A0A060W0H0_ONCMY Loading...

Cannabinoid receptor interacting protein 1a

AlphaFold DB , UniProt , Accession A0A060W0H0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486023, Length 163 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
1M43.2Very low80.6Confident239 Ų23977 Ų77100%1.17742%0.424SS*.  0117.30-68.1178-177.100105.6D3M1-D3 PolarHBondContact O-N 3.18Å
2V49Very low82.1Confident144 Ų14472.3 Ų72.387%0.87340%0.4SS*.  trans-67.9127.7177.2-177.60000106.3D4V2-D4 PolarHBondContact O-N 3.22Å; V2-D4 VanDerWaalsContact O-N 3.11Å
3D60.5Low83.4Confident102 Ų10266.7 Ų66.755%0.54537%0.369SS..  trans-58.2115.7178.2-87.2-54.7000110.4M1 V5 R152M1-D3 PolarHBondContact O-N 3.18Å; D3-V5 PolarHBondContact O-N 2.74Å; D3-R152 VanDerWaalsContact CB-NH2 3.33Å; D3-R152 IonicContact OD1-CZ 3.85Å; D3-R152 VanDerWaalsContact OD1-CZ 3.3Å; D3-R152 IonicContact OD1-NH1 3.7Å; D3-R152 PolarHBondContact OD1-NH1 2.99Å; D3-R152 IonicContact OD1-NH2 3.78Å; D3-R152 PolarHBondContact OD1-NH2 2.77Å; D3-R152 IonicContact OD2-CZ 2.64Å; D3-R152 IonicContact OD2-NH1 2.89Å; D3-R152 IonicContact OD2-NH2 3.88Å; D3-R152 PolarHBondContact OD2-NH2 3.41Å
4D78.6Confident84.5Confident81 Ų8162.6 Ų62.643%0.43335%0.349SS..  trans-74.125.2-179.8-175.534.3000112.3V2 N57 K112V2-D4 PolarHBondContact O-N 3.22Å; V2-D4 VanDerWaalsContact O-N 3.11Å; D4-N57 PolarHBondContact O-ND2 3.11Å; D4-N57 PolarHBondContact OD1-ND2 3.43Å; D4-K112 IonicContact OD2-NZ 3.76Å; D4-K112 PolarHBondContact OD2-NZ 2.93Å
5V84.6Confident85.4Confident20 Ų2058.7 Ų58.712%0.12133%0.327CS..SBendtrans-107.3118.7178.3-178.90000108D3 K112 A113 P148D3-V5 PolarHBondContact O-N 2.74Å; V5-K112 HydrophobicContact CG2-CB 3.61Å; V5-K112 WeakPolarHBondContact CG2-O 3.21Å; V5-A113 HydrophobicContact CG1-CB 3.75Å; V5-P148 HydrophobicContact CG1-CB 4.31Å; V5-P148 HydrophobicContact CG1-CG 3.98Å
6P88.8Confident86.2Confident10 Ų1059.4 Ų59.47%0.06533%0.326CS..  trans-56.8136.8177.5-27.737000111.9I8 I9 P55 N57P6-I8 WeakPolarHBondContact CB-O 3.33Å; P6-I8 PolarHBondContact O-N 2.72Å; P6-I9 HydrophobicContact CB-CG1 3.92Å; P6-I9 HydrophobicContact CG-CG1 4.32Å; P6-P55 HydrophobicContact CB-CG 3.51Å; P6-P55 HydrophobicContact CG-CG 3.32Å; P6-N57 WeakPolarHBondContact CG-OD1 3.24Å
7P92.3Very high86.9Confident105 Ų10558.3 Ų58.368%0.68232%0.318SS*.SBendtrans-67.7-23.7176.128.2-34.9000112.2K147P7-K147 WeakPolarHBondContact O-CG 3.03Å
8I95.9Very high87.5Confident72 Ų7258.1 Ų58.137%0.36932%0.315SS..  trans-135.6134.2175.1-61.6176.7000107.6P6 P55 E145 C146P6-I8 WeakPolarHBondContact CB-O 3.33Å; P6-I8 PolarHBondContact O-N 2.72Å; I8-P55 WeakPolarHBondContact O-CD 3.34Å; I8-E145 HydrophobicContact CG2-CG 3.58Å; I8-C146 CarbonylContact C-O 3.57Å; I8-C146 WeakPolarHBondContact CA-O 3.23Å
9I97.1Very high87.9Confident0 Ų060.6 Ų60.60%033%0.334CS..EExtended strand (participates in β ladder)trans-121.7118.4173.4-59.5172.8000107.2P6 I11 K54 A58 F110 A113 C146 P148 M155P6-I9 HydrophobicContact CB-CG1 3.92Å; P6-I9 HydrophobicContact CG-CG1 4.32Å; I9-I11 HydrophobicContact CG2-CG1 3.89Å; I9-K54 CarbonylContact C-O 3.57Å; I9-K54 WeakPolarHBondContact CA-O 3.49Å; I9-A58 HydrophobicContact CD1-CB 4.11Å; I9-A58 HydrophobicContact CG1-CB 4.2Å; I9-A58 HydrophobicContact CG2-CB 3.78Å; I9-F110 HydrophobicContact CD1-CD1 4.48Å; I9-F110 HydrophobicContact CD1-CE1 4.43Å; I9-F110 HydrophobicContact CG2-CE1 4.27Å; I9-A113 HydrophobicContact CD1-CB 3.7Å; I9-C146 PolarHBondContact N-O 3.48Å; I9-C146 WeakPolarHBondContact O-CB 3.18Å; I9-C146 PolarHBondContact O-N 2.8Å; I9-P148 HydrophobicContact CD1-CG 4.08Å; I9-M155 HydrophobicContact CD1-CE 3.75Å; I9-M155 HydrophobicContact CD1-SD 4.28Å
10N98.1Very high88.2Confident72 Ų7264.7 Ų64.739%0.38536%0.356SS..EExtended strand (participates in β ladder)trans-88.3129.3168.8-67.7-67.6000108.8M53 K54 Y144N10-M53 CarbonylContact O-C 3.47Å; N10-M53 VanDerWaalsContact O-CA 3.23Å; N10-M53 WeakPolarHBondContact O-CA 3.49Å; N10-K54 HydrophobicContact CB-CB 4.35Å; N10-K54 PolarHBondContact N-O 2.84Å; N10-K54 PolarHBondContact O-N 2.95Å; N10-Y144 CarbonylContact C-O 3.48Å; N10-Y144 VanDerWaalsContact CA-O 3.27Å; N10-Y144 WeakPolarHBondContact CA-O 3.33Å
11I98.5Very high88.6Confident2 Ų264.9 Ų64.91%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-121.3122.4-179.5-49.7171.8000107.7I9 I13 V51 M53 I108 F110 F116 E143 Y144I9-I11 HydrophobicContact CG2-CG1 3.89Å; I11-I13 HydrophobicContact CG2-CD1 4.15Å; I11-I13 HydrophobicContact CG2-CG1 3.86Å; I11-V51 HydrophobicContact CG2-CG1 3.93Å; I11-M53 HydrophobicContact CG1-CG 4.42Å; I11-M53 HydrophobicContact CG2-CG 4.26Å; I11-I108 HydrophobicContact CG2-CD1 4.09Å; I11-F110 HydrophobicContact CD1-CE2 4.21Å; I11-F110 HydrophobicContact CD1-CZ 3.77Å; I11-F110 HydrophobicContact CG1-CZ 4.34Å; I11-F116 HydrophobicContact CD1-CB 4.03Å; I11-F116 HydrophobicContact CD1-CD1 4.37Å; I11-F116 HydrophobicContact CD1-CD2 3.69Å; I11-F116 HydrophobicContact CD1-CE2 4.21Å; I11-F116 HydrophobicContact CD1-CG 3.77Å; I11-E143 CarbonylContact O-C 3.5Å; I11-E143 WeakPolarHBondContact O-CA 3.4Å; I11-Y144 PolarHBondContact N-O 2.8Å; I11-Y144 PolarHBondContact O-N 2.85Å
12S98.6Very high91.2Very high20 Ų2054.2 Ų54.214%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-112.2124.2172.6-172.20000109.1V51 V52 N141 I142S12-V51 CarbonylContact O-C 3.55Å; S12-V51 WeakPolarHBondContact O-CA 3.39Å; S12-V52 PolarHBondContact N-O 2.9Å; S12-V52 PolarHBondContact O-N 2.98Å; S12-N141 WeakPolarHBondContact OG-CB 3.4Å; S12-N141 PolarHBondContact OG-ND2 3.39Å; S12-I142 CarbonylContact C-O 3.57Å; S12-I142 WeakPolarHBondContact CA-O 3.3Å
13I98.7Very high93.4Very high0 Ų050.9 Ų50.90%029%0.289CS..EExtended strand (participates in β ladder)trans-119.2116-177.6-52.7174000109.6I11 V49 E50 M63 I108 F116 W120 N141 I142 Y144I11-I13 HydrophobicContact CG2-CD1 4.15Å; I11-I13 HydrophobicContact CG2-CG1 3.86Å; I13-V49 HydrophobicContact CG2-CG1 3.97Å; I13-E50 WeakPolarHBondContact CA-O 3.44Å; I13-M63 HydrophobicContact CD1-CE 3.92Å; I13-M63 HydrophobicContact CG2-CE 4.11Å; I13-I108 HydrophobicContact CD1-CD1 4.06Å; I13-F116 HydrophobicContact CD1-CE1 4.33Å; I13-W120 HydrophobicContact CB-CZ2 4.23Å; I13-W120 HydrophobicContact CD1-CZ2 3.92Å; I13-W120 HydrophobicContact CG2-CH2 3.69Å; I13-W120 HydrophobicContact CG2-CZ2 3.87Å; I13-N141 CarbonylContact O-C 3.52Å; I13-N141 WeakPolarHBondContact O-CA 2.85Å; I13-N141 WeakPolarHBondContact O-CB 3.12Å; I13-I142 PolarHBondContact N-O 3.11Å; I13-I142 PolarHBondContact O-N 2.93Å; I13-Y144 HydrophobicContact CD1-CD2 4.33Å; I13-Y144 HydrophobicContact CD1-CE2 4.11Å
14A98.6Very high95.2Very high10 Ų1046.1 Ų46.18%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-111.7150.7176.900000111.5V49 E50 V140 N141A14-V49 WeakPolarHBondContact O-CA 3.24Å; A14-E50 HydrophobicContact CB-CB 4.31Å; A14-E50 PolarHBondContact N-O 3.15Å; A14-E50 PolarHBondContact O-N 3.5Å; A14-V140 WeakPolarHBondContact CB-O 3.31Å; A14-N141 HydrophobicContact CB-CB 4.18Å
15L98.5Very high96.1Very high4 Ų443.3 Ų43.32%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-127.4130.9179.1-61.7174.9000110.1V24 I39 L41 K48 V49 W120 F139L15-V24 HydrophobicContact CB-CB 4.19Å; L15-V24 HydrophobicContact CB-CG1 4.34Å; L15-V24 HydrophobicContact CB-CG2 3.78Å; L15-V24 WeakPolarHBondContact O-CG2 3.5Å; L15-I39 HydrophobicContact CD1-CG2 4.19Å; L15-L41 HydrophobicContact CD1-CD2 4.17Å; L15-K48 WeakPolarHBondContact CA-O 3.34Å; L15-V49 HydrophobicContact CD2-CB 4.33Å; L15-V49 HydrophobicContact CD2-CG1 4.25Å; L15-V49 HydrophobicContact CD2-CG2 3.79Å; L15-W120 HydrophobicContact CD1-CZ3 4.09Å; L15-F139 HydrophobicContact CB-CD1 4.2Å; L15-F139 HydrophobicContact CB-CE1 3.99Å; L15-F139 HydrophobicContact CD1-CE1 4.11Å; L15-F139 HydrophobicContact CD1-CZ 4.47Å; L15-F139 HydrophobicContact CG-CE1 3.91Å
16K98.3Very high96.7Very high70 Ų7042.7 Ų42.730%0.30424%0.243SC..EExtended strand (participates in β ladder)trans-131.2127175.8-62177.5-176.6164.90110.6Q18 D21 G22 Y47 K48K16-Q18 PolarHBondContact O-N 3.26Å; K16-D21 HydrophobicContact CB-CB 4.36Å; K16-D21 HydrophobicContact CD-CB 4.08Å; K16-G22 CarbonylContact C-O 3.54Å; K16-G22 WeakPolarHBondContact CA-O 3.44Å; K16-Y47 CarbonylContact O-C 3.57Å; K16-Y47 WeakPolarHBondContact O-CA 3.49Å; K16-K48 PolarHBondContact N-O 3.1Å; K16-K48 PolarHBondContact O-N 3.07Å
17I97.5Very high96.9Very high40 Ų4044.9 Ų44.921%0.20525%0.252CS..EExtended strand (participates in β ladder)trans-70.7130179.8-168.5169.5000110.5D21 G22 L42 Y47I17-D21 CarbonylContact O-C 3.58Å; I17-D21 WeakPolarHBondContact O-CA 3.22Å; I17-D21 PolarHBondContact O-N 2.94Å; I17-G22 PolarHBondContact N-O 3.38Å; I17-G22 PolarHBondContact O-N 3.02Å; I17-L42 HydrophobicContact CD1-CD1 3.81Å; I17-Y47 HydrophobicContact CB-CD1 4.11Å; I17-Y47 HydrophobicContact CB-CE1 3.79Å; I17-Y47 HydrophobicContact CD1-CE1 4.27Å; I17-Y47 HydrophobicContact CG1-CD1 4.46Å; I17-Y47 HydrophobicContact CG1-CE1 3.96Å
18Q97.8Very high96.9Very high54 Ų5443.9 Ų43.925%0.25224%0.244SC..THydrogen-bonded Turntrans-86.7154.3179.5-66.7-57.2-67.900111.4K16 D21 K46 K48K16-Q18 PolarHBondContact O-N 3.26Å; Q18-D21 PolarHBondContact NE2-OD1 3.17Å; Q18-K46 HydrophobicContact CB-CB 3.99Å; Q18-K46 WeakPolarHBondContact CB-O 3.35Å; Q18-K46 HydrophobicContact CG-CB 4.43Å; Q18-K46 PolarHBondContact N-O 2.64Å; Q18-K48 HydrophobicContact CG-CB 4.25Å; Q18-K48 VanDerWaalsContact NE2-CB 3.32Å
19P95.6Very high96.6Very high106 Ų10641.3 Ų41.369%0.68823%0.231SC*.THydrogen-bonded Turncis-88.1-96.234.1-35.6000115.3D21P19-D21 PolarHBondContact O-N 3.14Å
20N94.5Very high96.2Very high143 Ų14343 Ų4377%0.76525%0.248SC*.THydrogen-bonded Turntrans-9514.6-166.5-60.5-34.8000114.4G22N20-G22 PolarHBondContact O-N 3.44Å
21D96.8Very high95.6Very high69 Ų6946.7 Ų46.737%0.36927%0.273SS..THydrogen-bonded Turntrans51.238.1-172.7-80.4-14.8000113.3K16 I17 Q18 P19 K48K16-D21 HydrophobicContact CB-CB 4.36Å; K16-D21 HydrophobicContact CD-CB 4.08Å; I17-D21 CarbonylContact O-C 3.58Å; I17-D21 WeakPolarHBondContact O-CA 3.22Å; I17-D21 PolarHBondContact O-N 2.94Å; Q18-D21 PolarHBondContact NE2-OD1 3.17Å; P19-D21 PolarHBondContact O-N 3.14Å; D21-K48 WeakPolarHBondContact OD1-CE 3.45Å; D21-K48 IonicContact OD1-NZ 3.69Å; D21-K48 PolarHBondContact OD1-NZ 2.82Å; D21-K48 IonicContact OD2-NZ 2.77Å; D21-K48 PolarHBondContact OD2-NZ 3.13Å
22G96.4Very high95Very high15 Ų1554.7 Ų54.716%0.15530%0.303CS..EExtended strand (participates in β ladder)trans-68.6162.8-176.300000113K16 I17 N20K16-G22 CarbonylContact C-O 3.54Å; K16-G22 WeakPolarHBondContact CA-O 3.44Å; I17-G22 PolarHBondContact N-O 3.38Å; I17-G22 PolarHBondContact O-N 3.02Å; N20-G22 PolarHBondContact O-N 3.44Å
23P96.8Very high94.5Very high73 Ų7356.1 Ų56.147%0.47431%0.307SS..EExtended strand (participates in β ladder)trans-69142.7-177.828-34000112.4F25P23-F25 HydrophobicContact CB-CE2 3.84Å; P23-F25 HydrophobicContact CB-CZ 4.01Å; P23-F25 HydrophobicContact CG-CE2 3.69Å; P23-F25 HydrophobicContact CG-CZ 3.81Å
24V97.9Very high93.8Very high3 Ų359.6 Ų59.62%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-95158.5160.1174.40000108.4L15 I39 L41 Y47 F139L15-V24 HydrophobicContact CB-CB 4.19Å; L15-V24 HydrophobicContact CB-CG1 4.34Å; L15-V24 HydrophobicContact CB-CG2 3.78Å; L15-V24 WeakPolarHBondContact O-CG2 3.5Å; V24-I39 HydrophobicContact CG1-CG2 3.95Å; V24-L41 HydrophobicContact CG1-CD2 3.94Å; V24-Y47 HydrophobicContact CG2-CD1 3.79Å; V24-Y47 HydrophobicContact CG2-CE1 3.73Å; V24-F139 HydrophobicContact CB-CB 4.09Å; V24-F139 HydrophobicContact CB-CD1 4.25Å; V24-F139 HydrophobicContact CB-CG 4.5Å; V24-F139 HydrophobicContact CG1-CB 3.98Å; V24-F139 HydrophobicContact CG1-CD1 4.17Å; V24-F139 HydrophobicContact CG1-CG 4.18Å; V24-F139 WeakPolarHBondContact O-CB 3.39Å; V24-F139 PolarHBondContact O-N 3.06Å
25F97.3Very high93.3Very high22 Ų2263.1 Ų63.110%0.09636%0.358CS..EExtended strand (participates in β ladder)trans-130154.1-177.3-64.7-99.3000111P23 K40 Q134 N137 K138P23-F25 HydrophobicContact CB-CE2 3.84Å; P23-F25 HydrophobicContact CB-CZ 4.01Å; P23-F25 HydrophobicContact CG-CE2 3.69Å; P23-F25 HydrophobicContact CG-CZ 3.81Å; F25-K40 WeakPolarHBondContact O-CB 3.35Å; F25-K40 PolarHBondContact O-N 3.02Å; F25-Q134 WeakPolarHBondContact CD1-O 3.37Å; F25-Q134 HydrophobicContact CD2-CB 4Å; F25-Q134 HydrophobicContact CD2-CG 4Å; F25-Q134 HydrophobicContact CE1-CB 4.48Å; F25-Q134 WeakPolarHBondContact CE1-O 3.46Å; F25-Q134 HydrophobicContact CE2-CB 3.7Å; F25-Q134 HydrophobicContact CE2-CG 3.61Å; F25-Q134 HydrophobicContact CZ-CB 3.96Å; F25-Q134 HydrophobicContact CZ-CG 4.26Å; F25-N137 CarbonylContact C-O 3.51Å; F25-N137 WeakPolarHBondContact CA-O 3.5Å; F25-N137 WeakPolarHBondContact CB-O 3.45Å; F25-N137 WeakPolarHBondContact CD1-O 3.38Å; F25-K138 HydrophobicContact CD1-CG 4.27Å; F25-K138 HydrophobicContact CE1-CG 3.8Å; F25-K138 HydrophobicContact CZ-CG 4.4Å
26F96.4Very high93Very high6 Ų665.7 Ų65.73%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-133161.8170.177.2-82.9000110.9V28 R37 T38 N137 K138 F139 F162F26-V28 HydrophobicContact CE2-CG2 4.05Å; F26-R37 HydrophobicContact CD2-CB 4.31Å; F26-R37 HydrophobicContact CD2-CG 4.44Å; F26-R37 HydrophobicContact CE2-CG 4.48Å; F26-T38 CarbonylContact C-O 3.54Å; F26-T38 WeakPolarHBondContact CA-O 3.19Å; F26-T38 VanDerWaalsContact CB-O 3.27Å; F26-T38 WeakPolarHBondContact CB-O 3.05Å; F26-N137 HydrophobicContact CD1-CB 3.92Å; F26-N137 HydrophobicContact CE1-CB 3.49Å; F26-N137 VanDerWaalsContact CE1-CB 3.49Å; F26-N137 HydrophobicContact CE2-CB 4.21Å; F26-N137 HydrophobicContact CG-CB 4.47Å; F26-N137 HydrophobicContact CZ-CB 3.64Å; F26-N137 PolarHBondContact N-O 2.88Å; F26-N137 PolarHBondContact O-N 2.92Å; F26-K138 VanDerWaalsContact CE1-O 3.31Å; F26-K138 WeakPolarHBondContact CE1-O 3.27Å; F26-F139 HydrophobicContact CB-CD2 4.27Å; F26-F139 HydrophobicContact CD1-CB 4.03Å; F26-F139 HydrophobicContact CD1-CD2 4.07Å; F26-F139 HydrophobicContact CG-CD2 4.46Å; F26-F162 HydrophobicContact CD2-CD1 4.32Å; F26-F162 HydrophobicContact CE2-CB 4.49Å; F26-F162 HydrophobicContact CG-CD1 4.37Å
27K93.9Very high92.8Very high56 Ų5666 Ų6624%0.24338%0.375CS..EExtended strand (participates in β ladder)trans-119.7150.9167.268.7170.8-61.7-159.90110.6D29 R37 T38K27-D29 VanDerWaalsContact CD-OD1 3.26Å; K27-D29 WeakPolarHBondContact CD-OD1 3.45Å; K27-D29 WeakPolarHBondContact CD-OD2 3.13Å; K27-D29 WeakPolarHBondContact CE-OD1 3.5Å; K27-D29 WeakPolarHBondContact CG-OD2 3.43Å; K27-D29 IonicContact NZ-OD1 2.61Å; K27-D29 PolarHBondContact NZ-OD1 3.17Å; K27-R37 CarbonylContact O-C 3.53Å; K27-R37 VanDerWaalsContact O-CA 3.25Å; K27-R37 WeakPolarHBondContact O-CA 3.47Å; K27-T38 PolarHBondContact N-O 2.98Å; K27-T38 PolarHBondContact O-N 2.81Å
28V92.9Very high92.8Very high85 Ų8564 Ų6452%0.51537%0.365SS..EExtended strand (participates in β ladder)trans-85.7119.9164.3-175.20000107.3F26F26-V28 HydrophobicContact CE2-CG2 4.05Å
29D88.7Confident92.8Very high17 Ų1761.5 Ų61.59%0.09135%0.353CS..  trans-101.7-13.4-179.4-84.9-58.9000112.9K27 R32 F33 S36 T38 R101K27-D29 VanDerWaalsContact CD-OD1 3.26Å; K27-D29 WeakPolarHBondContact CD-OD1 3.45Å; K27-D29 WeakPolarHBondContact CD-OD2 3.13Å; K27-D29 WeakPolarHBondContact CE-OD1 3.5Å; K27-D29 WeakPolarHBondContact CG-OD2 3.43Å; K27-D29 IonicContact NZ-OD1 2.61Å; K27-D29 PolarHBondContact NZ-OD1 3.17Å; D29-R32 WeakPolarHBondContact O-CB 3.46Å; D29-R32 PolarHBondContact O-N 3.43Å; D29-F33 HydrophobicContact CB-CD2 3.73Å; D29-F33 HydrophobicContact CB-CE2 4.28Å; D29-F33 VanDerWaalsContact CG-CD2 3.46Å; D29-F33 WeakPolarHBondContact OD1-CE2 3.36Å; D29-S36 PolarHBondContact N-O 3Å; D29-T38 WeakPolarHBondContact OD2-CB 3.04Å; D29-T38 PolarHBondContact OD2-OG1 3.43Å; D29-R101 IonicContact OD1-NH2 2.72Å; D29-R101 PolarHBondContact OD1-NH2 2.88Å; D29-R101 IonicContact OD2-NE 2.99Å; D29-R101 IonicContact OD2-NH2 3.67Å
30G87.9Confident92.9Very high35 Ų3557.1 Ų57.136%0.36132%0.323SS..G310 helixtrans63.1-139.2-174.900000111.3R32 S36G30-R32 VanDerWaalsContact C-N 3.27Å; G30-R32 PolarHBondContact O-N 3.35Å; G30-S36 PolarHBondContact N-O 2.82Å; G30-S36 VanDerWaalsContact O-CA 3.31Å; G30-S36 WeakPolarHBondContact O-CA 3.42Å
31T87.2Confident93.1Very high150 Ų15050.4 Ų50.492%0.9229%0.288SS*.G310 helixtrans-87.510.9-177.854.80000114F33T31-F33 VanDerWaalsContact C-N 3.35Å; T31-F33 PolarHBondContact O-N 3.02Å
32R85.7Confident93.1Very high171 Ų17147.6 Ų47.665%0.64527%0.272SS*.G310 helixtrans-70.9-28.6-173.4-176.8176.3170.9177.51.4113.7D29 G30D29-R32 WeakPolarHBondContact O-CB 3.46Å; D29-R32 PolarHBondContact O-N 3.43Å; G30-R32 VanDerWaalsContact C-N 3.27Å; G30-R32 PolarHBondContact O-N 3.35Å
33F87.9Confident93.1Very high49 Ų4948.1 Ų48.122%0.21527%0.273CS..SBendtrans-130-177.4-177.1-58.3-71.1000110.3D29 T31 Q35 G99 R101D29-F33 HydrophobicContact CB-CD2 3.73Å; D29-F33 HydrophobicContact CB-CE2 4.28Å; D29-F33 VanDerWaalsContact CG-CD2 3.46Å; D29-F33 WeakPolarHBondContact OD1-CE2 3.36Å; T31-F33 VanDerWaalsContact C-N 3.35Å; T31-F33 PolarHBondContact O-N 3.02Å; F33-Q35 PolarHBondContact O-N 2.73Å; F33-G99 WeakPolarHBondContact CE1-O 3.4Å; F33-G99 VanDerWaalsContact CZ-O 3.24Å; F33-G99 WeakPolarHBondContact CZ-O 3.43Å; F33-R101 HydrophobicContact CB-CG 4.43Å; F33-R101 HydrophobicContact CD1-CG 4.01Å; F33-R101 HydrophobicContact CD2-CG 4.04Å; F33-R101 HydrophobicContact CE1-CG 4.28Å; F33-R101 HydrophobicContact CE2-CG 4.34Å; F33-R101 HydrophobicContact CG-CG 3.9Å; F33-R101 HydrophobicContact CZ-CG 4.44Å
34G82.9Confident93.1Very high73 Ų7347.3 Ų47.375%0.75328%0.278SS*.SBendtrans-61.9-27.5-177.900000113.9
35Q89.4Confident93.1Very high84 Ų8448 Ų4839%0.39328%0.283SS..SBendtrans-126.8154.1173.4-60.5-63.7-1800111.6F33 R37 Q121F33-Q35 PolarHBondContact O-N 2.73Å; Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 3.34Å; Q35-Q121 HydrophobicContact CB-CB 3.66Å; Q35-Q121 HydrophobicContact CB-CG 4.42Å; Q35-Q121 HydrophobicContact CG-CB 3.93Å; Q35-Q121 PolarHBondContact O-NE2 2.98Å; Q35-Q121 PolarHBondContact O-OE1 3.09Å
36S91.4Very high93.1Very high58 Ų5852.7 Ų52.741%0.40630%0.303SS..SBendtrans-74.5-13.7-175.869.80000114.7D29 G30D29-S36 PolarHBondContact N-O 3Å; G30-S36 PolarHBondContact N-O 2.82Å; G30-S36 VanDerWaalsContact O-CA 3.31Å; G30-S36 WeakPolarHBondContact O-CA 3.42Å
37R94.6Very high93.2Very high76 Ų7652.6 Ų52.629%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-135.2146.2-178-60.7179.5-172.3-141.712.5110.1F26 K27 Q35 Q121 F162F26-R37 HydrophobicContact CD2-CB 4.31Å; F26-R37 HydrophobicContact CD2-CG 4.44Å; F26-R37 HydrophobicContact CE2-CG 4.48Å; K27-R37 CarbonylContact O-C 3.53Å; K27-R37 VanDerWaalsContact O-CA 3.25Å; K27-R37 WeakPolarHBondContact O-CA 3.47Å; Q35-R37 VanDerWaalsContact C-N 3.26Å; Q35-R37 PolarHBondContact O-N 3.34Å; R37-Q121 WeakPolarHBondContact O-CB 3.41Å; R37-Q121 PolarHBondContact O-NE2 3.33Å; R37-F162 HydrophobicContact CB-CD1 4.18Å; R37-F162 HydrophobicContact CB-CE1 4.1Å; R37-F162 HydrophobicContact CB-CE2 4.45Å; R37-F162 HydrophobicContact CB-CG 4.4Å; R37-F162 HydrophobicContact CB-CZ 4.24Å; R37-F162 VanDerWaalsContact CD-CG 3.4Å; R37-F162 PolarHBondContact NH1-O 3.37Å
38T96.3Very high93.4Very high0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-122.9123176.5-67.90000110.4F26 K27 D29 R101 Q121 K123F26-T38 CarbonylContact C-O 3.54Å; F26-T38 WeakPolarHBondContact CA-O 3.19Å; F26-T38 VanDerWaalsContact CB-O 3.27Å; F26-T38 WeakPolarHBondContact CB-O 3.05Å; K27-T38 PolarHBondContact N-O 2.98Å; K27-T38 PolarHBondContact O-N 2.81Å; D29-T38 WeakPolarHBondContact OD2-CB 3.04Å; D29-T38 PolarHBondContact OD2-OG1 3.43Å; T38-R101 VanDerWaalsContact CG2-CD 3.47Å; T38-R101 VanDerWaalsContact OG1-CD 3.31Å; T38-R101 WeakPolarHBondContact OG1-CD 3.47Å; T38-R101 PolarHBondContact OG1-NE 2.91Å; T38-Q121 CarbonylContact C-O 3.56Å; T38-Q121 VanDerWaalsContact CA-O 3.27Å; T38-Q121 WeakPolarHBondContact CA-O 3.31Å; T38-Q121 PolarHBondContact OG1-NE2 3.32Å; T38-K123 HydrophobicContact CG2-CB 3.71Å
39I97.7Very high93.7Very high0 Ų047.4 Ų47.40%027%0.273CS..EExtended strand (participates in β ladder)trans-75.5137.4167.5-51.2171.7000109.1L15 V24 L41 W120 Q121 V122 K123 F139 I142 F162L15-I39 HydrophobicContact CD1-CG2 4.19Å; V24-I39 HydrophobicContact CG1-CG2 3.95Å; I39-L41 HydrophobicContact CG2-CD2 3.93Å; I39-L41 HydrophobicContact CG2-CG 4.11Å; I39-W120 HydrophobicContact CD1-CB 4.02Å; I39-W120 HydrophobicContact CD1-CD2 3.61Å; I39-W120 HydrophobicContact CD1-CE3 3.59Å; I39-W120 HydrophobicContact CD1-CG 3.83Å; I39-W120 HydrophobicContact CD1-CZ3 4.29Å; I39-Q121 PolarHBondContact N-O 3.44Å; I39-V122 HydrophobicContact CB-CG2 4.36Å; I39-V122 CarbonylContact O-C 3.56Å; I39-V122 WeakPolarHBondContact O-CA 3.37Å; I39-K123 PolarHBondContact O-N 3.05Å; I39-F139 HydrophobicContact CD1-CE2 4.15Å; I39-F139 HydrophobicContact CD1-CZ 4.37Å; I39-F139 HydrophobicContact CG1-CE2 4.07Å; I39-I142 HydrophobicContact CD1-CD1 3.78Å; I39-F162 HydrophobicContact CD1-CE1 4.26Å; I39-F162 HydrophobicContact CG1-CE1 3.76Å; I39-F162 HydrophobicContact CG1-CZ 4.35Å
40K97.7Very high94.2Very high14 Ų1449 Ų496%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-110.1118.9-179.6-57.8-177.2175.4-172.90109.9F25 Y125 Q132 C133 F135F25-K40 WeakPolarHBondContact O-CB 3.35Å; F25-K40 PolarHBondContact O-N 3.02Å; K40-Y125 HydrophobicContact CB-CD2 4.29Å; K40-Y125 HydrophobicContact CB-CE2 3.89Å; K40-Y125 HydrophobicContact CD-CE2 3.96Å; K40-Y125 HydrophobicContact CG-CE2 3.88Å; K40-Q132 PolarHBondContact NZ-O 3.49Å; K40-C133 WeakPolarHBondContact CB-O 3.33Å; K40-C133 WeakPolarHBondContact CD-O 3.2Å; K40-F135 WeakPolarHBondContact CE-O 3.1Å; K40-F135 PolarHBondContact NZ-O 2.68Å
41L98.3Very high94.7Very high2 Ų247.4 Ų47.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-123.5153.8-179.9-57.3179.7000109.9L15 V24 I39 Y47 Y88 V122 K123 Y124 Y125L15-L41 HydrophobicContact CD1-CD2 4.17Å; V24-L41 HydrophobicContact CG1-CD2 3.94Å; I39-L41 HydrophobicContact CG2-CD2 3.93Å; I39-L41 HydrophobicContact CG2-CG 4.11Å; L41-Y47 HydrophobicContact CB-CE2 4.39Å; L41-Y47 HydrophobicContact CD2-CD1 4.18Å; L41-Y47 HydrophobicContact CD2-CE1 3.75Å; L41-Y47 HydrophobicContact CD2-CE2 4.33Å; L41-Y88 HydrophobicContact CD1-CE1 3.98Å; L41-V122 HydrophobicContact CB-CG1 4.33Å; L41-V122 HydrophobicContact CD1-CG1 3.86Å; L41-V122 HydrophobicContact CG-CG1 4Å; L41-K123 PolarHBondContact N-O 2.9Å; L41-Y124 HydrophobicContact CB-CD1 3.89Å; L41-Y124 HydrophobicContact CB-CE1 3.97Å; L41-Y124 HydrophobicContact CD1-CE1 3.85Å; L41-Y124 HydrophobicContact CG-CE1 4.5Å; L41-Y124 CarbonylContact O-C 3.57Å; L41-Y124 VanDerWaalsContact O-CA 3.31Å; L41-Y124 WeakPolarHBondContact O-CA 3.39Å; L41-Y125 PolarHBondContact O-N 3.01Å
42L97.9Very high95.2Very high10 Ų1042 Ų425%0.05223%0.23CC..EExtended strand (participates in β ladder)trans-91.5144.9169.4-65.4174.3000108.9I17 S45 Y47 T90 Y125 Y127 R130 C133I17-L42 HydrophobicContact CD1-CD1 3.81Å; L42-S45 WeakPolarHBondContact CB-OG 3.29Å; L42-Y47 PolarHBondContact N-OH 3.37Å; L42-T90 WeakPolarHBondContact O-CB 3.37Å; L42-T90 PolarHBondContact O-OG1 2.86Å; L42-Y125 CarbonylContact C-O 3.57Å; L42-Y125 VanDerWaalsContact CA-O 3.29Å; L42-Y125 WeakPolarHBondContact CA-O 3.42Å; L42-Y127 HydrophobicContact CD1-CD2 4.37Å; L42-R130 HydrophobicContact CD1-CB 4.26Å; L42-R130 HydrophobicContact CD2-CB 4.24Å; L42-C133 HydrophobicContact CD2-CB 3.83Å; L42-C133 HydrophobicContact CG-CB 4.47Å
43T97.1Very high95.8Very high27 Ų2733.8 Ų33.817%0.16620%0.199CC..SBendtrans-77.9149.3168.460.10000110.6S45 T90 V93 H95 Y125T43-S45 VanDerWaalsContact C-N 3.29Å; T43-S45 PolarHBondContact O-N 3.15Å; T43-T90 WeakPolarHBondContact CA-OG1 3.42Å; T43-V93 WeakPolarHBondContact CB-O 3.34Å; T43-V93 WeakPolarHBondContact CG2-O 3.31Å; T43-H95 HydrophobicContact CG2-CB 3.92Å; T43-Y125 PolarHBondContact N-O 3.39Å; T43-Y125 PolarHBondContact OG1-O 2.81Å
44G96.1Very high96.2Very high56 Ų5636.5 Ų36.558%0.57721%0.21SC*.SBendtrans62.836.4-179.900000112.8T90G44-T90 PolarHBondContact N-O 3.02Å; G44-T90 PolarHBondContact N-OG1 3.44Å
45S97.1Very high96.8Very high17 Ų1735.1 Ų35.112%0.11919%0.188CC..  trans-134149.1-177.5-65.70000110.3L42 T43 T90L42-S45 WeakPolarHBondContact CB-OG 3.29Å; T43-S45 VanDerWaalsContact C-N 3.29Å; T43-S45 PolarHBondContact O-N 3.15Å; S45-T90 PolarHBondContact N-OG1 2.86Å; S45-T90 PolarHBondContact O-N 2.79Å; S45-T90 PolarHBondContact O-OG1 2.77Å
46K98Very high97Very high121 Ų12131.1 Ų31.153%0.52617%0.17SC..EExtended strand (participates in β ladder)trans-99.3141.4177.4-69176.8176.3178.90110.4Q18 Y88 D89Q18-K46 HydrophobicContact CB-CB 3.99Å; Q18-K46 WeakPolarHBondContact CB-O 3.35Å; Q18-K46 HydrophobicContact CG-CB 4.43Å; Q18-K46 PolarHBondContact N-O 2.64Å; K46-Y88 CarbonylContact C-O 3.58Å; K46-Y88 WeakPolarHBondContact CA-O 3.49Å; K46-D89 WeakPolarHBondContact CE-OD2 3.48Å; K46-D89 HydrophobicContact CG-CB 4.3Å; K46-D89 IonicContact NZ-OD2 3.24Å
47Y98.6Very high97Very high4 Ų431 Ų312%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-124.6132.1177.4-64.6-89.8000109.2K16 I17 V24 L41 L42 H87 Y88 T90K16-Y47 CarbonylContact O-C 3.57Å; K16-Y47 WeakPolarHBondContact O-CA 3.49Å; I17-Y47 HydrophobicContact CB-CD1 4.11Å; I17-Y47 HydrophobicContact CB-CE1 3.79Å; I17-Y47 HydrophobicContact CD1-CE1 4.27Å; I17-Y47 HydrophobicContact CG1-CD1 4.46Å; I17-Y47 HydrophobicContact CG1-CE1 3.96Å; V24-Y47 HydrophobicContact CG2-CD1 3.79Å; V24-Y47 HydrophobicContact CG2-CE1 3.73Å; L41-Y47 HydrophobicContact CB-CE2 4.39Å; L41-Y47 HydrophobicContact CD2-CD1 4.18Å; L41-Y47 HydrophobicContact CD2-CE1 3.75Å; L41-Y47 HydrophobicContact CD2-CE2 4.33Å; L42-Y47 PolarHBondContact N-OH 3.37Å; Y47-H87 WeakPolarHBondContact O-CA 3.4Å; Y47-Y88 HydrophobicContact CD2-CD1 4.07Å; Y47-Y88 PolarHBondContact N-O 3.34Å; Y47-Y88 PolarHBondContact O-N 2.85Å; Y47-T90 HydrophobicContact CD2-CG2 4.13Å; Y47-T90 HydrophobicContact CE2-CG2 3.87Å
48K98.6Very high96.8Very high31 Ų3127.5 Ų27.514%0.13515%0.152CC..EExtended strand (participates in β ladder)trans-77.5124.2161.5178.9170.164.6-172.40107.3L15 K16 Q18 D21L15-K48 WeakPolarHBondContact CA-O 3.34Å; K16-K48 PolarHBondContact N-O 3.1Å; K16-K48 PolarHBondContact O-N 3.07Å; Q18-K48 HydrophobicContact CG-CB 4.25Å; Q18-K48 VanDerWaalsContact NE2-CB 3.32Å; D21-K48 WeakPolarHBondContact OD1-CE 3.45Å; D21-K48 IonicContact OD1-NZ 3.69Å; D21-K48 PolarHBondContact OD1-NZ 2.82Å; D21-K48 IonicContact OD2-NZ 2.77Å; D21-K48 PolarHBondContact OD2-NZ 3.13Å
49V98.7Very high96.5Very high0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-96.4125.2170.3-172.30000107I13 A14 L15 V51 M63 I65 L70 H85 G86I13-V49 HydrophobicContact CG2-CG1 3.97Å; A14-V49 WeakPolarHBondContact O-CA 3.24Å; L15-V49 HydrophobicContact CD2-CB 4.33Å; L15-V49 HydrophobicContact CD2-CG1 4.25Å; L15-V49 HydrophobicContact CD2-CG2 3.79Å; V49-V51 HydrophobicContact CG1-CG2 3.96Å; V49-M63 HydrophobicContact CG1-CE 4.49Å; V49-M63 HydrophobicContact CG1-SD 3.78Å; V49-I65 HydrophobicContact CG2-CD1 4.15Å; V49-L70 HydrophobicContact CG2-CD1 4.47Å; V49-L70 HydrophobicContact CG2-CD2 4.36Å; V49-H85 CarbonylContact O-C 3.59Å; V49-H85 VanDerWaalsContact O-CA 3.3Å; V49-H85 WeakPolarHBondContact O-CA 3.39Å; V49-G86 PolarHBondContact N-O 2.87Å; V49-G86 PolarHBondContact O-N 2.89Å
50E98.6Very high96.2Very high52 Ų5231 Ų3124%0.24317%0.172CC..EExtended strand (participates in β ladder)trans-112.4123.3170.6176.8174.992.100108.2I13 A14 V52 V83 Y84 H85I13-E50 WeakPolarHBondContact CA-O 3.44Å; A14-E50 HydrophobicContact CB-CB 4.31Å; A14-E50 PolarHBondContact N-O 3.15Å; A14-E50 PolarHBondContact O-N 3.5Å; E50-V52 HydrophobicContact CG-CG2 4.18Å; E50-V83 HydrophobicContact CG-CG1 4.13Å; E50-Y84 WeakPolarHBondContact CA-O 3.33Å; E50-H85 IonicContact OE2-CD2 3.3Å; E50-H85 IonicContact OE2-CE1 3.96Å; E50-H85 IonicContact OE2-NE2 2.74Å; E50-H85 PolarHBondContact OE2-NE2 2.89Å
51V98.6Very high95.9Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-114.9113.7178.9-174.30000107.7I11 S12 V49 M53 M63 L72 V83 Y84 I108I11-V51 HydrophobicContact CG2-CG1 3.93Å; S12-V51 CarbonylContact O-C 3.55Å; S12-V51 WeakPolarHBondContact O-CA 3.39Å; V49-V51 HydrophobicContact CG1-CG2 3.96Å; V51-M53 HydrophobicContact CG1-CG 3.9Å; V51-M53 HydrophobicContact CG1-SD 4.13Å; V51-M63 HydrophobicContact CG2-SD 4.16Å; V51-L72 HydrophobicContact CG2-CD1 4.49Å; V51-L72 HydrophobicContact CG2-CD2 3.97Å; V51-V83 WeakPolarHBondContact O-CA 3.49Å; V51-Y84 PolarHBondContact N-O 3.13Å; V51-Y84 PolarHBondContact O-N 3.13Å; V51-I108 HydrophobicContact CG1-CD1 4.07Å
52V98.4Very high95.8Very high36 Ų3634.8 Ų34.822%0.21820%0.202CC..EExtended strand (participates in β ladder)trans-106.5126.2174.1-175.30000108.3S12 E50 V82 V83S12-V52 PolarHBondContact N-O 2.9Å; S12-V52 PolarHBondContact O-N 2.98Å; E50-V52 HydrophobicContact CG-CG2 4.18Å; V52-V82 WeakPolarHBondContact CA-O 3.39Å; V52-V83 HydrophobicContact CG1-CG2 4.26Å; V52-V83 HydrophobicContact CG2-CG1 4.3Å; V52-V83 HydrophobicContact CG2-CG2 4.18Å
53M97.3Very high95.9Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-122.6144.6-179.5-57.9-177-70.100111.4N10 I11 V51 A58 A60 S81 V82 Y84 F110N10-M53 CarbonylContact O-C 3.47Å; N10-M53 VanDerWaalsContact O-CA 3.23Å; N10-M53 WeakPolarHBondContact O-CA 3.49Å; I11-M53 HydrophobicContact CG1-CG 4.42Å; I11-M53 HydrophobicContact CG2-CG 4.26Å; V51-M53 HydrophobicContact CG1-CG 3.9Å; V51-M53 HydrophobicContact CG1-SD 4.13Å; M53-A58 HydrophobicContact CB-CB 4.14Å; M53-A58 WeakPolarHBondContact CE-O 3.23Å; M53-A60 HydrophobicContact CE-CB 3.51Å; M53-A60 HydrophobicContact SD-CB 4.18Å; M53-S81 WeakPolarHBondContact O-CA 3.46Å; M53-S81 WeakPolarHBondContact O-CB 3.31Å; M53-V82 HydrophobicContact CB-CG1 3.92Å; M53-V82 HydrophobicContact CE-CG1 3.94Å; M53-V82 PolarHBondContact N-O 2.84Å; M53-V82 PolarHBondContact O-N 3.08Å; M53-Y84 HydrophobicContact CE-CD2 3.49Å; M53-Y84 VanDerWaalsContact CE-CD2 3.49Å; M53-Y84 HydrophobicContact CE-CE2 3.16Å; M53-F110 HydrophobicContact CE-CE1 4.11Å; M53-F110 HydrophobicContact SD-CD1 4.38Å; M53-F110 HydrophobicContact SD-CE1 3.23Å; M53-F110 WeakPolarHBondContact SD-CE1 3.46Å; M53-F110 HydrophobicContact SD-CZ 3.4Å; M53-F110 WeakPolarHBondContact SD-CZ 3.4Å
54K96.9Very high95.9Very high105 Ų10534.4 Ų34.446%0.45720%0.199SC..EExtended strand (participates in β ladder)trans-135.5133.9176.5-55.3-171.5177.5-1710109.9I9 N10 E80I9-K54 CarbonylContact C-O 3.57Å; I9-K54 WeakPolarHBondContact CA-O 3.49Å; N10-K54 HydrophobicContact CB-CB 4.35Å; N10-K54 PolarHBondContact N-O 2.84Å; N10-K54 PolarHBondContact O-N 2.95Å; K54-E80 WeakPolarHBondContact CB-O 3.29Å; K54-E80 WeakPolarHBondContact CG-O 3.43Å
55P95.6Very high96Very high44 Ų4431.8 Ų31.829%0.28617%0.172SC..SBendcis-75.3170.60.132.6-36.6000113.2P6 I8 N57 A58 E80P6-P55 HydrophobicContact CB-CG 3.51Å; P6-P55 HydrophobicContact CG-CG 3.32Å; I8-P55 WeakPolarHBondContact O-CD 3.34Å; P55-N57 WeakPolarHBondContact CG-OD1 3.27Å; P55-N57 PolarHBondContact O-N 2.85Å; P55-N57 VanDerWaalsContact O-N 3.15Å; P55-A58 WeakPolarHBondContact O-CB 3.4Å; P55-A58 PolarHBondContact O-N 2.85Å; P55-A58 VanDerWaalsContact O-N 3.13Å; P55-E80 WeakPolarHBondContact CA-O 3.3Å
56G93.5Very high96Very high1 Ų133 Ų331%0.0119%0.188CC..THydrogen-bonded Turntrans-68.8-11.5-170.100000116.1A58 K77 D78 E79 E80 S81G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.91Å; G56-K77 WeakPolarHBondContact O-CE 3.27Å; G56-D78 WeakPolarHBondContact CA-O 3.33Å; G56-E79 PolarHBondContact N-O 2.83Å; G56-E79 VanDerWaalsContact N-O 3.08Å; G56-E80 PolarHBondContact N-O 2.82Å; G56-S81 VanDerWaalsContact CA-C 3.49Å
57N90.8Very high95.9Very high55 Ų5530.2 Ų30.229%0.29419%0.193SC..THydrogen-bonded Turntrans-85.48.3172.267-24.7000113.9D4 P6 P55 D59D4-N57 PolarHBondContact O-ND2 3.11Å; D4-N57 PolarHBondContact OD1-ND2 3.43Å; P6-N57 WeakPolarHBondContact CG-OD1 3.24Å; P55-N57 WeakPolarHBondContact CG-OD1 3.27Å; P55-N57 PolarHBondContact O-N 2.85Å; P55-N57 VanDerWaalsContact O-N 3.15Å; N57-D59 PolarHBondContact O-N 3.06Å; N57-D59 VanDerWaalsContact O-N 3.1Å
58A90.8Very high95.9Very high2 Ų232.6 Ų32.62%0.01721%0.205CC..  trans-78.683170.300000111I9 M53 P55 G56 F110I9-A58 HydrophobicContact CD1-CB 4.11Å; I9-A58 HydrophobicContact CG1-CB 4.2Å; I9-A58 HydrophobicContact CG2-CB 3.78Å; M53-A58 HydrophobicContact CB-CB 4.14Å; M53-A58 WeakPolarHBondContact CE-O 3.23Å; P55-A58 WeakPolarHBondContact O-CB 3.4Å; P55-A58 PolarHBondContact O-N 2.85Å; P55-A58 VanDerWaalsContact O-N 3.13Å; G56-A58 VanDerWaalsContact C-N 3.28Å; G56-A58 PolarHBondContact O-N 2.91Å; A58-F110 HydrophobicContact CB-CE1 4.25Å
59D89.3Confident95.8Very high63 Ų6335.5 Ų35.534%0.33723%0.226SC..  trans-80.1125-177.2-65.2-38.3000112.6N57 K77 F110 G111N57-D59 PolarHBondContact O-N 3.06Å; N57-D59 VanDerWaalsContact O-N 3.1Å; D59-K77 IonicContact OD1-NZ 2.68Å; D59-K77 PolarHBondContact OD1-NZ 2.81Å; D59-K77 IonicContact OD2-NZ 3.01Å; D59-F110 WeakPolarHBondContact O-CA 3.46Å; D59-F110 WeakPolarHBondContact O-CD1 3.27Å; D59-G111 PolarHBondContact O-N 2.89Å
60A93.4Very high95.7Very high11 Ų1135.6 Ų35.69%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-119.4152.1174.100000111.8M53 L72 Y84 I108 E109 F110M53-A60 HydrophobicContact CE-CB 3.51Å; M53-A60 HydrophobicContact SD-CB 4.18Å; A60-L72 HydrophobicContact CB-CD1 3.97Å; A60-Y84 PolarHBondContact N-OH 2.87Å; A60-Y84 WeakPolarHBondContact O-CE1 3.49Å; A60-I108 HydrophobicContact CB-CG2 3.6Å; A60-E109 WeakPolarHBondContact CA-O 3.18Å; A60-F110 HydrophobicContact CB-CD1 4.31Å; A60-F110 HydrophobicContact CB-CE1 4.3Å
61A90.4Very high95.7Very high59 Ų5937.2 Ų37.249%0.48824%0.241SC..EExtended strand (participates in β ladder)trans-117.3-45.5-178.100000113.3L72 E109A61-L72 PolarHBondContact O-N 2.81Å; A61-E109 PolarHBondContact N-O 2.97Å; A61-E109 VanDerWaalsContact N-O 3.15Å
62T97.1Very high95.7Very high36 Ų3637.9 Ų37.922%0.22125%0.245CC..EExtended strand (participates in β ladder)trans-136.3153.7-174.270.20000110.3T69 I108 E109T62-T69 HydrophobicContact CG2-CG2 4.5Å; T62-I108 WeakPolarHBondContact O-CA 3.32Å; T62-E109 PolarHBondContact O-N 2.65Å; T62-E109 VanDerWaalsContact OG1-CD 3.23Å; T62-E109 WeakPolarHBondContact OG1-CG 3.2Å; T62-E109 PolarHBondContact OG1-OE2 2.94Å
63M98.3Very high95.6Very high0 Ų041.7 Ų41.70%026%0.26CS..EExtended strand (participates in β ladder)trans-126140.9169.3-178.3175.6-171.800108.9I13 V49 V51 I65 T69 L70 L72 V106 S107 I108 W120I13-M63 HydrophobicContact CD1-CE 3.92Å; I13-M63 HydrophobicContact CG2-CE 4.11Å; V49-M63 HydrophobicContact CG1-CE 4.49Å; V49-M63 HydrophobicContact CG1-SD 3.78Å; V51-M63 HydrophobicContact CG2-SD 4.16Å; M63-I65 HydrophobicContact CE-CD1 3.82Å; M63-I65 HydrophobicContact CE-CG1 3.82Å; M63-I65 HydrophobicContact CG-CG1 4.18Å; M63-I65 HydrophobicContact SD-CD1 4.14Å; M63-I65 HydrophobicContact SD-CG1 4.29Å; M63-T69 CarbonylContact O-C 3.53Å; M63-T69 WeakPolarHBondContact O-CA 3.41Å; M63-L70 HydrophobicContact CB-CD1 3.97Å; M63-L70 HydrophobicContact CB-CG 4.05Å; M63-L70 PolarHBondContact N-O 2.91Å; M63-L70 PolarHBondContact O-N 2.99Å; M63-L72 HydrophobicContact CB-CD1 4.17Å; M63-L72 HydrophobicContact CB-CD2 4.21Å; M63-L72 HydrophobicContact CB-CG 4.18Å; M63-V106 HydrophobicContact CE-CG1 3.31Å; M63-S107 CarbonylContact C-O 3.5Å; M63-S107 VanDerWaalsContact CA-O 3.24Å; M63-S107 WeakPolarHBondContact CA-O 3.41Å; M63-S107 WeakPolarHBondContact CG-O 3.45Å; M63-I108 HydrophobicContact CB-CG1 4.14Å; M63-I108 HydrophobicContact CE-CG1 4.5Å; M63-I108 HydrophobicContact CG-CG1 3.82Å; M63-I108 HydrophobicContact SD-CD1 4.43Å; M63-I108 HydrophobicContact SD-CG1 4.27Å; M63-W120 HydrophobicContact CE-CH2 3.9Å; M63-W120 HydrophobicContact CE-CZ2 4.26Å
64N98.5Very high95.7Very high29 Ų2946.5 Ų46.516%0.15528%0.283CS..EExtended strand (participates in β ladder)trans-109.4135.3169.1-170.3-85.5000109.5G67 I68 T69 V106 S107N64-G67 WeakPolarHBondContact OD1-CA 3.45Å; N64-G67 PolarHBondContact OD1-N 2.94Å; N64-I68 WeakPolarHBondContact CA-O 3.38Å; N64-T69 PolarHBondContact ND2-OG1 2.88Å; N64-V106 VanDerWaalsContact O-CA 3.27Å; N64-V106 WeakPolarHBondContact O-CA 3.45Å; N64-S107 WeakPolarHBondContact CB-OG 3.32Å; N64-S107 PolarHBondContact N-O 2.97Å; N64-S107 PolarHBondContact O-N 2.89Å
65I98.4Very high95.7Very high1 Ų146.2 Ų46.21%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-130.7108.2171.2-56.5177.3000107.8V49 M63 G67 I68 L70 Y88 V104 V106 W120V49-I65 HydrophobicContact CG2-CD1 4.15Å; M63-I65 HydrophobicContact CE-CD1 3.82Å; M63-I65 HydrophobicContact CE-CG1 3.82Å; M63-I65 HydrophobicContact CG-CG1 4.18Å; M63-I65 HydrophobicContact SD-CD1 4.14Å; M63-I65 HydrophobicContact SD-CG1 4.29Å; I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 2.82Å; I65-I68 PolarHBondContact N-O 3Å; I65-I68 PolarHBondContact O-N 2.81Å; I65-L70 HydrophobicContact CD1-CD2 3.88Å; I65-L70 HydrophobicContact CG1-CD2 4.16Å; I65-Y88 HydrophobicContact CB-CD2 3.78Å; I65-Y88 HydrophobicContact CB-CE2 3.62Å; I65-Y88 HydrophobicContact CB-CG 4.47Å; I65-Y88 HydrophobicContact CD1-CD1 4.48Å; I65-Y88 HydrophobicContact CD1-CD2 4.07Å; I65-Y88 HydrophobicContact CD1-CG 3.99Å; I65-Y88 HydrophobicContact CG1-CD2 4.42Å; I65-Y88 HydrophobicContact CG2-CD2 4.07Å; I65-Y88 HydrophobicContact CG2-CE1 4.11Å; I65-Y88 HydrophobicContact CG2-CE2 3.6Å; I65-Y88 WeakPolarHBondContact O-CE2 3.44Å; I65-V104 HydrophobicContact CG2-CG1 3.82Å; I65-V106 HydrophobicContact CG1-CG2 4.38Å; I65-V106 HydrophobicContact CG2-CG2 4.24Å; I65-W120 HydrophobicContact CD1-CZ3 4.21Å; I65-W120 HydrophobicContact CG2-CZ3 4.5Å
66G96.4Very high95.8Very high44 Ų4447 Ų4745%0.45429%0.289SS..THydrogen-bonded Turntrans60.533175.500000114.2Q105G66-Q105 PolarHBondContact N-O 3.27Å
67G95.9Very high96Very high61 Ų6151.3 Ų51.363%0.62931%0.308SS*.THydrogen-bonded Turntrans91-7.2-177.100000114.6N64 I65N64-G67 WeakPolarHBondContact OD1-CA 3.45Å; N64-G67 PolarHBondContact OD1-N 2.94Å; I65-G67 VanDerWaalsContact C-N 3.27Å; I65-G67 PolarHBondContact O-N 2.82Å
68I97.4Very high96.2Very high54 Ų5453 Ų5328%0.27732%0.317SS..EExtended strand (participates in β ladder)trans-93113.1174.2-63.1156.1000108.7N64 I65 Y88 D89 V93N64-I68 WeakPolarHBondContact CA-O 3.38Å; I65-I68 PolarHBondContact N-O 3Å; I65-I68 PolarHBondContact O-N 2.81Å; I68-Y88 HydrophobicContact CB-CD2 4.33Å; I68-Y88 HydrophobicContact CB-CE2 4.02Å; I68-Y88 HydrophobicContact CD1-CD2 4.36Å; I68-Y88 HydrophobicContact CD1-CE2 3.55Å; I68-Y88 HydrophobicContact CG1-CE2 4.38Å; I68-Y88 HydrophobicContact CG2-CD2 4.23Å; I68-Y88 HydrophobicContact CG2-CE2 4.37Å; I68-D89 VanDerWaalsContact CD1-O 3.29Å; I68-D89 WeakPolarHBondContact CD1-O 3.47Å; I68-V93 HydrophobicContact CD1-CG2 4.09Å
69T97.5Very high96.3Very high92 Ų9261.7 Ų61.756%0.56436%0.357SS*.EExtended strand (participates in β ladder)trans-87.1126.2174.7-58.70000110T62 M63 N64T62-T69 HydrophobicContact CG2-CG2 4.5Å; M63-T69 CarbonylContact O-C 3.53Å; M63-T69 WeakPolarHBondContact O-CA 3.41Å; N64-T69 PolarHBondContact ND2-OG1 2.88Å
70L96.9Very high96.6Very high3 Ų365.6 Ų65.62%0.01637%0.374CS..EExtended strand (participates in β ladder)trans-119.9136.6176.660.5107.4000110.6V49 M63 I65 L72 H87 Y88V49-L70 HydrophobicContact CG2-CD1 4.47Å; V49-L70 HydrophobicContact CG2-CD2 4.36Å; M63-L70 HydrophobicContact CB-CD1 3.97Å; M63-L70 HydrophobicContact CB-CG 4.05Å; M63-L70 PolarHBondContact N-O 2.91Å; M63-L70 PolarHBondContact O-N 2.99Å; I65-L70 HydrophobicContact CD1-CD2 3.88Å; I65-L70 HydrophobicContact CG1-CD2 4.16Å; L70-L72 HydrophobicContact CD1-CD2 3.92Å; L70-H87 WeakPolarHBondContact CB-O 3.23Å; L70-Y88 HydrophobicContact CD2-CD2 4.26Å
71P97.8Very high96.8Very high85 Ų8566 Ų6655%0.55238%0.376SS*.EExtended strand (participates in β ladder)trans-68.4145.8172.430.1-34000110.1
72L98.3Very high97.2Very high14 Ų1463.2 Ų63.27%0.07335%0.353CS..  trans-103.2112.5172.5-70.9-179.4000109.5V51 A60 A61 M63 L70 Y84 I108V51-L72 HydrophobicContact CG2-CD1 4.49Å; V51-L72 HydrophobicContact CG2-CD2 3.97Å; A60-L72 HydrophobicContact CB-CD1 3.97Å; A61-L72 PolarHBondContact O-N 2.81Å; M63-L72 HydrophobicContact CB-CD1 4.17Å; M63-L72 HydrophobicContact CB-CD2 4.21Å; M63-L72 HydrophobicContact CB-CG 4.18Å; L70-L72 HydrophobicContact CD1-CD2 3.92Å; L72-Y84 HydrophobicContact CB-CD1 3.9Å; L72-Y84 HydrophobicContact CB-CG 4.1Å; L72-I108 HydrophobicContact CD1-CG2 4.14Å
73E97.9Very high97.2Very high116 Ų11662.6 Ų62.654%0.54235%0.349SS..EExtended strand (participates in β ladder)trans-93.6118.5178.5-65.6-179.1-174.300110.1Q75 Y84 H85E73-Q75 PolarHBondContact O-N 2.88Å; E73-Q75 PolarHBondContact O-NE2 2.82Å; E73-Y84 CarbonylContact O-C 3.54Å; E73-Y84 VanDerWaalsContact O-CA 3.31Å; E73-Y84 WeakPolarHBondContact O-CA 3.46Å; E73-H85 PolarHBondContact N-O 2.76Å; E73-H85 PolarHBondContact O-N 2.8Å
74Q97.9Very high97.2Very high102 Ų10263 Ų6348%0.47735%0.351SS..EExtended strand (participates in β ladder)trans-64.7126.5179.2-168.4-170.1-7500110.5V82 Y84Q74-V82 HydrophobicContact CG-CG2 3.93Å; Q74-Y84 HydrophobicContact CB-CD1 3.9Å; Q74-Y84 HydrophobicContact CB-CE1 3.68Å; Q74-Y84 HydrophobicContact CG-CD1 4.48Å; Q74-Y84 HydrophobicContact CG-CE1 4.1Å
75Q98Very high97.2Very high98 Ų9863.4 Ų63.446%0.45835%0.351SS..EExtended strand (participates in β ladder)trans-100.1-41.7178.4-56.9-57.4-52.400111.6E73 V83 H85E73-Q75 PolarHBondContact O-N 2.88Å; E73-Q75 PolarHBondContact O-NE2 2.82Å; Q75-V83 HydrophobicContact CB-CB 4.49Å; Q75-V83 HydrophobicContact CB-CG1 4.37Å; Q75-V83 PolarHBondContact N-O 3.1Å; Q75-H85 HydrophobicContact CG-CB 3.96Å
76S97.6Very high97.2Very high60 Ų6063.5 Ų63.542%0.4235%0.352SS..EExtended strand (participates in β ladder)trans-153.4152.7178.8620000110.6V82 V83S76-V82 WeakPolarHBondContact O-CA 3.38Å; S76-V82 WeakPolarHBondContact O-CG2 3.49Å; S76-V83 PolarHBondContact N-O 2.98Å; S76-V83 PolarHBondContact O-N 2.85Å; S76-V83 WeakPolarHBondContact OG-CB 3.46Å; S76-V83 WeakPolarHBondContact OG-CG2 3.45Å
77K97.3Very high97.3Very high93 Ų9366.5 Ų66.540%0.40435%0.354SS..EExtended strand (participates in β ladder)trans-151.4131177.2-178.1166.4172.3165.80109.9G56 D59 S81 V82G56-K77 WeakPolarHBondContact O-CE 3.27Å; D59-K77 IonicContact OD1-NZ 2.68Å; D59-K77 PolarHBondContact OD1-NZ 2.81Å; D59-K77 IonicContact OD2-NZ 3.01Å; K77-S81 WeakPolarHBondContact CA-O 3.08Å; K77-V82 HydrophobicContact CB-CB 4.37Å; K77-V82 HydrophobicContact CB-CG2 4Å; K77-V82 HydrophobicContact CD-CB 4.47Å; K77-V82 HydrophobicContact CD-CG2 4.13Å; K77-V82 HydrophobicContact CG-CB 4.16Å; K77-V82 HydrophobicContact CG-CG2 4.11Å
78D95.7Very high97.5Very high91 Ų9163.7 Ų63.749%0.48733%0.325SS..  trans-134.9-168166.958.141.3000109.3G56 E80 S81G56-D78 WeakPolarHBondContact CA-O 3.33Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 WeakPolarHBondContact OD1-CA 3.47Å; D78-E80 PolarHBondContact OD1-N 2.86Å; D78-S81 PolarHBondContact N-O 3.45Å; D78-S81 PolarHBondContact OD1-N 2.93Å
79E93.3Very high97.5Very high183 Ų18363.2 Ų63.286%0.85532%0.323SS*.SBendtrans-70.4-31.9179.2-65.1-176.7174.100112.4G56G56-E79 PolarHBondContact N-O 2.83Å; G56-E79 VanDerWaalsContact N-O 3.08Å
80E95.6Very high97.5Very high146 Ų14658.9 Ų58.968%0.68230%0.296SS*.SBendtrans-83.2-34.6-175.6-63.3-169.7176.900112.4K54 P55 G56 D78K54-E80 WeakPolarHBondContact CB-O 3.29Å; K54-E80 WeakPolarHBondContact CG-O 3.43Å; P55-E80 WeakPolarHBondContact CA-O 3.3Å; G56-E80 PolarHBondContact N-O 2.82Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-E80 WeakPolarHBondContact OD1-CA 3.47Å; D78-E80 PolarHBondContact OD1-N 2.86Å
81S97.3Very high97.4Very high20 Ų2065.8 Ų65.814%0.1433%0.328CS..  trans-155.2157.6-171700000114.8M53 G56 K77 D78M53-S81 WeakPolarHBondContact O-CA 3.46Å; M53-S81 WeakPolarHBondContact O-CB 3.31Å; G56-S81 VanDerWaalsContact CA-C 3.49Å; K77-S81 WeakPolarHBondContact CA-O 3.08Å; D78-S81 PolarHBondContact N-O 3.45Å; D78-S81 PolarHBondContact OD1-N 2.93Å
82V97.4Very high97.2Very high0 Ų065.5 Ų65.50%034%0.34CS..EExtended strand (participates in β ladder)trans-131.4139.9169600000109.3V52 M53 Q74 S76 K77 Y84V52-V82 WeakPolarHBondContact CA-O 3.39Å; M53-V82 HydrophobicContact CB-CG1 3.92Å; M53-V82 HydrophobicContact CE-CG1 3.94Å; M53-V82 PolarHBondContact N-O 2.84Å; M53-V82 PolarHBondContact O-N 3.08Å; Q74-V82 HydrophobicContact CG-CG2 3.93Å; S76-V82 WeakPolarHBondContact O-CA 3.38Å; S76-V82 WeakPolarHBondContact O-CG2 3.49Å; K77-V82 HydrophobicContact CB-CB 4.37Å; K77-V82 HydrophobicContact CB-CG2 4Å; K77-V82 HydrophobicContact CD-CB 4.47Å; K77-V82 HydrophobicContact CD-CG2 4.13Å; K77-V82 HydrophobicContact CG-CB 4.16Å; K77-V82 HydrophobicContact CG-CG2 4.11Å; V82-Y84 HydrophobicContact CB-CE2 4.08Å; V82-Y84 HydrophobicContact CG1-CD2 4.45Å; V82-Y84 HydrophobicContact CG1-CE2 3.67Å; V82-Y84 HydrophobicContact CG2-CD2 4.02Å; V82-Y84 HydrophobicContact CG2-CE2 3.29Å
83V98.4Very high97.1Very high23 Ų2366.3 Ų66.314%0.13935%0.346CS..EExtended strand (participates in β ladder)trans-119.6129.3-178.6-175.90000109.2E50 V51 V52 Q75 S76E50-V83 HydrophobicContact CG-CG1 4.13Å; V51-V83 WeakPolarHBondContact O-CA 3.49Å; V52-V83 HydrophobicContact CG1-CG2 4.26Å; V52-V83 HydrophobicContact CG2-CG1 4.3Å; V52-V83 HydrophobicContact CG2-CG2 4.18Å; Q75-V83 HydrophobicContact CB-CB 4.49Å; Q75-V83 HydrophobicContact CB-CG1 4.37Å; Q75-V83 PolarHBondContact N-O 3.1Å; S76-V83 PolarHBondContact N-O 2.98Å; S76-V83 PolarHBondContact O-N 2.85Å; S76-V83 WeakPolarHBondContact OG-CB 3.46Å; S76-V83 WeakPolarHBondContact OG-CG2 3.45Å
84Y98.6Very high97Very high9 Ų965.7 Ų65.74%0.03535%0.352CS..EExtended strand (participates in β ladder)trans-121.5145.7174-62-94.7000111E50 V51 M53 A60 L72 E73 Q74 V82E50-Y84 WeakPolarHBondContact CA-O 3.33Å; V51-Y84 PolarHBondContact N-O 3.13Å; V51-Y84 PolarHBondContact O-N 3.13Å; M53-Y84 HydrophobicContact CE-CD2 3.49Å; M53-Y84 VanDerWaalsContact CE-CD2 3.49Å; M53-Y84 HydrophobicContact CE-CE2 3.16Å; A60-Y84 PolarHBondContact N-OH 2.87Å; A60-Y84 WeakPolarHBondContact O-CE1 3.49Å; L72-Y84 HydrophobicContact CB-CD1 3.9Å; L72-Y84 HydrophobicContact CB-CG 4.1Å; E73-Y84 CarbonylContact O-C 3.54Å; E73-Y84 VanDerWaalsContact O-CA 3.31Å; E73-Y84 WeakPolarHBondContact O-CA 3.46Å; Q74-Y84 HydrophobicContact CB-CD1 3.9Å; Q74-Y84 HydrophobicContact CB-CE1 3.68Å; Q74-Y84 HydrophobicContact CG-CD1 4.48Å; Q74-Y84 HydrophobicContact CG-CE1 4.1Å; V82-Y84 HydrophobicContact CB-CE2 4.08Å; V82-Y84 HydrophobicContact CG1-CD2 4.45Å; V82-Y84 HydrophobicContact CG1-CE2 3.67Å; V82-Y84 HydrophobicContact CG2-CD2 4.02Å; V82-Y84 HydrophobicContact CG2-CE2 3.29Å
85H98.6Very high96.9Very high37 Ų3766 Ų6617%0.17135%0.353CS..EExtended strand (participates in β ladder)trans-112.6145.2167.2-69.4170.5000110.5V49 E50 E73 Q75V49-H85 CarbonylContact O-C 3.59Å; V49-H85 VanDerWaalsContact O-CA 3.3Å; V49-H85 WeakPolarHBondContact O-CA 3.39Å; E50-H85 IonicContact OE2-CD2 3.3Å; E50-H85 IonicContact OE2-CE1 3.96Å; E50-H85 IonicContact OE2-NE2 2.74Å; E50-H85 PolarHBondContact OE2-NE2 2.89Å; E73-H85 PolarHBondContact N-O 2.76Å; E73-H85 PolarHBondContact O-N 2.8Å; Q75-H85 HydrophobicContact CG-CB 3.96Å
86G98.4Very high96.9Very high2 Ų262 Ų622%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-144.7169.117100000111V49V49-G86 PolarHBondContact N-O 2.87Å; V49-G86 PolarHBondContact O-N 2.89Å
87H98.2Very high96.7Very high107 Ų10766.4 Ų66.450%0.49535%0.347SS..EExtended strand (participates in β ladder)trans-121.5116.4-177.2-66.7-78.2000110.8Y47 L70Y47-H87 WeakPolarHBondContact O-CA 3.4Å; L70-H87 WeakPolarHBondContact CB-O 3.23Å
88Y98.5Very high96.4Very high3 Ų367.4 Ų67.41%0.01237%0.366CS..EExtended strand (participates in β ladder)trans-100.8117.3175.9177-119.2000109.8L41 K46 Y47 I65 I68 L70 T90 Y124L41-Y88 HydrophobicContact CD1-CE1 3.98Å; K46-Y88 CarbonylContact C-O 3.58Å; K46-Y88 WeakPolarHBondContact CA-O 3.49Å; Y47-Y88 HydrophobicContact CD2-CD1 4.07Å; Y47-Y88 PolarHBondContact N-O 3.34Å; Y47-Y88 PolarHBondContact O-N 2.85Å; I65-Y88 HydrophobicContact CB-CD2 3.78Å; I65-Y88 HydrophobicContact CB-CE2 3.62Å; I65-Y88 HydrophobicContact CB-CG 4.47Å; I65-Y88 HydrophobicContact CD1-CD1 4.48Å; I65-Y88 HydrophobicContact CD1-CD2 4.07Å; I65-Y88 HydrophobicContact CD1-CG 3.99Å; I65-Y88 HydrophobicContact CG1-CD2 4.42Å; I65-Y88 HydrophobicContact CG2-CD2 4.07Å; I65-Y88 HydrophobicContact CG2-CE1 4.11Å; I65-Y88 HydrophobicContact CG2-CE2 3.6Å; I65-Y88 WeakPolarHBondContact O-CE2 3.44Å; I68-Y88 HydrophobicContact CB-CD2 4.33Å; I68-Y88 HydrophobicContact CB-CE2 4.02Å; I68-Y88 HydrophobicContact CD1-CD2 4.36Å; I68-Y88 HydrophobicContact CD1-CE2 3.55Å; I68-Y88 HydrophobicContact CG1-CE2 4.38Å; I68-Y88 HydrophobicContact CG2-CD2 4.23Å; I68-Y88 HydrophobicContact CG2-CE2 4.37Å; L70-Y88 HydrophobicContact CD2-CD2 4.26Å; Y88-T90 HydrophobicContact CD1-CG2 3.98Å; Y88-T90 HydrophobicContact CE1-CG2 3.31Å; Y88-Y124 PolarHBondContact OH-OH 2.98Å
89D97.6Very high96Very high44 Ų4464.5 Ų64.524%0.23536%0.357CS..EExtended strand (participates in β ladder)trans-104.4123.5179.5-161.8-21.5000110.5K46 I68 E91K46-D89 WeakPolarHBondContact CE-OD2 3.48Å; K46-D89 HydrophobicContact CG-CB 4.3Å; K46-D89 IonicContact NZ-OD2 3.24Å; I68-D89 VanDerWaalsContact CD1-O 3.29Å; I68-D89 WeakPolarHBondContact CD1-O 3.47Å; D89-E91 VanDerWaalsContact C-N 3.33Å; D89-E91 VanDerWaalsContact OD1-CB 3.31Å; D89-E91 WeakPolarHBondContact OD1-CB 3.32Å; D89-E91 PolarHBondContact OD1-N 3.49Å
90T97.7Very high96Very high0 Ų059.6 Ų59.60%034%0.337CS..  trans-94.415.6176.365.20000113.1L42 T43 G44 S45 Y47 Y88 G92 V93 Y124L42-T90 WeakPolarHBondContact O-CB 3.37Å; L42-T90 PolarHBondContact O-OG1 2.86Å; T43-T90 WeakPolarHBondContact CA-OG1 3.42Å; G44-T90 PolarHBondContact N-O 3.02Å; G44-T90 PolarHBondContact N-OG1 3.44Å; S45-T90 PolarHBondContact N-OG1 2.86Å; S45-T90 PolarHBondContact O-N 2.79Å; S45-T90 PolarHBondContact O-OG1 2.77Å; Y47-T90 HydrophobicContact CD2-CG2 4.13Å; Y47-T90 HydrophobicContact CE2-CG2 3.87Å; Y88-T90 HydrophobicContact CD1-CG2 3.98Å; Y88-T90 HydrophobicContact CE1-CG2 3.31Å; T90-G92 PolarHBondContact O-N 3.43Å; T90-V93 WeakPolarHBondContact O-CB 3.44Å; T90-V93 PolarHBondContact O-N 2.84Å; T90-V93 VanDerWaalsContact O-N 3.13Å; T90-Y124 HydrophobicContact CG2-CE1 4.03Å
91E95.9Very high96Very high149 Ų14954.3 Ų54.370%0.69631%0.31SS*.THydrogen-bonded Turntrans-54.5134.4167.4-173.1164.8-160.500110.9D89 V93D89-E91 VanDerWaalsContact C-N 3.33Å; D89-E91 VanDerWaalsContact OD1-CB 3.31Å; D89-E91 WeakPolarHBondContact OD1-CB 3.32Å; D89-E91 PolarHBondContact OD1-N 3.49Å; E91-V93 PolarHBondContact O-N 2.88Å; E91-V93 VanDerWaalsContact O-N 3.13Å
92G93.4Very high96Very high78 Ų7857.5 Ų57.580%0.80432%0.323SS*.THydrogen-bonded Turntrans75.1-12.4-175.500000115.8T90T90-G92 PolarHBondContact O-N 3.43Å
93V96.3Very high95.9Very high32 Ų3262.2 Ų62.219%0.19435%0.354CS..PPolyproline II helixtrans-72.8123.5177.5-178.90000110.3T43 I68 T90 E91 Y124T43-V93 WeakPolarHBondContact CB-O 3.34Å; T43-V93 WeakPolarHBondContact CG2-O 3.31Å; I68-V93 HydrophobicContact CD1-CG2 4.09Å; T90-V93 WeakPolarHBondContact O-CB 3.44Å; T90-V93 PolarHBondContact O-N 2.84Å; T90-V93 VanDerWaalsContact O-N 3.13Å; E91-V93 PolarHBondContact O-N 2.88Å; E91-V93 VanDerWaalsContact O-N 3.13Å; V93-Y124 HydrophobicContact CG1-CD1 3.88Å; V93-Y124 HydrophobicContact CG1-CD2 4.04Å; V93-Y124 HydrophobicContact CG1-CE1 3.85Å; V93-Y124 HydrophobicContact CG1-CE2 4.01Å; V93-Y124 HydrophobicContact CG1-CG 3.97Å
94P95.3Very high95.9Very high102 Ų10261.5 Ų61.566%0.66235%0.349SS*.PPolyproline II helixtrans-72.2145.5-178.829-34.5000111.9
95H96.5Very high95.9Very high110 Ų11066 Ų6651%0.50937%0.37SS..PPolyproline II helixtrans-67.9146.9175.273.1-86000111T43 N126T43-H95 HydrophobicContact CG2-CB 3.92Å; H95-N126 HydrophobicContact CB-CB 4.32Å
96T96.9Very high95.9Very high12 Ų1264.2 Ų64.27%0.07436%0.362CS..PPolyproline II helixtrans-82.7134.9178.1-50.70000110.5D100 Q102 K123 Y124T96-D100 HydrophobicContact CG2-CB 3.74Å; T96-D100 WeakPolarHBondContact CG2-O 2.89Å; T96-Q102 HydrophobicContact CG2-CG 4.13Å; T96-Q102 WeakPolarHBondContact OG1-CG 3.48Å; T96-K123 HydrophobicContact CG2-CG 4.41Å; T96-Y124 PolarHBondContact N-O 2.79Å; T96-Y124 PolarHBondContact OG1-N 2.86Å
97K94.4Very high95.9Very high153 Ų15364.6 Ų64.667%0.66537%0.365SS*.PPolyproline II helixtrans-61.4163.4177.9-68.2179.8-178.2175.30112.1D100 K123K97-D100 PolarHBondContact O-N 2.85Å; K97-K123 PolarHBondContact O-NZ 2.52Å
98S89.6Confident95.9Very high115 Ų11559.5 Ų59.580%0.80434%0.341SS*.SBendtrans-61.4147.4171.7-164.70000110D100S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.09Å
99G89.1Confident95.7Very high29 Ų2964.1 Ų64.130%0.29936%0.363SS..SBendtrans81.1-39.8-173.100000113.8F33 R101F33-G99 WeakPolarHBondContact CE1-O 3.4Å; F33-G99 VanDerWaalsContact CZ-O 3.24Å; F33-G99 WeakPolarHBondContact CZ-O 3.43Å; G99-R101 PolarHBondContact O-NH1 2.78Å
100D93.4Very high95.5Very high80 Ų8062.6 Ų62.643%0.42835%0.354SS..  trans-85.4160.8-167.5-63.3-20.6000115.5T96 K97 S98 K123T96-D100 HydrophobicContact CG2-CB 3.74Å; T96-D100 WeakPolarHBondContact CG2-O 2.89Å; K97-D100 PolarHBondContact O-N 2.85Å; S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.09Å; D100-K123 PolarHBondContact O-NZ 2.77Å
101R95.1Very high95.1Very high36 Ų3666.3 Ų66.314%0.13639%0.393CS..  trans-134.8148.9170.6-59.3-60.4-178.8-72.4-14.2109.6D29 F33 T38 G99 Q121D29-R101 IonicContact OD1-NH2 2.72Å; D29-R101 PolarHBondContact OD1-NH2 2.88Å; D29-R101 IonicContact OD2-NE 2.99Å; D29-R101 IonicContact OD2-NH2 3.67Å; F33-R101 HydrophobicContact CB-CG 4.43Å; F33-R101 HydrophobicContact CD1-CG 4.01Å; F33-R101 HydrophobicContact CD2-CG 4.04Å; F33-R101 HydrophobicContact CE1-CG 4.28Å; F33-R101 HydrophobicContact CE2-CG 4.34Å; F33-R101 HydrophobicContact CG-CG 3.9Å; F33-R101 HydrophobicContact CZ-CG 4.44Å; T38-R101 VanDerWaalsContact CG2-CD 3.47Å; T38-R101 VanDerWaalsContact OG1-CD 3.31Å; T38-R101 WeakPolarHBondContact OG1-CD 3.47Å; T38-R101 PolarHBondContact OG1-NE 2.91Å; G99-R101 PolarHBondContact O-NH1 2.78Å; R101-Q121 HydrophobicContact CB-CG 3.6Å; R101-Q121 HydrophobicContact CG-CG 3.91Å
102Q95.8Very high94.7Very high87 Ų8764.7 Ų64.741%0.40738%0.384SS..EExtended strand (participates in β ladder)trans-103128.1177.3-65.7-63.2-4100109.5T96 V104 V122 Y124T96-Q102 HydrophobicContact CG2-CG 4.13Å; T96-Q102 WeakPolarHBondContact OG1-CG 3.48Å; Q102-V104 HydrophobicContact CB-CG2 4.26Å; Q102-V104 PolarHBondContact O-N 3.26Å; Q102-V122 PolarHBondContact N-O 2.8Å; Q102-V122 PolarHBondContact O-N 3.46Å; Q102-Y124 HydrophobicContact CB-CE2 4.4Å; Q102-Y124 HydrophobicContact CG-CD2 4.31Å
103P96.8Very high94.6Very high98 Ų9861.2 Ų61.264%0.63635%0.347SS*.EExtended strand (participates in β ladder)trans-77.1111164.731.2-29.7000108.8I119P103-I119 HydrophobicContact CB-CG2 3.67Å
104V97.9Very high94.5Very high8 Ų860.4 Ų60.45%0.04835%0.345CS..EExtended strand (participates in β ladder)trans-103.6112.6-178.9177.30000108.1I65 Q102 V106 I119 W120 V122 Y124I65-V104 HydrophobicContact CG2-CG1 3.82Å; Q102-V104 HydrophobicContact CB-CG2 4.26Å; Q102-V104 PolarHBondContact O-N 3.26Å; V104-V106 HydrophobicContact CG1-CG2 4.39Å; V104-I119 CarbonylContact O-C 3.56Å; V104-I119 WeakPolarHBondContact O-CA 3.32Å; V104-W120 HydrophobicContact CB-CB 4.5Å; V104-W120 PolarHBondContact N-O 2.88Å; V104-W120 PolarHBondContact O-N 3.46Å; V104-V122 HydrophobicContact CB-CG2 3.88Å; V104-V122 HydrophobicContact CG2-CB 3.72Å; V104-V122 HydrophobicContact CG2-CG2 3.56Å; V104-Y124 HydrophobicContact CG2-CE2 3.97Å
105Q98.1Very high94.5Very high103 Ų10358.2 Ų58.248%0.48133%0.326SS..EExtended strand (participates in β ladder)trans-65.5134.3172.9-175.6172.7-6.600109.6G66G66-Q105 PolarHBondContact N-O 3.27Å
106V98.6Very high94.5Very high0 Ų053 Ų530%030%0.302CS..EExtended strand (participates in β ladder)trans-128.2132.5176.4174.10000108.8M63 N64 I65 V104 E117 T118 W120M63-V106 HydrophobicContact CE-CG1 3.31Å; N64-V106 VanDerWaalsContact O-CA 3.27Å; N64-V106 WeakPolarHBondContact O-CA 3.45Å; I65-V106 HydrophobicContact CG1-CG2 4.38Å; I65-V106 HydrophobicContact CG2-CG2 4.24Å; V104-V106 HydrophobicContact CG1-CG2 4.39Å; V106-E117 CarbonylContact O-C 3.5Å; V106-E117 WeakPolarHBondContact O-CA 3.09Å; V106-T118 HydrophobicContact CB-CG2 3.89Å; V106-T118 HydrophobicContact CG1-CG2 4.29Å; V106-T118 PolarHBondContact N-O 2.96Å; V106-T118 PolarHBondContact O-N 3.05Å; V106-W120 HydrophobicContact CB-CD2 4.4Å; V106-W120 HydrophobicContact CG1-CH2 4.41Å; V106-W120 HydrophobicContact CG1-CZ2 4.09Å; V106-W120 HydrophobicContact CG2-CB 4.39Å; V106-W120 HydrophobicContact CG2-CD2 3.5Å; V106-W120 HydrophobicContact CG2-CE3 3.62Å; V106-W120 HydrophobicContact CG2-CG 3.86Å; V106-W120 HydrophobicContact CG2-CH2 4.38Å; V106-W120 HydrophobicContact CG2-CZ2 4.3Å; V106-W120 HydrophobicContact CG2-CZ3 4.06Å
107S98.3Very high94.6Very high11 Ų1155.9 Ų55.98%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-140.8155.3174.265.90000113M63 N64 Q115 F116M63-S107 CarbonylContact C-O 3.5Å; M63-S107 VanDerWaalsContact CA-O 3.24Å; M63-S107 WeakPolarHBondContact CA-O 3.41Å; M63-S107 WeakPolarHBondContact CG-O 3.45Å; N64-S107 WeakPolarHBondContact CB-OG 3.32Å; N64-S107 PolarHBondContact N-O 2.97Å; N64-S107 PolarHBondContact O-N 2.89Å; S107-Q115 VanDerWaalsContact CB-NE2 3.33Å; S107-Q115 PolarHBondContact OG-NE2 2.92Å; S107-F116 CarbonylContact C-O 3.58Å; S107-F116 WeakPolarHBondContact CA-O 3.43Å; S107-F116 WeakPolarHBondContact CB-O 3.18Å
108I98.3Very high94.7Very high0 Ų049.6 Ų49.60%029%0.289CS..EExtended strand (participates in β ladder)trans-131.5131.9172.9-59.4171.2000107.9I11 I13 V51 A60 T62 M63 L72 F110 Q115 F116I11-I108 HydrophobicContact CG2-CD1 4.09Å; I13-I108 HydrophobicContact CD1-CD1 4.06Å; V51-I108 HydrophobicContact CG1-CD1 4.07Å; A60-I108 HydrophobicContact CB-CG2 3.6Å; T62-I108 WeakPolarHBondContact O-CA 3.32Å; M63-I108 HydrophobicContact CB-CG1 4.14Å; M63-I108 HydrophobicContact CE-CG1 4.5Å; M63-I108 HydrophobicContact CG-CG1 3.82Å; M63-I108 HydrophobicContact SD-CD1 4.43Å; M63-I108 HydrophobicContact SD-CG1 4.27Å; L72-I108 HydrophobicContact CD1-CG2 4.14Å; I108-F110 HydrophobicContact CB-CD2 4.46Å; I108-F110 HydrophobicContact CB-CE2 3.79Å; I108-F110 HydrophobicContact CB-CZ 4.47Å; I108-F110 HydrophobicContact CG2-CD2 4.06Å; I108-F110 HydrophobicContact CG2-CE2 3.54Å; I108-F110 HydrophobicContact CG2-CZ 3.96Å; I108-Q115 WeakPolarHBondContact O-CA 3.36Å; I108-F116 HydrophobicContact CB-CB 4.31Å; I108-F116 HydrophobicContact CB-CD1 4.34Å; I108-F116 HydrophobicContact CD1-CD1 4.17Å; I108-F116 HydrophobicContact CG1-CD1 4.15Å; I108-F116 PolarHBondContact N-O 2.85Å; I108-F116 PolarHBondContact O-N 3.05Å
109E95.6Very high95.1Very high100 Ų10048.3 Ų48.347%0.46727%0.272SS..EExtended strand (participates in β ladder)trans-91.5122.5177-66.6-179.8167.700110.9A60 A61 T62A60-E109 WeakPolarHBondContact CA-O 3.18Å; A61-E109 PolarHBondContact N-O 2.97Å; A61-E109 VanDerWaalsContact N-O 3.15Å; T62-E109 PolarHBondContact O-N 2.65Å; T62-E109 VanDerWaalsContact OG1-CD 3.23Å; T62-E109 WeakPolarHBondContact OG1-CG 3.2Å; T62-E109 PolarHBondContact OG1-OE2 2.94Å
110F93.6Very high95.5Very high11 Ų1147.1 Ų47.15%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-110127.5174.3-62.3-107.9000110.5I9 I11 M53 A58 D59 A60 I108 K112 A113 G114 F116 M155I9-F110 HydrophobicContact CD1-CD1 4.48Å; I9-F110 HydrophobicContact CD1-CE1 4.43Å; I9-F110 HydrophobicContact CG2-CE1 4.27Å; I11-F110 HydrophobicContact CD1-CE2 4.21Å; I11-F110 HydrophobicContact CD1-CZ 3.77Å; I11-F110 HydrophobicContact CG1-CZ 4.34Å; M53-F110 HydrophobicContact CE-CE1 4.11Å; M53-F110 HydrophobicContact SD-CD1 4.38Å; M53-F110 HydrophobicContact SD-CE1 3.23Å; M53-F110 WeakPolarHBondContact SD-CE1 3.46Å; M53-F110 HydrophobicContact SD-CZ 3.4Å; M53-F110 WeakPolarHBondContact SD-CZ 3.4Å; A58-F110 HydrophobicContact CB-CE1 4.25Å; D59-F110 WeakPolarHBondContact O-CA 3.46Å; D59-F110 WeakPolarHBondContact O-CD1 3.27Å; A60-F110 HydrophobicContact CB-CD1 4.31Å; A60-F110 HydrophobicContact CB-CE1 4.3Å; I108-F110 HydrophobicContact CB-CD2 4.46Å; I108-F110 HydrophobicContact CB-CE2 3.79Å; I108-F110 HydrophobicContact CB-CZ 4.47Å; I108-F110 HydrophobicContact CG2-CD2 4.06Å; I108-F110 HydrophobicContact CG2-CE2 3.54Å; I108-F110 HydrophobicContact CG2-CZ 3.96Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 2.96Å; F110-K112 VanDerWaalsContact O-N 3.17Å; F110-A113 HydrophobicContact CB-CB 3.78Å; F110-A113 HydrophobicContact CD1-CB 4.45Å; F110-A113 HydrophobicContact CG-CB 4.27Å; F110-G114 WeakPolarHBondContact CA-O 3.18Å; F110-G114 WeakPolarHBondContact CB-O 3.31Å; F110-G114 PolarHBondContact N-O 2.8Å; F110-G114 PolarHBondContact O-N 2.82Å; F110-F116 HydrophobicContact CE2-CB 3.79Å; F110-M155 HydrophobicContact CB-CE 4.02Å; F110-M155 HydrophobicContact CD1-CE 3.94Å; F110-M155 HydrophobicContact CD2-CE 3.28Å; F110-M155 HydrophobicContact CD2-SD 4.44Å; F110-M155 HydrophobicContact CE1-CE 4.16Å; F110-M155 HydrophobicContact CE2-CE 3.58Å; F110-M155 HydrophobicContact CE2-SD 4.24Å; F110-M155 HydrophobicContact CG-CE 3.48Å; F110-M155 VanDerWaalsContact CG-CE 3.48Å; F110-M155 HydrophobicContact CZ-CE 4.02Å
111G87.4Confident95.7Very high79 Ų7943.9 Ų43.981%0.81424%0.241SC*.THydrogen-bonded Turntrans-60.1-33.9-173.300000114.1D59D59-G111 PolarHBondContact O-N 2.89Å
112K89Confident95.8Very high115 Ų11542.2 Ų42.250%0.524%0.235SC..THydrogen-bonded Turntrans-114.5-18.5-179.9-57.7-177.3-172.7173.60114.3D4 V5 F110 R152D4-K112 IonicContact OD2-NZ 3.76Å; D4-K112 PolarHBondContact OD2-NZ 2.93Å; V5-K112 HydrophobicContact CG2-CB 3.61Å; V5-K112 WeakPolarHBondContact CG2-O 3.21Å; F110-K112 VanDerWaalsContact C-N 3.26Å; F110-K112 PolarHBondContact O-N 2.96Å; F110-K112 VanDerWaalsContact O-N 3.17Å; K112-R152 WeakPolarHBondContact O-CD 3.47Å
113A91.5Very high95.9Very high5 Ų538.9 Ų38.94%0.04122%0.219CC..THydrogen-bonded Turntrans-105.8-0.1-169.100000113.8V5 I9 F110 P148 M155V5-A113 HydrophobicContact CG1-CB 3.75Å; I9-A113 HydrophobicContact CD1-CB 3.7Å; F110-A113 HydrophobicContact CB-CB 3.78Å; F110-A113 HydrophobicContact CD1-CB 4.45Å; F110-A113 HydrophobicContact CG-CB 4.27Å; A113-P148 HydrophobicContact CB-CG 4.04Å; A113-M155 HydrophobicContact CB-CE 3.45Å; A113-M155 VanDerWaalsContact CB-CE 3.45Å; A113-M155 WeakPolarHBondContact O-CE 3.32Å
114G92.9Very high96Very high14 Ų1434.8 Ų34.814%0.14419%0.191CC..EExtended strand (participates in β ladder)trans85.6-153-178.300000112.5F110 R152F110-G114 WeakPolarHBondContact CA-O 3.18Å; F110-G114 WeakPolarHBondContact CB-O 3.31Å; F110-G114 PolarHBondContact N-O 2.8Å; F110-G114 PolarHBondContact O-N 2.82Å; G114-R152 WeakPolarHBondContact CA-O 3.07Å; G114-R152 PolarHBondContact N-O 3.15Å
115Q95.5Very high95.9Very high57 Ų5735.6 Ų35.627%0.26619%0.193SC..EExtended strand (participates in β ladder)trans-104.9136.6-177.5-166.3168.1-13.200111.3S107 I108 E117 S153 L154 M155S107-Q115 VanDerWaalsContact CB-NE2 3.33Å; S107-Q115 PolarHBondContact OG-NE2 2.92Å; I108-Q115 WeakPolarHBondContact O-CA 3.36Å; Q115-E117 HydrophobicContact CB-CG 4.5Å; Q115-E117 VanDerWaalsContact CD-OE1 3.23Å; Q115-E117 HydrophobicContact CG-CG 3.73Å; Q115-E117 PolarHBondContact NE2-OE1 3.45Å; Q115-S153 PolarHBondContact N-O 3.19Å; Q115-L154 HydrophobicContact CB-CD1 4.44Å; Q115-L154 CarbonylContact O-C 3.51Å; Q115-L154 WeakPolarHBondContact O-CA 3.24Å; Q115-L154 WeakPolarHBondContact O-CD1 3.09Å; Q115-M155 PolarHBondContact O-N 2.82Å
116F97.6Very high95.8Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-89.1134.3160.5165.4-98.6000108.4I11 I13 S107 I108 F110 T118 Y144 C146 M155 I157I11-F116 HydrophobicContact CD1-CB 4.03Å; I11-F116 HydrophobicContact CD1-CD1 4.37Å; I11-F116 HydrophobicContact CD1-CD2 3.69Å; I11-F116 HydrophobicContact CD1-CE2 4.21Å; I11-F116 HydrophobicContact CD1-CG 3.77Å; I13-F116 HydrophobicContact CD1-CE1 4.33Å; S107-F116 CarbonylContact C-O 3.58Å; S107-F116 WeakPolarHBondContact CA-O 3.43Å; S107-F116 WeakPolarHBondContact CB-O 3.18Å; I108-F116 HydrophobicContact CB-CB 4.31Å; I108-F116 HydrophobicContact CB-CD1 4.34Å; I108-F116 HydrophobicContact CD1-CD1 4.17Å; I108-F116 HydrophobicContact CG1-CD1 4.15Å; I108-F116 PolarHBondContact N-O 2.85Å; I108-F116 PolarHBondContact O-N 3.05Å; F110-F116 HydrophobicContact CE2-CB 3.79Å; F116-T118 HydrophobicContact CE1-CG2 3.7Å; F116-T118 HydrophobicContact CZ-CG2 3.62Å; F116-Y144 HydrophobicContact CE1-CD2 4.49Å; F116-Y144 AromaticContact CE2-CD1 3.93Å; F116-Y144 HydrophobicContact CE2-CD1 3.93Å; F116-Y144 HydrophobicContact CE2-CD2 4.11Å; F116-Y144 HydrophobicContact CE2-CE1 4.46Å; F116-Y144 AromaticContact CE2-CG 3.73Å; F116-Y144 HydrophobicContact CE2-CG 3.73Å; F116-Y144 AromaticContact CZ-CD1 3.88Å; F116-Y144 HydrophobicContact CZ-CD1 3.88Å; F116-Y144 AromaticContact CZ-CD2 3.59Å; F116-Y144 HydrophobicContact CZ-CD2 3.59Å; F116-Y144 HydrophobicContact CZ-CE1 4.03Å; F116-Y144 AromaticContact CZ-CE2 3.77Å; F116-Y144 HydrophobicContact CZ-CE2 3.77Å; F116-Y144 AromaticContact CZ-CG 3.66Å; F116-Y144 HydrophobicContact CZ-CG 3.66Å; F116-C146 WeakPolarHBondContact CD2-SG 3.22Å; F116-M155 HydrophobicContact CB-SD 4.26Å; F116-I157 HydrophobicContact CD2-CD1 4.22Å; F116-I157 HydrophobicContact CD2-CG1 4.28Å; F116-I157 HydrophobicContact CE2-CD1 3.49Å; F116-I157 VanDerWaalsContact CE2-CD1 3.49Å; F116-I157 HydrophobicContact CE2-CG1 3.84Å; F116-I157 HydrophobicContact CZ-CD1 4.1Å
117E97.7Very high95.4Very high73 Ų7339.1 Ų39.134%0.34121%0.206SC..EExtended strand (participates in β ladder)trans-138.4135.1175.9-59.3-164.8141.300111.6V106 Q115 L154 I157V106-E117 CarbonylContact O-C 3.5Å; V106-E117 WeakPolarHBondContact O-CA 3.09Å; Q115-E117 HydrophobicContact CB-CG 4.5Å; Q115-E117 VanDerWaalsContact CD-OE1 3.23Å; Q115-E117 HydrophobicContact CG-CG 3.73Å; Q115-E117 PolarHBondContact NE2-OE1 3.45Å; E117-L154 HydrophobicContact CB-CD1 4.15Å; E117-L154 HydrophobicContact CG-CD1 3.71Å; E117-I157 VanDerWaalsContact O-CD1 3.29Å; E117-I157 WeakPolarHBondContact O-CD1 3.25Å
118T97.8Very high95.1Very high21 Ų2148.3 Ų48.313%0.12924%0.24CC..EExtended strand (participates in β ladder)trans-147.6173174.2-169.60000111.1V106 F116 Y144V106-T118 HydrophobicContact CB-CG2 3.89Å; V106-T118 HydrophobicContact CG1-CG2 4.29Å; V106-T118 PolarHBondContact N-O 2.96Å; V106-T118 PolarHBondContact O-N 3.05Å; F116-T118 HydrophobicContact CE1-CG2 3.7Å; F116-T118 HydrophobicContact CZ-CG2 3.62Å; T118-Y144 HydrophobicContact CG2-CE1 4.37Å
119I97.2Very high94.9Very high88 Ų8852.8 Ų52.845%0.45126%0.26SS..EExtended strand (participates in β ladder)trans-122.5114.8173.9-61.3175000108.9P103 V104P103-I119 HydrophobicContact CB-CG2 3.67Å; V104-I119 CarbonylContact O-C 3.56Å; V104-I119 WeakPolarHBondContact O-CA 3.32Å
120W97.6Very high94.8Very high3 Ų353.1 Ų53.11%0.01126%0.257CS..EExtended strand (participates in β ladder)trans-85.1133.8169.7-68.3-7000110.7I13 L15 I39 M63 I65 V104 V106 V122 I142 Y144I13-W120 HydrophobicContact CB-CZ2 4.23Å; I13-W120 HydrophobicContact CD1-CZ2 3.92Å; I13-W120 HydrophobicContact CG2-CH2 3.69Å; I13-W120 HydrophobicContact CG2-CZ2 3.87Å; L15-W120 HydrophobicContact CD1-CZ3 4.09Å; I39-W120 HydrophobicContact CD1-CB 4.02Å; I39-W120 HydrophobicContact CD1-CD2 3.61Å; I39-W120 HydrophobicContact CD1-CE3 3.59Å; I39-W120 HydrophobicContact CD1-CG 3.83Å; I39-W120 HydrophobicContact CD1-CZ3 4.29Å; M63-W120 HydrophobicContact CE-CH2 3.9Å; M63-W120 HydrophobicContact CE-CZ2 4.26Å; I65-W120 HydrophobicContact CD1-CZ3 4.21Å; I65-W120 HydrophobicContact CG2-CZ3 4.5Å; V104-W120 HydrophobicContact CB-CB 4.5Å; V104-W120 PolarHBondContact N-O 2.88Å; V104-W120 PolarHBondContact O-N 3.46Å; V106-W120 HydrophobicContact CB-CD2 4.4Å; V106-W120 HydrophobicContact CG1-CH2 4.41Å; V106-W120 HydrophobicContact CG1-CZ2 4.09Å; V106-W120 HydrophobicContact CG2-CB 4.39Å; V106-W120 HydrophobicContact CG2-CD2 3.5Å; V106-W120 HydrophobicContact CG2-CE3 3.62Å; V106-W120 HydrophobicContact CG2-CG 3.86Å; V106-W120 HydrophobicContact CG2-CH2 4.38Å; V106-W120 HydrophobicContact CG2-CZ2 4.3Å; V106-W120 HydrophobicContact CG2-CZ3 4.06Å; W120-V122 HydrophobicContact CB-CG2 3.97Å; W120-I142 HydrophobicContact CD2-CD1 4.37Å; W120-I142 HydrophobicContact CZ2-CD1 4.19Å; W120-Y144 AromaticContact NE1-CZ 3.92Å; W120-Y144 PolarHBondContact NE1-OH 2.88Å
121Q97Very high94.8Very high13 Ų1356.9 Ų56.96%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-84.3117.4165.9-178.5174.6-88.600109.3Q35 R37 T38 I39 R101Q35-Q121 HydrophobicContact CB-CB 3.66Å; Q35-Q121 HydrophobicContact CB-CG 4.42Å; Q35-Q121 HydrophobicContact CG-CB 3.93Å; Q35-Q121 PolarHBondContact O-NE2 2.98Å; Q35-Q121 PolarHBondContact O-OE1 3.09Å; R37-Q121 WeakPolarHBondContact O-CB 3.41Å; R37-Q121 PolarHBondContact O-NE2 3.33Å; T38-Q121 CarbonylContact C-O 3.56Å; T38-Q121 VanDerWaalsContact CA-O 3.27Å; T38-Q121 WeakPolarHBondContact CA-O 3.31Å; T38-Q121 PolarHBondContact OG1-NE2 3.32Å; I39-Q121 PolarHBondContact N-O 3.44Å; R101-Q121 HydrophobicContact CB-CG 3.6Å; R101-Q121 HydrophobicContact CG-CG 3.91Å
122V97.8Very high95Very high1 Ų157.3 Ų57.31%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-121147.3-174.6-176.30000110.8I39 L41 Q102 V104 W120 Y124I39-V122 HydrophobicContact CB-CG2 4.36Å; I39-V122 CarbonylContact O-C 3.56Å; I39-V122 WeakPolarHBondContact O-CA 3.37Å; L41-V122 HydrophobicContact CB-CG1 4.33Å; L41-V122 HydrophobicContact CD1-CG1 3.86Å; L41-V122 HydrophobicContact CG-CG1 4Å; Q102-V122 PolarHBondContact N-O 2.8Å; Q102-V122 PolarHBondContact O-N 3.46Å; V104-V122 HydrophobicContact CB-CG2 3.88Å; V104-V122 HydrophobicContact CG2-CB 3.72Å; V104-V122 HydrophobicContact CG2-CG2 3.56Å; W120-V122 HydrophobicContact CB-CG2 3.97Å; V122-Y124 HydrophobicContact CB-CE2 4.08Å; V122-Y124 HydrophobicContact CG1-CD1 4.27Å; V122-Y124 HydrophobicContact CG1-CD2 3.97Å; V122-Y124 HydrophobicContact CG1-CE1 3.96Å; V122-Y124 HydrophobicContact CG1-CE2 3.62Å; V122-Y124 HydrophobicContact CG1-CG 4.28Å
123K97.6Very high95.3Very high17 Ų1752.2 Ų52.27%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-120.2116.3163.3-173168.5-173.396.10109.5T38 I39 L41 T96 K97 D100 Y125T38-K123 HydrophobicContact CG2-CB 3.71Å; I39-K123 PolarHBondContact O-N 3.05Å; L41-K123 PolarHBondContact N-O 2.9Å; T96-K123 HydrophobicContact CG2-CG 4.41Å; K97-K123 PolarHBondContact O-NZ 2.52Å; D100-K123 PolarHBondContact O-NZ 2.77Å; K123-Y125 HydrophobicContact CB-CD2 4.49Å; K123-Y125 HydrophobicContact CB-CE2 3.92Å; K123-Y125 HydrophobicContact CD-CE1 4.34Å; K123-Y125 HydrophobicContact CD-CE2 3.74Å; K123-Y125 HydrophobicContact CG-CD2 4.11Å; K123-Y125 HydrophobicContact CG-CE2 3.62Å; K123-Y125 WeakPolarHBondContact O-CD2 3.43Å
124Y98.1Very high95.4Very high11 Ų1156.8 Ų56.84%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-86.8119.1174.3-64.8-80.4000110.1L41 Y88 T90 V93 T96 Q102 V104 V122L41-Y124 HydrophobicContact CB-CD1 3.89Å; L41-Y124 HydrophobicContact CB-CE1 3.97Å; L41-Y124 HydrophobicContact CD1-CE1 3.85Å; L41-Y124 HydrophobicContact CG-CE1 4.5Å; L41-Y124 CarbonylContact O-C 3.57Å; L41-Y124 VanDerWaalsContact O-CA 3.31Å; L41-Y124 WeakPolarHBondContact O-CA 3.39Å; Y88-Y124 PolarHBondContact OH-OH 2.98Å; T90-Y124 HydrophobicContact CG2-CE1 4.03Å; V93-Y124 HydrophobicContact CG1-CD1 3.88Å; V93-Y124 HydrophobicContact CG1-CD2 4.04Å; V93-Y124 HydrophobicContact CG1-CE1 3.85Å; V93-Y124 HydrophobicContact CG1-CE2 4.01Å; V93-Y124 HydrophobicContact CG1-CG 3.97Å; T96-Y124 PolarHBondContact N-O 2.79Å; T96-Y124 PolarHBondContact OG1-N 2.86Å; Q102-Y124 HydrophobicContact CB-CE2 4.4Å; Q102-Y124 HydrophobicContact CG-CD2 4.31Å; V104-Y124 HydrophobicContact CG2-CE2 3.97Å; V122-Y124 HydrophobicContact CB-CE2 4.08Å; V122-Y124 HydrophobicContact CG1-CD1 4.27Å; V122-Y124 HydrophobicContact CG1-CD2 3.97Å; V122-Y124 HydrophobicContact CG1-CE1 3.96Å; V122-Y124 HydrophobicContact CG1-CE2 3.62Å; V122-Y124 HydrophobicContact CG1-CG 4.28Å
125Y97.7Very high95.4Very high25 Ų2562.4 Ų62.410%0.09828%0.278CS..EExtended strand (participates in β ladder)trans-98.1144.2175-70.6-97.4000109.4K40 L41 L42 T43 K123 K129 Q132 C133K40-Y125 HydrophobicContact CB-CD2 4.29Å; K40-Y125 HydrophobicContact CB-CE2 3.89Å; K40-Y125 HydrophobicContact CD-CE2 3.96Å; K40-Y125 HydrophobicContact CG-CE2 3.88Å; L41-Y125 PolarHBondContact O-N 3.01Å; L42-Y125 CarbonylContact C-O 3.57Å; L42-Y125 VanDerWaalsContact CA-O 3.29Å; L42-Y125 WeakPolarHBondContact CA-O 3.42Å; T43-Y125 PolarHBondContact N-O 3.39Å; T43-Y125 PolarHBondContact OG1-O 2.81Å; K123-Y125 HydrophobicContact CB-CD2 4.49Å; K123-Y125 HydrophobicContact CB-CE2 3.92Å; K123-Y125 HydrophobicContact CD-CE1 4.34Å; K123-Y125 HydrophobicContact CD-CE2 3.74Å; K123-Y125 HydrophobicContact CG-CD2 4.11Å; K123-Y125 HydrophobicContact CG-CE2 3.62Å; K123-Y125 WeakPolarHBondContact O-CD2 3.43Å; Y125-K129 HydrophobicContact CD1-CB 4.05Å; Y125-Q132 HydrophobicContact CD1-CB 4.22Å; Y125-Q132 HydrophobicContact CE1-CB 3.84Å; Y125-C133 HydrophobicContact CD1-CB 4.41Å; Y125-C133 HydrophobicContact CD2-CB 3.87Å; Y125-C133 HydrophobicContact CE2-CB 4.45Å; Y125-C133 HydrophobicContact CG-CB 3.84Å
126N95.3Very high95.1Very high41 Ų4162.4 Ų62.422%0.21929%0.294CS..PPolyproline II helixtrans-70.5158.11666819000110.1H95 Y128 K129H95-N126 HydrophobicContact CB-CB 4.32Å; N126-Y128 PolarHBondContact O-N 2.87Å; N126-K129 PolarHBondContact O-N 2.9Å; N126-K129 WeakPolarHBondContact OD1-CB 3.44Å; N126-K129 VanDerWaalsContact OD1-CG 3.25Å; N126-K129 WeakPolarHBondContact OD1-CG 3.29Å; N126-K129 PolarHBondContact OD1-N 3.26Å
127Y90.1Very high95Very high136 Ų13666.2 Ų66.253%0.53331%0.314SS..G310 helixtrans-57.2-34.6-178.4-172.3-96.5000113.2L42 K129 R130L42-Y127 HydrophobicContact CD1-CD2 4.37Å; Y127-K129 PolarHBondContact O-N 3.33Å; Y127-K129 VanDerWaalsContact O-N 3.15Å; Y127-R130 WeakPolarHBondContact O-CB 3.31Å; Y127-R130 PolarHBondContact O-N 2.8Å; Y127-R130 VanDerWaalsContact O-N 3.13Å
128Y91.9Very high94.9Very high204 Ų20469.6 Ų69.680%0.833%0.328SS*.G310 helixtrans-64.6-16.3177-56.9-68.9000113.9N126N126-Y128 PolarHBondContact O-N 2.87Å
129K93.4Very high94.8Very high95 Ų9569.1 Ų69.141%0.41332%0.324SS..G310 helixtrans-106.724.2176.1-70.6-178.3175.9-174.10113Y125 N126 Y127 D131 Q132 C133Y125-K129 HydrophobicContact CD1-CB 4.05Å; N126-K129 PolarHBondContact O-N 2.9Å; N126-K129 WeakPolarHBondContact OD1-CB 3.44Å; N126-K129 VanDerWaalsContact OD1-CG 3.25Å; N126-K129 WeakPolarHBondContact OD1-CG 3.29Å; N126-K129 PolarHBondContact OD1-N 3.26Å; Y127-K129 PolarHBondContact O-N 3.33Å; Y127-K129 VanDerWaalsContact O-N 3.15Å; K129-D131 PolarHBondContact O-N 3.5Å; K129-Q132 HydrophobicContact CB-CB 4.5Å; K129-Q132 WeakPolarHBondContact O-CB 3.4Å; K129-Q132 PolarHBondContact O-N 2.76Å; K129-C133 PolarHBondContact O-N 3.24Å
130R93.1Very high94.8Very high106 Ų10669.1 Ų69.140%0.433%0.328SS..Hα-helixtrans-52-38.917968.2-178-172.1-87.3-7.8113.6L42 Y127 Q132 C133 Q134L42-R130 HydrophobicContact CD1-CB 4.26Å; L42-R130 HydrophobicContact CD2-CB 4.24Å; Y127-R130 WeakPolarHBondContact O-CB 3.31Å; Y127-R130 PolarHBondContact O-N 2.8Å; Y127-R130 VanDerWaalsContact O-N 3.13Å; R130-Q132 VanDerWaalsContact C-N 3.31Å; R130-Q132 PolarHBondContact O-N 3.45Å; R130-C133 WeakPolarHBondContact O-CA 3.45Å; R130-C133 VanDerWaalsContact O-CB 3.23Å; R130-C133 WeakPolarHBondContact O-CB 3.41Å; R130-C133 PolarHBondContact O-N 3.45Å; R130-C133 VanDerWaalsContact O-N 3.08Å; R130-Q134 WeakPolarHBondContact O-CG 3.47Å; R130-Q134 PolarHBondContact O-N 3.17Å; R130-Q134 VanDerWaalsContact O-N 3.11Å
131D93.9Very high94.8Very high91 Ų9170 Ų7049%0.48733%0.333SS..Hα-helixtrans-63.4-40.8-179.8-56.9-21000110.7K129 C133 Q134 F135K129-D131 PolarHBondContact O-N 3.5Å; D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 2.88Å; D131-Q134 PolarHBondContact O-N 2.68Å; D131-F135 WeakPolarHBondContact O-CD1 3.32Å; D131-F135 WeakPolarHBondContact O-CE1 3.37Å; D131-F135 PolarHBondContact O-N 3.37Å
132Q92.5Very high94.8Very high88 Ų8869.4 Ų69.441%0.41133%0.33SS..Hα-helixtrans-69.1-32.4175.4-57.7-1799.700112.7K40 Y125 K129 R130 Q134 F135K40-Q132 PolarHBondContact NZ-O 3.49Å; Y125-Q132 HydrophobicContact CD1-CB 4.22Å; Y125-Q132 HydrophobicContact CE1-CB 3.84Å; K129-Q132 HydrophobicContact CB-CB 4.5Å; K129-Q132 WeakPolarHBondContact O-CB 3.4Å; K129-Q132 PolarHBondContact O-N 2.76Å; R130-Q132 VanDerWaalsContact C-N 3.31Å; R130-Q132 PolarHBondContact O-N 3.45Å; Q132-Q134 PolarHBondContact O-N 3.01Å; Q132-F135 PolarHBondContact O-N 2.83Å
133C95.5Very high94.9Very high8 Ų873.3 Ų73.35%0.05435%0.348CS..Hα-helixtrans-63.2-28.7174.7-166.20000111.2K40 L42 Y125 K129 R130 D131K40-C133 WeakPolarHBondContact CB-O 3.33Å; K40-C133 WeakPolarHBondContact CD-O 3.2Å; L42-C133 HydrophobicContact CD2-CB 3.83Å; L42-C133 HydrophobicContact CG-CB 4.47Å; Y125-C133 HydrophobicContact CD1-CB 4.41Å; Y125-C133 HydrophobicContact CD2-CB 3.87Å; Y125-C133 HydrophobicContact CE2-CB 4.45Å; Y125-C133 HydrophobicContact CG-CB 3.84Å; K129-C133 PolarHBondContact O-N 3.24Å; R130-C133 WeakPolarHBondContact O-CA 3.45Å; R130-C133 VanDerWaalsContact O-CB 3.23Å; R130-C133 WeakPolarHBondContact O-CB 3.41Å; R130-C133 PolarHBondContact O-N 3.45Å; R130-C133 VanDerWaalsContact O-N 3.08Å; D131-C133 VanDerWaalsContact C-N 3.33Å; D131-C133 PolarHBondContact O-N 2.88Å
134Q94.2Very high94.9Very high101 Ų10172.6 Ų72.647%0.47235%0.345SS..THydrogen-bonded Turntrans-91.1-3.3-177.9-64.1176.710.700114.5F25 R130 D131 Q132F25-Q134 WeakPolarHBondContact CD1-O 3.37Å; F25-Q134 HydrophobicContact CD2-CB 4Å; F25-Q134 HydrophobicContact CD2-CG 4Å; F25-Q134 HydrophobicContact CE1-CB 4.48Å; F25-Q134 WeakPolarHBondContact CE1-O 3.46Å; F25-Q134 HydrophobicContact CE2-CB 3.7Å; F25-Q134 HydrophobicContact CE2-CG 3.61Å; F25-Q134 HydrophobicContact CZ-CB 3.96Å; F25-Q134 HydrophobicContact CZ-CG 4.26Å; R130-Q134 WeakPolarHBondContact O-CG 3.47Å; R130-Q134 PolarHBondContact O-N 3.17Å; R130-Q134 VanDerWaalsContact O-N 3.11Å; D131-Q134 PolarHBondContact O-N 2.68Å; Q132-Q134 PolarHBondContact O-N 3.01Å
135F91.4Very high94.9Very high131 Ų13175.1 Ų75.158%0.57536%0.357SS*.  trans-72.1144.9176.9-66.6-8.5000111.7K40 D131 Q132K40-F135 WeakPolarHBondContact CE-O 3.1Å; K40-F135 PolarHBondContact NZ-O 2.68Å; D131-F135 WeakPolarHBondContact O-CD1 3.32Å; D131-F135 WeakPolarHBondContact O-CE1 3.37Å; D131-F135 PolarHBondContact O-N 3.37Å; Q132-F135 PolarHBondContact O-N 2.83Å
136G90.8Very high94.9Very high58 Ų5873.9 Ų73.960%0.59835%0.353SS*.SBendtrans104.8-148.1176.700000112.5
137N94.6Very high94.9Very high80 Ų8076.6 Ų76.643%0.42836%0.362SS..EExtended strand (participates in β ladder)trans-88.9144.4-175.4-59.8-51.6000110F25 F26 F139F25-N137 CarbonylContact C-O 3.51Å; F25-N137 WeakPolarHBondContact CA-O 3.5Å; F25-N137 WeakPolarHBondContact CB-O 3.45Å; F25-N137 WeakPolarHBondContact CD1-O 3.38Å; F26-N137 HydrophobicContact CD1-CB 3.92Å; F26-N137 HydrophobicContact CE1-CB 3.49Å; F26-N137 VanDerWaalsContact CE1-CB 3.49Å; F26-N137 HydrophobicContact CE2-CB 4.21Å; F26-N137 HydrophobicContact CG-CB 4.47Å; F26-N137 HydrophobicContact CZ-CB 3.64Å; F26-N137 PolarHBondContact N-O 2.88Å; F26-N137 PolarHBondContact O-N 2.92Å; N137-F139 PolarHBondContact O-N 3.41Å
138K95.7Very high95.1Very high143 Ų14370.9 Ų70.962%0.62234%0.342SS*.EExtended strand (participates in β ladder)trans-64.6134.3167.1-69.8-178.9-179.51780108.4F25 F26F25-K138 HydrophobicContact CD1-CG 4.27Å; F25-K138 HydrophobicContact CE1-CG 3.8Å; F25-K138 HydrophobicContact CZ-CG 4.4Å; F26-K138 VanDerWaalsContact CE1-O 3.31Å; F26-K138 WeakPolarHBondContact CE1-O 3.27Å
139F96.1Very high95.1Very high11 Ų1162.3 Ų62.35%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-87.7112.1173.1-178.9-93.3000108.2L15 V24 F26 I39 N137 I142 F162L15-F139 HydrophobicContact CB-CD1 4.2Å; L15-F139 HydrophobicContact CB-CE1 3.99Å; L15-F139 HydrophobicContact CD1-CE1 4.11Å; L15-F139 HydrophobicContact CD1-CZ 4.47Å; L15-F139 HydrophobicContact CG-CE1 3.91Å; V24-F139 HydrophobicContact CB-CB 4.09Å; V24-F139 HydrophobicContact CB-CD1 4.25Å; V24-F139 HydrophobicContact CB-CG 4.5Å; V24-F139 HydrophobicContact CG1-CB 3.98Å; V24-F139 HydrophobicContact CG1-CD1 4.17Å; V24-F139 HydrophobicContact CG1-CG 4.18Å; V24-F139 WeakPolarHBondContact O-CB 3.39Å; V24-F139 PolarHBondContact O-N 3.06Å; F26-F139 HydrophobicContact CB-CD2 4.27Å; F26-F139 HydrophobicContact CD1-CB 4.03Å; F26-F139 HydrophobicContact CD1-CD2 4.07Å; F26-F139 HydrophobicContact CG-CD2 4.46Å; I39-F139 HydrophobicContact CD1-CE2 4.15Å; I39-F139 HydrophobicContact CD1-CZ 4.37Å; I39-F139 HydrophobicContact CG1-CE2 4.07Å; N137-F139 PolarHBondContact O-N 3.41Å; F139-I142 HydrophobicContact CE2-CD1 3.63Å; F139-I142 HydrophobicContact CE2-CG1 3.39Å; F139-I142 HydrophobicContact CZ-CD1 3.69Å; F139-I142 HydrophobicContact CZ-CG1 3.52Å; F139-F162 HydrophobicContact CD2-CD1 4.2Å; F139-F162 HydrophobicContact CD2-CE1 4.49Å; F139-F162 AromaticContact CE2-CD1 3.86Å; F139-F162 HydrophobicContact CE2-CD1 3.86Å; F139-F162 AromaticContact CE2-CE1 3.93Å; F139-F162 HydrophobicContact CE2-CE1 3.93Å
140V96.4Very high94.8Very high89 Ų8966.7 Ų66.754%0.53933%0.332SS..  trans-88.2-57.9174.7-1790000108.6A14 N163A14-V140 WeakPolarHBondContact CB-O 3.31Å; V140-N163 HydrophobicContact CB-CB 4.4Å; V140-N163 WeakPolarHBondContact CB-O 3.1Å; V140-N163 PolarHBondContact N-O 2.9Å
141N97.8Very high94.5Very high21 Ų2166.7 Ų66.711%0.11234%0.344CS..  trans-161.1173.2176.864.623000111.5S12 I13 A14 E143 N163S12-N141 WeakPolarHBondContact OG-CB 3.4Å; S12-N141 PolarHBondContact OG-ND2 3.39Å; I13-N141 CarbonylContact O-C 3.52Å; I13-N141 WeakPolarHBondContact O-CA 2.85Å; I13-N141 WeakPolarHBondContact O-CB 3.12Å; A14-N141 HydrophobicContact CB-CB 4.18Å; N141-E143 PolarHBondContact ND2-OE1 2.76Å; N141-N163 PolarHBondContact N-O 2.76Å; N141-N163 PolarHBondContact O-N 2.66Å; N141-N163 WeakPolarHBondContact OD1-CB 3.26Å; N141-N163 PolarHBondContact OD1-ND2 3.19Å
142I97.8Very high94.3Very high0 Ų066.8 Ų66.80%034%0.338CS..EExtended strand (participates in β ladder)trans-116.5131.8157.9-54.3159000107.8S12 I13 I39 W120 F139 Y144 E160 A161 F162S12-I142 CarbonylContact C-O 3.57Å; S12-I142 WeakPolarHBondContact CA-O 3.3Å; I13-I142 PolarHBondContact N-O 3.11Å; I13-I142 PolarHBondContact O-N 2.93Å; I39-I142 HydrophobicContact CD1-CD1 3.78Å; W120-I142 HydrophobicContact CD2-CD1 4.37Å; W120-I142 HydrophobicContact CZ2-CD1 4.19Å; F139-I142 HydrophobicContact CE2-CD1 3.63Å; F139-I142 HydrophobicContact CE2-CG1 3.39Å; F139-I142 HydrophobicContact CZ-CD1 3.69Å; F139-I142 HydrophobicContact CZ-CG1 3.52Å; I142-Y144 HydrophobicContact CB-CE2 3.93Å; I142-Y144 HydrophobicContact CG2-CD2 4.19Å; I142-Y144 HydrophobicContact CG2-CE1 4.15Å; I142-Y144 HydrophobicContact CG2-CE2 3.47Å; I142-Y144 VanDerWaalsContact CG2-CE2 3.47Å; I142-Y144 VanDerWaalsContact CG2-CZ 3.43Å; I142-Y144 WeakPolarHBondContact CG2-OH 3.47Å; I142-E160 HydrophobicContact CG2-CG 3.76Å; I142-A161 CarbonylContact C-O 3.54Å; I142-A161 WeakPolarHBondContact CA-O 3.08Å; I142-F162 HydrophobicContact CD1-CD1 4.05Å; I142-F162 HydrophobicContact CD1-CD2 4.34Å; I142-F162 HydrophobicContact CD1-CE1 3.47Å; I142-F162 VanDerWaalsContact CD1-CE1 3.47Å; I142-F162 HydrophobicContact CD1-CE2 3.8Å; I142-F162 HydrophobicContact CD1-CG 4.45Å; I142-F162 HydrophobicContact CD1-CZ 3.32Å; I142-F162 HydrophobicContact CG1-CD1 3.67Å; I142-F162 HydrophobicContact CG1-CD2 3.88Å; I142-F162 HydrophobicContact CG1-CE1 3.65Å; I142-F162 HydrophobicContact CG1-CE2 3.86Å; I142-F162 HydrophobicContact CG1-CG 3.78Å; I142-F162 HydrophobicContact CG1-CZ 3.74Å; I142-F162 HydrophobicContact CG2-CD2 3.88Å; I142-F162 HydrophobicContact CG2-CE2 3.95Å; I142-F162 HydrophobicContact CG2-CG 4.46Å
143E98.2Very high94.1Very high83 Ų8365.9 Ų65.939%0.38834%0.341SS..EExtended strand (participates in β ladder)trans-106.1134177-67.4176.4169.400110.4I11 N141 E160 A161 N163I11-E143 CarbonylContact O-C 3.5Å; I11-E143 WeakPolarHBondContact O-CA 3.4Å; N141-E143 PolarHBondContact ND2-OE1 2.76Å; E143-E160 CarbonylContact O-C 3.58Å; E143-E160 WeakPolarHBondContact O-CA 3.35Å; E143-A161 PolarHBondContact N-O 2.93Å; E143-A161 PolarHBondContact O-N 3.06Å; E143-N163 VanDerWaalsContact CD-ND2 3.31Å; E143-N163 PolarHBondContact OE2-ND2 3.49Å
144Y98.5Very high94Very high3 Ų368.6 Ų68.61%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-122133.6175.9-62.7-80.7000109.8N10 I11 I13 F116 T118 W120 I142 I157 K159 E160N10-Y144 CarbonylContact C-O 3.48Å; N10-Y144 VanDerWaalsContact CA-O 3.27Å; N10-Y144 WeakPolarHBondContact CA-O 3.33Å; I11-Y144 PolarHBondContact N-O 2.8Å; I11-Y144 PolarHBondContact O-N 2.85Å; I13-Y144 HydrophobicContact CD1-CD2 4.33Å; I13-Y144 HydrophobicContact CD1-CE2 4.11Å; F116-Y144 HydrophobicContact CE1-CD2 4.49Å; F116-Y144 AromaticContact CE2-CD1 3.93Å; F116-Y144 HydrophobicContact CE2-CD1 3.93Å; F116-Y144 HydrophobicContact CE2-CD2 4.11Å; F116-Y144 HydrophobicContact CE2-CE1 4.46Å; F116-Y144 AromaticContact CE2-CG 3.73Å; F116-Y144 HydrophobicContact CE2-CG 3.73Å; F116-Y144 AromaticContact CZ-CD1 3.88Å; F116-Y144 HydrophobicContact CZ-CD1 3.88Å; F116-Y144 AromaticContact CZ-CD2 3.59Å; F116-Y144 HydrophobicContact CZ-CD2 3.59Å; F116-Y144 HydrophobicContact CZ-CE1 4.03Å; F116-Y144 AromaticContact CZ-CE2 3.77Å; F116-Y144 HydrophobicContact CZ-CE2 3.77Å; F116-Y144 AromaticContact CZ-CG 3.66Å; F116-Y144 HydrophobicContact CZ-CG 3.66Å; T118-Y144 HydrophobicContact CG2-CE1 4.37Å; W120-Y144 AromaticContact NE1-CZ 3.92Å; W120-Y144 PolarHBondContact NE1-OH 2.88Å; I142-Y144 HydrophobicContact CB-CE2 3.93Å; I142-Y144 HydrophobicContact CG2-CD2 4.19Å; I142-Y144 HydrophobicContact CG2-CE1 4.15Å; I142-Y144 HydrophobicContact CG2-CE2 3.47Å; I142-Y144 VanDerWaalsContact CG2-CE2 3.47Å; I142-Y144 VanDerWaalsContact CG2-CZ 3.43Å; I142-Y144 WeakPolarHBondContact CG2-OH 3.47Å; Y144-I157 HydrophobicContact CD1-CD1 4.18Å; Y144-I157 HydrophobicContact CD1-CG2 3.9Å; Y144-I157 HydrophobicContact CE1-CD1 4.39Å; Y144-K159 WeakPolarHBondContact CA-O 3.25Å; Y144-E160 HydrophobicContact CD1-CB 4.14Å; Y144-E160 HydrophobicContact CD1-CG 4.12Å; Y144-E160 HydrophobicContact CE1-CB 3.95Å; Y144-E160 HydrophobicContact CE1-CG 3.53Å; Y144-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y144-E160 PolarHBondContact OH-OE2 3.42Å
145E98.3Very high94.1Very high63 Ų6364.1 Ų64.129%0.29433%0.333SS..EExtended strand (participates in β ladder)trans-101.6117163.2-173.6-169.997.200108I8 N158 K159I8-E145 HydrophobicContact CG2-CG 3.58Å; E145-N158 PolarHBondContact O-N 3.08Å; E145-N158 PolarHBondContact OE1-ND2 3.47Å; E145-N158 VanDerWaalsContact OE1-ND2 3.11Å; E145-K159 HydrophobicContact CB-CB 4.01Å; E145-K159 PolarHBondContact N-O 3.4Å; E145-K159 VanDerWaalsContact N-O 3.1Å
146C97.3Very high94.3Very high0 Ų063.8 Ų63.80%033%0.329CS..EExtended strand (participates in β ladder)trans-120.4144.7-172.5-57.30000111.6I8 I9 F116 M155 W156I8-C146 CarbonylContact C-O 3.57Å; I8-C146 WeakPolarHBondContact CA-O 3.23Å; I9-C146 PolarHBondContact N-O 3.48Å; I9-C146 WeakPolarHBondContact O-CB 3.18Å; I9-C146 PolarHBondContact O-N 2.8Å; F116-C146 WeakPolarHBondContact CD2-SG 3.22Å; C146-M155 HydrophobicContact CB-CB 4.1Å; C146-M155 HydrophobicContact CB-SD 3.89Å; C146-W156 CarbonylContact C-O 3.54Å; C146-W156 VanDerWaalsContact CA-O 3.24Å; C146-W156 WeakPolarHBondContact CA-O 3.34Å
147K96.1Very high94.6Very high98 Ų9864 Ų6443%0.42632%0.315SS..EExtended strand (participates in β ladder)trans-120.9118.2173176.2171.5-179.3-1730109.9P7 N149 M155 W156P7-K147 WeakPolarHBondContact O-CG 3.03Å; K147-N149 PolarHBondContact O-N 3.18Å; K147-M155 CarbonylContact O-C 3.53Å; K147-M155 WeakPolarHBondContact O-CA 3.43Å; K147-W156 HydrophobicContact CB-CE3 4.46Å; K147-W156 HydrophobicContact CD-CE3 4.21Å; K147-W156 HydrophobicContact CD-CZ3 4.44Å; K147-W156 HydrophobicContact CG-CE3 4.13Å; K147-W156 PolarHBondContact N-O 2.79Å; K147-W156 PolarHBondContact O-N 3.18Å
148P93.9Very high94.7Very high16 Ų1664.6 Ų64.610%0.10432%0.319CS..EExtended strand (participates in β ladder)trans-55.5135.3171-2636.5000111.4V5 I9 A113 M155V5-P148 HydrophobicContact CG1-CB 4.31Å; V5-P148 HydrophobicContact CG1-CG 3.98Å; I9-P148 HydrophobicContact CD1-CG 4.08Å; A113-P148 HydrophobicContact CB-CG 4.04Å; P148-M155 HydrophobicContact CG-CG 4.48Å
149N91.1Very high94.7Very high24 Ų2463.9 Ų63.913%0.12832%0.315CS..  trans-72170.1175.674.4-4000111.8K147 T151 R152 S153 L154 W156K147-N149 PolarHBondContact O-N 3.18Å; N149-T151 PolarHBondContact ND2-OG1 3.18Å; N149-T151 VanDerWaalsContact ND2-OG1 3.14Å; N149-T151 PolarHBondContact O-N 3.24Å; N149-T151 PolarHBondContact OD1-N 2.61Å; N149-T151 PolarHBondContact OD1-OG1 3.03Å; N149-R152 PolarHBondContact O-N 3.13Å; N149-R152 VanDerWaalsContact OD1-CA 3.3Å; N149-R152 WeakPolarHBondContact OD1-CA 3.16Å; N149-R152 PolarHBondContact OD1-N 2.95Å; N149-S153 PolarHBondContact ND2-OG 3.03Å; N149-S153 PolarHBondContact OD1-N 2.94Å; N149-L154 WeakPolarHBondContact CB-O 3.47Å; N149-L154 PolarHBondContact N-O 3.11Å; N149-L154 PolarHBondContact ND2-O 2.95Å; N149-L154 PolarHBondContact OD1-N 3.38Å; N149-L154 PolarHBondContact OD1-O 2.87Å; N149-W156 HydrophobicContact CB-CD2 4.32Å; N149-W156 HydrophobicContact CB-CE3 4.45Å; N149-W156 HydrophobicContact CB-CH2 3.89Å; N149-W156 HydrophobicContact CB-CZ2 3.69Å; N149-W156 HydrophobicContact CB-CZ3 4.25Å
150E87.7Confident94.7Very high186 Ų18667 Ų6787%0.86933%0.33SS*.THydrogen-bonded Turntrans-59-33.8-177.2-63.1179.3-179.700112.9
151T88Confident94.6Very high107 Ų10763.8 Ų63.866%0.65631%0.313SS*.THydrogen-bonded Turntrans-87.8-2-179.656.80000113.9N149 S153N149-T151 PolarHBondContact ND2-OG1 3.18Å; N149-T151 VanDerWaalsContact ND2-OG1 3.14Å; N149-T151 PolarHBondContact O-N 3.24Å; N149-T151 PolarHBondContact OD1-N 2.61Å; N149-T151 PolarHBondContact OD1-OG1 3.03Å; T151-S153 PolarHBondContact O-N 3.45Å; T151-S153 PolarHBondContact OG1-OG 3.04Å
152R87.7Confident94.3Very high93 Ų9363.5 Ų63.535%0.35131%0.311SS..SBendtrans50.135.7-174-60.8176.1177.6164.820.2113.7D3 K112 G114 N149D3-R152 VanDerWaalsContact CB-NH2 3.33Å; D3-R152 IonicContact OD1-CZ 3.85Å; D3-R152 VanDerWaalsContact OD1-CZ 3.3Å; D3-R152 IonicContact OD1-NH1 3.7Å; D3-R152 PolarHBondContact OD1-NH1 2.99Å; D3-R152 IonicContact OD1-NH2 3.78Å; D3-R152 PolarHBondContact OD1-NH2 2.77Å; D3-R152 IonicContact OD2-CZ 2.64Å; D3-R152 IonicContact OD2-NH1 2.89Å; D3-R152 IonicContact OD2-NH2 3.88Å; D3-R152 PolarHBondContact OD2-NH2 3.41Å; K112-R152 WeakPolarHBondContact O-CD 3.47Å; G114-R152 WeakPolarHBondContact CA-O 3.07Å; G114-R152 PolarHBondContact N-O 3.15Å; N149-R152 PolarHBondContact O-N 3.13Å; N149-R152 VanDerWaalsContact OD1-CA 3.3Å; N149-R152 WeakPolarHBondContact OD1-CA 3.16Å; N149-R152 PolarHBondContact OD1-N 2.95Å
153S89.5Confident93.8Very high69 Ų6967.8 Ų67.848%0.48333%0.334SS..SBendtrans-99.2-37.2177.763.10000111.6Q115 N149 T151Q115-S153 PolarHBondContact N-O 3.19Å; N149-S153 PolarHBondContact ND2-OG 3.03Å; N149-S153 PolarHBondContact OD1-N 2.94Å; T151-S153 PolarHBondContact O-N 3.45Å; T151-S153 PolarHBondContact OG1-OG 3.04Å
154L94.1Very high93.6Very high64 Ų6467 Ų6734%0.33533%0.331SS..BIsolated β-bridgetrans-145146.7-175.4-173.670.9000109.8Q115 E117 N149Q115-L154 HydrophobicContact CB-CD1 4.44Å; Q115-L154 CarbonylContact O-C 3.51Å; Q115-L154 WeakPolarHBondContact O-CA 3.24Å; Q115-L154 WeakPolarHBondContact O-CD1 3.09Å; E117-L154 HydrophobicContact CB-CD1 4.15Å; E117-L154 HydrophobicContact CG-CD1 3.71Å; N149-L154 WeakPolarHBondContact CB-O 3.47Å; N149-L154 PolarHBondContact N-O 3.11Å; N149-L154 PolarHBondContact ND2-O 2.95Å; N149-L154 PolarHBondContact OD1-N 3.38Å; N149-L154 PolarHBondContact OD1-O 2.87Å
155M95.9Very high93.3Very high7 Ų770.4 Ų70.43%0.03435%0.348CS..EExtended strand (participates in β ladder)trans-94.5144.4172.8-56.7-174.3-171.400111.8I9 F110 A113 Q115 F116 C146 K147 P148I9-M155 HydrophobicContact CD1-CE 3.75Å; I9-M155 HydrophobicContact CD1-SD 4.28Å; F110-M155 HydrophobicContact CB-CE 4.02Å; F110-M155 HydrophobicContact CD1-CE 3.94Å; F110-M155 HydrophobicContact CD2-CE 3.28Å; F110-M155 HydrophobicContact CD2-SD 4.44Å; F110-M155 HydrophobicContact CE1-CE 4.16Å; F110-M155 HydrophobicContact CE2-CE 3.58Å; F110-M155 HydrophobicContact CE2-SD 4.24Å; F110-M155 HydrophobicContact CG-CE 3.48Å; F110-M155 VanDerWaalsContact CG-CE 3.48Å; F110-M155 HydrophobicContact CZ-CE 4.02Å; A113-M155 HydrophobicContact CB-CE 3.45Å; A113-M155 VanDerWaalsContact CB-CE 3.45Å; A113-M155 WeakPolarHBondContact O-CE 3.32Å; Q115-M155 PolarHBondContact O-N 2.82Å; F116-M155 HydrophobicContact CB-SD 4.26Å; C146-M155 HydrophobicContact CB-CB 4.1Å; C146-M155 HydrophobicContact CB-SD 3.89Å; K147-M155 CarbonylContact O-C 3.53Å; K147-M155 WeakPolarHBondContact O-CA 3.43Å; P148-M155 HydrophobicContact CG-CG 4.48Å
156W95.8Very high93Very high125 Ų12570.8 Ų70.847%0.47335%0.351SS..EExtended strand (participates in β ladder)trans-87.7131.6167-60.7-50.9000110.4C146 K147 N149C146-W156 CarbonylContact C-O 3.54Å; C146-W156 VanDerWaalsContact CA-O 3.24Å; C146-W156 WeakPolarHBondContact CA-O 3.34Å; K147-W156 HydrophobicContact CB-CE3 4.46Å; K147-W156 HydrophobicContact CD-CE3 4.21Å; K147-W156 HydrophobicContact CD-CZ3 4.44Å; K147-W156 HydrophobicContact CG-CE3 4.13Å; K147-W156 PolarHBondContact N-O 2.79Å; K147-W156 PolarHBondContact O-N 3.18Å; N149-W156 HydrophobicContact CB-CD2 4.32Å; N149-W156 HydrophobicContact CB-CE3 4.45Å; N149-W156 HydrophobicContact CB-CH2 3.89Å; N149-W156 HydrophobicContact CB-CZ2 3.69Å; N149-W156 HydrophobicContact CB-CZ3 4.25Å
157I97Very high92.8Very high62 Ų6274.9 Ų74.932%0.31837%0.371SS..EExtended strand (participates in β ladder)trans-90.1114.2174.6-58.8177000108.6F116 E117 Y144 K159F116-I157 HydrophobicContact CD2-CD1 4.22Å; F116-I157 HydrophobicContact CD2-CG1 4.28Å; F116-I157 HydrophobicContact CE2-CD1 3.49Å; F116-I157 VanDerWaalsContact CE2-CD1 3.49Å; F116-I157 HydrophobicContact CE2-CG1 3.84Å; F116-I157 HydrophobicContact CZ-CD1 4.1Å; E117-I157 VanDerWaalsContact O-CD1 3.29Å; E117-I157 WeakPolarHBondContact O-CD1 3.25Å; Y144-I157 HydrophobicContact CD1-CD1 4.18Å; Y144-I157 HydrophobicContact CD1-CG2 3.9Å; Y144-I157 HydrophobicContact CE1-CD1 4.39Å; I157-K159 WeakPolarHBondContact CG2-O 3.21Å
158N96Very high92.6Very high93 Ų9373.5 Ų73.550%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-85.8-34.5176.8-66.5-21.8000112.1E145E145-N158 PolarHBondContact O-N 3.08Å; E145-N158 PolarHBondContact OE1-ND2 3.47Å; E145-N158 VanDerWaalsContact OE1-ND2 3.11Å
159K95.8Very high92.5Very high127 Ų12777.3 Ų77.355%0.55239%0.385SS*.EExtended strand (participates in β ladder)trans-145.1142.2-174-171.3-179.7176.5-170.90110.6Y144 E145 I157Y144-K159 WeakPolarHBondContact CA-O 3.25Å; E145-K159 HydrophobicContact CB-CB 4.01Å; E145-K159 PolarHBondContact N-O 3.4Å; E145-K159 VanDerWaalsContact N-O 3.1Å; I157-K159 WeakPolarHBondContact CG2-O 3.21Å
160E95.3Very high92.6Very high77 Ų7781.1 Ų81.136%0.3640%0.404SS..EExtended strand (participates in β ladder)trans-128.7132.9167.6-179.4-176.981.100109I142 E143 Y144 F162I142-E160 HydrophobicContact CG2-CG 3.76Å; E143-E160 CarbonylContact O-C 3.58Å; E143-E160 WeakPolarHBondContact O-CA 3.35Å; Y144-E160 HydrophobicContact CD1-CB 4.14Å; Y144-E160 HydrophobicContact CD1-CG 4.12Å; Y144-E160 HydrophobicContact CE1-CB 3.95Å; Y144-E160 HydrophobicContact CE1-CG 3.53Å; Y144-E160 WeakPolarHBondContact CE1-OE2 3.4Å; Y144-E160 PolarHBondContact OH-OE2 3.42Å; E160-F162 HydrophobicContact CG-CD2 4.3Å; E160-F162 HydrophobicContact CG-CE2 4.23Å
161A94.3Very high93Very high22 Ų2273.1 Ų73.118%0.18237%0.368CS..EExtended strand (participates in β ladder)trans-138.9125.8174.800000111.1I142 E143I142-A161 CarbonylContact C-O 3.54Å; I142-A161 WeakPolarHBondContact CA-O 3.08Å; E143-A161 PolarHBondContact N-O 2.93Å; E143-A161 PolarHBondContact O-N 3.06Å
162F91.8Very high93.4Very high15 Ų1570.3 Ų70.37%0.06634%0.344CS..EExtended strand (participates in β ladder)trans-95.7127.3172.2-83.6-117.5000109.3F26 R37 I39 F139 I142 E160F26-F162 HydrophobicContact CD2-CD1 4.32Å; F26-F162 HydrophobicContact CE2-CB 4.49Å; F26-F162 HydrophobicContact CG-CD1 4.37Å; R37-F162 HydrophobicContact CB-CD1 4.18Å; R37-F162 HydrophobicContact CB-CE1 4.1Å; R37-F162 HydrophobicContact CB-CE2 4.45Å; R37-F162 HydrophobicContact CB-CG 4.4Å; R37-F162 HydrophobicContact CB-CZ 4.24Å; R37-F162 VanDerWaalsContact CD-CG 3.4Å; R37-F162 PolarHBondContact NH1-O 3.37Å; I39-F162 HydrophobicContact CD1-CE1 4.26Å; I39-F162 HydrophobicContact CG1-CE1 3.76Å; I39-F162 HydrophobicContact CG1-CZ 4.35Å; F139-F162 HydrophobicContact CD2-CD1 4.2Å; F139-F162 HydrophobicContact CD2-CE1 4.49Å; F139-F162 AromaticContact CE2-CD1 3.86Å; F139-F162 HydrophobicContact CE2-CD1 3.86Å; F139-F162 AromaticContact CE2-CE1 3.93Å; F139-F162 HydrophobicContact CE2-CE1 3.93Å; I142-F162 HydrophobicContact CD1-CD1 4.05Å; I142-F162 HydrophobicContact CD1-CD2 4.34Å; I142-F162 HydrophobicContact CD1-CE1 3.47Å; I142-F162 VanDerWaalsContact CD1-CE1 3.47Å; I142-F162 HydrophobicContact CD1-CE2 3.8Å; I142-F162 HydrophobicContact CD1-CG 4.45Å; I142-F162 HydrophobicContact CD1-CZ 3.32Å; I142-F162 HydrophobicContact CG1-CD1 3.67Å; I142-F162 HydrophobicContact CG1-CD2 3.88Å; I142-F162 HydrophobicContact CG1-CE1 3.65Å; I142-F162 HydrophobicContact CG1-CE2 3.86Å; I142-F162 HydrophobicContact CG1-CG 3.78Å; I142-F162 HydrophobicContact CG1-CZ 3.74Å; I142-F162 HydrophobicContact CG2-CD2 3.88Å; I142-F162 HydrophobicContact CG2-CE2 3.95Å; I142-F162 HydrophobicContact CG2-CG 4.46Å; E160-F162 HydrophobicContact CG-CD2 4.3Å; E160-F162 HydrophobicContact CG-CE2 4.23Å
163N87.4Confident93.9Very high89 Ų8968.2 Ų68.248%0.47634%0.343SS..  trans-113.80179.3-57.1-56000112.4V140 N141 E143V140-N163 HydrophobicContact CB-CB 4.4Å; V140-N163 WeakPolarHBondContact CB-O 3.1Å; V140-N163 PolarHBondContact N-O 2.9Å; N141-N163 PolarHBondContact N-O 2.76Å; N141-N163 PolarHBondContact O-N 2.66Å; N141-N163 WeakPolarHBondContact OD1-CB 3.26Å; N141-N163 PolarHBondContact OD1-ND2 3.19Å; E143-N163 VanDerWaalsContact CD-ND2 3.31Å; E143-N163 PolarHBondContact OE2-ND2 3.49Å

Retrieved 163 of 163 residues in 1370.3 ms (Link to these results)

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