T46 PolarHBondContact O-N 2.64Å; T46-E48 VanDerWaalsContact C-N 3.31Å; T46-E48 PolarHBondContact O-N 2.92Å; T46-T49 PolarHBondContact O-N 2.91Å; T46-A50 VanDerWaalsContact O-CB 3.23Å; T46-A50 WeakPolarHBondContact O-CB 3.5Å; T46-A50 PolarHBondContact O-N 2.89Å
47V91.3Very high91.9Very high0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-50.4-48.2179167.50000111.9V25 I42 A43 T49 A50 F51 A87V25-V47 HydrophobicContact CG1-CG2 3.87Å; I42-V47 HydrophobicContact CB-CG2 4.5Å; I42-V47 HydrophobicContact CG2-CG2 3.9Å; A43-V47 WeakPolarHBondContact O-CG2 3.31Å; A43-V47 PolarHBondContact O-N 3.29Å; V47-T49 PolarHBondContact O-N 2.81Å; V47-A50 PolarHBondContact O-N 3.37Å; V47-F51 HydrophobicContact CG1-CD2 3.95Å; V47-F51 HydrophobicContact CG1-CE2 4.16Å; V47-F51 WeakPolarHBondContact O-CB 3.23Å; V47-F51 WeakPolarHBondContact O-CD2 3.34Å; V47-F51 PolarHBondContact O-N 3.19Å; V47-A87 HydrophobicContact CG1-CB 4.32Å; V47-A87 HydrophobicContact CG2-CB 4.17Å
48E90.6Very high92.1Very high81 Ų8150.7 Ų50.738%0.37928%0.278SS..Hα-helixtrans-62.8-46-177.6-170.7-175.8166.600112T46 F51 K52 L94T46-E48 VanDerWaalsContact C-N 3.31Å; T46-E48 PolarHBondContact O-N 2.92Å; E48-F51 PolarHBondContact O-N 2.76Å; E48-K52 HydrophobicContact CG-CD 4.16Å; E48-K52 WeakPolarHBondContact O-CB 3.42Å; E48-K52 VanDerWaalsContact O-CG 3.25Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.48Å; E48-K52 WeakPolarHBondContact OE1-CE 3.43Å; E48-K52 IonicContact OE1-NZ 2.62Å; E48-K52 PolarHBondContact OE1-NZ 3.34Å; E48-L94 HydrophobicContact CG-CD1 4.49Å
49T92.1Very high92.3Very high93 Ų9350.4 Ų50.457%0.57128%0.282SS*.Hα-helixtrans-66.7-41.5178.3-48.10000111.8T46 V47 F51 K52 M53T46-T49 PolarHBondContact O-N 2.91Å; V47-T49 PolarHBondContact O-N 2.81Å; T49-F51 PolarHBondContact O-N 3.43Å; T49-K52 PolarHBondContact O-N 3.3Å; T49-M53 PolarHBondContact O-N 2.86Å
50A91.8Very high92.3Very high0 Ų054.3 Ų54.30%032%0.315CS..Hα-helixtrans-57.6-47.2175.700000111.3I42 T46 V47 K52 M53 F58 Y62I42-A50 HydrophobicContact CG2-CB 3.72Å; T46-A50 VanDerWaalsContact O-CB 3.23Å; T46-A50 WeakPolarHBondContact O-CB 3.5Å; T46-A50 PolarHBondContact O-N 2.89Å; V47-A50 PolarHBondContact O-N 3.37Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.31Å; A50-M53 WeakPolarHBondContact O-CG 3.45Å; A50-F58 HydrophobicContact CB-CD2 4.46Å; A50-F58 HydrophobicContact CB-CE2 4.17Å; A50-F58 VanDerWaalsContact O-CD2 3.25Å; A50-F58 WeakPolarHBondContact O-CD2 3.25Å; A50-Y62 HydrophobicContact CB-CE2 3.67Å; A50-Y62 VanDerWaalsContact CB-OH 3.31Å; A50-Y62 WeakPolarHBondContact CB-OH 3.42Å
51F90.1Very high92.2Very high4 Ų457.6 Ų57.62%0.01834%0.335CS..Hα-helixtrans-79.4-14-178.3-76.2-104.7000112.8I23 I42 V47 E48 T49 K66 P67 L74 F76 L94 Y96I23-F51 HydrophobicContact CG1-CZ 4.35Å; I42-F51 HydrophobicContact CD1-CE2 4.02Å; V47-F51 HydrophobicContact CG1-CD2 3.95Å; V47-F51 HydrophobicContact CG1-CE2 4.16Å; V47-F51 WeakPolarHBondContact O-CB 3.23Å; V47-F51 WeakPolarHBondContact O-CD2 3.34Å; V47-F51 PolarHBondContact O-N 3.19Å; E48-F51 PolarHBondContact O-N 2.76Å; T49-F51 PolarHBondContact O-N 3.43Å; F51-K66 VanDerWaalsContact O-CE 3.24Å; F51-K66 WeakPolarHBondContact O-CE 3.3Å; F51-K66 PolarHBondContact O-NZ 2.97Å; F51-P67 HydrophobicContact CD1-CG 4.2Å; F51-P67 HydrophobicContact CE1-CG 3.48Å; F51-P67 VanDerWaalsContact CE1-CG 3.48Å; F51-P67 HydrophobicContact CZ-CG 4.14Å; F51-L74 HydrophobicContact CE1-CD2 4.16Å; F51-F76 HydrophobicContact CE1-CZ 4.01Å; F51-F76 HydrophobicContact CE2-CE1 4.02Å; F51-F76 HydrophobicContact CE2-CZ 4.09Å; F51-F76 AromaticContact CZ-CE1 3.81Å; F51-F76 HydrophobicContact CZ-CE1 3.81Å; F51-F76 AromaticContact CZ-CZ 3.48Å; F51-F76 HydrophobicContact CZ-CZ 3.48Å; F51-F76 VanDerWaalsContact CZ-CZ 3.48Å; F51-L94 HydrophobicContact CB-CD1 3.56Å; F51-Y96 HydrophobicContact CB-CE2 4.12Å; F51-Y96 HydrophobicContact CD1-CD1 4.34Å; F51-Y96 AromaticContact CD1-CD2 3.82Å; F51-Y96 HydrophobicContact CD1-CD2 3.82Å; F51-Y96 AromaticContact CD1-CE1 3.99Å; F51-Y96 HydrophobicContact CD1-CE1 3.99Å; F51-Y96 AromaticContact CD1-CE2 3.46Å; F51-Y96 HydrophobicContact CD1-CE2 3.46Å; F51-Y96 VanDerWaalsContact CD1-CE2 3.46Å; F51-Y96 HydrophobicContact CD1-CG 4.25Å; F51-Y96 AromaticContact CD1-CZ 3.53Å; F51-Y96 HydrophobicContact CE1-CD1 4.33Å; F51-Y96 HydrophobicContact CE1-CD2 4.49Å; F51-Y96 HydrophobicContact CE1-CE1 4.14Å; F51-Y96 HydrophobicContact CE1-CE2 4.35Å; F51-Y96 HydrophobicContact CE1-CG 4.49Å; F51-Y96 HydrophobicContact CG-CE2 4.28Å
52K90.8Very high92Very high125 Ų12557.9 Ų57.954%0.54334%0.335SS..Hα-helixtrans-85.9-24.6172-77176.8178.9-1800114.7E48 T49 A50 L94E48-K52 HydrophobicContact CG-CD 4.16Å; E48-K52 WeakPolarHBondContact O-CB 3.42Å; E48-K52 VanDerWaalsContact O-CG 3.25Å; E48-K52 WeakPolarHBondContact O-CG 3.45Å; E48-K52 PolarHBondContact O-N 3.48Å; E48-K52 WeakPolarHBondContact OE1-CE 3.43Å; E48-K52 IonicContact OE1-NZ 2.62Å; E48-K52 PolarHBondContact OE1-NZ 3.34Å; T49-K52 PolarHBondContact O-N 3.3Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.31Å; K52-L94 HydrophobicContact CD-CD2 4.27Å; K52-L94 VanDerWaalsContact CE-CD2 3.44Å; K52-L94 HydrophobicContact CG-CD1 4.16Å; K52-L94 HydrophobicContact CG-CD2 3.78Å
53M92.1Very high91.8Very high42 Ų4260.8 Ų60.821%0.20737%0.365CS..SBendtrans-68.8168.4-177.377.7-162.322.400112.9T49 A50 D57 F58 Y62 K66T49-M53 PolarHBondContact O-N 2.86Å; A50-M53 WeakPolarHBondContact O-CG 3.45Å; M53-D57 HydrophobicContact CB-CB 4.29Å; M53-D57 HydrophobicContact CG-CB 4.11Å; M53-D57 HydrophobicContact SD-CB 4.32Å; M53-F58 HydrophobicContact CG-CB 3.87Å; M53-F58 HydrophobicContact CG-CD2 4.33Å; M53-F58 WeakPolarHBondContact SD-CA 3.3Å; M53-F58 HydrophobicContact SD-CB 3.88Å; M53-F58 HydrophobicContact SD-CD2 3.99Å; M53-F58 HydrophobicContact SD-CG 4.39Å; M53-Y62 HydrophobicContact CE-CE2 4.43Å; M53-Y62 HydrophobicContact SD-CE2 3.94Å; M53-K66 PolarHBondContact O-NZ 2.97Å
54S92.9Very high91.6Very high40 Ų4061.9 Ų61.928%0.2837%0.368SS..  trans-64.8154177.876.50000111.3E56 D57 F58S54-E56 PolarHBondContact O-N 3.26Å; S54-D57 PolarHBondContact O-N 3.32Å; S54-D57 WeakPolarHBondContact OG-CB 3.39Å; S54-D57 PolarHBondContact OG-N 3.36Å; S54-D57 VanDerWaalsContact OG-N 3.08Å; S54-D57 PolarHBondContact OG-OD2 2.98Å; S54-F58 WeakPolarHBondContact O-CB 3.41Å; S54-F58 PolarHBondContact O-N 3.04Å
55P91.3Very high91.5Very high82 Ų8265 Ų6553%0.53239%0.39SS..Hα-helixtrans-56.4-34.6174.8-24.834.2000113.4Q59 K66P55-Q59 WeakPolarHBondContact O-CB 3.49Å; P55-Q59 PolarHBondContact O-N 3.04Å; P55-K66 HydrophobicContact CB-CB 4.12Å; P55-K66 HydrophobicContact CB-CD 4.43Å; P55-K66 HydrophobicContact CG-CD 4.23Å
56E92.9Very high91.5Very high158 Ų15864.4 Ų64.474%0.73837%0.369SS*.Hα-helixtrans-67.7-48.5179.3-61.1176.5128.600111.1S54 F58 Q59 A60S54-E56 PolarHBondContact O-N 3.26Å; E56-F58 VanDerWaalsContact C-N 3.32Å; E56-F58 PolarHBondContact O-N 3.47Å; E56-Q59 PolarHBondContact O-N 2.86Å; E56-A60 WeakPolarHBondContact O-CB 3.21Å; E56-A60 PolarHBondContact O-N 3.42Å
57D93.4Very high91.4Very high90 Ų9061.7 Ų61.748%0.48135%0.352SS..Hα-helixtrans-64-39177.3-63.9-41.7000111.7M53 S54 A60 T61M53-D57 HydrophobicContact CB-CB 4.29Å; M53-D57 HydrophobicContact CG-CB 4.11Å; M53-D57 HydrophobicContact SD-CB 4.32Å; S54-D57 PolarHBondContact O-N 3.32Å; S54-D57 WeakPolarHBondContact OG-CB 3.39Å; S54-D57 PolarHBondContact OG-N 3.36Å; S54-D57 VanDerWaalsContact OG-N 3.08Å; S54-D57 PolarHBondContact OG-OD2 2.98Å; D57-A60 PolarHBondContact O-N 3.31Å; D57-T61 VanDerWaalsContact O-CB 3.26Å; D57-T61 WeakPolarHBondContact O-CB 3.32Å; D57-T61 PolarHBondContact O-N 3.38Å; D57-T61 PolarHBondContact O-OG1 2.83Å
58F93.7Very high91.3Very high0 Ų064.2 Ų64.20%037%0.373CS..Hα-helixtrans-62.7-46.4177.7-172.8-86.8000111I42 A50 M53 S54 E56 T61 Y62 I64 K66I42-F58 HydrophobicContact CD1-CE2 3.87Å; I42-F58 HydrophobicContact CD1-CZ 3.73Å; A50-F58 HydrophobicContact CB-CD2 4.46Å; A50-F58 HydrophobicContact CB-CE2 4.17Å; A50-F58 VanDerWaalsContact O-CD2 3.25Å; A50-F58 WeakPolarHBondContact O-CD2 3.25Å; M53-F58 HydrophobicContact CG-CB 3.87Å; M53-F58 HydrophobicContact CG-CD2 4.33Å; M53-F58 WeakPolarHBondContact SD-CA 3.3Å; M53-F58 HydrophobicContact SD-CB 3.88Å; M53-F58 HydrophobicContact SD-CD2 3.99Å; M53-F58 HydrophobicContact SD-CG 4.39Å; S54-F58 WeakPolarHBondContact O-CB 3.41Å; S54-F58 PolarHBondContact O-N 3.04Å; E56-F58 VanDerWaalsContact C-N 3.32Å; E56-F58 PolarHBondContact O-N 3.47Å; F58-T61 PolarHBondContact O-N 3.45Å; F58-Y62 HydrophobicContact CD1-CD2 4.18Å; F58-Y62 AromaticContact CD2-CD2 3.53Å; F58-Y62 HydrophobicContact CD2-CD2 3.53Å; F58-Y62 AromaticContact CD2-CE2 3.77Å; F58-Y62 HydrophobicContact CD2-CE2 3.77Å; F58-Y62 HydrophobicContact CE1-CD2 4.24Å; F58-Y62 AromaticContact CE2-CD2 3.61Å; F58-Y62 HydrophobicContact CE2-CD2 3.61Å; F58-Y62 AromaticContact CE2-CE2 3.86Å; F58-Y62 HydrophobicContact CE2-CE2 3.86Å; F58-Y62 HydrophobicContact CE2-CG 4.49Å; F58-Y62 AromaticContact CG-CD2 3.86Å; F58-Y62 HydrophobicContact CG-CD2 3.86Å; F58-Y62 HydrophobicContact CG-CE2 4.46Å; F58-Y62 AromaticContact CZ-CD2 3.98Å; F58-Y62 HydrophobicContact CZ-CD2 3.98Å; F58-Y62 HydrophobicContact CZ-CG 4.49Å; F58-Y62 WeakPolarHBondContact O-CB 3.18Å; F58-Y62 WeakPolarHBondContact O-CD2 3.33Å; F58-Y62 PolarHBondContact O-N 3.4Å; F58-I64 WeakPolarHBondContact CD1-O 3.46Å; F58-I64 HydrophobicContact CE1-CD1 3.82Å; F58-I64 HydrophobicContact CE1-CG1 3.77Å; F58-I64 HydrophobicContact CZ-CD1 4.26Å; F58-K66 HydrophobicContact CB-CB 4Å; F58-K66 HydrophobicContact CB-CD 4.43Å; F58-K66 HydrophobicContact CB-CG 4.35Å; F58-K66 HydrophobicContact CD1-CB 3.75Å; F58-K66 HydrophobicContact CD1-CG 4.27Å; F58-K66 HydrophobicContact CD2-CG 4.41Å; F58-K66 HydrophobicContact CE1-CB 4.38Å; F58-K66 HydrophobicContact CG-CB 3.9Å; F58-K66 HydrophobicContact CG-CG 4.09Å
59Q92.4Very high91.1Very high111 Ų11164.7 Ų64.752%0.51938%0.377SS..Hα-helixtrans-66.3-39.1177.7-175172.8-13.400112.2P55 E56 T61 G63 I64P55-Q59 WeakPolarHBondContact O-CB 3.49Å; P55-Q59 PolarHBondContact O-N 3.04Å; E56-Q59 PolarHBondContact O-N 2.86Å; Q59-T61 VanDerWaalsContact C-N 3.34Å; Q59-G63 WeakPolarHBondContact O-CA 3.31Å; Q59-G63 PolarHBondContact O-N 3.41Å; Q59-I64 VanDerWaalsContact CA-O 3.27Å; Q59-I64 WeakPolarHBondContact CA-O 3.44Å
60A92.9Very high90.8Very high89 Ų8965.9 Ų65.974%0.73638%0.38SS*.Hα-helixtrans-64.9-37.1175.200000112.5E56 D57E56-A60 WeakPolarHBondContact O-CB 3.21Å; E56-A60 PolarHBondContact O-N 3.42Å; D57-A60 PolarHBondContact O-N 3.31Å
61T91.9Very high90.4Very high89 Ų8966.4 Ų66.455%0.54639%0.385SS..Hα-helixtrans-80.1-44.9-177-56.10000112.5D57 F58 Q59D57-T61 VanDerWaalsContact O-CB 3.26Å; D57-T61 WeakPolarHBondContact O-CB 3.32Å; D57-T61 PolarHBondContact O-N 3.38Å; D57-T61 PolarHBondContact O-OG1 2.83Å; F58-T61 PolarHBondContact O-N 3.45Å; Q59-T61 VanDerWaalsContact C-N 3.34Å
62Y91.1Very high89.9Confident49 Ų4971.2 Ų71.219%0.19242%0.416CS..Hα-helixtrans-106.9-8.9-170.2-60.7-68.9000113.8T40 I42 A50 M53 F58 I64T40-Y62 HydrophobicContact CG2-CD1 4.28Å; T40-Y62 HydrophobicContact CG2-CG 4.37Å; I42-Y62 HydrophobicContact CB-CE1 4.31Å; I42-Y62 HydrophobicContact CD1-CD1 4.24Å; I42-Y62 HydrophobicContact CD1-CD2 4.43Å; I42-Y62 HydrophobicContact CD1-CE1 4.3Å; I42-Y62 HydrophobicContact CD1-CE2 4.48Å; I42-Y62 HydrophobicContact CD1-CG 4.31Å; I42-Y62 HydrophobicContact CG1-CD1 3.78Å; I42-Y62 HydrophobicContact CG1-CE1 3.71Å; I42-Y62 HydrophobicContact CG1-CG 4.34Å; I42-Y62 HydrophobicContact CG2-CE1 4.24Å; A50-Y62 HydrophobicContact CB-CE2 3.67Å; A50-Y62 VanDerWaalsContact CB-OH 3.31Å; A50-Y62 WeakPolarHBondContact CB-OH 3.42Å; M53-Y62 HydrophobicContact CE-CE2 4.43Å; M53-Y62 HydrophobicContact SD-CE2 3.94Å; F58-Y62 HydrophobicContact CD1-CD2 4.18Å; F58-Y62 AromaticContact CD2-CD2 3.53Å; F58-Y62 HydrophobicContact CD2-CD2 3.53Å; F58-Y62 AromaticContact CD2-CE2 3.77Å; F58-Y62 HydrophobicContact CD2-CE2 3.77Å; F58-Y62 HydrophobicContact CE1-CD2 4.24Å; F58-Y62 AromaticContact CE2-CD2 3.61Å; F58-Y62 HydrophobicContact CE2-CD2 3.61Å; F58-Y62 AromaticContact CE2-CE2 3.86Å; F58-Y62 HydrophobicContact CE2-CE2 3.86Å; F58-Y62 HydrophobicContact CE2-CG 4.49Å; F58-Y62 AromaticContact CG-CD2 3.86Å; F58-Y62 HydrophobicContact CG-CD2 3.86Å; F58-Y62 HydrophobicContact CG-CE2 4.46Å; F58-Y62 AromaticContact CZ-CD2 3.98Å; F58-Y62 HydrophobicContact CZ-CD2 3.98Å; F58-Y62 HydrophobicContact CZ-CG 4.49Å; F58-Y62 WeakPolarHBondContact O-CB 3.18Å; F58-Y62 WeakPolarHBondContact O-CD2 3.33Å; F58-Y62 PolarHBondContact O-N 3.4Å; Y62-I64 PolarHBondContact O-N 3.06Å
63G89.3Confident89.7Confident63 Ų6367.5 Ų67.565%0.64940%0.401SS*.SBendtrans71.78.3179.100000114.4Q59Q59-G63 WeakPolarHBondContact O-CA 3.31Å; Q59-G63 PolarHBondContact O-N 3.41Å
64I89.8Confident89.7Confident38 Ų3865.5 Ų65.520%0.19539%0.391CS..SBendtrans-125.9148.2177.357.4150.4000110.4I21 I23 T40 F58 Q59 Y62I21-I64 HydrophobicContact CG2-CD1 4.07Å; I23-I64 HydrophobicContact CD1-CD1 4.28Å; T40-I64 HydrophobicContact CG2-CD1 3.86Å; T40-I64 HydrophobicContact CG2-CG1 3.92Å; T40-I64 WeakPolarHBondContact OG1-CD1 3.45Å; T40-I64 WeakPolarHBondContact OG1-CG2 3.33Å; F58-I64 WeakPolarHBondContact CD1-O 3.46Å; F58-I64 HydrophobicContact CE1-CD1 3.82Å; F58-I64 HydrophobicContact CE1-CG1 3.77Å; F58-I64 HydrophobicContact CZ-CD1 4.26Å; Q59-I64 VanDerWaalsContact CA-O 3.27Å; Q59-I64 WeakPolarHBondContact CA-O 3.44Å; Y62-I64 PolarHBondContact O-N 3.06Å
65P89.9Confident89.7Confident84 Ų8463.6 Ų63.655%0.54538%0.378SS..PPolyproline II helixtrans-60.2143.3173.526.4-34.1000110.1
66K89.6Confident89.8Confident53 Ų5359.7 Ų59.723%0.2335%0.352CS..PPolyproline II helixtrans-59.2128.9175.4-173.8175.2177.41760109.4F51 M53 P55 F58 A68 Y96F51-K66 VanDerWaalsContact O-CE 3.24Å; F51-K66 WeakPolarHBondContact O-CE 3.3Å; F51-K66 PolarHBondContact O-NZ 2.97Å; M53-K66 PolarHBondContact O-NZ 2.97Å; P55-K66 HydrophobicContact CB-CB 4.12Å; P55-K66 HydrophobicContact CB-CD 4.43Å; P55-K66 HydrophobicContact CG-CD 4.23Å; F58-K66 HydrophobicContact CB-CB 4Å; F58-K66 HydrophobicContact CB-CD 4.43Å; F58-K66 HydrophobicContact CB-CG 4.35Å; F58-K66 HydrophobicContact CD1-CB 3.75Å; F58-K66 HydrophobicContact CD1-CG 4.27Å; F58-K66 HydrophobicContact CD2-CG 4.41Å; F58-K66 HydrophobicContact CE1-CB 4.38Å; F58-K66 HydrophobicContact CG-CB 3.9Å; F58-K66 HydrophobicContact CG-CG 4.09Å; K66-A68 PolarHBondContact O-N 3.26Å; K66-Y96 WeakPolarHBondContact CE-OH 3.2Å
67P89.8Confident89.9Confident4 Ų452.2 Ų52.23%0.02632%0.317CS..PPolyproline II helixtrans-56.9138.9175.619.1-29.3000110.2I21 F51 A71 L74 Y96I21-P67 HydrophobicContact CD1-CB 3.61Å; I21-P67 HydrophobicContact CD1-CG 4.49Å; F51-P67 HydrophobicContact CD1-CG 4.2Å; F51-P67 HydrophobicContact CE1-CG 3.48Å; F51-P67 VanDerWaalsContact CE1-CG 3.48Å; F51-P67 HydrophobicContact CZ-CG 4.14Å; P67-A71 HydrophobicContact CB-CB 4.32Å; P67-L74 HydrophobicContact CB-CD1 4.21Å; P67-L74 HydrophobicContact CB-CD2 4.37Å; P67-L74 HydrophobicContact CG-CD1 4.25Å; P67-Y96 HydrophobicContact CB-CD1 4.48Å; P67-Y96 HydrophobicContact CB-CE1 3.86Å; P67-Y96 HydrophobicContact CG-CE1 3.8Å; P67-Y96 WeakPolarHBondContact O-CE1 3.46Å; P67-Y96 PolarHBondContact O-OH 2.96Å
68A88.8Confident89.8Confident53 Ų5347.9 Ų47.944%0.43829%0.294SS..PPolyproline II helixtrans-66.8153.8165.600000110K66 D70 A71 Y96K66-A68 PolarHBondContact O-N 3.26Å; A68-D70 VanDerWaalsContact CB-OD1 3.28Å; A68-D70 WeakPolarHBondContact CB-OD1 3.44Å; A68-D70 PolarHBondContact O-N 3.17Å; A68-A71 HydrophobicContact CB-CB 4.43Å; A68-A71 WeakPolarHBondContact O-CB 3.34Å; A68-A71 PolarHBondContact O-N 2.88Å; A68-A71 VanDerWaalsContact O-N 3.08Å; A68-Y96 WeakPolarHBondContact O-CE1 3.46Å
69L87.6Confident89.6Confident91 Ų9154.3 Ų54.348%0.47632%0.318SS..THydrogen-bonded Turntrans-62.2-28.6-179.1-65.3174.7000112.5L94 Y96L69-L94 WeakPolarHBondContact CD2-O 3.26Å; L69-Y96 HydrophobicContact CD2-CD1 4.27Å; L69-Y96 HydrophobicContact CD2-CD2 3.84Å; L69-Y96 HydrophobicContact CD2-CE1 4.06Å; L69-Y96 HydrophobicContact CD2-CE2 3.57Å; L69-Y96 HydrophobicContact CD2-CG 4.18Å
70D85Confident89.3Confident119 Ų11952.1 Ų52.164%0.63632%0.316SS*.THydrogen-bonded Turntrans-101.812.5178.865-23000113.1A68 P72A68-D70 VanDerWaalsContact CB-OD1 3.28Å; A68-D70 WeakPolarHBondContact CB-OD1 3.44Å; A68-D70 PolarHBondContact O-N 3.17Å; D70-P72 WeakPolarHBondContact O-CD 3.3Å
71A84.1Confident88.9Confident11 Ų1148.3 Ų48.39%0.09129%0.285CS..  trans-54.6114.5-179.300000110.3P67 A68 E73 L74 T98P67-A71 HydrophobicContact CB-CB 4.32Å; A68-A71 HydrophobicContact CB-CB 4.43Å; A68-A71 WeakPolarHBondContact O-CB 3.34Å; A68-A71 PolarHBondContact O-N 2.88Å; A68-A71 VanDerWaalsContact O-N 3.08Å; A71-E73 PolarHBondContact O-N 3.45Å; A71-E73 VanDerWaalsContact O-N 3.14Å; A71-L74 HydrophobicContact CB-CB 4.46Å; A71-T98 WeakPolarHBondContact O-CB 3.49Å; A71-T98 PolarHBondContact O-OG1 3.14Å
72P78.9Confident88.6Confident104 Ų10452.3 Ų52.368%0.67530%0.295SS*.THydrogen-bonded Turntrans-68.3-20.9-168.424.8-33.8000113D70D70-P72 WeakPolarHBondContact O-CD 3.3Å
73E86.2Confident88.5Confident47 Ų4752.5 Ų52.522%0.2230%0.295CS..THydrogen-bonded Turntrans-124.944.8-170.5-60.9-179.8151.100111.7L13 S17 L20 I21 A71L13-E73 HydrophobicContact CD2-CG 4.2Å; L13-E73 WeakPolarHBondContact CD2-OE1 3.47Å; S17-E73 WeakPolarHBondContact CB-OE2 3.2Å; S17-E73 PolarHBondContact OG-OE2 3.07Å; L20-E73 HydrophobicContact CD1-CB 4.26Å; L20-E73 PolarHBondContact N-OE2 3.2Å; I21-E73 PolarHBondContact N-O 2.45Å; A71-E73 PolarHBondContact O-N 3.45Å; A71-E73 VanDerWaalsContact O-N 3.14Å
74L91.8Very high88.5Confident0 Ų049.5 Ų49.50%026%0.264CS..EExtended strand (participates in β ladder)trans-88.6106.9170.3-179.761.4000110.2I21 I23 F51 P67 A71 F76 Y96 A99 R100I21-L74 HydrophobicContact CB-CD1 4.02Å; I21-L74 HydrophobicContact CG2-CD1 3.64Å; I23-L74 HydrophobicContact CG1-CD1 4.02Å; F51-L74 HydrophobicContact CE1-CD2 4.16Å; P67-L74 HydrophobicContact CB-CD1 4.21Å; P67-L74 HydrophobicContact CB-CD2 4.37Å; P67-L74 HydrophobicContact CG-CD1 4.25Å; A71-L74 HydrophobicContact CB-CB 4.46Å; L74-F76 HydrophobicContact CD1-CE2 3.93Å; L74-F76 HydrophobicContact CD1-CZ 4.15Å; L74-F76 HydrophobicContact CD2-CE2 3.73Å; L74-F76 HydrophobicContact CD2-CZ 4.12Å; L74-F76 HydrophobicContact CG-CD2 4.31Å; L74-F76 HydrophobicContact CG-CE2 3.55Å; L74-F76 HydrophobicContact CG-CZ 4.17Å; L74-Y96 HydrophobicContact CD2-CD1 3.59Å; L74-Y96 HydrophobicContact CD2-CE1 4.39Å; L74-Y96 HydrophobicContact CD2-CG 4.12Å; L74-A99 HydrophobicContact CD2-CB 4.16Å; L74-R100 PolarHBondContact O-N 2.77Å
75V93.3Very high88.4Confident1 Ų150 Ų501%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-118.7129.3-175.2-175.20000110.4V5 L10 L20 I21 L22 I23 R100V5-V75 HydrophobicContact CB-CG1 4.29Å; V5-V75 HydrophobicContact CG1-CG1 4.49Å; V5-V75 HydrophobicContact CG2-CG1 4.03Å; V5-V75 HydrophobicContact CG2-CG2 4.01Å; L10-V75 HydrophobicContact CD1-CG1 4.45Å; L20-V75 HydrophobicContact CD1-CB 4.36Å; L20-V75 HydrophobicContact CD1-CG2 3.81Å; I21-V75 PolarHBondContact O-N 3.23Å; L22-V75 CarbonylContact C-O 3.39Å; L22-V75 WeakPolarHBondContact CA-O 3.36Å; L22-V75 HydrophobicContact CD1-CB 3.88Å; L22-V75 HydrophobicContact CD1-CG1 3.82Å; I23-V75 PolarHBondContact N-O 2.72Å; V75-R100 WeakPolarHBondContact CA-O 3.36Å
76F93.9Very high88.5Confident0 Ų050.4 Ų50.40%027%0.269CS..EExtended strand (participates in β ladder)trans-108141.4174.6-65.6-100.4000110.7I23 V25 F51 L74 A87 I88 A91 A99 R100 N101 Y102I23-F76 HydrophobicContact CB-CD1 3.64Å; I23-F76 HydrophobicContact CB-CE1 3.83Å; I23-F76 HydrophobicContact CB-CG 4.27Å; I23-F76 HydrophobicContact CG1-CD1 4.26Å; I23-F76 HydrophobicContact CG1-CE1 4Å; I23-F76 HydrophobicContact CG1-CZ 4.36Å; I23-F76 HydrophobicContact CG2-CD1 3.75Å; I23-F76 HydrophobicContact CG2-CE1 3.79Å; I23-F76 WeakPolarHBondContact O-CA 3.22Å; V25-F76 HydrophobicContact CG1-CD1 3.84Å; F51-F76 HydrophobicContact CE1-CZ 4.01Å; F51-F76 HydrophobicContact CE2-CE1 4.02Å; F51-F76 HydrophobicContact CE2-CZ 4.09Å; F51-F76 AromaticContact CZ-CE1 3.81Å; F51-F76 HydrophobicContact CZ-CE1 3.81Å; F51-F76 AromaticContact CZ-CZ 3.48Å; F51-F76 HydrophobicContact CZ-CZ 3.48Å; F51-F76 VanDerWaalsContact CZ-CZ 3.48Å; L74-F76 HydrophobicContact CD1-CE2 3.93Å; L74-F76 HydrophobicContact CD1-CZ 4.15Å; L74-F76 HydrophobicContact CD2-CE2 3.73Å; L74-F76 HydrophobicContact CD2-CZ 4.12Å; L74-F76 HydrophobicContact CG-CD2 4.31Å; L74-F76 HydrophobicContact CG-CE2 3.55Å; L74-F76 HydrophobicContact CG-CZ 4.17Å; F76-A87 HydrophobicContact CD1-CB 3.96Å; F76-A87 HydrophobicContact CE1-CB 4.39Å; F76-I88 HydrophobicContact CB-CD1 4.13Å; F76-I88 HydrophobicContact CB-CG1 3.92Å; F76-I88 HydrophobicContact CD2-CD1 4.46Å; F76-I88 HydrophobicContact CD2-CG1 3.65Å; F76-I88 HydrophobicContact CE2-CG1 4.4Å; F76-I88 HydrophobicContact CG-CG1 3.94Å; F76-A91 HydrophobicContact CE2-CB 4.18Å; F76-A91 HydrophobicContact CZ-CB 3.88Å; F76-A99 HydrophobicContact CD2-CB 4.17Å; F76-A99 HydrophobicContact CE2-CB 3.75Å; F76-R100 PolarHBondContact N-O 3.02Å; F76-N101 PolarHBondContact O-OD1 3.2Å; F76-Y102 PolarHBondContact O-N 2.92Å
77Y94.6Very high88.6Confident0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-141.7157.8172.579.8-86.4000111.2L22 I23 D24 V25 I36 S39 Y102 Y106L22-Y77 HydrophobicContact CD1-CD1 3.55Å; L22-Y77 HydrophobicContact CD1-CE1 4.01Å; L22-Y77 HydrophobicContact CD2-CD1 4.19Å; L22-Y77 HydrophobicContact CD2-CE1 3.83Å; L22-Y77 HydrophobicContact CG-CD1 3.73Å; L22-Y77 HydrophobicContact CG-CE1 3.63Å; I23-Y77 WeakPolarHBondContact O-CD1 3.24Å; I23-Y77 PolarHBondContact O-N 2.87Å; D24-Y77 HydrophobicContact CB-CD1 4.47Å; D24-Y77 HydrophobicContact CB-CE1 3.68Å; D24-Y77 HydrophobicContact CB-CE2 4.06Å; D24-Y77 VanDerWaalsContact CB-CZ 3.44Å; D24-Y77 WeakPolarHBondContact CB-OH 3.28Å; D24-Y77 VanDerWaalsContact CG-CE2 3.5Å; D24-Y77 VanDerWaalsContact OD2-CE2 3.31Å; D24-Y77 WeakPolarHBondContact OD2-CE2 3.37Å; D24-Y77 PolarHBondContact OD2-OH 2.83Å; V25-Y77 WeakPolarHBondContact CG2-O 3.33Å; V25-Y77 PolarHBondContact N-O 2.96Å; I36-Y77 HydrophobicContact CB-CE1 4.27Å; I36-Y77 HydrophobicContact CD1-CD1 4.2Å; I36-Y77 HydrophobicContact CD1-CD2 3.87Å; I36-Y77 HydrophobicContact CD1-CE1 4.05Å; I36-Y77 HydrophobicContact CD1-CE2 3.77Å; I36-Y77 HydrophobicContact CD1-CG 4.09Å; I36-Y77 HydrophobicContact CG1-CD2 4.44Å; I36-Y77 HydrophobicContact CG1-CE1 4.26Å; I36-Y77 HydrophobicContact CG1-CE2 3.83Å; I36-Y77 PolarHBondContact N-OH 3.26Å; S39-Y77 WeakPolarHBondContact CB-OH 3.48Å; S39-Y77 PolarHBondContact OG-OH 3.37Å; S39-Y77 VanDerWaalsContact OG-OH 3.13Å; Y77-Y102 HydrophobicContact CG-CD1 4.45Å; Y77-Y106 HydrophobicContact CE2-CD2 4.45Å
78C90.9Very high88.7Confident0 Ų048 Ų480%026%0.258CS..  trans-132.9-141.1173.668.20000110.5V25 R26 G81 R83 S105 Y106V25-C78 HydrophobicContact CG2-CB 3.65Å; R26-C78 VanDerWaalsContact CG-C 3.46Å; R26-C78 HydrophobicContact CG-CB 4.23Å; C78-G81 VanDerWaalsContact SG-C 3.59Å; C78-G81 VanDerWaalsContact SG-CA 3.56Å; C78-G81 PolarHBondContact SG-N 3.22Å; C78-R83 HydrophobicContact CB-CB 3.72Å; C78-R83 PolarHBondContact SG-N 3.46Å; C78-S105 PolarHBondContact N-OG 3.15Å; C78-S105 VanDerWaalsContact N-OG 3.07Å; C78-S105 VanDerWaalsContact O-CB 3.28Å; C78-S105 WeakPolarHBondContact O-CB 3.41Å; C78-Y106 VanDerWaalsContact O-CB 3.25Å; C78-Y106 WeakPolarHBondContact O-CB 3.28Å; C78-Y106 PolarHBondContact O-N 2.9Å
79R89.6Confident88.7Confident134 Ų13448.3 Ų48.351%0.50626%0.257SS..SBendtrans-80.4-45.1171.6-172.4173.9172.6-156.33.7112.5R26 E30 R83 S105 L107R26-R79 HydrophobicContact CG-CB 4.39Å; E30-R79 WeakPolarHBondContact OE1-CD 3.34Å; R79-R83 VanDerWaalsContact CB-NH2 3.35Å; R79-S105 WeakPolarHBondContact O-CB 3.37Å; R79-L107 HydrophobicContact CG-CD1 4.22Å; R79-L107 HydrophobicContact CG-CG 4.01Å; R79-L107 WeakPolarHBondContact O-CB 3.36Å; R79-L107 WeakPolarHBondContact O-CG 3.31Å; R79-L107 PolarHBondContact O-N 3.07Å; R79-L107 VanDerWaalsContact O-N 3.13Å
80S87.3Confident88.9Confident66 Ų6646 Ų4646%0.46224%0.243SC..SBendtrans-139.718.8-168.358.60000114.7K82S80-K82 PolarHBondContact O-N 2.87Å
81G83.2Confident89.2Confident9 Ų940.3 Ų40.39%0.09321%0.213CC..SBendtrans86.9-18177.900000117C78 S84 A85 N101 S105C78-G81 VanDerWaalsContact SG-C 3.59Å; C78-G81 VanDerWaalsContact SG-CA 3.56Å; C78-G81 PolarHBondContact SG-N 3.22Å; G81-S84 WeakPolarHBondContact CA-OG 3.35Å; G81-S84 PolarHBondContact O-OG 2.8Å; G81-A85 PolarHBondContact O-N 2.77Å; G81-N101 PolarHBondContact O-ND2 3.37Å; G81-S105 WeakPolarHBondContact CA-OG 3.42Å; G81-S105 PolarHBondContact N-OG 3.13Å
82K85.9Confident89.4Confident172 Ų17243.8 Ų43.875%0.74822%0.224SC*.Hα-helixtrans-70.2-53-176.1-68-172.2178.5-176.20113.7S80 S84 A85 E86S80-K82 PolarHBondContact O-N 2.87Å; K82-S84 VanDerWaalsContact C-N 3.32Å; K82-S84 PolarHBondContact O-N 3.35Å; K82-A85 WeakPolarHBondContact O-CB 3.42Å; K82-A85 PolarHBondContact O-N 3.22Å; K82-E86 PolarHBondContact O-N 2.66Å
83R89.7Confident90Very high53 Ų5345.9 Ų45.920%0.222%0.224CC..Hα-helixtrans-66.7-34.6-178.8-71.5177.1-79176.8-2.9112.2V25 E30 L44 C78 R79 A85 E86 A87V25-R83 HydrophobicContact CG2-CB 3.97Å; E30-R83 IonicContact OE1-NH2 3.6Å; E30-R83 PolarHBondContact OE1-NH2 2.94Å; E30-R83 IonicContact OE2-CZ 3.86Å; E30-R83 VanDerWaalsContact OE2-CZ 3.26Å; E30-R83 IonicContact OE2-NH1 3.75Å; E30-R83 PolarHBondContact OE2-NH1 3.47Å; E30-R83 IonicContact OE2-NH2 3.03Å; E30-R83 PolarHBondContact OE2-NH2 3.38Å; L44-R83 HydrophobicContact CD2-CB 3.87Å; L44-R83 HydrophobicContact CD2-CG 3.82Å; C78-R83 HydrophobicContact CB-CB 3.72Å; C78-R83 PolarHBondContact SG-N 3.46Å; R79-R83 VanDerWaalsContact CB-NH2 3.35Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.49Å; R83-E86 PolarHBondContact O-N 3.26Å; R83-A87 PolarHBondContact O-N 3.09Å
84S88.3Confident90.2Very high0 Ų045.9 Ų45.90%023%0.226CC..Hα-helixtrans-67.8-31.8176.749.80000112.5G81 K82 A87 I88 N101G81-S84 WeakPolarHBondContact CA-OG 3.35Å; G81-S84 PolarHBondContact O-OG 2.8Å; K82-S84 VanDerWaalsContact C-N 3.32Å; K82-S84 PolarHBondContact O-N 3.35Å; S84-A87 PolarHBondContact O-N 3.42Å; S84-I88 VanDerWaalsContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CD1 3.28Å; S84-I88 WeakPolarHBondContact O-CG1 3.31Å; S84-I88 PolarHBondContact O-N 3.26Å; S84-N101 VanDerWaalsContact CB-OD1 3.25Å; S84-N101 WeakPolarHBondContact CB-OD1 3.46Å; S84-N101 PolarHBondContact OG-OD1 2.99Å
85A88.6Confident90.1Very high49 Ų4947.3 Ų47.341%0.40524%0.241SC..Hα-helixtrans-63.4-41.7172.100000112G81 K82 R83 I88 S89G81-A85 PolarHBondContact O-N 2.77Å; K82-A85 WeakPolarHBondContact O-CB 3.42Å; K82-A85 PolarHBondContact O-N 3.22Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.49Å; A85-I88 PolarHBondContact O-N 3.35Å; A85-S89 PolarHBondContact O-N 2.75Å; A85-S89 VanDerWaalsContact O-N 3.14Å
86E91.3Very high89.9Confident92 Ų9247.6 Ų47.643%0.4324%0.241SC..Hα-helixtrans-66.5-44175.8-169.2-172.1141.100111.9L44 K82 R83 I88 S89 K90L44-E86 HydrophobicContact CD1-CB 3.98Å; L44-E86 HydrophobicContact CD1-CG 4.07Å; L44-E86 HydrophobicContact CD2-CB 4.38Å; L44-E86 WeakPolarHBondContact CD2-OE2 3.17Å; K82-E86 PolarHBondContact O-N 2.66Å; R83-E86 PolarHBondContact O-N 3.26Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.11Å; E86-S89 WeakPolarHBondContact O-CB 3.45Å; E86-S89 PolarHBondContact O-N 3.19Å; E86-S89 VanDerWaalsContact O-N 3.09Å; E86-K90 PolarHBondContact O-N 2.68Å; E86-K90 VanDerWaalsContact OE1-CE 3.28Å; E86-K90 WeakPolarHBondContact OE1-CE 3.19Å; E86-K90 IonicContact OE1-NZ 2.77Å; E86-K90 PolarHBondContact OE1-NZ 3.27Å
87A91.5Very high89.6Confident0 Ų052.6 Ų52.60%027%0.272CS..Hα-helixtrans-58.1-39.2175.900000112.2V25 L44 V47 F76 R83 S84 K90 A91V25-A87 HydrophobicContact CB-CB 4.35Å; V25-A87 HydrophobicContact CG1-CB 3.74Å; V25-A87 HydrophobicContact CG2-CB 4.23Å; L44-A87 HydrophobicContact CD1-CB 3.85Å; V47-A87 HydrophobicContact CG1-CB 4.32Å; V47-A87 HydrophobicContact CG2-CB 4.17Å; F76-A87 HydrophobicContact CD1-CB 3.96Å; F76-A87 HydrophobicContact CE1-CB 4.39Å; R83-A87 PolarHBondContact O-N 3.09Å; S84-A87 PolarHBondContact O-N 3.42Å; A87-K90 PolarHBondContact O-N 2.99Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å
88I91.5Very high89.3Confident6 Ų654.5 Ų54.53%0.03128%0.283CS..Hα-helixtrans-66.9-38.2176.3-71.3161.8000111.6F76 S84 A85 E86 A91 R92 A99 R100 N101F76-I88 HydrophobicContact CB-CD1 4.13Å; F76-I88 HydrophobicContact CB-CG1 3.92Å; F76-I88 HydrophobicContact CD2-CD1 4.46Å; F76-I88 HydrophobicContact CD2-CG1 3.65Å; F76-I88 HydrophobicContact CE2-CG1 4.4Å; F76-I88 HydrophobicContact CG-CG1 3.94Å; S84-I88 VanDerWaalsContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CD1 3.28Å; S84-I88 WeakPolarHBondContact O-CG1 3.31Å; S84-I88 PolarHBondContact O-N 3.26Å; A85-I88 PolarHBondContact O-N 3.35Å; E86-I88 VanDerWaalsContact C-N 3.26Å; E86-I88 PolarHBondContact O-N 3.11Å; I88-A91 PolarHBondContact O-N 2.97Å; I88-R92 HydrophobicContact CG2-CG 4.24Å; I88-R92 VanDerWaalsContact CG2-NE 3.34Å; I88-R92 WeakPolarHBondContact O-CB 3.15Å; I88-R92 WeakPolarHBondContact O-CG 3.44Å; I88-R92 PolarHBondContact O-N 3.04Å; I88-A99 HydrophobicContact CG1-CB 4.37Å; I88-A99 HydrophobicContact CG2-CB 4.16Å; I88-R100 VanDerWaalsContact CD1-C 3.43Å; I88-R100 WeakPolarHBondContact CD1-O 3.2Å; I88-N101 HydrophobicContact CD1-CB 3.24Å
89S90.4Very high89.2Confident60 Ų6054.5 Ų54.542%0.4228%0.283SS..Hα-helixtrans-58.9-51.4174.4-162.70000110.3A85 E86 A91 R92 E93A85-S89 PolarHBondContact O-N 2.75Å; A85-S89 VanDerWaalsContact O-N 3.14Å; E86-S89 WeakPolarHBondContact O-CB 3.45Å; E86-S89 PolarHBondContact O-N 3.19Å; E86-S89 VanDerWaalsContact O-N 3.09Å; S89-A91 PolarHBondContact O-N 3.2Å; S89-R92 PolarHBondContact O-N 2.7Å; S89-E93 WeakPolarHBondContact O-CG 3.48Å; S89-E93 PolarHBondContact O-N 3.31Å; S89-E93 PolarHBondContact OG-OE1 3.26Å
90K91.6Very high89.3Confident43 Ų4350.1 Ų50.119%0.18727%0.267CS..Hα-helixtrans-58.3-46.1177.4-67.7175.8-179.8171.40111.8L44 E86 A87 R92 E93 L94L44-K90 HydrophobicContact CD1-CD 4.48Å; E86-K90 PolarHBondContact O-N 2.68Å; E86-K90 VanDerWaalsContact OE1-CE 3.28Å; E86-K90 WeakPolarHBondContact OE1-CE 3.19Å; E86-K90 IonicContact OE1-NZ 2.77Å; E86-K90 PolarHBondContact OE1-NZ 3.27Å; A87-K90 PolarHBondContact O-N 2.99Å; K90-R92 PolarHBondContact O-N 3.07Å; K90-E93 PolarHBondContact O-N 3.43Å; K90-L94 WeakPolarHBondContact O-CG 3.45Å; K90-L94 PolarHBondContact O-N 2.9Å
91A90.7Very high89.5Confident0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-62.5-41.717800000111.8F76 A87 I88 S89 E93 L94 G95 Y96 A99F76-A91 HydrophobicContact CE2-CB 4.18Å; F76-A91 HydrophobicContact CZ-CB 3.88Å; A87-A91 WeakPolarHBondContact O-CB 3.47Å; A87-A91 PolarHBondContact O-N 3.46Å; I88-A91 PolarHBondContact O-N 2.97Å; S89-A91 PolarHBondContact O-N 3.2Å; A91-E93 PolarHBondContact O-N 3.19Å; A91-L94 CarbonylContact O-C 3.44Å; A91-L94 WeakPolarHBondContact O-CA 3.25Å; A91-L94 WeakPolarHBondContact O-CB 3.29Å; A91-L94 PolarHBondContact O-N 3Å; A91-L94 VanDerWaalsContact O-N 3.07Å; A91-G95 PolarHBondContact O-N 3.48Å; A91-Y96 VanDerWaalsContact O-CB 3.31Å; A91-Y96 WeakPolarHBondContact O-CB 3.19Å; A91-Y96 WeakPolarHBondContact O-CD2 3.4Å; A91-Y96 PolarHBondContact O-N 3.46Å; A91-A99 HydrophobicContact CB-CB 4.48Å
92R89.3Confident90Very high84 Ų8447.4 Ų47.432%0.31725%0.245SC..Hα-helixtrans-66.5-37.2178.5-76.5173.2177.5-166.2-2.8113.1T2 I88 S89 K90 L94 G95 Y96 A99T2-R92 VanDerWaalsContact CG2-NH1 3.3Å; I88-R92 HydrophobicContact CG2-CG 4.24Å; I88-R92 VanDerWaalsContact CG2-NE 3.34Å; I88-R92 WeakPolarHBondContact O-CB 3.15Å; I88-R92 WeakPolarHBondContact O-CG 3.44Å; I88-R92 PolarHBondContact O-N 3.04Å; S89-R92 PolarHBondContact O-N 2.7Å; K90-R92 PolarHBondContact O-N 3.07Å; R92-L94 PolarHBondContact O-N 3.45Å; R92-G95 PolarHBondContact O-N 3.01Å; R92-Y96 VanDerWaalsContact CG-O 3.3Å; R92-Y96 WeakPolarHBondContact CG-O 3.5Å; R92-A99 PolarHBondContact NH2-O 3.43Å
93E90.8Very high90Very high147 Ų14742.8 Ų42.869%0.68723%0.231SC*.Hα-helixtrans-60.4-26.7172.4-72.3164.4-148.200111.8S89 K90 A91 G95S89-E93 WeakPolarHBondContact O-CG 3.48Å; S89-E93 PolarHBondContact O-N 3.31Å; S89-E93 PolarHBondContact OG-OE1 3.26Å; K90-E93 PolarHBondContact O-N 3.43Å; A91-E93 PolarHBondContact O-N 3.19Å; E93-G95 VanDerWaalsContact C-N 3.34Å
94L89.9Confident89.8Confident48 Ų4841.3 Ų41.325%0.25123%0.232SC..THydrogen-bonded Turntrans-88.23.2174.1-58.2173.2000113.9E48 F51 K52 L69 K90 A91 R92 Y96E48-L94 HydrophobicContact CG-CD1 4.49Å; F51-L94 HydrophobicContact CB-CD1 3.56Å; K52-L94 HydrophobicContact CD-CD2 4.27Å; K52-L94 VanDerWaalsContact CE-CD2 3.44Å; K52-L94 HydrophobicContact CG-CD1 4.16Å; K52-L94 HydrophobicContact CG-CD2 3.78Å; L69-L94 WeakPolarHBondContact CD2-O 3.26Å; K90-L94 WeakPolarHBondContact O-CG 3.45Å; K90-L94 PolarHBondContact O-N 2.9Å; A91-L94 CarbonylContact O-C 3.44Å; A91-L94 WeakPolarHBondContact O-CA 3.25Å; A91-L94 WeakPolarHBondContact O-CB 3.29Å; A91-L94 PolarHBondContact O-N 3Å; A91-L94 VanDerWaalsContact O-N 3.07Å; R92-L94 PolarHBondContact O-N 3.45Å; L94-Y96 HydrophobicContact CB-CD2 4.07Å; L94-Y96 HydrophobicContact CB-CE2 4.3Å
95G89.7Confident89.9Confident30 Ų3041.3 Ų41.331%0.30923%0.232SC..THydrogen-bonded Turntrans99.21.4177.100000115.5A91 R92 E93 V97A91-G95 PolarHBondContact O-N 3.48Å; R92-G95 PolarHBondContact O-N 3.01Å; E93-G95 VanDerWaalsContact C-N 3.34Å; G95-V97 PolarHBondContact O-N 3.27Å
96Y90.3Very high90.1Very high6 Ų641.1 Ų41.12%0.02422%0.222CC..  trans-7970.9177.2-67-89.7000111.7F51 K66 P67 A68 L69 L74 A91 R92 L94 T98 A99F51-Y96 HydrophobicContact CB-CE2 4.12Å; F51-Y96 HydrophobicContact CD1-CD1 4.34Å; F51-Y96 AromaticContact CD1-CD2 3.82Å; F51-Y96 HydrophobicContact CD1-CD2 3.82Å; F51-Y96 AromaticContact CD1-CE1 3.99Å; F51-Y96 HydrophobicContact CD1-CE1 3.99Å; F51-Y96 AromaticContact CD1-CE2 3.46Å; F51-Y96 HydrophobicContact CD1-CE2 3.46Å; F51-Y96 VanDerWaalsContact CD1-CE2 3.46Å; F51-Y96 HydrophobicContact CD1-CG 4.25Å; F51-Y96 AromaticContact CD1-CZ 3.53Å; F51-Y96 HydrophobicContact CE1-CD1 4.33Å; F51-Y96 HydrophobicContact CE1-CD2 4.49Å; F51-Y96 HydrophobicContact CE1-CE1 4.14Å; F51-Y96 HydrophobicContact CE1-CE2 4.35Å; F51-Y96 HydrophobicContact CE1-CG 4.49Å; F51-Y96 HydrophobicContact CG-CE2 4.28Å; K66-Y96 WeakPolarHBondContact CE-OH 3.2Å; P67-Y96 HydrophobicContact CB-CD1 4.48Å; P67-Y96 HydrophobicContact CB-CE1 3.86Å; P67-Y96 HydrophobicContact CG-CE1 3.8Å; P67-Y96 WeakPolarHBondContact O-CE1 3.46Å; P67-Y96 PolarHBondContact O-OH 2.96Å; A68-Y96 WeakPolarHBondContact O-CE1 3.46Å; L69-Y96 HydrophobicContact CD2-CD1 4.27Å; L69-Y96 HydrophobicContact CD2-CD2 3.84Å; L69-Y96 HydrophobicContact CD2-CE1 4.06Å; L69-Y96 HydrophobicContact CD2-CE2 3.57Å; L69-Y96 HydrophobicContact CD2-CG 4.18Å; L74-Y96 HydrophobicContact CD2-CD1 3.59Å; L74-Y96 HydrophobicContact CD2-CE1 4.39Å; L74-Y96 HydrophobicContact CD2-CG 4.12Å; A91-Y96 VanDerWaalsContact O-CB 3.31Å; A91-Y96 WeakPolarHBondContact O-CB 3.19Å; A91-Y96 WeakPolarHBondContact O-CD2 3.4Å; A91-Y96 PolarHBondContact O-N 3.46Å; R92-Y96 VanDerWaalsContact CG-O 3.3Å; R92-Y96 WeakPolarHBondContact CG-O 3.5Å; L94-Y96 HydrophobicContact CB-CD2 4.07Å; L94-Y96 HydrophobicContact CB-CE2 4.3Å; Y96-T98 VanDerWaalsContact C-N 3.25Å; Y96-T98 PolarHBondContact O-N 3.09Å; Y96-A99 WeakPolarHBondContact O-CB 3.4Å; Y96-A99 PolarHBondContact O-N 3.31Å
97V86.8Confident90Very high105 Ų10540.9 Ų40.964%0.63622%0.223SC*.THydrogen-bonded Turntrans-66.9-27.1-173.4-63.20000113.1G95 A99G95-V97 PolarHBondContact O-N 3.27Å; V97-A99 VanDerWaalsContact C-N 3.29Å; V97-A99 PolarHBondContact O-N 3.42Å
98T87.8Confident90Very high40 Ų4042.7 Ų42.725%0.24523%0.233CC..THydrogen-bonded Turntrans-81.9-3.6-179.755.50000113.3A71 Y96 R100A71-T98 WeakPolarHBondContact O-CB 3.49Å; A71-T98 PolarHBondContact O-OG1 3.14Å; Y96-T98 VanDerWaalsContact C-N 3.25Å; Y96-T98 PolarHBondContact O-N 3.09Å; T98-R100 VanDerWaalsContact O-CG 3.3Å; T98-R100 WeakPolarHBondContact O-CG 3.1Å; T98-R100 PolarHBondContact O-N 2.51Å
99A90.1Very high90.1Very high0 Ų043.6 Ų43.60%024%0.236CC..  trans-58.9125.8-179.900000112.1L74 F76 I88 A91 R92 Y96 V97L74-A99 HydrophobicContact CD2-CB 4.16Å; F76-A99 HydrophobicContact CD2-CB 4.17Å; F76-A99 HydrophobicContact CE2-CB 3.75Å; I88-A99 HydrophobicContact CG1-CB 4.37Å; I88-A99 HydrophobicContact CG2-CB 4.16Å; A91-A99 HydrophobicContact CB-CB 4.48Å; R92-A99 PolarHBondContact NH2-O 3.43Å; Y96-A99 WeakPolarHBondContact O-CB 3.4Å; Y96-A99 PolarHBondContact O-N 3.31Å; V97-A99 VanDerWaalsContact C-N 3.29Å; V97-A99 PolarHBondContact O-N 3.42Å
100R91.7Very high90Very high42 Ų4243 Ų4316%0.15823%0.232CC..EExtended strand (participates in β ladder)trans-117.4150.3-178.6-55.1-179.863.9-168.2-8.1112.4N3 P4 V5 E9 L74 V75 F76 I88 T98N3-R100 PolarHBondContact ND2-NH2 3.04Å; N3-R100 PolarHBondContact O-NE 3.07Å; N3-R100 VanDerWaalsContact O-NE 3.09Å; P4-R100 PolarHBondContact O-NH2 3.24Å; V5-R100 HydrophobicContact CG2-CB 3.65Å; V5-R100 HydrophobicContact CG2-CG 4.48Å; E9-R100 IonicContact OE1-CZ 3.13Å; E9-R100 IonicContact OE1-NH1 2.66Å; E9-R100 PolarHBondContact OE1-NH1 2.88Å; E9-R100 IonicContact OE1-NH2 2.77Å; E9-R100 PolarHBondContact OE1-NH2 3.47Å; E9-R100 IonicContact OE2-CZ 3.96Å; E9-R100 IonicContact OE2-NH2 2.99Å; E9-R100 PolarHBondContact OE2-NH2 2.81Å; L74-R100 PolarHBondContact O-N 2.77Å; V75-R100 WeakPolarHBondContact CA-O 3.36Å; F76-R100 PolarHBondContact N-O 3.02Å; I88-R100 VanDerWaalsContact CD1-C 3.43Å; I88-R100 WeakPolarHBondContact CD1-O 3.2Å; T98-R100 VanDerWaalsContact O-CG 3.3Å; T98-R100 WeakPolarHBondContact O-CG 3.1Å; T98-R100 PolarHBondContact O-N 2.51Å
101N91.3Very high90Very high17 Ų1751.4 Ų51.49%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-101.1122.7-179.5-163.60.2000111P4 V5 F76 G81 S84 I88 T103P4-N101 CarbonylContact C-O 3.52Å; P4-N101 VanDerWaalsContact CA-O 3.28Å; P4-N101 WeakPolarHBondContact CA-O 3.36Å; V5-N101 PolarHBondContact N-O 2.88Å; F76-N101 PolarHBondContact O-OD1 3.2Å; G81-N101 PolarHBondContact O-ND2 3.37Å; S84-N101 VanDerWaalsContact CB-OD1 3.25Å; S84-N101 WeakPolarHBondContact CB-OD1 3.46Å; S84-N101 PolarHBondContact OG-OD1 2.99Å; I88-N101 HydrophobicContact CD1-CB 3.24Å; N101-T103 HydrophobicContact CB-CG2 4.25Å; N101-T103 PolarHBondContact O-N 3.45Å
102Y92.9Very high90Very high1 Ų157.5 Ų57.50%0.00429%0.285CS..BIsolated β-bridgetrans-83.392.6160.5176.7-132.2000109.4V5 L10 I36 F76 Y77 G104 S105 D108 W109V5-Y102 WeakPolarHBondContact O-CD2 3.25Å; L10-Y102 HydrophobicContact CD2-CD1 3.49Å; L10-Y102 VanDerWaalsContact CD2-CD1 3.49Å; L10-Y102 HydrophobicContact CD2-CD2 4.21Å; L10-Y102 HydrophobicContact CD2-CE1 3.59Å; L10-Y102 HydrophobicContact CD2-CE2 4.32Å; L10-Y102 HydrophobicContact CD2-CG 3.83Å; I36-Y102 HydrophobicContact CD1-CD1 4.3Å; I36-Y102 HydrophobicContact CD1-CE1 4.05Å; F76-Y102 PolarHBondContact O-N 2.92Å; Y77-Y102 HydrophobicContact CG-CD1 4.45Å; Y102-G104 PolarHBondContact O-N 3.18Å; Y102-S105 VanDerWaalsContact CE1-N 3.31Å; Y102-S105 WeakPolarHBondContact CE1-O 3.44Å; Y102-S105 WeakPolarHBondContact O-CA 3.21Å; Y102-S105 PolarHBondContact O-N 3.47Å; Y102-S105 VanDerWaalsContact O-N 3.09Å; Y102-S105 PolarHBondContact O-OG 2.88Å; Y102-D108 PolarHBondContact OH-OD2 3.46Å; Y102-W109 HydrophobicContact CE1-CB 4.4Å; Y102-W109 PolarHBondContact OH-N 3.23Å
103T86.4Confident89.8Confident75 Ų7557.5 Ų57.546%0.4629%0.289SS..THydrogen-bonded Turntrans-67.3-34.5-172.751.90000112.9P4 N101 S105P4-T103 HydrophobicContact CB-CG2 3.88Å; N101-T103 HydrophobicContact CB-CG2 4.25Å; N101-T103 PolarHBondContact O-N 3.45Å; T103-S105 PolarHBondContact O-N 3.39Å
104G85Confident88.5Confident22 Ų2256 Ų5623%0.22731%0.313CS..THydrogen-bonded Turntrans-60.6-31172.500000112.5Y102 D108Y102-G104 PolarHBondContact O-N 3.18Å; G104-D108 VanDerWaalsContact O-CB 3.29Å; G104-D108 WeakPolarHBondContact O-CB 3.08Å; G104-D108 PolarHBondContact O-N 3.33Å; G104-D108 VanDerWaalsContact O-N 3.11Å
105S91.1Very high88.4Confident0 Ų056.4 Ų56.40%032%0.316CS..Hα-helixtrans53.9-164.7172.2-85.10000112.8C78 R79 G81 Y102 T103 L107 D108 W109C78-S105 PolarHBondContact N-OG 3.15Å; C78-S105 VanDerWaalsContact N-OG 3.07Å; C78-S105 VanDerWaalsContact O-CB 3.28Å; C78-S105 WeakPolarHBondContact O-CB 3.41Å; R79-S105 WeakPolarHBondContact O-CB 3.37Å; G81-S105 WeakPolarHBondContact CA-OG 3.42Å; G81-S105 PolarHBondContact N-OG 3.13Å; Y102-S105 VanDerWaalsContact CE1-N 3.31Å; Y102-S105 WeakPolarHBondContact CE1-O 3.44Å; Y102-S105 WeakPolarHBondContact O-CA 3.21Å; Y102-S105 PolarHBondContact O-N 3.47Å; Y102-S105 VanDerWaalsContact O-N 3.09Å; Y102-S105 PolarHBondContact O-OG 2.88Å; T103-S105 PolarHBondContact O-N 3.39Å; S105-L107 PolarHBondContact O-N 3.32Å; S105-D108 PolarHBondContact O-N 3.23Å; S105-W109 PolarHBondContact O-N 2.72Å
106Y91.8Very high88.4Confident45 Ų4557.8 Ų57.818%0.17632%0.316CS..Hα-helixtrans-60.4-29.9-176.5-173.4-106.8000113.5G34 I36 Y77 C78 W109 S110G34-Y106 VanDerWaalsContact C-OH 3.28Å; G34-Y106 WeakPolarHBondContact CA-OH 3.46Å; G34-Y106 WeakPolarHBondContact O-CE2 3.35Å; G34-Y106 VanDerWaalsContact O-CZ 3.3Å; G34-Y106 PolarHBondContact O-OH 2.98Å; I36-Y106 HydrophobicContact CG1-CD2 4.2Å; Y77-Y106 HydrophobicContact CE2-CD2 4.45Å; C78-Y106 VanDerWaalsContact O-CB 3.25Å; C78-Y106 WeakPolarHBondContact O-CB 3.28Å; C78-Y106 PolarHBondContact O-N 2.9Å; Y106-W109 PolarHBondContact O-N 2.87Å; Y106-S110 WeakPolarHBondContact O-CB 3.14Å; Y106-S110 PolarHBondContact O-N 3.47Å
107L89.6Confident88.3Confident87 Ų8760.7 Ų60.746%0.45533%0.332SS..Hα-helixtrans-64.5-44.8177.5-76.4172.4000113.2R79 S105 R111R79-L107 HydrophobicContact CG-CD1 4.22Å; R79-L107 HydrophobicContact CG-CG 4.01Å; R79-L107 WeakPolarHBondContact O-CB 3.36Å; R79-L107 WeakPolarHBondContact O-CG 3.31Å; R79-L107 PolarHBondContact O-N 3.07Å; R79-L107 VanDerWaalsContact O-N 3.13Å; S105-L107 PolarHBondContact O-N 3.32Å; L107-R111 WeakPolarHBondContact O-CB 3.45Å; L107-R111 PolarHBondContact O-N 3.1Å; L107-R111 VanDerWaalsContact O-N 3.1Å
108D92.4Very high88.4Confident39 Ų3958.1 Ų58.121%0.20931%0.314CS..Hα-helixtrans-68.7-39.4176.6-174.547.5000110.8Y7 Y102 G104 S105 R111 R112Y7-D108 WeakPolarHBondContact CB-OD2 3.43Å; Y102-D108 PolarHBondContact OH-OD2 3.46Å; G104-D108 VanDerWaalsContact O-CB 3.29Å; G104-D108 WeakPolarHBondContact O-CB 3.08Å; G104-D108 PolarHBondContact O-N 3.33Å; G104-D108 VanDerWaalsContact O-N 3.11Å; S105-D108 PolarHBondContact O-N 3.23Å; D108-R111 PolarHBondContact O-N 3.09Å; D108-R112 WeakPolarHBondContact O-CG 3.38Å; D108-R112 PolarHBondContact O-N 3.46Å; D108-R112 IonicContact OD1-CZ 3.86Å; D108-R112 IonicContact OD1-NE 2.72Å; D108-R112 PolarHBondContact OD1-NE 3.33Å; D108-R112 IonicContact OD1-NH2 3.26Å; D108-R112 IonicContact OD2-NE 2.87Å
109W91.8Very high88.4Confident25 Ų2559.2 Ų59.210%0.09532%0.319CS..Hα-helixtrans-60.4-54.1174.9-178.1-88.2000112.1Y7 L10 L14 I36 P37 Y102 S105 Y106 R111 R112 E113Y7-W109 AromaticContact CD2-CE3 3.98Å; Y7-W109 HydrophobicContact CD2-CE3 3.98Å; Y7-W109 HydrophobicContact CD2-CZ3 4.3Å; Y7-W109 AromaticContact CE2-CE3 3.94Å; Y7-W109 HydrophobicContact CE2-CE3 3.94Å; Y7-W109 HydrophobicContact CE2-CZ3 4.03Å; L10-W109 HydrophobicContact CD2-CE3 4.28Å; L10-W109 HydrophobicContact CD2-CZ3 4.49Å; L14-W109 HydrophobicContact CD1-CH2 3.43Å; L14-W109 VanDerWaalsContact CD1-CH2 3.43Å; L14-W109 HydrophobicContact CD1-CZ2 4.33Å; L14-W109 HydrophobicContact CD1-CZ3 3.62Å; I36-W109 HydrophobicContact CB-CD2 4.45Å; I36-W109 HydrophobicContact CD1-CB 3.91Å; I36-W109 HydrophobicContact CD1-CD2 3.96Å; I36-W109 HydrophobicContact CD1-CE3 4.21Å; I36-W109 HydrophobicContact CD1-CG 3.81Å; I36-W109 HydrophobicContact CG1-CB 4.14Å; I36-W109 HydrophobicContact CG1-CD2 3.88Å; I36-W109 HydrophobicContact CG1-CG 3.65Å; I36-W109 HydrophobicContact CG2-CD2 3.96Å; I36-W109 HydrophobicContact CG2-CE3 4.17Å; I36-W109 HydrophobicContact CG2-CH2 4.12Å; I36-W109 HydrophobicContact CG2-CZ2 3.89Å; I36-W109 HydrophobicContact CG2-CZ3 4.24Å; P37-W109 HydrophobicContact CG-CZ2 4.5Å; Y102-W109 HydrophobicContact CE1-CB 4.4Å; Y102-W109 PolarHBondContact OH-N 3.23Å; S105-W109 PolarHBondContact O-N 2.72Å; Y106-W109 PolarHBondContact O-N 2.87Å; W109-R111 PolarHBondContact O-N 2.98Å; W109-R112 PolarHBondContact O-N 3.38Å; W109-E113 HydrophobicContact CD2-CG 4.08Å; W109-E113 HydrophobicContact CE3-CG 4.44Å; W109-E113 HydrophobicContact CH2-CG 4.19Å; W109-E113 HydrophobicContact CZ2-CB 4.33Å; W109-E113 HydrophobicContact CZ2-CG 3.8Å; W109-E113 HydrophobicContact CZ3-CG 4.49Å; W109-E113 WeakPolarHBondContact O-CB 3.39Å; W109-E113 PolarHBondContact O-N 3.03Å
110S89.9Confident88.3Confident48 Ų4863.1 Ų63.134%0.33634%0.34SS..Hα-helixtrans-63.9-24.9-179.2179.20000113Y106 R112 G114Y106-S110 WeakPolarHBondContact O-CB 3.14Å; Y106-S110 PolarHBondContact O-N 3.47Å; S110-R112 VanDerWaalsContact C-N 3.35Å; S110-G114 WeakPolarHBondContact O-CA 3.29Å; S110-G114 PolarHBondContact O-N 3.11Å
111R90.8Very high88Confident218 Ų21864.6 Ų64.682%0.82335%0.353SS*.Hα-helixtrans-73.1-29.7174.2-177.7-179.6-68.2-162.1-1.6112.4L107 D108 W109L107-R111 WeakPolarHBondContact O-CB 3.45Å; L107-R111 PolarHBondContact O-N 3.1Å; L107-R111 VanDerWaalsContact O-N 3.1Å; D108-R111 PolarHBondContact O-N 3.09Å; W109-R111 PolarHBondContact O-N 2.98Å
112R89.8Confident87.8Confident128 Ų12868.3 Ų68.348%0.48337%0.373SS..Hα-helixtrans-96.9-30-174.6-66174-179.7-110.82.1113.3Y7 E8 D108 W109 S110Y7-R112 VanDerWaalsContact CD1-CD 3.48Å; Y7-R112 VanDerWaalsContact CD1-NH1 3.29Å; Y7-R112 HydrophobicContact CD2-CB 4.47Å; Y7-R112 VanDerWaalsContact CD2-CD 3.42Å; Y7-R112 HydrophobicContact CE2-CB 3.84Å; Y7-R112 HydrophobicContact CE2-CG 4.35Å; E8-R112 IonicContact OE1-NH1 2.98Å; D108-R112 WeakPolarHBondContact O-CG 3.38Å; D108-R112 PolarHBondContact O-N 3.46Å; D108-R112 IonicContact OD1-CZ 3.86Å; D108-R112 IonicContact OD1-NE 2.72Å; D108-R112 PolarHBondContact OD1-NE 3.33Å; D108-R112 IonicContact OD1-NH2 3.26Å; D108-R112 IonicContact OD2-NE 2.87Å; W109-R112 PolarHBondContact O-N 3.38Å; S110-R112 VanDerWaalsContact C-N 3.35Å
113E85.6Confident87.3Confident85 Ų8573.9 Ų73.940%0.39740%0.404SS..Hα-helixtrans-120.9-3.5-173.3-59.1-71.2153.800113.4Y7 K11 W109Y7-E113 HydrophobicContact CE2-CG 4.11Å; Y7-E113 PolarHBondContact OH-OE1 3.1Å; K11-E113 WeakPolarHBondContact CE-OE1 3.2Å; K11-E113 IonicContact NZ-OE1 2.72Å; K11-E113 PolarHBondContact NZ-OE1 2.73Å; W109-E113 HydrophobicContact CD2-CG 4.08Å; W109-E113 HydrophobicContact CE3-CG 4.44Å; W109-E113 HydrophobicContact CH2-CG 4.19Å; W109-E113 HydrophobicContact CZ2-CB 4.33Å; W109-E113 HydrophobicContact CZ2-CG 3.8Å; W109-E113 HydrophobicContact CZ3-CG 4.49Å; W109-E113 WeakPolarHBondContact O-CB 3.39Å; W109-E113 PolarHBondContact O-N 3.03Å
114G63.9Low87.4Confident115 Ų11573.8 Ų73.8100%1.18640%0.399SS*.  trans-91.90179.500000113.8S110S110-G114 WeakPolarHBondContact O-CA 3.29Å; S110-G114 PolarHBondContact O-N 3.11Å

Retrieved 114 of 114 residues in 169.1 ms (Link to these results)

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