A0A077ZN99_TRITR Loading...

Peptidase M1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 198 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
1M40.9Very low51.5Low253 Ų253165.1 Ų165.1100%1.24680%0.804SS**  089.20-71.1-178.9-172.200106.7
2E41.5Very low54.4Low196 Ų196161 Ų16192%0.91677%0.774SS**  trans-107.4109.6-177.9-149.3132.5-148.800106.5N4E2-N4 PolarHBondContact O-N 3.1Å; E2-N4 VanDerWaalsContact O-N 3.16Å
3S40.1Very low57.2Low101 Ų101160.4 Ų160.471%0.70676%0.758SS**  trans-69.1109.7-173.761.30000110R5S3-R5 VanDerWaalsContact C-N 3.26Å; S3-R5 PolarHBondContact O-N 3.26Å
4N48.9Very low59.7Low163 Ų163149.5 Ų149.587%0.87271%0.708SS**  trans-74.779.8172-154.917.6000109E2E2-N4 PolarHBondContact O-N 3.1Å; E2-N4 VanDerWaalsContact O-N 3.16Å
5R43Very low61.9Low204 Ų204143.9 Ų143.977%0.7769%0.689SS**PPolyproline II helixtrans-68.3132.1169.8-79.6-171.1-166.3-165.63.7108.3S3 Q7S3-R5 VanDerWaalsContact C-N 3.26Å; S3-R5 PolarHBondContact O-N 3.26Å; R5-Q7 PolarHBondContact O-N 3.36Å; R5-Q7 VanDerWaalsContact O-N 3.13Å
6P43.5Very low63.9Low120 Ų120138.7 Ų138.778%0.77967%0.672SS**PPolyproline II helixtrans-59.6120.7171.424-30.2000108.7I8P6-I8 PolarHBondContact O-N 2.94Å
7Q49.6Very low65.8Low187 Ų187132.4 Ų132.487%0.87464%0.644SS**PPolyproline II helixtrans-67.7119.9172-69.8-174.37.800108.2R5 R9R5-Q7 PolarHBondContact O-N 3.36Å; R5-Q7 VanDerWaalsContact O-N 3.13Å; Q7-R9 PolarHBondContact O-N 3.28Å
8I55.6Low67.6Low155 Ų155125.3 Ų125.380%0.79561%0.61SS**  trans-64.8107.1171.3-60.1172.7000106.8P6 M10P6-I8 PolarHBondContact O-N 2.94Å; I8-M10 PolarHBondContact O-N 3.33Å; I8-M10 VanDerWaalsContact O-N 3.14Å
9R59.2Low69.1Low175 Ų175119.4 Ų119.466%0.6658%0.582SS**  trans-64.5114.1169.1-85.8-173.3164.9-164.3-4.2107.9Q7 F11Q7-R9 PolarHBondContact O-N 3.28Å; R9-F11 HydrophobicContact CB-CE1 4.27Å; R9-F11 HydrophobicContact CB-CE2 3.97Å; R9-F11 HydrophobicContact CB-CZ 3.7Å; R9-F11 VanDerWaalsContact O-CD2 3.29Å; R9-F11 WeakPolarHBondContact O-CD2 3.32Å; R9-F11 VanDerWaalsContact O-CE2 3.28Å; R9-F11 WeakPolarHBondContact O-CE2 3.36Å
10M68.4Low70.6Confident143 Ų143113.6 Ų113.670%0.70455%0.554SS**  trans-72.9129.7170.1-74.9-174.4-88.800108.7I8 W85I8-M10 PolarHBondContact O-N 3.33Å; I8-M10 VanDerWaalsContact O-N 3.14Å; M10-W85 HydrophobicContact CB-CH2 4.42Å; M10-W85 HydrophobicContact CB-CZ3 3.9Å; M10-W85 WeakPolarHBondContact O-CZ3 3.31Å
11F75.7Confident71.9Confident119 Ų119111.6 Ų111.652%0.52255%0.548SS..  trans-108.9137.5176.6-62.9-73.3000110.4R9 N141R9-F11 HydrophobicContact CB-CE1 4.27Å; R9-F11 HydrophobicContact CB-CE2 3.97Å; R9-F11 HydrophobicContact CB-CZ 3.7Å; R9-F11 VanDerWaalsContact O-CD2 3.29Å; R9-F11 WeakPolarHBondContact O-CD2 3.32Å; R9-F11 VanDerWaalsContact O-CE2 3.28Å; R9-F11 WeakPolarHBondContact O-CE2 3.36Å; F11-N141 WeakPolarHBondContact CE1-ND2 3.27Å; F11-N141 WeakPolarHBondContact CZ-ND2 3.41Å
12R86.4Confident74.6Confident116 Ų116101.6 Ų101.644%0.43850%0.499SS..PPolyproline II helixtrans-99127.7170.6-174.7176.9177.8-153.8-6.2108.4E82 W85 L87R12-E82 IonicContact NH1-OE1 3.58Å; R12-E82 PolarHBondContact NH1-OE1 3.32Å; R12-E82 IonicContact NH1-OE2 2.95Å; R12-E82 PolarHBondContact NH1-OE2 2.92Å; R12-W85 HydrophobicContact CB-CB 4.05Å; R12-W85 HydrophobicContact CB-CD2 3.81Å; R12-W85 HydrophobicContact CB-CE3 3.88Å; R12-W85 HydrophobicContact CB-CG 3.9Å; R12-L87 HydrophobicContact CB-CD1 4.33Å; R12-L87 HydrophobicContact CG-CD1 4.23Å
13R90.2Very high77.3Confident153 Ų15392.5 Ų92.558%0.57746%0.456SS*.PPolyproline II helixtrans-73140.7178.1-58.5-63.4-62.8-82-3.6110.6E152 M154R13-E152 VanDerWaalsContact CA-OE1 3.31Å; R13-E152 WeakPolarHBondContact CA-OE1 3.26Å; R13-E152 IonicContact CZ-OE2 3.12Å; R13-E152 IonicContact NE-OE1 3.17Å; R13-E152 PolarHBondContact NE-OE1 3.12Å; R13-E152 IonicContact NE-OE2 2.73Å; R13-E152 PolarHBondContact NE-OE2 2.81Å; R13-E152 IonicContact NH2-OE2 2.68Å; R13-E152 PolarHBondContact NH2-OE2 2.97Å; R13-M154 PolarHBondContact NH2-SD 3.21Å
14V92.6Very high80.1Confident8 Ų890.2 Ų90.25%0.04844%0.436CS..PPolyproline II helixtrans-75.8144.7169.7-66.80000110.7S16 T54 L87 E152 F155V14-S16 PolarHBondContact O-N 3.24Å; V14-T54 HydrophobicContact CG1-CG2 4.32Å; V14-L87 HydrophobicContact CG1-CD2 3.43Å; V14-L87 VanDerWaalsContact CG1-CD2 3.43Å; V14-E152 HydrophobicContact CG2-CG 4.42Å; V14-E152 PolarHBondContact N-OE1 3.35Å; V14-F155 HydrophobicContact CG2-CD2 4.29Å; V14-F155 HydrophobicContact CG2-CE2 3.42Å; V14-F155 VanDerWaalsContact CG2-CE2 3.42Å; V14-F155 HydrophobicContact CG2-CZ 3.84Å
15P92.8Very high82.4Confident65 Ų6582.8 Ų82.842%0.42240%0.396SS..PPolyproline II helixtrans-58.3134173.6-25.836.2000112.2V17P15-V17 HydrophobicContact CB-CG2 3.78Å; P15-V17 PolarHBondContact O-N 2.59Å
16S93.4Very high85Confident61 Ų6176.3 Ų76.343%0.42737%0.374SS..THydrogen-bonded Turntrans-82.514-179.455.60000114.6V14V14-S16 PolarHBondContact O-N 3.24Å
17V96.7Very high87.5Confident32 Ų3271 Ų7119%0.19434%0.339CS..THydrogen-bonded Turntrans-83.1-23.5-175.4-64.20000113.7P15 K47 E48 V50P15-V17 HydrophobicContact CB-CG2 3.78Å; P15-V17 PolarHBondContact O-N 2.59Å; V17-K47 PolarHBondContact O-N 2.95Å; V17-E48 HydrophobicContact CB-CB 4.15Å; V17-E48 HydrophobicContact CG1-CB 4.02Å; V17-E48 HydrophobicContact CG1-CG 4.16Å; V17-V50 HydrophobicContact CB-CG1 3.76Å; V17-V50 HydrophobicContact CG2-CG1 3.48Å; V17-V50 VanDerWaalsContact CG2-CG1 3.48Å
18V97.6Very high89.8Confident4 Ų465.1 Ų65.12%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-122.4126.3169.5-175.50000106.6L44 L45 F46 V50 V53 W150V18-L44 HydrophobicContact CG1-CB 4.08Å; V18-L44 HydrophobicContact CG1-CD1 3.96Å; V18-L44 HydrophobicContact CG1-CD2 4.18Å; V18-L44 HydrophobicContact CG1-CG 4.31Å; V18-L45 WeakPolarHBondContact CA-O 3.19Å; V18-F46 HydrophobicContact CG1-CD1 4.35Å; V18-F46 HydrophobicContact CG1-CE1 4.2Å; V18-F46 HydrophobicContact CG1-CZ 4.45Å; V18-F46 HydrophobicContact CG2-CD1 3.71Å; V18-F46 HydrophobicContact CG2-CE1 3.92Å; V18-V50 HydrophobicContact CG2-CB 4.48Å; V18-V50 HydrophobicContact CG2-CG1 4.1Å; V18-V50 HydrophobicContact CG2-CG2 3.9Å; V18-V53 HydrophobicContact CG1-CG1 4.15Å; V18-V53 HydrophobicContact CG2-CG2 4.45Å; V18-W150 HydrophobicContact CB-CZ2 4.2Å; V18-W150 HydrophobicContact CG1-CH2 4.38Å; V18-W150 HydrophobicContact CG1-CZ2 3.88Å; V18-W150 PolarHBondContact O-NE1 2.71Å
19V97.4Very high91.6Very high13 Ų1358.4 Ų58.48%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-127.6142.4-178.4-56.80000111.1L44 L45 K47 F155V19-L44 WeakPolarHBondContact O-CA 3.46Å; V19-L45 HydrophobicContact CG2-CB 3.88Å; V19-L45 HydrophobicContact CG2-CD2 4.28Å; V19-L45 HydrophobicContact CG2-CG 4.45Å; V19-L45 PolarHBondContact N-O 3.49Å; V19-L45 PolarHBondContact O-N 3.09Å; V19-K47 HydrophobicContact CG1-CD 4.2Å; V19-K47 HydrophobicContact CG2-CD 4.48Å; V19-F155 HydrophobicContact CB-CD1 4.3Å; V19-F155 HydrophobicContact CG1-CD1 3.91Å; V19-F155 HydrophobicContact CG1-CE1 3.8Å
20P98.3Very high93.3Very high4 Ų452.9 Ų52.93%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-76.3145.8171.834.5-36.6000110.4Y23 V42 F43 L44 W150 F155 A157P20-Y23 HydrophobicContact CB-CD2 4.44Å; P20-Y23 HydrophobicContact CB-CE2 3.45Å; P20-Y23 VanDerWaalsContact CB-CE2 3.45Å; P20-Y23 WeakPolarHBondContact CB-OH 3.45Å; P20-Y23 HydrophobicContact CG-CE2 3.94Å; P20-Y23 WeakPolarHBondContact CG-OH 3.46Å; P20-V42 HydrophobicContact CB-CG1 4.01Å; P20-F43 CarbonylContact C-O 3.55Å; P20-F43 WeakPolarHBondContact CA-O 3.29Å; P20-L44 HydrophobicContact CB-CD2 4.39Å; P20-W150 HydrophobicContact CB-CE3 4.13Å; P20-W150 HydrophobicContact CG-CB 3.95Å; P20-W150 HydrophobicContact CG-CD2 4.16Å; P20-W150 HydrophobicContact CG-CE3 4.03Å; P20-W150 HydrophobicContact CG-CG 4.15Å; P20-F155 HydrophobicContact CG-CB 4.24Å; P20-A157 HydrophobicContact CB-CB 4.29Å; P20-A157 HydrophobicContact CG-CB 4.42Å
21T98Very high94.4Very high71 Ų7146.8 Ų46.844%0.43623%0.23SC..EExtended strand (participates in β ladder)trans-116.5-30.1173.358.70000112.4F43 L45 T158T21-F43 PolarHBondContact N-O 2.85Å; T21-F43 WeakPolarHBondContact OG1-CB 3.41Å; T21-F43 PolarHBondContact OG1-O 2.83Å; T21-L45 HydrophobicContact CG2-CB 4.08Å; T21-T158 PolarHBondContact O-N 2.7Å
22H98.4Very high95.1Very high44 Ų4447.7 Ų47.720%0.20424%0.24CC..EExtended strand (participates in β ladder)trans-154.6150.7179.2-173.366.8000110.4D24 F43 T158H22-D24 IonicContact CD2-OD1 2.95Å; H22-D24 IonicContact NE2-OD1 2.79Å; H22-D24 PolarHBondContact NE2-OD1 3.41Å; H22-D24 VanDerWaalsContact NE2-OD1 3.14Å; H22-F43 HydrophobicContact CB-CB 4.03Å; H22-F43 HydrophobicContact CB-CD2 3.83Å; H22-F43 HydrophobicContact CB-CG 4.13Å; H22-F43 AromaticContact CD2-CD2 3.71Å; H22-F43 AromaticContact CD2-CE2 3.73Å; H22-F43 PolarHBondContact O-N 2.82Å; H22-T158 CarbonylContact C-O 3.49Å; H22-T158 WeakPolarHBondContact CA-O 3.34Å; H22-T158 PolarHBondContact ND1-O 2.98Å; H22-T158 PolarHBondContact ND1-OG1 3.39Å
23Y98.5Very high95.5Very high4 Ų445.7 Ų45.72%0.01624%0.244CC..EExtended strand (participates in β ladder)trans-127.3126.2172.2-67.3-103.4000109.2P20 V42 C149 W150 A157 T158 F159 K160P20-Y23 HydrophobicContact CB-CD2 4.44Å; P20-Y23 HydrophobicContact CB-CE2 3.45Å; P20-Y23 VanDerWaalsContact CB-CE2 3.45Å; P20-Y23 WeakPolarHBondContact CB-OH 3.45Å; P20-Y23 HydrophobicContact CG-CE2 3.94Å; P20-Y23 WeakPolarHBondContact CG-OH 3.46Å; Y23-V42 HydrophobicContact CD1-CB 4.21Å; Y23-V42 HydrophobicContact CD1-CG1 3.8Å; Y23-V42 HydrophobicContact CD1-CG2 3.63Å; Y23-V42 HydrophobicContact CE1-CB 4.2Å; Y23-V42 HydrophobicContact CE1-CG1 3.48Å; Y23-V42 VanDerWaalsContact CE1-CG1 3.48Å; Y23-V42 HydrophobicContact CE1-CG2 3.67Å; Y23-V42 HydrophobicContact CE2-CG1 4.35Å; Y23-V42 HydrophobicContact CG-CG1 4.34Å; Y23-C149 HydrophobicContact CE1-CB 4.1Å; Y23-W150 PolarHBondContact OH-N 2.94Å; Y23-A157 HydrophobicContact CD2-CB 3.7Å; Y23-A157 HydrophobicContact CE2-CB 3.58Å; Y23-T158 PolarHBondContact N-O 3.45Å; Y23-F159 HydrophobicContact CD1-CE1 4.16Å; Y23-F159 HydrophobicContact CD2-CD1 4.02Å; Y23-F159 AromaticContact CD2-CE1 3.47Å; Y23-F159 HydrophobicContact CD2-CE1 3.47Å; Y23-F159 VanDerWaalsContact CD2-CE1 3.47Å; Y23-F159 HydrophobicContact CD2-CE2 4.17Å; Y23-F159 AromaticContact CD2-CZ 3.55Å; Y23-F159 HydrophobicContact CD2-CZ 3.55Å; Y23-F159 HydrophobicContact CE2-CE1 4.02Å; Y23-F159 AromaticContact CE2-CZ 3.77Å; Y23-F159 HydrophobicContact CE2-CZ 3.77Å; Y23-F159 AromaticContact CG-CD1 3.93Å; Y23-F159 HydrophobicContact CG-CD1 3.93Å; Y23-F159 AromaticContact CG-CE1 3.55Å; Y23-F159 HydrophobicContact CG-CE1 3.55Å; Y23-F159 HydrophobicContact CG-CZ 4.14Å; Y23-F159 CarbonylContact O-C 3.59Å; Y23-F159 WeakPolarHBondContact O-CA 3.44Å; Y23-K160 PolarHBondContact O-N 2.8Å
24D98.1Very high95.7Very high54 Ų5440.1 Ų40.129%0.28923%0.225SC..EExtended strand (participates in β ladder)trans-93.9103.7155.3-63.4-41000107.2H22 E40 D41 K160H22-D24 IonicContact CD2-OD1 2.95Å; H22-D24 IonicContact NE2-OD1 2.79Å; H22-D24 PolarHBondContact NE2-OD1 3.41Å; H22-D24 VanDerWaalsContact NE2-OD1 3.14Å; D24-E40 VanDerWaalsContact O-CA 3.28Å; D24-E40 WeakPolarHBondContact O-CA 3.45Å; D24-D41 HydrophobicContact CB-CB 4.01Å; D24-D41 PolarHBondContact N-O 2.97Å; D24-D41 PolarHBondContact O-N 2.89Å; D24-K160 CarbonylContact C-O 3.52Å; D24-K160 WeakPolarHBondContact CA-O 3.13Å; D24-K160 VanDerWaalsContact OD1-CB 3.28Å; D24-K160 WeakPolarHBondContact OD1-CB 3.37Å; D24-K160 WeakPolarHBondContact OD1-CD 3.29Å
25L97.8Very high95.9Very high6 Ų640.9 Ų40.93%0.03123%0.231CC..EExtended strand (participates in β ladder)trans-106.9117.3-176.3176.662.6000110.2L27 E40 F108 F147 K160 I161 T162L25-L27 HydrophobicContact CD1-CD2 4.03Å; L25-L27 HydrophobicContact CD1-CG 4.13Å; L25-L27 HydrophobicContact CD2-CD1 4.14Å; L25-L27 HydrophobicContact CD2-CG 4.39Å; L25-L27 HydrophobicContact CG-CD1 4.37Å; L25-L27 HydrophobicContact CG-CG 4.08Å; L25-E40 HydrophobicContact CD1-CB 4.07Å; L25-F108 HydrophobicContact CD1-CZ 4.11Å; L25-F147 HydrophobicContact CD1-CB 3.8Å; L25-F147 HydrophobicContact CD1-CG 4.07Å; L25-F147 HydrophobicContact CD2-CB 4.38Å; L25-F147 HydrophobicContact CD2-CD1 3.63Å; L25-F147 HydrophobicContact CD2-CD2 4.19Å; L25-F147 HydrophobicContact CD2-CE1 3.91Å; L25-F147 HydrophobicContact CD2-CE2 4.43Å; L25-F147 HydrophobicContact CD2-CG 3.8Å; L25-F147 HydrophobicContact CD2-CZ 4.3Å; L25-K160 PolarHBondContact N-O 2.87Å; L25-I161 CarbonylContact O-C 3.53Å; L25-I161 WeakPolarHBondContact O-CA 3.48Å; L25-T162 PolarHBondContact O-N 2.82Å
26K97.4Very high96.1Very high69 Ų6937.9 Ų37.930%0.321%0.211SC..EExtended strand (participates in β ladder)trans-110.2122.5173.6-178.9-168.3-62.7161.20109.8G38 E39 T162 I164K26-G38 CarbonylContact O-C 3.54Å; K26-G38 VanDerWaalsContact O-CA 3.27Å; K26-G38 WeakPolarHBondContact O-CA 3.48Å; K26-E39 HydrophobicContact CB-CB 4.27Å; K26-E39 PolarHBondContact N-O 2.89Å; K26-E39 IonicContact NZ-OE2 3.14Å; K26-E39 PolarHBondContact NZ-OE2 3.05Å; K26-E39 PolarHBondContact O-N 2.86Å; K26-T162 CarbonylContact C-O 3.57Å; K26-T162 VanDerWaalsContact CA-O 3.29Å; K26-T162 WeakPolarHBondContact CA-O 3.38Å; K26-T162 HydrophobicContact CG-CG2 3.88Å; K26-I164 HydrophobicContact CD-CD1 3.82Å; K26-I164 HydrophobicContact CG-CD1 3.94Å; K26-I164 HydrophobicContact CG-CG1 4.46Å
27L96.6Very high96.3Very high9 Ų937.7 Ų37.75%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-121.2124.5176.9-63.6173000110.7L25 F36 F108 F119 T162 L163 I164L25-L27 HydrophobicContact CD1-CD2 4.03Å; L25-L27 HydrophobicContact CD1-CG 4.13Å; L25-L27 HydrophobicContact CD2-CD1 4.14Å; L25-L27 HydrophobicContact CD2-CG 4.39Å; L25-L27 HydrophobicContact CG-CD1 4.37Å; L25-L27 HydrophobicContact CG-CG 4.08Å; L27-F36 HydrophobicContact CD2-CD2 4.26Å; L27-F108 HydrophobicContact CD2-CE2 4.07Å; L27-F108 HydrophobicContact CD2-CZ 4.05Å; L27-F119 HydrophobicContact CD1-CE1 4.15Å; L27-T162 PolarHBondContact N-O 3.32Å; L27-L163 HydrophobicContact CB-CD2 3.94Å; L27-L163 HydrophobicContact CD1-CD2 4.41Å; L27-L163 WeakPolarHBondContact O-CA 3.38Å; L27-I164 PolarHBondContact O-N 3.02Å
28K95.9Very high96.3Very high63 Ų6336.2 Ų36.227%0.27420%0.195SC..EExtended strand (participates in β ladder)trans-102116.9171.1177.3-179.4-177.8-160.50110.1L30 F36 E37 I164K28-L30 HydrophobicContact CD-CD2 4.41Å; K28-L30 HydrophobicContact CG-CD2 4.26Å; K28-F36 CarbonylContact O-C 3.23Å; K28-F36 WeakPolarHBondContact O-CA 3.44Å; K28-F36 WeakPolarHBondContact O-CB 3.44Å; K28-E37 HydrophobicContact CB-CB 4.31Å; K28-E37 PolarHBondContact N-O 3.22Å; K28-E37 IonicContact NZ-OE2 3.96Å; K28-E37 PolarHBondContact O-N 2.85Å; K28-I164 WeakPolarHBondContact CA-O 3.46Å; K28-I164 HydrophobicContact CB-CB 3.89Å; K28-I164 HydrophobicContact CB-CG2 3.93Å; K28-I164 HydrophobicContact CD-CG2 4.17Å; K28-I164 HydrophobicContact CG-CB 4.14Å; K28-I164 HydrophobicContact CG-CG2 3.64Å
29V94.9Very high96.4Very high13 Ų1340 Ų408%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-93.8123.6-176.9-171.20000109.7L31 L112 F119 A134 I164 V165V29-L31 HydrophobicContact CG1-CD2 3.73Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; V29-L112 HydrophobicContact CG1-CD1 4.26Å; V29-F119 HydrophobicContact CG2-CE1 4.18Å; V29-F119 HydrophobicContact CG2-CZ 3.63Å; V29-A134 HydrophobicContact CG1-CB 3.81Å; V29-I164 PolarHBondContact N-O 2.81Å; V29-V165 HydrophobicContact CB-CG1 4.42Å; V29-V165 HydrophobicContact CG2-CG1 4.19Å
30L94.5Very high96.4Very high60 Ų6039.5 Ų39.531%0.31421%0.209SC..EExtended strand (participates in β ladder)trans-113.188.4179.5-58.2172.1000108.6K28 D32 S33 D34 S35K28-L30 HydrophobicContact CD-CD2 4.41Å; K28-L30 HydrophobicContact CG-CD2 4.26Å; L30-D32 VanDerWaalsContact C-N 3.29Å; L30-D32 PolarHBondContact O-N 3.35Å; L30-S33 WeakPolarHBondContact CB-OG 3.37Å; L30-S33 PolarHBondContact O-N 2.93Å; L30-D34 PolarHBondContact O-N 2.72Å; L30-S35 CarbonylContact C-O 3.56Å; L30-S35 WeakPolarHBondContact CA-O 3.39Å; L30-S35 WeakPolarHBondContact CB-O 3.16Å; L30-S35 PolarHBondContact N-O 3.05Å; L30-S35 PolarHBondContact O-N 2.75Å
31L91.8Very high96.4Very high15 Ų1541.1 Ų41.18%0.07922%0.218CC..THydrogen-bonded Turntrans-70-23-174-66.7179000113.8V29 L112 K132 A134 P166 K169V29-L31 HydrophobicContact CG1-CD2 3.73Å; V29-L31 HydrophobicContact CG1-CG 4.09Å; L31-L112 HydrophobicContact CD2-CD1 4.22Å; L31-K132 PolarHBondContact O-NZ 2.74Å; L31-A134 HydrophobicContact CD2-CB 3.99Å; L31-P166 HydrophobicContact CD1-CG 4.33Å; L31-K169 HydrophobicContact CD1-CD 4.33Å; L31-K169 HydrophobicContact CD1-CG 4.22Å
32D90.9Very high96.5Very high138 Ų13837.8 Ų37.874%0.73820%0.197SC*.THydrogen-bonded Turntrans-74.7-36.8179.4-67.4-18.1000112L30L30-D32 VanDerWaalsContact C-N 3.29Å; L30-D32 PolarHBondContact O-N 3.35Å
33S93.6Very high96.5Very high73 Ų7339.5 Ų39.551%0.5120%0.204SC..THydrogen-bonded Turntrans-95.86.9178.256.20000113.9L30 S35L30-S33 WeakPolarHBondContact CB-OG 3.37Å; L30-S33 PolarHBondContact O-N 2.93Å; S33-S35 PolarHBondContact O-N 3.24Å; S33-S35 PolarHBondContact OG-OG 3.14Å
34D94.5Very high96.5Very high36 Ų3639.4 Ų39.419%0.19320%0.204CC..THydrogen-bonded Turntrans47.244.5-174.1-63.5-15.8000112L30 L112 K114 I121 K132L30-D34 PolarHBondContact O-N 2.72Å; D34-L112 PolarHBondContact O-N 2.73Å; D34-K114 IonicContact OD2-NZ 3.86Å; D34-I121 WeakPolarHBondContact OD1-CD1 3.39Å; D34-K132 IonicContact OD1-NZ 2.7Å; D34-K132 PolarHBondContact OD1-NZ 3.23Å
35S96.3Very high96.5Very high24 Ų2439.2 Ų39.217%0.16820%0.203CC..EExtended strand (participates in β ladder)trans-140.3172.7-173.168.90000112.8L30 S33 G110L30-S35 CarbonylContact C-O 3.56Å; L30-S35 WeakPolarHBondContact CA-O 3.39Å; L30-S35 WeakPolarHBondContact CB-O 3.16Å; L30-S35 PolarHBondContact N-O 3.05Å; L30-S35 PolarHBondContact O-N 2.75Å; S33-S35 PolarHBondContact O-N 3.24Å; S33-S35 PolarHBondContact OG-OG 3.14Å; S35-G110 WeakPolarHBondContact CA-O 3.28Å; S35-G110 WeakPolarHBondContact CB-O 3.15Å
36F97Very high96.4Very high2 Ų238.9 Ų38.91%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-143.9154.9172.662.2-91.1000111.2L27 K28 F108 T109 G110 K111 L112 F119 A146L27-F36 HydrophobicContact CD2-CD2 4.26Å; K28-F36 CarbonylContact O-C 3.23Å; K28-F36 WeakPolarHBondContact O-CA 3.44Å; K28-F36 WeakPolarHBondContact O-CB 3.44Å; F36-F108 HydrophobicContact CD2-CE2 4.49Å; F36-F108 HydrophobicContact CE2-CD2 4.31Å; F36-F108 AromaticContact CE2-CE2 4Å; F36-F108 HydrophobicContact CE2-CE2 4Å; F36-T109 WeakPolarHBondContact O-CA 3.44Å; F36-G110 VanDerWaalsContact CZ-CA 3.49Å; F36-G110 PolarHBondContact N-O 3.4Å; F36-G110 PolarHBondContact O-N 3.39Å; F36-K111 WeakPolarHBondContact CE1-O 3.49Å; F36-L112 HydrophobicContact CD1-CD2 3.88Å; F36-L112 HydrophobicContact CD1-CG 4.27Å; F36-F119 HydrophobicContact CB-CD1 4.39Å; F36-F119 HydrophobicContact CB-CE1 4.07Å; F36-F119 AromaticContact CD1-CD1 3.58Å; F36-F119 HydrophobicContact CD1-CD1 3.58Å; F36-F119 HydrophobicContact CD1-CE1 4.11Å; F36-F119 HydrophobicContact CD1-CG 4.33Å; F36-F119 HydrophobicContact CD2-CD1 4.3Å; F36-F119 HydrophobicContact CE1-CB 4.18Å; F36-F119 AromaticContact CE1-CD1 3.82Å; F36-F119 HydrophobicContact CE1-CD1 3.82Å; F36-F119 HydrophobicContact CE1-CG 4.36Å; F36-F119 AromaticContact CG-CD1 3.83Å; F36-F119 HydrophobicContact CG-CD1 3.83Å; F36-F119 AromaticContact CG-CE1 4Å; F36-F119 HydrophobicContact CG-CE1 4Å; F36-F119 HydrophobicContact CZ-CD1 4.29Å; F36-A146 WeakPolarHBondContact CE2-O 3.35Å
37E97.8Very high96.4Very high57 Ų5740.4 Ų40.427%0.26621%0.208SC..EExtended strand (participates in β ladder)trans-115.7140.2171.9179.5-179.9-171.200108.1K28 H107 T109K28-E37 HydrophobicContact CB-CB 4.31Å; K28-E37 PolarHBondContact N-O 3.22Å; K28-E37 IonicContact NZ-OE2 3.96Å; K28-E37 PolarHBondContact O-N 2.85Å; E37-H107 IonicContact OE1-CD2 2.77Å; E37-H107 IonicContact OE1-CE1 3.88Å; E37-H107 IonicContact OE1-NE2 3.5Å; E37-H107 PolarHBondContact OE1-NE2 2.91Å; E37-T109 HydrophobicContact CB-CG2 4.37Å; E37-T109 HydrophobicContact CG-CG2 4.38Å
38G98Very high96.5Very high1 Ų145.3 Ų45.31%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-132.3141.6-176.800000112.7K26 H107 F108K26-G38 CarbonylContact O-C 3.54Å; K26-G38 VanDerWaalsContact O-CA 3.27Å; K26-G38 WeakPolarHBondContact O-CA 3.48Å; G38-H107 WeakPolarHBondContact O-CA 3.25Å; G38-F108 PolarHBondContact N-O 2.78Å; G38-F108 PolarHBondContact O-N 2.85Å
39E98.4Very high96.5Very high84 Ų8450.8 Ų50.839%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-121.9133.5164.6-68.2167.5-155.200107.2K26 L106K26-E39 HydrophobicContact CB-CB 4.27Å; K26-E39 PolarHBondContact N-O 2.89Å; K26-E39 IonicContact NZ-OE2 3.14Å; K26-E39 PolarHBondContact NZ-OE2 3.05Å; K26-E39 PolarHBondContact O-N 2.86Å; E39-L106 WeakPolarHBondContact CA-O 3.36Å
40E98.2Very high96.6Very high2 Ų250.7 Ų50.71%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-133.8141.2170.666.1-176.5-178.100112.4D24 L25 V42 K105 L106 F108 P148D24-E40 VanDerWaalsContact O-CA 3.28Å; D24-E40 WeakPolarHBondContact O-CA 3.45Å; L25-E40 HydrophobicContact CD1-CB 4.07Å; E40-V42 HydrophobicContact CB-CG2 4.35Å; E40-V42 HydrophobicContact CG-CG2 3.89Å; E40-K105 CarbonylContact O-C 3.59Å; E40-K105 VanDerWaalsContact O-CA 3.28Å; E40-K105 WeakPolarHBondContact O-CA 3.39Å; E40-L106 HydrophobicContact CG-CB 3.76Å; E40-L106 HydrophobicContact CG-CD1 4.27Å; E40-L106 HydrophobicContact CG-CG 4.41Å; E40-L106 PolarHBondContact N-O 3.38Å; E40-L106 PolarHBondContact O-N 2.66Å; E40-L106 WeakPolarHBondContact OE1-CD1 3.28Å; E40-F108 HydrophobicContact CB-CE1 4.28Å; E40-F108 HydrophobicContact CG-CE1 3.9Å; E40-P148 WeakPolarHBondContact OE1-CB 3.44Å; E40-P148 WeakPolarHBondContact OE1-CD 3.44Å
41D98.5Very high96.7Very high39 Ų3950.7 Ų50.721%0.20925%0.254CS..EExtended strand (participates in β ladder)trans-113.3102.6171.7-90.717.5000106.6D24 L103 K105D24-D41 HydrophobicContact CB-CB 4.01Å; D24-D41 PolarHBondContact N-O 2.97Å; D24-D41 PolarHBondContact O-N 2.89Å; D41-L103 HydrophobicContact CB-CD1 3.92Å; D41-K105 VanDerWaalsContact OD1-CG 3.25Å; D41-K105 WeakPolarHBondContact OD1-CG 3.28Å; D41-K105 IonicContact OD1-NZ 2.73Å; D41-K105 PolarHBondContact OD1-NZ 2.74Å; D41-K105 IonicContact OD2-NZ 2.75Å; D41-K105 PolarHBondContact OD2-NZ 3.33Å
42V98.6Very high97Very high1 Ų151.9 Ų51.91%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-100.7116.6-176.7-165.50000110P20 Y23 E40 L44 L104 W150P20-V42 HydrophobicContact CB-CG1 4.01Å; Y23-V42 HydrophobicContact CD1-CB 4.21Å; Y23-V42 HydrophobicContact CD1-CG1 3.8Å; Y23-V42 HydrophobicContact CD1-CG2 3.63Å; Y23-V42 HydrophobicContact CE1-CB 4.2Å; Y23-V42 HydrophobicContact CE1-CG1 3.48Å; Y23-V42 VanDerWaalsContact CE1-CG1 3.48Å; Y23-V42 HydrophobicContact CE1-CG2 3.67Å; Y23-V42 HydrophobicContact CE2-CG1 4.35Å; Y23-V42 HydrophobicContact CG-CG1 4.34Å; E40-V42 HydrophobicContact CB-CG2 4.35Å; E40-V42 HydrophobicContact CG-CG2 3.89Å; V42-L44 HydrophobicContact CB-CD2 4.39Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 4.4Å; V42-L104 HydrophobicContact CB-CB 4.3Å; V42-L104 PolarHBondContact N-O 2.99Å; V42-L104 PolarHBondContact O-N 2.9Å; V42-W150 HydrophobicContact CG1-CZ3 4.2Å
43F98.6Very high97.3Very high79 Ų7945.4 Ų45.435%0.34623%0.229SC..EExtended strand (participates in β ladder)trans-81.2120.1173.9-66.5-102.4000109P20 T21 H22 L103P20-F43 CarbonylContact C-O 3.55Å; P20-F43 WeakPolarHBondContact CA-O 3.29Å; T21-F43 PolarHBondContact N-O 2.85Å; T21-F43 WeakPolarHBondContact OG1-CB 3.41Å; T21-F43 PolarHBondContact OG1-O 2.83Å; H22-F43 HydrophobicContact CB-CB 4.03Å; H22-F43 HydrophobicContact CB-CD2 3.83Å; H22-F43 HydrophobicContact CB-CG 4.13Å; H22-F43 AromaticContact CD2-CD2 3.71Å; H22-F43 AromaticContact CD2-CE2 3.73Å; H22-F43 PolarHBondContact O-N 2.82Å; F43-L103 HydrophobicContact CD1-CD1 4.28Å; F43-L103 HydrophobicContact CD2-CD1 4.03Å; F43-L103 HydrophobicContact CE1-CD1 4.18Å; F43-L103 HydrophobicContact CE2-CD1 3.91Å; F43-L103 HydrophobicContact CG-CD1 4.22Å; F43-L103 HydrophobicContact CZ-CD1 3.99Å
44L98.4Very high97.5Very high2 Ų243 Ų431%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-113.4142-174-59.9-179.8000111.7V18 V19 P20 V42 F46 V53 L67 K101 G102 L104 W150V18-L44 HydrophobicContact CG1-CB 4.08Å; V18-L44 HydrophobicContact CG1-CD1 3.96Å; V18-L44 HydrophobicContact CG1-CD2 4.18Å; V18-L44 HydrophobicContact CG1-CG 4.31Å; V19-L44 WeakPolarHBondContact O-CA 3.46Å; P20-L44 HydrophobicContact CB-CD2 4.39Å; V42-L44 HydrophobicContact CB-CD2 4.39Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 4.4Å; L44-F46 HydrophobicContact CB-CE2 3.96Å; L44-F46 HydrophobicContact CB-CZ 4.45Å; L44-F46 HydrophobicContact CD1-CZ 4.27Å; L44-V53 HydrophobicContact CD1-CG1 4.21Å; L44-L67 HydrophobicContact CD1-CD1 4.4Å; L44-K101 VanDerWaalsContact O-CA 3.29Å; L44-K101 WeakPolarHBondContact O-CA 3.27Å; L44-G102 PolarHBondContact N-O 2.84Å; L44-G102 PolarHBondContact O-N 3.14Å; L44-L104 HydrophobicContact CD1-CB 3.61Å; L44-L104 HydrophobicContact CD1-CD2 4.06Å; L44-L104 HydrophobicContact CD1-CG 4.45Å; L44-L104 HydrophobicContact CG-CB 4.21Å; L44-W150 HydrophobicContact CD1-CH2 4.08Å; L44-W150 HydrophobicContact CD2-CE3 4.43Å; L44-W150 HydrophobicContact CD2-CH2 3.35Å; L44-W150 HydrophobicContact CD2-CZ2 4.13Å; L44-W150 HydrophobicContact CD2-CZ3 3.53Å; L44-W150 HydrophobicContact CG-CH2 4.37Å
45L97.8Very high97.7Very high50 Ų5041.3 Ų41.326%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-109.7120.1165.3176.867.8000109.5V18 V19 T21 K47 K101V18-L45 WeakPolarHBondContact CA-O 3.19Å; V19-L45 HydrophobicContact CG2-CB 3.88Å; V19-L45 HydrophobicContact CG2-CD2 4.28Å; V19-L45 HydrophobicContact CG2-CG 4.45Å; V19-L45 PolarHBondContact N-O 3.49Å; V19-L45 PolarHBondContact O-N 3.09Å; T21-L45 HydrophobicContact CG2-CB 4.08Å; L45-K47 HydrophobicContact CD2-CG 4.31Å; L45-K47 HydrophobicContact CG-CG 4.34Å; L45-K47 PolarHBondContact O-N 2.81Å; L45-K101 HydrophobicContact CD1-CG 4.32Å
46F97.4Very high97.7Very high0 Ų040.3 Ų40.30%020%0.195CC..EExtended strand (participates in β ladder)trans-88.699175.1-65.1-96.8000108.6V18 L44 V50 V53 L67 M69 L92 I96 A98 N99 Q100V18-F46 HydrophobicContact CG1-CD1 4.35Å; V18-F46 HydrophobicContact CG1-CE1 4.2Å; V18-F46 HydrophobicContact CG1-CZ 4.45Å; V18-F46 HydrophobicContact CG2-CD1 3.71Å; V18-F46 HydrophobicContact CG2-CE1 3.92Å; L44-F46 HydrophobicContact CB-CE2 3.96Å; L44-F46 HydrophobicContact CB-CZ 4.45Å; L44-F46 HydrophobicContact CD1-CZ 4.27Å; F46-V50 HydrophobicContact CD1-CG2 3.49Å; F46-V50 VanDerWaalsContact CD1-CG2 3.49Å; F46-V50 HydrophobicContact CE1-CG2 3.88Å; F46-V53 HydrophobicContact CE1-CG2 3.98Å; F46-V53 HydrophobicContact CZ-CG2 4.31Å; F46-L67 HydrophobicContact CZ-CD1 4.13Å; F46-L67 HydrophobicContact CZ-CD2 3.93Å; F46-M69 HydrophobicContact CD2-SD 4.2Å; F46-M69 HydrophobicContact CE2-SD 4.18Å; F46-L92 HydrophobicContact CE1-CD1 4.29Å; F46-I96 HydrophobicContact CB-CG2 4.19Å; F46-I96 HydrophobicContact CD1-CB 4.17Å; F46-I96 HydrophobicContact CD1-CG2 3.72Å; F46-I96 HydrophobicContact CD2-CG2 4.29Å; F46-I96 HydrophobicContact CE1-CB 4.39Å; F46-I96 HydrophobicContact CE1-CG1 4.46Å; F46-I96 HydrophobicContact CE1-CG2 4.15Å; F46-I96 HydrophobicContact CG-CG2 3.8Å; F46-A98 CarbonylContact O-C 3.54Å; F46-N99 WeakPolarHBondContact O-CA 3.36Å; F46-N99 PolarHBondContact O-N 2.96Å; F46-Q100 HydrophobicContact CB-CB 4.24Å; F46-Q100 HydrophobicContact CD2-CB 4.35Å; F46-Q100 PolarHBondContact N-O 2.79Å; F46-Q100 PolarHBondContact O-N 2.8Å
47K97.2Very high97.7Very high101 Ų10140.5 Ų40.544%0.43920%0.196SC..  trans-75.2-32.3-176-66.8-174.6178.6173.50112.8V17 V19 L45 A98V17-K47 PolarHBondContact O-N 2.95Å; V19-K47 HydrophobicContact CG1-CD 4.2Å; V19-K47 HydrophobicContact CG2-CD 4.48Å; L45-K47 HydrophobicContact CD2-CG 4.31Å; L45-K47 HydrophobicContact CG-CG 4.34Å; L45-K47 PolarHBondContact O-N 2.81Å; K47-A98 WeakPolarHBondContact O-CB 3.1Å
48E97.4Very high97.5Very high112 Ų11238.5 Ų38.552%0.52319%0.191SC..SBendtrans-128.6171.8-178.8-65.9-179.1-146.800110.6V17 V50V17-E48 HydrophobicContact CB-CB 4.15Å; V17-E48 HydrophobicContact CG1-CB 4.02Å; V17-E48 HydrophobicContact CG1-CG 4.16Å; E48-V50 PolarHBondContact O-N 2.82Å
49R97.5Very high97.2Very high177 Ų17742.6 Ų42.667%0.66822%0.22SC*.  trans-67.5126.9170.6175.4179-75.2133.4-3.6109.1D95 I96R49-D95 HydrophobicContact CG-CB 4.32Å; R49-I96 CarbonylContact C-O 3.59Å; R49-I96 WeakPolarHBondContact CA-O 3.23Å
50V97.1Very high97.1Very high11 Ų1139 Ų397%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-136.9150.7-179-58.40000112.4V17 V18 F46 E48 L92 D95 I96V17-V50 HydrophobicContact CB-CG1 3.76Å; V17-V50 HydrophobicContact CG2-CG1 3.48Å; V17-V50 VanDerWaalsContact CG2-CG1 3.48Å; V18-V50 HydrophobicContact CG2-CB 4.48Å; V18-V50 HydrophobicContact CG2-CG1 4.1Å; V18-V50 HydrophobicContact CG2-CG2 3.9Å; F46-V50 HydrophobicContact CD1-CG2 3.49Å; F46-V50 VanDerWaalsContact CD1-CG2 3.49Å; F46-V50 HydrophobicContact CE1-CG2 3.88Å; E48-V50 PolarHBondContact O-N 2.82Å; V50-L92 HydrophobicContact CG2-CD1 4.23Å; V50-D95 WeakPolarHBondContact O-CA 3.4Å; V50-I96 HydrophobicContact CG2-CB 4.25Å; V50-I96 PolarHBondContact N-O 2.77Å; V50-I96 PolarHBondContact O-N 2.96Å
51S96.4Very high97Very high61 Ų6143.8 Ų43.843%0.42723%0.227SC..EExtended strand (participates in β ladder)trans-111.71.2173.459.10000112.8L92 D95S51-L92 WeakPolarHBondContact O-CB 3.45Å; S51-L92 PolarHBondContact O-N 2.93Å; S51-D95 WeakPolarHBondContact CB-OD1 3.47Å
52S97.3Very high97Very high40 Ų4042.5 Ų42.528%0.2822%0.22SC..EExtended strand (participates in β ladder)trans-153.2158.2179.2620000112.3I90S52-I90 CarbonylContact C-O 3.49Å; S52-I90 WeakPolarHBondContact CA-O 3.12Å; S52-I90 VanDerWaalsContact CB-O 3.29Å; S52-I90 WeakPolarHBondContact CB-O 3.33Å
53V97.8Very high96.9Very high2 Ų247.4 Ų47.41%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-119.2123.4171.5-176.20000108V18 L44 F46 F55 T89 I90 L92 W150V18-V53 HydrophobicContact CG1-CG1 4.15Å; V18-V53 HydrophobicContact CG2-CG2 4.45Å; L44-V53 HydrophobicContact CD1-CG1 4.21Å; F46-V53 HydrophobicContact CE1-CG2 3.98Å; F46-V53 HydrophobicContact CZ-CG2 4.31Å; V53-F55 HydrophobicContact CG1-CD1 4.15Å; V53-F55 HydrophobicContact CG1-CE1 4.5Å; V53-T89 CarbonylContact O-C 3.41Å; V53-T89 WeakPolarHBondContact O-CA 3.4Å; V53-I90 PolarHBondContact N-O 2.94Å; V53-I90 PolarHBondContact O-N 2.89Å; V53-L92 HydrophobicContact CG2-CD1 4.06Å; V53-L92 HydrophobicContact CG2-CD2 4.13Å; V53-L92 HydrophobicContact CG2-CG 4.38Å; V53-W150 HydrophobicContact CG1-CH2 3.54Å; V53-W150 HydrophobicContact CG1-CZ2 3.56Å
54T97.9Very high96.8Very high21 Ų2148 Ų4813%0.12924%0.243CC..EExtended strand (participates in β ladder)trans-121.3131.6-179.9-57.30000109.8V14 L87 A88 T89 W150V14-T54 HydrophobicContact CG1-CG2 4.32Å; T54-L87 HydrophobicContact CG2-CB 4.32Å; T54-L87 HydrophobicContact CG2-CD1 4.3Å; T54-L87 HydrophobicContact CG2-CD2 4.34Å; T54-A88 WeakPolarHBondContact CA-O 3.32Å; T54-T89 WeakPolarHBondContact CG2-OG1 3.3Å; T54-T89 WeakPolarHBondContact OG1-CG2 3.45Å; T54-T89 PolarHBondContact OG1-OG1 3.37Å; T54-W150 PolarHBondContact O-NE1 2.92Å
55F97.9Very high96.8Very high1 Ų148 Ų480%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-142.4168.4179.548-95.4000110.2V53 C57 I62 L87 A88 I90 L104 L106 P148 W150V53-F55 HydrophobicContact CG1-CD1 4.15Å; V53-F55 HydrophobicContact CG1-CE1 4.5Å; F55-C57 HydrophobicContact CE2-CB 4.49Å; F55-I62 HydrophobicContact CE2-CD1 3.83Å; F55-I62 HydrophobicContact CZ-CD1 4.11Å; F55-L87 WeakPolarHBondContact O-CA 3.16Å; F55-A88 HydrophobicContact CD2-CB 4.14Å; F55-A88 HydrophobicContact CE2-CB 3.61Å; F55-A88 HydrophobicContact CZ-CB 4.06Å; F55-A88 PolarHBondContact N-O 2.86Å; F55-A88 PolarHBondContact O-N 3.01Å; F55-I90 HydrophobicContact CE1-CD1 3.76Å; F55-I90 HydrophobicContact CE1-CG1 4.1Å; F55-I90 HydrophobicContact CZ-CD1 4Å; F55-I90 HydrophobicContact CZ-CG1 4.3Å; F55-L104 HydrophobicContact CD1-CD2 4.37Å; F55-L104 HydrophobicContact CE1-CD2 4Å; F55-L106 HydrophobicContact CE1-CD1 4.48Å; F55-L106 HydrophobicContact CE2-CD1 4.32Å; F55-L106 HydrophobicContact CZ-CD1 3.98Å; F55-P148 HydrophobicContact CD2-CB 3.68Å; F55-P148 HydrophobicContact CE2-CB 3.53Å; F55-W150 HydrophobicContact CB-CD2 4.01Å; F55-W150 HydrophobicContact CB-CE3 3.94Å; F55-W150 HydrophobicContact CB-CH2 4.18Å; F55-W150 HydrophobicContact CB-CZ2 4.26Å; F55-W150 HydrophobicContact CB-CZ3 4.03Å; F55-W150 HydrophobicContact CD1-CH2 4.07Å; F55-W150 HydrophobicContact CD1-CZ3 4.36Å; F55-W150 HydrophobicContact CG-CZ3 4.48Å
56H97.6Very high96.8Very high4 Ų445.8 Ų45.82%0.01923%0.232CC..EExtended strand (participates in β ladder)trans-76.6134.9175.7-63.5105.5000111.1D86 L87 R144 P148 C149 D151 E152H56-D86 CarbonylContact C-O 3.51Å; H56-D86 VanDerWaalsContact CA-O 3.25Å; H56-D86 WeakPolarHBondContact CA-O 3.3Å; H56-L87 VanDerWaalsContact CD2-CD2 3.42Å; H56-L87 WeakPolarHBondContact CD2-CD2 3.49Å; H56-R144 HydrophobicContact CB-CB 3.66Å; H56-R144 PolarHBondContact CD2-NH1 3.42Å; H56-R144 PolarHBondContact NE2-NH1 2.82Å; H56-P148 WeakPolarHBondContact O-CA 3.34Å; H56-C149 WeakPolarHBondContact CA-O 3.32Å; H56-C149 VanDerWaalsContact CB-O 3.22Å; H56-C149 WeakPolarHBondContact CB-O 3.35Å; H56-C149 PolarHBondContact N-O 2.88Å; H56-C149 PolarHBondContact O-N 3.23Å; H56-D151 HydrophobicContact CB-CB 3.87Å; H56-D151 PolarHBondContact ND1-N 3.16Å; H56-D151 VanDerWaalsContact ND1-N 3.16Å; H56-E152 VanDerWaalsContact CE1-CG 3.48Å; H56-E152 WeakPolarHBondContact CE1-CG 3.38Å; H56-E152 IonicContact CE1-OE1 2.64Å
57C96.4Very high96.9Very high5 Ų545.9 Ų45.93%0.03423%0.233CC..  trans-149.4106.5176.8-176.10000107.6F55 D86 A88F55-C57 HydrophobicContact CE2-CB 4.49Å; C57-D86 PolarHBondContact N-O 3.41Å; C57-D86 CarbonylContact O-C 3.51Å; C57-D86 VanDerWaalsContact O-C 3.23Å; C57-D86 WeakPolarHBondContact O-CA 3.47Å; C57-A88 HydrophobicContact CB-CB 3.6Å
58G93.8Very high96.9Very high16 Ų1648.5 Ų48.517%0.16524%0.24CC..SBendtrans-87.4-118.217800000111.2I60 R144 N145G58-I60 PolarHBondContact O-N 2.93Å; G58-R144 PolarHBondContact N-O 2.87Å; G58-N145 WeakPolarHBondContact CA-OD1 3.26Å
59S91.7Very high96.7Very high87 Ų8743.5 Ų43.561%0.60822%0.216SC*.SBendtrans-80.938.9-174.8-57.50000114.4N145S59-N145 PolarHBondContact N-OD1 2.85Å
60I95Very high96.3Very high7 Ų738.6 Ų38.64%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-113.8145.8-177.7-60.9175.1000109.8G58 F108 R144 N145 P148G58-I60 PolarHBondContact O-N 2.93Å; I60-F108 HydrophobicContact CG2-CB 3.55Å; I60-F108 HydrophobicContact CG2-CD2 3.56Å; I60-F108 HydrophobicContact CG2-CG 3.79Å; I60-R144 WeakPolarHBondContact CD1-O 3.33Å; I60-N145 WeakPolarHBondContact CG1-O 3.45Å; I60-P148 HydrophobicContact CG2-CG 4.42Å
61I96.8Very high95.9Very high103 Ų10344.6 Ų44.653%0.52826%0.258SS..EExtended strand (participates in β ladder)trans-109.9114.3172.5-58.1172.9000108F108 T109I61-F108 CarbonylContact O-C 3.56Å; I61-F108 WeakPolarHBondContact O-CA 3.47Å; I61-F108 VanDerWaalsContact O-CB 3.3Å; I61-F108 WeakPolarHBondContact O-CB 3.3Å; I61-T109 PolarHBondContact N-O 3.23Å; I61-T109 PolarHBondContact O-N 3.38Å
62I97.9Very high95.7Very high13 Ų1346.6 Ų46.67%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-86.8120.4173.4-52.4166.5000108.1F55 W64 I79 Y81 A88 L106 H107 F108 P148F55-I62 HydrophobicContact CE2-CD1 3.83Å; F55-I62 HydrophobicContact CZ-CD1 4.11Å; I62-W64 WeakPolarHBondContact CG2-O 3.47Å; I62-I79 HydrophobicContact CB-CD1 3.53Å; I62-I79 HydrophobicContact CD1-CD1 3.93Å; I62-I79 HydrophobicContact CD1-CG2 4.49Å; I62-I79 HydrophobicContact CG1-CD1 4.34Å; I62-I79 HydrophobicContact CG2-CD1 3.28Å; I62-Y81 VanDerWaalsContact CB-OH 3.31Å; I62-Y81 WeakPolarHBondContact CB-OH 3.45Å; I62-Y81 PolarHBondContact N-OH 3.22Å; I62-Y81 VanDerWaalsContact N-OH 3.12Å; I62-Y81 PolarHBondContact O-OH 3.45Å; I62-A88 HydrophobicContact CD1-CB 4.46Å; I62-L106 HydrophobicContact CG2-CB 4.48Å; I62-L106 HydrophobicContact CG2-CD2 3.92Å; I62-H107 CarbonylContact C-O 3.58Å; I62-H107 WeakPolarHBondContact CG2-O 3.34Å; I62-F108 HydrophobicContact CG1-CB 4.25Å; I62-P148 HydrophobicContact CD1-CB 4.24Å; I62-P148 HydrophobicContact CD1-CG 3.86Å; I62-P148 HydrophobicContact CG1-CG 3.94Å
63H97.3Very high95.6Very high104 Ų10450.4 Ų50.448%0.48127%0.274SS..EExtended strand (participates in β ladder)trans-87-34.4-179.6-62.6-64000112.1H107 T109H63-H107 AromaticContact CD2-CE1 3.83Å; H63-H107 AromaticContact CD2-ND1 3.58Å; H63-H107 AromaticContact CG-ND1 3.97Å; H63-H107 PolarHBondContact N-O 2.81Å; H63-T109 VanDerWaalsContact NE2-CG2 3.26Å; H63-T109 WeakPolarHBondContact NE2-CG2 3.22Å; H63-T109 PolarHBondContact NE2-OG1 3.01Å
64W96.6Very high95.6Very high91 Ų9151.9 Ų51.935%0.34528%0.28SS..EExtended strand (participates in β ladder)trans-150.4147.4-177.8177.287.4000112.1I62 S66 D76 K105 L106 H107I62-W64 WeakPolarHBondContact CG2-O 3.47Å; W64-S66 WeakPolarHBondContact CH2-OG 3.18Å; W64-S66 WeakPolarHBondContact CZ2-OG 3.35Å; W64-S66 WeakPolarHBondContact CZ3-OG 3.43Å; W64-D76 PolarHBondContact NE1-OD1 3.43Å; W64-K105 HydrophobicContact CH2-CB 4.08Å; W64-K105 HydrophobicContact CH2-CD 4.3Å; W64-K105 HydrophobicContact CZ3-CB 3.6Å; W64-K105 HydrophobicContact CZ3-CD 4.49Å; W64-L106 WeakPolarHBondContact O-CA 3.45Å; W64-H107 HydrophobicContact CB-CB 4.42Å; W64-H107 PolarHBondContact N-O 2.84Å; W64-H107 PolarHBondContact O-N 2.91Å
65A98.2Very high95.5Very high1 Ų154.3 Ų54.31%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-140138.6175.600000111.6D76 L77 I79 I90 K105 L106A65-D76 PolarHBondContact O-N 2.84Å; A65-D76 VanDerWaalsContact O-N 3.13Å; A65-L77 HydrophobicContact CB-CB 4.08Å; A65-L77 PolarHBondContact O-N 2.85Å; A65-I79 HydrophobicContact CB-CD1 4.02Å; A65-I79 HydrophobicContact CB-CG1 4.35Å; A65-I90 HydrophobicContact CB-CD1 3.97Å; A65-K105 CarbonylContact C-O 3.58Å; A65-K105 VanDerWaalsContact CA-O 3.32Å; A65-K105 WeakPolarHBondContact CA-O 3.37Å; A65-L106 HydrophobicContact CB-CD2 3.41Å; A65-L106 VanDerWaalsContact CB-CD2 3.41Å
66S98.2Very high95.4Very high5 Ų559.8 Ų59.84%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-136.9153.5167.765.70000112.3W64 F74 L104 K105W64-S66 WeakPolarHBondContact CH2-OG 3.18Å; W64-S66 WeakPolarHBondContact CZ2-OG 3.35Å; W64-S66 WeakPolarHBondContact CZ3-OG 3.43Å; S66-F74 CarbonylContact C-O 3.6Å; S66-F74 WeakPolarHBondContact CA-O 3.47Å; S66-F74 WeakPolarHBondContact CB-O 2.97Å; S66-L104 CarbonylContact O-C 3.59Å; S66-L104 WeakPolarHBondContact O-CA 3.45Å; S66-L104 WeakPolarHBondContact O-CD1 3.48Å; S66-K105 PolarHBondContact N-O 2.75Å; S66-K105 PolarHBondContact O-N 3.02Å; S66-K105 WeakPolarHBondContact OG-CB 2.84Å
67L98.3Very high95.3Very high2 Ų260.3 Ų60.31%0.0133%0.33CS..EExtended strand (participates in β ladder)trans-127.9118.7173.6179.968.7000109.4L44 F46 F74 L77 L92 L103 L104L44-L67 HydrophobicContact CD1-CD1 4.4Å; F46-L67 HydrophobicContact CZ-CD1 4.13Å; F46-L67 HydrophobicContact CZ-CD2 3.93Å; L67-F74 HydrophobicContact CB-CD2 4.34Å; L67-F74 HydrophobicContact CD2-CD2 4.36Å; L67-F74 PolarHBondContact N-O 2.85Å; L67-F74 PolarHBondContact O-N 2.73Å; L67-L77 HydrophobicContact CB-CD1 3.68Å; L67-L92 HydrophobicContact CD2-CD1 4.45Å; L67-L92 HydrophobicContact CD2-CD2 3.56Å; L67-L103 WeakPolarHBondContact CA-O 3.3Å; L67-L104 HydrophobicContact CD1-CB 4.19Å
68R97.5Very high95.3Very high156 Ų15666.9 Ų66.959%0.58936%0.36SS*.EExtended strand (participates in β ladder)trans-106.5131.5172.6-174.7179.8178.6-174.60.4110.5Y72 G102 L103R68-Y72 WeakPolarHBondContact CA-O 3.19Å; R68-G102 CarbonylContact O-C 3.51Å; R68-G102 VanDerWaalsContact O-CA 3.27Å; R68-G102 WeakPolarHBondContact O-CA 3.4Å; R68-L103 PolarHBondContact N-O 2.92Å; R68-L103 PolarHBondContact O-N 2.89Å
69M93.8Very high95.4Very high7 Ų767.2 Ų67.23%0.03436%0.358CS..EExtended strand (participates in β ladder)trans-158.7117.5178.3168.6176.474.100110.9F46 T71 Y72 I96 Q100 K101F46-M69 HydrophobicContact CD2-SD 4.2Å; F46-M69 HydrophobicContact CE2-SD 4.18Å; M69-T71 PolarHBondContact O-N 2.87Å; M69-T71 VanDerWaalsContact O-N 3.12Å; M69-Y72 HydrophobicContact CE-CD2 3.76Å; M69-Y72 HydrophobicContact CE-CE2 4.35Å; M69-Y72 PolarHBondContact N-O 2.78Å; M69-Y72 WeakPolarHBondContact O-CA 3.49Å; M69-Y72 WeakPolarHBondContact O-CB 2.82Å; M69-Y72 PolarHBondContact O-N 2.92Å; M69-I96 HydrophobicContact CE-CB 4.04Å; M69-I96 HydrophobicContact CE-CD1 3.28Å; M69-I96 HydrophobicContact CE-CG1 3.69Å; M69-I96 HydrophobicContact CE-CG2 3.31Å; M69-I96 HydrophobicContact SD-CG2 3.54Å; M69-I96 VanDerWaalsContact SD-CG2 3.54Å; M69-Q100 HydrophobicContact CG-CB 4.4Å; M69-Q100 HydrophobicContact SD-CB 3.41Å; M69-Q100 WeakPolarHBondContact SD-CB 3.29Å; M69-Q100 HydrophobicContact SD-CG 4.09Å; M69-K101 VanDerWaalsContact CG-O 3.25Å; M69-K101 WeakPolarHBondContact CG-O 3.27Å
70G88.6Confident95.7Very high74 Ų7468.2 Ų68.276%0.76335%0.353SS*.THydrogen-bonded Turntrans54.2-118.9-177.400000111.3
71T88.6Confident95.8Very high137 Ų13771.6 Ų71.684%0.8437%0.366SS*.THydrogen-bonded Turntrans-84.9-12.2175.552.70000114M69M69-T71 PolarHBondContact O-N 2.87Å; M69-T71 VanDerWaalsContact O-N 3.12Å
72Y92Very high95.7Very high103 Ų10369.1 Ų69.140%0.40435%0.352SS..EExtended strand (participates in β ladder)trans-81.1133.5177.4-60.3-66.6000111.1R68 M69 F74 T94R68-Y72 WeakPolarHBondContact CA-O 3.19Å; M69-Y72 HydrophobicContact CE-CD2 3.76Å; M69-Y72 HydrophobicContact CE-CE2 4.35Å; M69-Y72 PolarHBondContact N-O 2.78Å; M69-Y72 WeakPolarHBondContact O-CA 3.49Å; M69-Y72 WeakPolarHBondContact O-CB 2.82Å; M69-Y72 PolarHBondContact O-N 2.92Å; Y72-F74 HydrophobicContact CD1-CE1 4.01Å; Y72-F74 AromaticContact CD1-CZ 3.58Å; Y72-F74 HydrophobicContact CD1-CZ 3.58Å; Y72-F74 HydrophobicContact CE1-CZ 4.38Å; Y72-F74 HydrophobicContact CG-CE1 4.47Å; Y72-F74 HydrophobicContact CG-CE2 4.28Å; Y72-F74 AromaticContact CG-CZ 3.78Å; Y72-F74 HydrophobicContact CG-CZ 3.78Å; Y72-T94 HydrophobicContact CE1-CG2 4.14Å
73N96.4Very high95.4Very high119 Ų11977 Ų7764%0.63639%0.386SS*.EExtended strand (participates in β ladder)trans-138.594.7171.2-173.618.2000108.3
74F96.9Very high95.2Very high33 Ų3379.5 Ų79.515%0.14540%0.395CS..EExtended strand (participates in β ladder)trans-95.6121.9178.2-51.5-52.1000109.4S66 L67 Y72 L77 P93 T94 I96S66-F74 CarbonylContact C-O 3.6Å; S66-F74 WeakPolarHBondContact CA-O 3.47Å; S66-F74 WeakPolarHBondContact CB-O 2.97Å; L67-F74 HydrophobicContact CB-CD2 4.34Å; L67-F74 HydrophobicContact CD2-CD2 4.36Å; L67-F74 PolarHBondContact N-O 2.85Å; L67-F74 PolarHBondContact O-N 2.73Å; Y72-F74 HydrophobicContact CD1-CE1 4.01Å; Y72-F74 AromaticContact CD1-CZ 3.58Å; Y72-F74 HydrophobicContact CD1-CZ 3.58Å; Y72-F74 HydrophobicContact CE1-CZ 4.38Å; Y72-F74 HydrophobicContact CG-CE1 4.47Å; Y72-F74 HydrophobicContact CG-CE2 4.28Å; Y72-F74 AromaticContact CG-CZ 3.78Å; Y72-F74 HydrophobicContact CG-CZ 3.78Å; F74-L77 HydrophobicContact CB-CD1 4.14Å; F74-L77 HydrophobicContact CB-CD2 3.73Å; F74-L77 HydrophobicContact CB-CG 4.07Å; F74-L77 HydrophobicContact CG-CD2 4.49Å; F74-P93 HydrophobicContact CB-CG 4.38Å; F74-P93 HydrophobicContact CD1-CB 4.23Å; F74-P93 HydrophobicContact CD1-CG 3.73Å; F74-P93 HydrophobicContact CD2-CG 4.41Å; F74-P93 HydrophobicContact CE1-CB 4.11Å; F74-P93 HydrophobicContact CE1-CG 4.08Å; F74-P93 HydrophobicContact CG-CG 3.93Å; F74-T94 HydrophobicContact CE2-CG2 4.39Å; F74-T94 HydrophobicContact CZ-CG2 3.67Å; F74-I96 HydrophobicContact CE2-CD1 4.26Å
75S96.1Very high95Very high73 Ų7378.1 Ų78.151%0.5139%0.39SS..  trans-105.7163.7172.565.60000110.9L77S75-L77 PolarHBondContact O-N 2.82Å
76D95Very high94.9Very high116 Ų11680.1 Ų80.162%0.6240%0.4SS*.SBendtrans54.540170.8-48.3-54.2000113W64 A65 H78W64-D76 PolarHBondContact NE1-OD1 3.43Å; A65-D76 PolarHBondContact O-N 2.84Å; A65-D76 VanDerWaalsContact O-N 3.13Å; D76-H78 PolarHBondContact O-N 3.28Å
77L97.3Very high94.8Very high14 Ų1480 Ų807%0.07340%0.399CS..  trans-65.1128.5-176.9-73171.4000110.6A65 L67 F74 S75 I90 P93A65-L77 HydrophobicContact CB-CB 4.08Å; A65-L77 PolarHBondContact O-N 2.85Å; L67-L77 HydrophobicContact CB-CD1 3.68Å; F74-L77 HydrophobicContact CB-CD1 4.14Å; F74-L77 HydrophobicContact CB-CD2 3.73Å; F74-L77 HydrophobicContact CB-CG 4.07Å; F74-L77 HydrophobicContact CG-CD2 4.49Å; S75-L77 PolarHBondContact O-N 2.82Å; L77-I90 HydrophobicContact CB-CG2 3.73Å; L77-I90 HydrophobicContact CD1-CG2 3.88Å; L77-I90 HydrophobicContact CD2-CG2 4.34Å; L77-I90 HydrophobicContact CG-CG2 4.21Å; L77-P93 HydrophobicContact CD2-CG 4.05Å
78H95.3Very high94.8Very high143 Ų14379.9 Ų79.966%0.66240%0.399SS*.  trans-70.3133.8178.5-177.9-82.7000111.5D76D76-H78 PolarHBondContact O-N 3.28Å
79I96.6Very high94.8Very high23 Ų2373.5 Ų73.512%0.11838%0.377CS..EExtended strand (participates in β ladder)trans-111.4123.7-177.4-51174.8000109.3I62 A65 Y81 A88 I90I62-I79 HydrophobicContact CB-CD1 3.53Å; I62-I79 HydrophobicContact CD1-CD1 3.93Å; I62-I79 HydrophobicContact CD1-CG2 4.49Å; I62-I79 HydrophobicContact CG1-CD1 4.34Å; I62-I79 HydrophobicContact CG2-CD1 3.28Å; A65-I79 HydrophobicContact CB-CD1 4.02Å; A65-I79 HydrophobicContact CB-CG1 4.35Å; I79-Y81 HydrophobicContact CB-CE2 4.13Å; I79-Y81 HydrophobicContact CG2-CD2 4.29Å; I79-Y81 HydrophobicContact CG2-CE1 4.2Å; I79-Y81 HydrophobicContact CG2-CE2 3.84Å; I79-A88 HydrophobicContact CG2-CB 3.83Å; I79-I90 HydrophobicContact CG1-CG1 4.11Å
80H97Very high95Very high109 Ų10973.2 Ų73.251%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-99125.8171.5-17872.6000110.3A88 T89H80-A88 CarbonylContact O-C 3.56Å; H80-A88 WeakPolarHBondContact O-CA 3.29Å; H80-T89 PolarHBondContact N-O 2.81Å; H80-T89 PolarHBondContact O-N 2.85Å
81Y96.9Very high95.4Very high78 Ų7879.2 Ų79.231%0.30638%0.375SS..EExtended strand (participates in β ladder)trans-101.1125.4-179.1-65-90.4000111.6I62 I79 A88I62-Y81 VanDerWaalsContact CB-OH 3.31Å; I62-Y81 WeakPolarHBondContact CB-OH 3.45Å; I62-Y81 PolarHBondContact N-OH 3.22Å; I62-Y81 VanDerWaalsContact N-OH 3.12Å; I62-Y81 PolarHBondContact O-OH 3.45Å; I79-Y81 HydrophobicContact CB-CE2 4.13Å; I79-Y81 HydrophobicContact CG2-CD2 4.29Å; I79-Y81 HydrophobicContact CG2-CE1 4.2Å; I79-Y81 HydrophobicContact CG2-CE2 3.84Å; Y81-A88 HydrophobicContact CD1-CB 4.21Å; Y81-A88 HydrophobicContact CE1-CB 4.28Å
82E95.3Very high95.7Very high50 Ų5073.1 Ų73.123%0.23434%0.338CS..EExtended strand (participates in β ladder)trans-104.875.6170.2-62.7-173.3-119.400109.7R12 K84 W85 D86 L87R12-E82 IonicContact NH1-OE1 3.58Å; R12-E82 PolarHBondContact NH1-OE1 3.32Å; R12-E82 IonicContact NH1-OE2 2.95Å; R12-E82 PolarHBondContact NH1-OE2 2.92Å; E82-K84 PolarHBondContact O-N 3.17Å; E82-W85 PolarHBondContact O-N 2.9Å; E82-D86 PolarHBondContact O-N 2.95Å; E82-L87 HydrophobicContact CB-CB 4.27Å; E82-L87 PolarHBondContact N-O 3.12Å; E82-L87 PolarHBondContact O-N 2.7Å
83K92.2Very high95.9Very high179 Ų17972.5 Ų72.578%0.77835%0.346SS*.THydrogen-bonded Turntrans-53.5-28.2-174.4-68.1-171.9176.6-175.90114.9W85K83-W85 PolarHBondContact O-N 3Å
84K92.1Very high95.9Very high157 Ų15769.5 Ų69.568%0.68333%0.332SS*.THydrogen-bonded Turntrans-60.8-29.9177-179176177-179.90112.4E82E82-K84 PolarHBondContact O-N 3.17Å
85W93.7Very high95.8Very high62 Ų6272.3 Ų72.324%0.23535%0.349CS..THydrogen-bonded Turntrans-115.12.3-172.2-54.3121.4000113M10 R12 E82 K83 L87M10-W85 HydrophobicContact CB-CH2 4.42Å; M10-W85 HydrophobicContact CB-CZ3 3.9Å; M10-W85 WeakPolarHBondContact O-CZ3 3.31Å; R12-W85 HydrophobicContact CB-CB 4.05Å; R12-W85 HydrophobicContact CB-CD2 3.81Å; R12-W85 HydrophobicContact CB-CE3 3.88Å; R12-W85 HydrophobicContact CB-CG 3.9Å; E82-W85 PolarHBondContact O-N 2.9Å; K83-W85 PolarHBondContact O-N 3Å; W85-L87 VanDerWaalsContact C-N 3.28Å; W85-L87 HydrophobicContact CB-CD1 3.89Å; W85-L87 HydrophobicContact CB-CG 3.86Å; W85-L87 PolarHBondContact O-N 3.13Å
86D95.4Very high95.8Very high42 Ų4268.9 Ų68.923%0.22532%0.324CS..THydrogen-bonded Turntrans50.847.5-170.5-59.1-40.5000112.1H56 C57 E82H56-D86 CarbonylContact C-O 3.51Å; H56-D86 VanDerWaalsContact CA-O 3.25Å; H56-D86 WeakPolarHBondContact CA-O 3.3Å; C57-D86 PolarHBondContact N-O 3.41Å; C57-D86 CarbonylContact O-C 3.51Å; C57-D86 VanDerWaalsContact O-C 3.23Å; C57-D86 WeakPolarHBondContact O-CA 3.47Å; E82-D86 PolarHBondContact O-N 2.95Å
87L96.7Very high95.9Very high2 Ų265.5 Ų65.51%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-116.8142.7179-62.9178.1000111.5R12 V14 T54 F55 H56 E82 W85R12-L87 HydrophobicContact CB-CD1 4.33Å; R12-L87 HydrophobicContact CG-CD1 4.23Å; V14-L87 HydrophobicContact CG1-CD2 3.43Å; V14-L87 VanDerWaalsContact CG1-CD2 3.43Å; T54-L87 HydrophobicContact CG2-CB 4.32Å; T54-L87 HydrophobicContact CG2-CD1 4.3Å; T54-L87 HydrophobicContact CG2-CD2 4.34Å; F55-L87 WeakPolarHBondContact O-CA 3.16Å; H56-L87 VanDerWaalsContact CD2-CD2 3.42Å; H56-L87 WeakPolarHBondContact CD2-CD2 3.49Å; E82-L87 HydrophobicContact CB-CB 4.27Å; E82-L87 PolarHBondContact N-O 3.12Å; E82-L87 PolarHBondContact O-N 2.7Å; W85-L87 VanDerWaalsContact C-N 3.28Å; W85-L87 HydrophobicContact CB-CD1 3.89Å; W85-L87 HydrophobicContact CB-CG 3.86Å; W85-L87 PolarHBondContact O-N 3.13Å
88A97.6Very high95.8Very high0 Ų066.7 Ų66.70%033%0.325CS..EExtended strand (participates in β ladder)trans-118.2135.7165.200000109T54 F55 C57 I62 I79 H80 Y81T54-A88 WeakPolarHBondContact CA-O 3.32Å; F55-A88 HydrophobicContact CD2-CB 4.14Å; F55-A88 HydrophobicContact CE2-CB 3.61Å; F55-A88 HydrophobicContact CZ-CB 4.06Å; F55-A88 PolarHBondContact N-O 2.86Å; F55-A88 PolarHBondContact O-N 3.01Å; C57-A88 HydrophobicContact CB-CB 3.6Å; I62-A88 HydrophobicContact CD1-CB 4.46Å; I79-A88 HydrophobicContact CG2-CB 3.83Å; H80-A88 CarbonylContact O-C 3.56Å; H80-A88 WeakPolarHBondContact O-CA 3.29Å; Y81-A88 HydrophobicContact CD1-CB 4.21Å; Y81-A88 HydrophobicContact CE1-CB 4.28Å
89T97.7Very high95.9Very high22 Ų2266.1 Ų66.114%0.13533%0.327CS..EExtended strand (participates in β ladder)trans-123.8123.1178.3-63.40000110.2V53 T54 H80V53-T89 CarbonylContact O-C 3.41Å; V53-T89 WeakPolarHBondContact O-CA 3.4Å; T54-T89 WeakPolarHBondContact CG2-OG1 3.3Å; T54-T89 WeakPolarHBondContact OG1-CG2 3.45Å; T54-T89 PolarHBondContact OG1-OG1 3.37Å; H80-T89 PolarHBondContact N-O 2.81Å; H80-T89 PolarHBondContact O-N 2.85Å
90I97.9Very high95.9Very high1 Ų169 Ų691%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-94.8120.5170.9-62.7175.9000108.3S52 V53 F55 A65 L77 I79 L92 L104 L106S52-I90 CarbonylContact C-O 3.49Å; S52-I90 WeakPolarHBondContact CA-O 3.12Å; S52-I90 VanDerWaalsContact CB-O 3.29Å; S52-I90 WeakPolarHBondContact CB-O 3.33Å; V53-I90 PolarHBondContact N-O 2.94Å; V53-I90 PolarHBondContact O-N 2.89Å; F55-I90 HydrophobicContact CE1-CD1 3.76Å; F55-I90 HydrophobicContact CE1-CG1 4.1Å; F55-I90 HydrophobicContact CZ-CD1 4Å; F55-I90 HydrophobicContact CZ-CG1 4.3Å; A65-I90 HydrophobicContact CB-CD1 3.97Å; L77-I90 HydrophobicContact CB-CG2 3.73Å; L77-I90 HydrophobicContact CD1-CG2 3.88Å; L77-I90 HydrophobicContact CD2-CG2 4.34Å; L77-I90 HydrophobicContact CG-CG2 4.21Å; I79-I90 HydrophobicContact CG1-CG1 4.11Å; I90-L92 HydrophobicContact CG2-CD2 4.31Å; I90-L104 HydrophobicContact CD1-CD1 3.72Å; I90-L106 HydrophobicContact CD1-CD2 4.24Å
91R96.4Very high95.9Very high201 Ų20171.7 Ų71.776%0.75835%0.35SS*.EExtended strand (participates in β ladder)trans-82.3128.7170.3-173.1176.8179.5179.50.1109.1
92L96.2Very high96Very high9 Ų968.3 Ų68.35%0.04734%0.338CS..EExtended strand (participates in β ladder)trans-84.3142.7-179.3-58176000110.1F46 V50 S51 V53 L67 I90 T94 I96F46-L92 HydrophobicContact CE1-CD1 4.29Å; V50-L92 HydrophobicContact CG2-CD1 4.23Å; S51-L92 WeakPolarHBondContact O-CB 3.45Å; S51-L92 PolarHBondContact O-N 2.93Å; V53-L92 HydrophobicContact CG2-CD1 4.06Å; V53-L92 HydrophobicContact CG2-CD2 4.13Å; V53-L92 HydrophobicContact CG2-CG 4.38Å; L67-L92 HydrophobicContact CD2-CD1 4.45Å; L67-L92 HydrophobicContact CD2-CD2 3.56Å; I90-L92 HydrophobicContact CG2-CD2 4.31Å; L92-T94 WeakPolarHBondContact CB-O 3.14Å; L92-T94 PolarHBondContact O-N 2.89Å; L92-I96 HydrophobicContact CD1-CB 4.41Å; L92-I96 HydrophobicContact CD1-CG1 3.52Å
93P95.6Very high96.1Very high90 Ų9067.3 Ų67.358%0.58434%0.335SS*.EExtended strand (participates in β ladder)trans-62.9-22.5177.5-26.536.6000114.2F74 L77F74-P93 HydrophobicContact CB-CG 4.38Å; F74-P93 HydrophobicContact CD1-CB 4.23Å; F74-P93 HydrophobicContact CD1-CG 3.73Å; F74-P93 HydrophobicContact CD2-CG 4.41Å; F74-P93 HydrophobicContact CE1-CB 4.11Å; F74-P93 HydrophobicContact CE1-CG 4.08Å; F74-P93 HydrophobicContact CG-CG 3.93Å; L77-P93 HydrophobicContact CD2-CG 4.05Å
94T94.9Very high96.4Very high56 Ų5658.9 Ų58.934%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-144.6157.8176.4-175.60000109.7Y72 F74 L92 I96Y72-T94 HydrophobicContact CE1-CG2 4.14Å; F74-T94 HydrophobicContact CE2-CG2 4.39Å; F74-T94 HydrophobicContact CZ-CG2 3.67Å; L92-T94 WeakPolarHBondContact CB-O 3.14Å; L92-T94 PolarHBondContact O-N 2.89Å; T94-I96 HydrophobicContact CG2-CD1 3.96Å; T94-I96 PolarHBondContact O-N 2.64Å
95D96.1Very high96.7Very high91 Ų9154.5 Ų54.549%0.48728%0.279SS..EExtended strand (participates in β ladder)trans-63133.9169.8-74.912.6000110.3R49 V50 S51R49-D95 HydrophobicContact CG-CB 4.32Å; V50-D95 WeakPolarHBondContact O-CA 3.4Å; S51-D95 WeakPolarHBondContact CB-OD1 3.47Å
96I96.2Very high97Very high1 Ų151.8 Ų51.81%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-99.1127.5174.1-57-41.3000108.2F46 R49 V50 M69 F74 L92 T94 Q100F46-I96 HydrophobicContact CB-CG2 4.19Å; F46-I96 HydrophobicContact CD1-CB 4.17Å; F46-I96 HydrophobicContact CD1-CG2 3.72Å; F46-I96 HydrophobicContact CD2-CG2 4.29Å; F46-I96 HydrophobicContact CE1-CB 4.39Å; F46-I96 HydrophobicContact CE1-CG1 4.46Å; F46-I96 HydrophobicContact CE1-CG2 4.15Å; F46-I96 HydrophobicContact CG-CG2 3.8Å; R49-I96 CarbonylContact C-O 3.59Å; R49-I96 WeakPolarHBondContact CA-O 3.23Å; V50-I96 HydrophobicContact CG2-CB 4.25Å; V50-I96 PolarHBondContact N-O 2.77Å; V50-I96 PolarHBondContact O-N 2.96Å; M69-I96 HydrophobicContact CE-CB 4.04Å; M69-I96 HydrophobicContact CE-CD1 3.28Å; M69-I96 HydrophobicContact CE-CG1 3.69Å; M69-I96 HydrophobicContact CE-CG2 3.31Å; M69-I96 HydrophobicContact SD-CG2 3.54Å; M69-I96 VanDerWaalsContact SD-CG2 3.54Å; F74-I96 HydrophobicContact CE2-CD1 4.26Å; L92-I96 HydrophobicContact CD1-CB 4.41Å; L92-I96 HydrophobicContact CD1-CG1 3.52Å; T94-I96 HydrophobicContact CG2-CD1 3.96Å; T94-I96 PolarHBondContact O-N 2.64Å; I96-Q100 HydrophobicContact CG2-CB 4.08Å; I96-Q100 HydrophobicContact CG2-CG 4.16Å
97A96Very high97.1Very high45 Ų4552.1 Ų52.137%0.37227%0.269SS..PPolyproline II helixtrans-68.3161.5177.700000111.9Q100A97-Q100 HydrophobicContact CB-CG 4.44Å; A97-Q100 VanDerWaalsContact O-CG 3.23Å; A97-Q100 WeakPolarHBondContact O-CG 3.13Å
98A96.6Very high97.2Very high39 Ų3952 Ų5232%0.32227%0.269SS..THydrogen-bonded Turntrans-62159.917200000112.2F46 K47 Q100F46-A98 CarbonylContact O-C 3.54Å; K47-A98 WeakPolarHBondContact O-CB 3.1Å; A98-Q100 VanDerWaalsContact C-N 3.25Å; A98-Q100 PolarHBondContact O-N 2.81Å
99N96.1Very high97.2Very high132 Ų13254 Ų5471%0.70628%0.281SS*.THydrogen-bonded Turntrans5929.5178.4-57.8-48.5000114.6F46F46-N99 WeakPolarHBondContact O-CA 3.36Å; F46-N99 PolarHBondContact O-N 2.96Å
100Q96.8Very high97.2Very high82 Ų8253.4 Ų53.438%0.38328%0.279SS..EExtended strand (participates in β ladder)trans-96.5155.9173.5-59.5-60.6-50.500111.6F46 M69 I96 A97 A98F46-Q100 HydrophobicContact CB-CB 4.24Å; F46-Q100 HydrophobicContact CD2-CB 4.35Å; F46-Q100 PolarHBondContact N-O 2.79Å; F46-Q100 PolarHBondContact O-N 2.8Å; M69-Q100 HydrophobicContact CG-CB 4.4Å; M69-Q100 HydrophobicContact SD-CB 3.41Å; M69-Q100 WeakPolarHBondContact SD-CB 3.29Å; M69-Q100 HydrophobicContact SD-CG 4.09Å; I96-Q100 HydrophobicContact CG2-CB 4.08Å; I96-Q100 HydrophobicContact CG2-CG 4.16Å; A97-Q100 HydrophobicContact CB-CG 4.44Å; A97-Q100 VanDerWaalsContact O-CG 3.23Å; A97-Q100 WeakPolarHBondContact O-CG 3.13Å; A98-Q100 VanDerWaalsContact C-N 3.25Å; A98-Q100 PolarHBondContact O-N 2.81Å
101K97.6Very high97.1Very high166 Ų16661.2 Ų61.272%0.72231%0.313SS*.EExtended strand (participates in β ladder)trans-117.7132.9173.2-64.2-176.9-178.2-178.50109.8L44 L45 M69L44-K101 VanDerWaalsContact O-CA 3.29Å; L44-K101 WeakPolarHBondContact O-CA 3.27Å; L45-K101 HydrophobicContact CD1-CG 4.32Å; M69-K101 VanDerWaalsContact CG-O 3.25Å; M69-K101 WeakPolarHBondContact CG-O 3.27Å
102G97.9Very high96.9Very high7 Ų752 Ų527%0.07228%0.278CS..EExtended strand (participates in β ladder)trans-132.3162178.300000112.6L44 R68L44-G102 PolarHBondContact N-O 2.84Å; L44-G102 PolarHBondContact O-N 3.14Å; R68-G102 CarbonylContact O-C 3.51Å; R68-G102 VanDerWaalsContact O-CA 3.27Å; R68-G102 WeakPolarHBondContact O-CA 3.4Å
103L98.6Very high96.7Very high30 Ų3053.3 Ų53.316%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-114.4107.7171.9-178.764.1000107.9D41 F43 L67 R68 K105D41-L103 HydrophobicContact CB-CD1 3.92Å; F43-L103 HydrophobicContact CD1-CD1 4.28Å; F43-L103 HydrophobicContact CD2-CD1 4.03Å; F43-L103 HydrophobicContact CE1-CD1 4.18Å; F43-L103 HydrophobicContact CE2-CD1 3.91Å; F43-L103 HydrophobicContact CG-CD1 4.22Å; F43-L103 HydrophobicContact CZ-CD1 3.99Å; L67-L103 WeakPolarHBondContact CA-O 3.3Å; R68-L103 PolarHBondContact N-O 2.92Å; R68-L103 PolarHBondContact O-N 2.89Å; L103-K105 HydrophobicContact CD2-CG 4.43Å; L103-K105 HydrophobicContact CG-CG 4.2Å
104L98.6Very high96.3Very high2 Ų256.8 Ų56.81%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-88.5120.7172.1173.567.5000108V42 L44 F55 S66 L67 I90 L106 W150V42-L104 HydrophobicContact CB-CB 4.3Å; V42-L104 PolarHBondContact N-O 2.99Å; V42-L104 PolarHBondContact O-N 2.9Å; L44-L104 HydrophobicContact CD1-CB 3.61Å; L44-L104 HydrophobicContact CD1-CD2 4.06Å; L44-L104 HydrophobicContact CD1-CG 4.45Å; L44-L104 HydrophobicContact CG-CB 4.21Å; F55-L104 HydrophobicContact CD1-CD2 4.37Å; F55-L104 HydrophobicContact CE1-CD2 4Å; S66-L104 CarbonylContact O-C 3.59Å; S66-L104 WeakPolarHBondContact O-CA 3.45Å; S66-L104 WeakPolarHBondContact O-CD1 3.48Å; L67-L104 HydrophobicContact CD1-CB 4.19Å; I90-L104 HydrophobicContact CD1-CD1 3.72Å; L104-L106 HydrophobicContact CD1-CD2 4.17Å; L104-L106 HydrophobicContact CD1-CG 4.33Å; L104-L106 HydrophobicContact CD2-CD1 3.86Å; L104-L106 HydrophobicContact CD2-CG 4.35Å; L104-L106 HydrophobicContact CG-CD1 4.08Å; L104-L106 HydrophobicContact CG-CD2 4.4Å; L104-L106 HydrophobicContact CG-CG 4.04Å; L104-W150 HydrophobicContact CD2-CH2 4.44Å
105K98.6Very high95.9Very high64 Ų6459.1 Ų59.128%0.27830%0.302SS..EExtended strand (participates in β ladder)trans-107.4133.5174.9-50.2-178.1155.8-88.60109.5E40 D41 W64 A65 S66 L103E40-K105 CarbonylContact O-C 3.59Å; E40-K105 VanDerWaalsContact O-CA 3.28Å; E40-K105 WeakPolarHBondContact O-CA 3.39Å; D41-K105 VanDerWaalsContact OD1-CG 3.25Å; D41-K105 WeakPolarHBondContact OD1-CG 3.28Å; D41-K105 IonicContact OD1-NZ 2.73Å; D41-K105 PolarHBondContact OD1-NZ 2.74Å; D41-K105 IonicContact OD2-NZ 2.75Å; D41-K105 PolarHBondContact OD2-NZ 3.33Å; W64-K105 HydrophobicContact CH2-CB 4.08Å; W64-K105 HydrophobicContact CH2-CD 4.3Å; W64-K105 HydrophobicContact CZ3-CB 3.6Å; W64-K105 HydrophobicContact CZ3-CD 4.49Å; A65-K105 CarbonylContact C-O 3.58Å; A65-K105 VanDerWaalsContact CA-O 3.32Å; A65-K105 WeakPolarHBondContact CA-O 3.37Å; S66-K105 PolarHBondContact N-O 2.75Å; S66-K105 PolarHBondContact O-N 3.02Å; S66-K105 WeakPolarHBondContact OG-CB 2.84Å; L103-K105 HydrophobicContact CD2-CG 4.43Å; L103-K105 HydrophobicContact CG-CG 4.2Å
106L98.6Very high95.3Very high5 Ų560.7 Ų60.73%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-131.8137.9180-61166000110E39 E40 F55 I62 W64 A65 I90 L104 F108 P148E39-L106 WeakPolarHBondContact CA-O 3.36Å; E40-L106 HydrophobicContact CG-CB 3.76Å; E40-L106 HydrophobicContact CG-CD1 4.27Å; E40-L106 HydrophobicContact CG-CG 4.41Å; E40-L106 PolarHBondContact N-O 3.38Å; E40-L106 PolarHBondContact O-N 2.66Å; E40-L106 WeakPolarHBondContact OE1-CD1 3.28Å; F55-L106 HydrophobicContact CE1-CD1 4.48Å; F55-L106 HydrophobicContact CE2-CD1 4.32Å; F55-L106 HydrophobicContact CZ-CD1 3.98Å; I62-L106 HydrophobicContact CG2-CB 4.48Å; I62-L106 HydrophobicContact CG2-CD2 3.92Å; W64-L106 WeakPolarHBondContact O-CA 3.45Å; A65-L106 HydrophobicContact CB-CD2 3.41Å; A65-L106 VanDerWaalsContact CB-CD2 3.41Å; I90-L106 HydrophobicContact CD1-CD2 4.24Å; L104-L106 HydrophobicContact CD1-CD2 4.17Å; L104-L106 HydrophobicContact CD1-CG 4.33Å; L104-L106 HydrophobicContact CD2-CD1 3.86Å; L104-L106 HydrophobicContact CD2-CG 4.35Å; L104-L106 HydrophobicContact CG-CD1 4.08Å; L104-L106 HydrophobicContact CG-CD2 4.4Å; L104-L106 HydrophobicContact CG-CG 4.04Å; L106-F108 HydrophobicContact CB-CD1 4.5Å; L106-P148 HydrophobicContact CD1-CB 4.12Å; L106-P148 HydrophobicContact CD1-CG 4.34Å
107H98.3Very high94.8Very high49 Ų4962.8 Ų62.823%0.22732%0.32CS..EExtended strand (participates in β ladder)trans-117.2130.2168.2177.4-97.4000108.8E37 G38 I62 H63 W64E37-H107 IonicContact OE1-CD2 2.77Å; E37-H107 IonicContact OE1-CE1 3.88Å; E37-H107 IonicContact OE1-NE2 3.5Å; E37-H107 PolarHBondContact OE1-NE2 2.91Å; G38-H107 WeakPolarHBondContact O-CA 3.25Å; I62-H107 CarbonylContact C-O 3.58Å; I62-H107 WeakPolarHBondContact CG2-O 3.34Å; H63-H107 AromaticContact CD2-CE1 3.83Å; H63-H107 AromaticContact CD2-ND1 3.58Å; H63-H107 AromaticContact CG-ND1 3.97Å; H63-H107 PolarHBondContact N-O 2.81Å; W64-H107 HydrophobicContact CB-CB 4.42Å; W64-H107 PolarHBondContact N-O 2.84Å; W64-H107 PolarHBondContact O-N 2.91Å
108F98.4Very high94.5Very high0 Ų060.6 Ų60.60%030%0.303CS..EExtended strand (participates in β ladder)trans-149.3164.1-17161.1-93000112.8L25 L27 F36 G38 E40 I60 I61 I62 L106 A146 F147 P148L25-F108 HydrophobicContact CD1-CZ 4.11Å; L27-F108 HydrophobicContact CD2-CE2 4.07Å; L27-F108 HydrophobicContact CD2-CZ 4.05Å; F36-F108 HydrophobicContact CD2-CE2 4.49Å; F36-F108 HydrophobicContact CE2-CD2 4.31Å; F36-F108 AromaticContact CE2-CE2 4Å; F36-F108 HydrophobicContact CE2-CE2 4Å; G38-F108 PolarHBondContact N-O 2.78Å; G38-F108 PolarHBondContact O-N 2.85Å; E40-F108 HydrophobicContact CB-CE1 4.28Å; E40-F108 HydrophobicContact CG-CE1 3.9Å; I60-F108 HydrophobicContact CG2-CB 3.55Å; I60-F108 HydrophobicContact CG2-CD2 3.56Å; I60-F108 HydrophobicContact CG2-CG 3.79Å; I61-F108 CarbonylContact O-C 3.56Å; I61-F108 WeakPolarHBondContact O-CA 3.47Å; I61-F108 VanDerWaalsContact O-CB 3.3Å; I61-F108 WeakPolarHBondContact O-CB 3.3Å; I62-F108 HydrophobicContact CG1-CB 4.25Å; L106-F108 HydrophobicContact CB-CD1 4.5Å; F108-A146 VanDerWaalsContact CE2-O 3.3Å; F108-A146 WeakPolarHBondContact CE2-O 3.39Å; F108-F147 HydrophobicContact CE1-CB 4.29Å; F108-F147 HydrophobicContact CE2-CB 4.06Å; F108-F147 HydrophobicContact CZ-CB 3.52Å; F108-P148 HydrophobicContact CD1-CG 4.11Å; F108-P148 HydrophobicContact CE1-CG 4.44Å; F108-P148 HydrophobicContact CG-CG 4.38Å
109T98.2Very high94.2Very high43 Ų4359.3 Ų59.326%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-133149.7170.955.50000110.5F36 E37 I61 H63F36-T109 WeakPolarHBondContact O-CA 3.44Å; E37-T109 HydrophobicContact CB-CG2 4.37Å; E37-T109 HydrophobicContact CG-CG2 4.38Å; I61-T109 PolarHBondContact N-O 3.23Å; I61-T109 PolarHBondContact O-N 3.38Å; H63-T109 VanDerWaalsContact NE2-CG2 3.26Å; H63-T109 WeakPolarHBondContact NE2-CG2 3.22Å; H63-T109 PolarHBondContact NE2-OG1 3.01Å
110G96.7Very high93.9Very high8 Ų854.7 Ų54.78%0.08226%0.263CS..EExtended strand (participates in β ladder)trans-142.1172.5172.200000111.9S35 F36S35-G110 WeakPolarHBondContact CA-O 3.28Å; S35-G110 WeakPolarHBondContact CB-O 3.15Å; F36-G110 VanDerWaalsContact CZ-CA 3.49Å; F36-G110 PolarHBondContact N-O 3.4Å; F36-G110 PolarHBondContact O-N 3.39Å
111K96.1Very high93.7Very high165 Ų16551.8 Ų51.872%0.71725%0.249SC*.EExtended strand (participates in β ladder)trans-103.2144.3173.1-68-172.7177.6-175.90109.4F36 N113F36-K111 WeakPolarHBondContact CE1-O 3.49Å; K111-N113 PolarHBondContact O-N 3.03Å
112L93.5Very high93.4Very high8 Ų845.6 Ų45.64%0.04223%0.227CC..PPolyproline II helixtrans-71124.4169.6-65.7171.4000108.7V29 L31 D34 F36 F119 I121 A134V29-L112 HydrophobicContact CG1-CD1 4.26Å; L31-L112 HydrophobicContact CD2-CD1 4.22Å; D34-L112 PolarHBondContact O-N 2.73Å; F36-L112 HydrophobicContact CD1-CD2 3.88Å; F36-L112 HydrophobicContact CD1-CG 4.27Å; L112-F119 CarbonylContact C-O 3.54Å; L112-F119 WeakPolarHBondContact CA-O 3.36Å; L112-F119 HydrophobicContact CD2-CB 4.2Å; L112-F119 HydrophobicContact CD2-CD1 3.81Å; L112-F119 HydrophobicContact CD2-CD2 3.49Å; L112-F119 VanDerWaalsContact CD2-CD2 3.49Å; L112-F119 HydrophobicContact CD2-CE1 4.08Å; L112-F119 HydrophobicContact CD2-CE2 3.81Å; L112-F119 HydrophobicContact CD2-CG 3.52Å; L112-F119 HydrophobicContact CD2-CZ 4.1Å; L112-I121 HydrophobicContact CB-CB 4.17Å; L112-I121 HydrophobicContact CD1-CB 4.39Å; L112-A134 HydrophobicContact CD1-CB 4.08Å; L112-A134 HydrophobicContact CD2-CB 4.16Å
113N90.5Very high93Very high36 Ų3649 Ų4919%0.19325%0.246CC..BIsolated β-bridgetrans-64.8161176.2-76.4-15.7000111.7K111 D115 T117 F119 Y120 I121K111-N113 PolarHBondContact O-N 3.03Å; N113-D115 WeakPolarHBondContact CB-OD1 3.4Å; N113-T117 VanDerWaalsContact CB-O 3.29Å; N113-T117 WeakPolarHBondContact CB-O 3.42Å; N113-T117 PolarHBondContact ND2-O 3.03Å; N113-F119 PolarHBondContact N-O 3.32Å; N113-Y120 CarbonylContact O-C 3.52Å; N113-Y120 WeakPolarHBondContact O-CA 3.48Å; N113-Y120 VanDerWaalsContact O-CB 3.3Å; N113-Y120 WeakPolarHBondContact O-CB 3.39Å; N113-I121 PolarHBondContact O-N 2.87Å
114K88.2Confident92.6Very high164 Ų16452.9 Ų52.971%0.71326%0.26SS*.SBendtrans-115.41.2179-64.4-174.2177.3-174.10113.8D34 I121D34-K114 IonicContact OD2-NZ 3.86Å; K114-I121 HydrophobicContact CG-CG2 4.18Å
115D85.6Confident92.3Very high104 Ų10459.3 Ų59.356%0.55629%0.29SS*.SBendtrans-109.419.9-171.959.15000113.3N113 T117N113-D115 WeakPolarHBondContact CB-OD1 3.4Å; D115-T117 VanDerWaalsContact CG-OG1 3.31Å; D115-T117 PolarHBondContact O-N 2.91Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 2.8Å
116M85.4Confident91.9Very high125 Ų12561.1 Ų61.162%0.61630%0.299SS*.SBendtrans60.721.2-179.3-55.6-175.2-179.100114.8Y120 Q137M116-Y120 HydrophobicContact CB-CD2 4.31Å; M116-Y120 HydrophobicContact CB-CE2 4.15Å; M116-Y120 HydrophobicContact CG-CD2 4.29Å; M116-Y120 HydrophobicContact CG-CE2 4.08Å; M116-Q137 WeakPolarHBondContact O-CB 3.46Å
117T84.9Confident91.5Very high44 Ų4467 Ų6727%0.2733%0.331SS..SBendtrans-117.9154.3176.369.20000111.8N113 D115N113-T117 VanDerWaalsContact CB-O 3.29Å; N113-T117 WeakPolarHBondContact CB-O 3.42Å; N113-T117 PolarHBondContact ND2-O 3.03Å; D115-T117 VanDerWaalsContact CG-OG1 3.31Å; D115-T117 PolarHBondContact O-N 2.91Å; D115-T117 PolarHBondContact OD1-N 3.05Å; D115-T117 PolarHBondContact OD1-OG1 2.8Å
118G89.1Confident91.2Very high0 Ų073.9 Ų73.90%036%0.36CS..EExtended strand (participates in β ladder)trans64.8-137.7179.900000111.8T136 Q137G118-T136 CarbonylContact O-C 3.57Å; G118-T136 VanDerWaalsContact O-CA 3.23Å; G118-T136 WeakPolarHBondContact O-CA 3.41Å; G118-Q137 WeakPolarHBondContact CA-O 3.49Å; G118-Q137 PolarHBondContact N-O 2.91Å; G118-Q137 PolarHBondContact O-N 2.83Å
119F90.2Very high90.8Very high11 Ų1180.6 Ų80.65%0.04839%0.391CS..EExtended strand (participates in β ladder)trans-94108.8168.8-163.2-178.8000108.4L27 V29 F36 L112 N113 A134 S135 T136 A146L27-F119 HydrophobicContact CD1-CE1 4.15Å; V29-F119 HydrophobicContact CG2-CE1 4.18Å; V29-F119 HydrophobicContact CG2-CZ 3.63Å; F36-F119 HydrophobicContact CB-CD1 4.39Å; F36-F119 HydrophobicContact CB-CE1 4.07Å; F36-F119 AromaticContact CD1-CD1 3.58Å; F36-F119 HydrophobicContact CD1-CD1 3.58Å; F36-F119 HydrophobicContact CD1-CE1 4.11Å; F36-F119 HydrophobicContact CD1-CG 4.33Å; F36-F119 HydrophobicContact CD2-CD1 4.3Å; F36-F119 HydrophobicContact CE1-CB 4.18Å; F36-F119 AromaticContact CE1-CD1 3.82Å; F36-F119 HydrophobicContact CE1-CD1 3.82Å; F36-F119 HydrophobicContact CE1-CG 4.36Å; F36-F119 AromaticContact CG-CD1 3.83Å; F36-F119 HydrophobicContact CG-CD1 3.83Å; F36-F119 AromaticContact CG-CE1 4Å; F36-F119 HydrophobicContact CG-CE1 4Å; F36-F119 HydrophobicContact CZ-CD1 4.29Å; L112-F119 CarbonylContact C-O 3.54Å; L112-F119 WeakPolarHBondContact CA-O 3.36Å; L112-F119 HydrophobicContact CD2-CB 4.2Å; L112-F119 HydrophobicContact CD2-CD1 3.81Å; L112-F119 HydrophobicContact CD2-CD2 3.49Å; L112-F119 VanDerWaalsContact CD2-CD2 3.49Å; L112-F119 HydrophobicContact CD2-CE1 4.08Å; L112-F119 HydrophobicContact CD2-CE2 3.81Å; L112-F119 HydrophobicContact CD2-CG 3.52Å; L112-F119 HydrophobicContact CD2-CZ 4.1Å; N113-F119 PolarHBondContact N-O 3.32Å; F119-A134 HydrophobicContact CD2-CB 4.34Å; F119-A134 HydrophobicContact CE2-CB 3.58Å; F119-A134 HydrophobicContact CZ-CB 4.2Å; F119-S135 WeakPolarHBondContact CD2-O 3.35Å; F119-T136 HydrophobicContact CD2-CG2 3.83Å; F119-T136 HydrophobicContact CE2-CG2 4.2Å; F119-T136 HydrophobicContact CG-CG2 4.26Å; F119-A146 HydrophobicContact CB-CB 3.84Å
120Y90.2Very high90.4Very high36 Ų3684.9 Ų84.914%0.14141%0.409CS..EExtended strand (participates in β ladder)trans-124.7158.4-169.369.8-87.6000112.8N113 M116 A134 S135 Q137N113-Y120 CarbonylContact O-C 3.52Å; N113-Y120 WeakPolarHBondContact O-CA 3.48Å; N113-Y120 VanDerWaalsContact O-CB 3.3Å; N113-Y120 WeakPolarHBondContact O-CB 3.39Å; M116-Y120 HydrophobicContact CB-CD2 4.31Å; M116-Y120 HydrophobicContact CB-CE2 4.15Å; M116-Y120 HydrophobicContact CG-CD2 4.29Å; M116-Y120 HydrophobicContact CG-CE2 4.08Å; Y120-A134 CarbonylContact O-C 3.55Å; Y120-A134 VanDerWaalsContact O-CA 3.3Å; Y120-A134 WeakPolarHBondContact O-CA 3.36Å; Y120-S135 WeakPolarHBondContact CD1-O 3.46Å; Y120-S135 WeakPolarHBondContact CE1-O 2.97Å; Y120-S135 PolarHBondContact N-O 3.28Å; Y120-S135 PolarHBondContact O-N 2.83Å; Y120-S135 PolarHBondContact OH-OG 2.9Å; Y120-Q137 HydrophobicContact CD1-CB 4.48Å; Y120-Q137 HydrophobicContact CE1-CB 3.96Å
121I93.1Very high90.1Very high20 Ų2085.7 Ų85.710%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-95.7137.1171.4-165.3167.7000110.4D34 L112 N113 K114 K132 L133D34-I121 WeakPolarHBondContact OD1-CD1 3.39Å; L112-I121 HydrophobicContact CB-CB 4.17Å; L112-I121 HydrophobicContact CD1-CB 4.39Å; N113-I121 PolarHBondContact O-N 2.87Å; K114-I121 HydrophobicContact CG-CG2 4.18Å; I121-K132 HydrophobicContact CD1-CB 4.11Å; I121-K132 HydrophobicContact CD1-CD 3.71Å; I121-K132 HydrophobicContact CD1-CG 3.82Å; I121-K132 HydrophobicContact CG1-CB 4.46Å; I121-K132 HydrophobicContact CG1-CG 4.46Å; I121-L133 WeakPolarHBondContact CA-O 3.42Å; I121-L133 WeakPolarHBondContact CG1-O 3.4Å
122S90.2Very high89.9Confident37 Ų3781 Ų8126%0.25939%0.392SS..EExtended strand (participates in β ladder)trans-124.2150.1167.8-175.80000109.6L133S122-L133 PolarHBondContact N-O 3.44Å; S122-L133 PolarHBondContact O-N 3Å
123T90.3Very high89.9Confident77 Ų7783.7 Ų83.747%0.47241%0.405SS..EExtended strand (participates in β ladder)trans-125.7135.8179.253.20000109.7V131 K132T123-V131 WeakPolarHBondContact CA-O 3.39Å; T123-K132 HydrophobicContact CG2-CG 3.91Å
124Y90.6Very high90Very high112 Ų11283.6 Ų83.644%0.43941%0.409SS..EExtended strand (participates in β ladder)trans-135.8154.2172.169.3-79.3000110H126 Q130 V131 L133Y124-H126 HydrophobicContact CD2-CB 4.25Å; Y124-H126 HydrophobicContact CE2-CB 3.8Å; Y124-Q130 PolarHBondContact O-OE1 2.86Å; Y124-V131 HydrophobicContact CD1-CB 4.17Å; Y124-V131 WeakPolarHBondContact CD1-O 3.44Å; Y124-V131 HydrophobicContact CE1-CB 3.7Å; Y124-V131 HydrophobicContact CE1-CG1 3.64Å; Y124-V131 HydrophobicContact CE2-CB 4.18Å; Y124-V131 HydrophobicContact CE2-CG2 4.49Å; Y124-V131 PolarHBondContact N-O 2.81Å; Y124-V131 PolarHBondContact O-N 2.93Å; Y124-L133 HydrophobicContact CD1-CD2 3.73Å; Y124-L133 HydrophobicContact CE1-CD2 3.76Å
125E91.2Very high90.2Very high138 Ų13877.7 Ų77.765%0.64539%0.389SS*.EExtended strand (participates in β ladder)trans-85.6130.9176.3-166.9-178.7135.800110.2E129E125-E129 WeakPolarHBondContact CA-O 3.45Å
126H90.4Very high90.5Very high101 Ų10176 Ų7647%0.46838%0.383SS..EExtended strand (participates in β ladder)trans-138.7125.7171.6-173.764.6000109.2Y124 K128 E129 V131Y124-H126 HydrophobicContact CD2-CB 4.25Å; Y124-H126 HydrophobicContact CE2-CB 3.8Å; H126-K128 PolarHBondContact O-N 2.8Å; H126-E129 PolarHBondContact N-O 2.75Å; H126-E129 PolarHBondContact O-N 2.92Å; H126-V131 HydrophobicContact CB-CG2 3.83Å
127N91Very high90.8Very high130 Ų13074.3 Ų74.370%0.69537%0.373SS*.THydrogen-bonded Turntrans51.638.2-177.8-58-29.5000114.2E129N127-E129 PolarHBondContact O-N 2.87Å
128K90.6Very high91.1Very high192 Ų19275 Ų7584%0.83537%0.373SS*.THydrogen-bonded Turntrans67.211.6-176-50.4176178.7177.10114.9H126H126-K128 PolarHBondContact O-N 2.8Å
129E90.3Very high90.9Very high141 Ų14182.5 Ų82.566%0.65941%0.407SS*.EExtended strand (participates in β ladder)trans-109.8141.3173.2-64.1-176.5170.800110.3E125 H126 N127 V131E125-E129 WeakPolarHBondContact CA-O 3.45Å; H126-E129 PolarHBondContact N-O 2.75Å; H126-E129 PolarHBondContact O-N 2.92Å; N127-E129 PolarHBondContact O-N 2.87Å; E129-V131 PolarHBondContact O-N 2.9Å
130Q90.4Very high90.8Very high134 Ų13486.7 Ų86.763%0.62644%0.436SS*.EExtended strand (participates in β ladder)trans-80.2116.7173.7-76.1-79.256.500109.6Y124Y124-Q130 PolarHBondContact O-OE1 2.86Å
131V90.8Very high90.7Very high25 Ų2586.2 Ų86.215%0.15244%0.436CS..EExtended strand (participates in β ladder)trans-103.6121.2-179.9-174.90000109.6T123 Y124 H126 E129 K169T123-V131 WeakPolarHBondContact CA-O 3.39Å; Y124-V131 HydrophobicContact CD1-CB 4.17Å; Y124-V131 WeakPolarHBondContact CD1-O 3.44Å; Y124-V131 HydrophobicContact CE1-CB 3.7Å; Y124-V131 HydrophobicContact CE1-CG1 3.64Å; Y124-V131 HydrophobicContact CE2-CB 4.18Å; Y124-V131 HydrophobicContact CE2-CG2 4.49Å; Y124-V131 PolarHBondContact N-O 2.81Å; Y124-V131 PolarHBondContact O-N 2.93Å; H126-V131 HydrophobicContact CB-CG2 3.83Å; E129-V131 PolarHBondContact O-N 2.9Å; V131-K169 VanDerWaalsContact CG1-NZ 3.34Å
132K92.2Very high90.6Very high67 Ų6786.3 Ų86.329%0.29144%0.437SS..EExtended strand (participates in β ladder)trans-82140.6171.3-71.5173.6166-158.80111.4L31 D34 I121 T123 K169L31-K132 PolarHBondContact O-NZ 2.74Å; D34-K132 IonicContact OD1-NZ 2.7Å; D34-K132 PolarHBondContact OD1-NZ 3.23Å; I121-K132 HydrophobicContact CD1-CB 4.11Å; I121-K132 HydrophobicContact CD1-CD 3.71Å; I121-K132 HydrophobicContact CD1-CG 3.82Å; I121-K132 HydrophobicContact CG1-CB 4.46Å; I121-K132 HydrophobicContact CG1-CG 4.46Å; T123-K132 HydrophobicContact CG2-CG 3.91Å; K132-K169 PolarHBondContact O-NZ 2.83Å
133L92.6Very high90.8Very high63 Ų6385 Ų8533%0.3343%0.428SS..EExtended strand (participates in β ladder)trans-134.8151.616670.692.8000109.6I121 S122 Y124I121-L133 WeakPolarHBondContact CA-O 3.42Å; I121-L133 WeakPolarHBondContact CG1-O 3.4Å; S122-L133 PolarHBondContact N-O 3.44Å; S122-L133 PolarHBondContact O-N 3Å; Y124-L133 HydrophobicContact CD1-CD2 3.73Å; Y124-L133 HydrophobicContact CE1-CD2 3.76Å
134A93.4Very high91Very high34 Ų3481.7 Ų81.728%0.28141%0.407SS..EExtended strand (participates in β ladder)trans-109.2138.617100000109.3V29 L31 L112 F119 Y120V29-A134 HydrophobicContact CG1-CB 3.81Å; L31-A134 HydrophobicContact CD2-CB 3.99Å; L112-A134 HydrophobicContact CD1-CB 4.08Å; L112-A134 HydrophobicContact CD2-CB 4.16Å; F119-A134 HydrophobicContact CD2-CB 4.34Å; F119-A134 HydrophobicContact CE2-CB 3.58Å; F119-A134 HydrophobicContact CZ-CB 4.2Å; Y120-A134 CarbonylContact O-C 3.55Å; Y120-A134 VanDerWaalsContact O-CA 3.3Å; Y120-A134 WeakPolarHBondContact O-CA 3.36Å
135S92.2Very high91.2Very high41 Ų4177.4 Ų77.429%0.28739%0.391SS..EExtended strand (participates in β ladder)trans-144.7162.7-176.2-173.50000110.5F119 Y120F119-S135 WeakPolarHBondContact CD2-O 3.35Å; Y120-S135 WeakPolarHBondContact CD1-O 3.46Å; Y120-S135 WeakPolarHBondContact CE1-O 2.97Å; Y120-S135 PolarHBondContact N-O 3.28Å; Y120-S135 PolarHBondContact O-N 2.83Å; Y120-S135 PolarHBondContact OH-OG 2.9Å
136T92Very high91.4Very high68 Ų6870.9 Ų70.942%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-119.8133.4-176.255.80000111.7G118 F119 F138G118-T136 CarbonylContact O-C 3.57Å; G118-T136 VanDerWaalsContact O-CA 3.23Å; G118-T136 WeakPolarHBondContact O-CA 3.41Å; F119-T136 HydrophobicContact CD2-CG2 3.83Å; F119-T136 HydrophobicContact CE2-CG2 4.2Å; F119-T136 HydrophobicContact CG-CG2 4.26Å; T136-F138 HydrophobicContact CG2-CE1 3.65Å; T136-F138 HydrophobicContact CG2-CE2 4.11Å; T136-F138 HydrophobicContact CG2-CZ 3.34Å
137Q90.7Very high91.7Very high89 Ų8966.6 Ų66.642%0.41634%0.341SS..EExtended strand (participates in β ladder)trans-13496168.2177.259.933.400107.8M116 G118 Y120M116-Q137 WeakPolarHBondContact O-CB 3.46Å; G118-Q137 WeakPolarHBondContact CA-O 3.49Å; G118-Q137 PolarHBondContact N-O 2.91Å; G118-Q137 PolarHBondContact O-N 2.83Å; Y120-Q137 HydrophobicContact CD1-CB 4.48Å; Y120-Q137 HydrophobicContact CE1-CB 3.96Å
138F92.5Very high92.1Very high60 Ų6060.5 Ų60.526%0.26331%0.309SS..  trans-96.5-14.6-170.8-63.7-23.9000114.5T136 P140 N141 D142 A143 A146 F147T136-F138 HydrophobicContact CG2-CE1 3.65Å; T136-F138 HydrophobicContact CG2-CE2 4.11Å; T136-F138 HydrophobicContact CG2-CZ 3.34Å; F138-P140 CarbonylContact O-C 3.54Å; F138-N141 PolarHBondContact O-N 2.83Å; F138-N141 VanDerWaalsContact O-N 3.08Å; F138-D142 PolarHBondContact O-N 3.27Å; F138-A143 HydrophobicContact CB-CB 4.06Å; F138-A143 HydrophobicContact CD2-CB 4.1Å; F138-A143 HydrophobicContact CG-CB 4Å; F138-A146 HydrophobicContact CE1-CB 3.47Å; F138-A146 VanDerWaalsContact CE1-CB 3.47Å; F138-A146 HydrophobicContact CZ-CB 3.55Å; F138-F147 AromaticContact CE2-CE1 3.85Å; F138-F147 HydrophobicContact CE2-CE1 3.85Å; F138-F147 HydrophobicContact CZ-CE1 4.13Å
139E85.1Confident92.4Very high156 Ų15651.6 Ų51.673%0.72927%0.27SS*.THydrogen-bonded Turntrans-74.1134177.7-169.2179.4-174.600110.6
140P87Confident92.7Very high100 Ų10045.3 Ų45.365%0.64924%0.241SC*.THydrogen-bonded Turncis-91.7-19.9333.4-32.9000115.5F138F138-P140 CarbonylContact O-C 3.54Å
141N87.6Confident92.9Very high25 Ų2540.2 Ų40.213%0.13422%0.217CC..THydrogen-bonded Turntrans-155.632.5-167.965.7-21.8000113.2F11 F138 R144 D151F11-N141 WeakPolarHBondContact CE1-ND2 3.27Å; F11-N141 WeakPolarHBondContact CZ-ND2 3.41Å; F138-N141 PolarHBondContact O-N 2.83Å; F138-N141 VanDerWaalsContact O-N 3.08Å; N141-R144 VanDerWaalsContact O-CD 3.32Å; N141-R144 WeakPolarHBondContact O-CD 3.12Å; N141-R144 WeakPolarHBondContact O-CG 3.29Å; N141-R144 PolarHBondContact O-NE 3.03Å; N141-D151 WeakPolarHBondContact CA-OD2 3.25Å
142D92Very high92.9Very high23 Ų2340 Ų4012%0.12322%0.215CC..THydrogen-bonded Turntrans-102-1.3-175-83.9-54.3000113.3F138 R144 N145F138-D142 PolarHBondContact O-N 3.27Å; D142-R144 PolarHBondContact O-N 2.82Å; D142-N145 WeakPolarHBondContact O-CB 3.4Å; D142-N145 PolarHBondContact O-N 2.94Å; D142-N145 PolarHBondContact OD1-ND2 3.4Å
143A94.3Very high92.9Very high9 Ų942.6 Ų42.67%0.07424%0.239CC..G310 helixtrans-58.5-37.1171.100000111.1F138 N145 A146 F147F138-A143 HydrophobicContact CB-CB 4.06Å; F138-A143 HydrophobicContact CD2-CB 4.1Å; F138-A143 HydrophobicContact CG-CB 4Å; A143-N145 PolarHBondContact O-N 2.81Å; A143-A146 PolarHBondContact O-N 2.86Å; A143-F147 HydrophobicContact CB-CE1 4.27Å; A143-F147 HydrophobicContact CB-CZ 4.09Å; A143-F147 PolarHBondContact O-N 2.79Å; A143-F147 VanDerWaalsContact O-O 3.14Å
144R95.1Very high92.8Very high8 Ų844.8 Ų44.83%0.0325%0.249CC..G310 helixtrans-59.1-16.1175.574.4-170.866.5-160.5-9114.8H56 G58 I60 N141 D142 D151H56-R144 HydrophobicContact CB-CB 3.66Å; H56-R144 PolarHBondContact CD2-NH1 3.42Å; H56-R144 PolarHBondContact NE2-NH1 2.82Å; G58-R144 PolarHBondContact N-O 2.87Å; I60-R144 WeakPolarHBondContact CD1-O 3.33Å; N141-R144 VanDerWaalsContact O-CD 3.32Å; N141-R144 WeakPolarHBondContact O-CD 3.12Å; N141-R144 WeakPolarHBondContact O-CG 3.29Å; N141-R144 PolarHBondContact O-NE 3.03Å; D142-R144 PolarHBondContact O-N 2.82Å; R144-D151 HydrophobicContact CB-CB 4.24Å; R144-D151 IonicContact CZ-OD2 3.68Å; R144-D151 VanDerWaalsContact CZ-OD2 3.3Å; R144-D151 IonicContact NE-OD2 2.82Å; R144-D151 PolarHBondContact NE-OD2 2.94Å; R144-D151 PolarHBondContact NH2-O 2.95Å; R144-D151 IonicContact NH2-OD2 2.74Å; R144-D151 PolarHBondContact NH2-OD2 2.83Å
145N94.2Very high92.9Very high22 Ų2244.3 Ų44.312%0.11824%0.24CC..G310 helixtrans-90.7-12.6175.6-70.2-46.5000112.7G58 S59 I60 D142 A143G58-N145 WeakPolarHBondContact CA-OD1 3.26Å; S59-N145 PolarHBondContact N-OD1 2.85Å; I60-N145 WeakPolarHBondContact CG1-O 3.45Å; D142-N145 WeakPolarHBondContact O-CB 3.4Å; D142-N145 PolarHBondContact O-N 2.94Å; D142-N145 PolarHBondContact OD1-ND2 3.4Å; A143-N145 PolarHBondContact O-N 2.81Å
146A95.5Very high93Very high0 Ų051.2 Ų51.20%027%0.265CS..THydrogen-bonded Turntrans-104.7-37.7178.100000113.2F36 F108 F119 F138 A143F36-A146 WeakPolarHBondContact CE2-O 3.35Å; F108-A146 VanDerWaalsContact CE2-O 3.3Å; F108-A146 WeakPolarHBondContact CE2-O 3.39Å; F119-A146 HydrophobicContact CB-CB 3.84Å; F138-A146 HydrophobicContact CE1-CB 3.47Å; F138-A146 VanDerWaalsContact CE1-CB 3.47Å; F138-A146 HydrophobicContact CZ-CB 3.55Å; A143-A146 PolarHBondContact O-N 2.86Å
147F97.3Very high93.2Very high12 Ų1249.1 Ų49.15%0.05326%0.255CS..SBendtrans-153.5148.617456-82.2000110.8L25 F108 F138 A143 C149 F159L25-F147 HydrophobicContact CD1-CB 3.8Å; L25-F147 HydrophobicContact CD1-CG 4.07Å; L25-F147 HydrophobicContact CD2-CB 4.38Å; L25-F147 HydrophobicContact CD2-CD1 3.63Å; L25-F147 HydrophobicContact CD2-CD2 4.19Å; L25-F147 HydrophobicContact CD2-CE1 3.91Å; L25-F147 HydrophobicContact CD2-CE2 4.43Å; L25-F147 HydrophobicContact CD2-CG 3.8Å; L25-F147 HydrophobicContact CD2-CZ 4.3Å; F108-F147 HydrophobicContact CE1-CB 4.29Å; F108-F147 HydrophobicContact CE2-CB 4.06Å; F108-F147 HydrophobicContact CZ-CB 3.52Å; F138-F147 AromaticContact CE2-CE1 3.85Å; F138-F147 HydrophobicContact CE2-CE1 3.85Å; F138-F147 HydrophobicContact CZ-CE1 4.13Å; A143-F147 HydrophobicContact CB-CE1 4.27Å; A143-F147 HydrophobicContact CB-CZ 4.09Å; A143-F147 PolarHBondContact O-N 2.79Å; A143-F147 VanDerWaalsContact O-O 3.14Å; F147-C149 HydrophobicContact CD2-CB 3.75Å; F147-C149 HydrophobicContact CE2-CB 3.55Å; F147-C149 PolarHBondContact O-N 2.88Å; F147-C149 PolarHBondContact O-SG 2.88Å; F147-C149 VanDerWaalsContact O-SG 3.4Å; F147-F159 AromaticContact CE2-CE1 3.88Å; F147-F159 HydrophobicContact CE2-CE1 3.88Å; F147-F159 HydrophobicContact CZ-CE1 4.09Å
148P97.5Very high93.5Very high2 Ų249.1 Ų49.11%0.01326%0.261CS..  trans-64.1126.2175.7-15.528.1000111.9E40 F55 H56 I60 I62 L106 F108E40-P148 WeakPolarHBondContact OE1-CB 3.44Å; E40-P148 WeakPolarHBondContact OE1-CD 3.44Å; F55-P148 HydrophobicContact CD2-CB 3.68Å; F55-P148 HydrophobicContact CE2-CB 3.53Å; H56-P148 WeakPolarHBondContact O-CA 3.34Å; I60-P148 HydrophobicContact CG2-CG 4.42Å; I62-P148 HydrophobicContact CD1-CB 4.24Å; I62-P148 HydrophobicContact CD1-CG 3.86Å; I62-P148 HydrophobicContact CG1-CG 3.94Å; L106-P148 HydrophobicContact CD1-CB 4.12Å; L106-P148 HydrophobicContact CD1-CG 4.34Å; F108-P148 HydrophobicContact CD1-CG 4.11Å; F108-P148 HydrophobicContact CE1-CG 4.44Å; F108-P148 HydrophobicContact CG-CG 4.38Å
149C97.6Very high93.7Very high5 Ų549.8 Ų49.83%0.03426%0.264CS..BIsolated β-bridgetrans-159.2167.3-175.855.20000113.8Y23 H56 F147 D151Y23-C149 HydrophobicContact CE1-CB 4.1Å; H56-C149 WeakPolarHBondContact CA-O 3.32Å; H56-C149 VanDerWaalsContact CB-O 3.22Å; H56-C149 WeakPolarHBondContact CB-O 3.35Å; H56-C149 PolarHBondContact N-O 2.88Å; H56-C149 PolarHBondContact O-N 3.23Å; F147-C149 HydrophobicContact CD2-CB 3.75Å; F147-C149 HydrophobicContact CE2-CB 3.55Å; F147-C149 PolarHBondContact O-N 2.88Å; F147-C149 PolarHBondContact O-SG 2.88Å; F147-C149 VanDerWaalsContact O-SG 3.4Å; C149-D151 PolarHBondContact O-N 2.8Å
150W96.7Very high94.3Very high9 Ų945.3 Ų45.33%0.03424%0.242CC..  trans-78.771.3167.6-76.1-108.5000110.1V18 P20 Y23 V42 L44 V53 T54 F55 L104 E152 F155V18-W150 HydrophobicContact CB-CZ2 4.2Å; V18-W150 HydrophobicContact CG1-CH2 4.38Å; V18-W150 HydrophobicContact CG1-CZ2 3.88Å; V18-W150 PolarHBondContact O-NE1 2.71Å; P20-W150 HydrophobicContact CB-CE3 4.13Å; P20-W150 HydrophobicContact CG-CB 3.95Å; P20-W150 HydrophobicContact CG-CD2 4.16Å; P20-W150 HydrophobicContact CG-CE3 4.03Å; P20-W150 HydrophobicContact CG-CG 4.15Å; Y23-W150 PolarHBondContact OH-N 2.94Å; V42-W150 HydrophobicContact CG1-CZ3 4.2Å; L44-W150 HydrophobicContact CD1-CH2 4.08Å; L44-W150 HydrophobicContact CD2-CE3 4.43Å; L44-W150 HydrophobicContact CD2-CH2 3.35Å; L44-W150 HydrophobicContact CD2-CZ2 4.13Å; L44-W150 HydrophobicContact CD2-CZ3 3.53Å; L44-W150 HydrophobicContact CG-CH2 4.37Å; V53-W150 HydrophobicContact CG1-CH2 3.54Å; V53-W150 HydrophobicContact CG1-CZ2 3.56Å; T54-W150 PolarHBondContact O-NE1 2.92Å; F55-W150 HydrophobicContact CB-CD2 4.01Å; F55-W150 HydrophobicContact CB-CE3 3.94Å; F55-W150 HydrophobicContact CB-CH2 4.18Å; F55-W150 HydrophobicContact CB-CZ2 4.26Å; F55-W150 HydrophobicContact CB-CZ3 4.03Å; F55-W150 HydrophobicContact CD1-CH2 4.07Å; F55-W150 HydrophobicContact CD1-CZ3 4.36Å; F55-W150 HydrophobicContact CG-CZ3 4.48Å; L104-W150 HydrophobicContact CD2-CH2 4.44Å; W150-E152 PolarHBondContact O-N 3.08Å; W150-F155 HydrophobicContact CB-CB 3.72Å; W150-F155 HydrophobicContact CB-CD1 4.45Å; W150-F155 HydrophobicContact CB-CD2 3.72Å; W150-F155 HydrophobicContact CB-CE2 4.45Å; W150-F155 HydrophobicContact CB-CG 3.72Å; W150-F155 HydrophobicContact CG-CD2 4.36Å; W150-F155 HydrophobicContact CG-CG 4.3Å
151D94.5Very high94.7Very high26 Ų2642 Ų4214%0.13922%0.218CC..  trans-72.261.6-175.9-170.331.6000113.7H56 N141 R144 C149H56-D151 HydrophobicContact CB-CB 3.87Å; H56-D151 PolarHBondContact ND1-N 3.16Å; H56-D151 VanDerWaalsContact ND1-N 3.16Å; N141-D151 WeakPolarHBondContact CA-OD2 3.25Å; R144-D151 HydrophobicContact CB-CB 4.24Å; R144-D151 IonicContact CZ-OD2 3.68Å; R144-D151 VanDerWaalsContact CZ-OD2 3.3Å; R144-D151 IonicContact NE-OD2 2.82Å; R144-D151 PolarHBondContact NE-OD2 2.94Å; R144-D151 PolarHBondContact NH2-O 2.95Å; R144-D151 IonicContact NH2-OD2 2.74Å; R144-D151 PolarHBondContact NH2-OD2 2.83Å; C149-D151 PolarHBondContact O-N 2.8Å
152E91.6Very high95Very high20 Ų2041.6 Ų41.69%0.09322%0.217CC..SBendtrans-136.5140.5166.8-44.3-176.7173.500109.6R13 V14 H56 W150 M154 F155R13-E152 VanDerWaalsContact CA-OE1 3.31Å; R13-E152 WeakPolarHBondContact CA-OE1 3.26Å; R13-E152 IonicContact CZ-OE2 3.12Å; R13-E152 IonicContact NE-OE1 3.17Å; R13-E152 PolarHBondContact NE-OE1 3.12Å; R13-E152 IonicContact NE-OE2 2.73Å; R13-E152 PolarHBondContact NE-OE2 2.81Å; R13-E152 IonicContact NH2-OE2 2.68Å; R13-E152 PolarHBondContact NH2-OE2 2.97Å; V14-E152 HydrophobicContact CG2-CG 4.42Å; V14-E152 PolarHBondContact N-OE1 3.35Å; H56-E152 VanDerWaalsContact CE1-CG 3.48Å; H56-E152 WeakPolarHBondContact CE1-CG 3.38Å; H56-E152 IonicContact CE1-OE1 2.64Å; W150-E152 PolarHBondContact O-N 3.08Å; E152-M154 HydrophobicContact CB-CG 4.36Å; E152-M154 PolarHBondContact O-N 3.35Å; E152-F155 HydrophobicContact CB-CD2 3.77Å; E152-F155 HydrophobicContact CB-CE2 4Å; E152-F155 HydrophobicContact CG-CD2 4.11Å; E152-F155 HydrophobicContact CG-CE2 3.98Å; E152-F155 PolarHBondContact O-N 3.23Å; E152-F155 WeakPolarHBondContact OE2-CE2 3.47Å
153P90.9Very high95.1Very high122 Ų12241.5 Ų41.579%0.79222%0.216SC*.THydrogen-bonded Turntrans-56.7-19.3-172.8-28.434.6000116.4
154M92.1Very high95.1Very high110 Ų11041.9 Ų41.954%0.54222%0.217SC..THydrogen-bonded Turntrans-77.4-19.8178.365.8-176.5-77.300113.9R13 E152 K156R13-M154 PolarHBondContact NH2-SD 3.21Å; E152-M154 HydrophobicContact CB-CG 4.36Å; E152-M154 PolarHBondContact O-N 3.35Å; M154-K156 PolarHBondContact O-N 2.81Å
155F94.1Very high95Very high23 Ų2342.2 Ų42.210%0.10122%0.22CC..  trans-9272.3-179.9-60.5-68000110.8V14 V19 P20 W150 E152V14-F155 HydrophobicContact CG2-CD2 4.29Å; V14-F155 HydrophobicContact CG2-CE2 3.42Å; V14-F155 VanDerWaalsContact CG2-CE2 3.42Å; V14-F155 HydrophobicContact CG2-CZ 3.84Å; V19-F155 HydrophobicContact CB-CD1 4.3Å; V19-F155 HydrophobicContact CG1-CD1 3.91Å; V19-F155 HydrophobicContact CG1-CE1 3.8Å; P20-F155 HydrophobicContact CG-CB 4.24Å; W150-F155 HydrophobicContact CB-CB 3.72Å; W150-F155 HydrophobicContact CB-CD1 4.45Å; W150-F155 HydrophobicContact CB-CD2 3.72Å; W150-F155 HydrophobicContact CB-CE2 4.45Å; W150-F155 HydrophobicContact CB-CG 3.72Å; W150-F155 HydrophobicContact CG-CD2 4.36Å; W150-F155 HydrophobicContact CG-CG 4.3Å; E152-F155 HydrophobicContact CB-CD2 3.77Å; E152-F155 HydrophobicContact CB-CE2 4Å; E152-F155 HydrophobicContact CG-CD2 4.11Å; E152-F155 HydrophobicContact CG-CE2 3.98Å; E152-F155 PolarHBondContact O-N 3.23Å; E152-F155 WeakPolarHBondContact OE2-CE2 3.47Å
156K94.1Very high94.8Very high186 Ų18642.3 Ų42.381%0.80922%0.221SC*.  trans-71.8134.3175.7-63-173.8178.4-175.60110.9M154M154-K156 PolarHBondContact O-N 2.81Å
157A96.9Very high94.4Very high25 Ų2544.9 Ų44.921%0.20723%0.234CC..  trans-144.5160.617300000109.4P20 Y23 F159P20-A157 HydrophobicContact CB-CB 4.29Å; P20-A157 HydrophobicContact CG-CB 4.42Å; Y23-A157 HydrophobicContact CD2-CB 3.7Å; Y23-A157 HydrophobicContact CE2-CB 3.58Å; A157-F159 HydrophobicContact CB-CE2 4.37Å
158T97.2Very high93.9Very high88 Ų8850.7 Ų50.754%0.5427%0.265SS..EExtended strand (participates in β ladder)trans-86.6154.9168.346.70000110.3T21 H22 Y23T21-T158 PolarHBondContact O-N 2.7Å; H22-T158 CarbonylContact C-O 3.49Å; H22-T158 WeakPolarHBondContact CA-O 3.34Å; H22-T158 PolarHBondContact ND1-O 2.98Å; H22-T158 PolarHBondContact ND1-OG1 3.39Å; Y23-T158 PolarHBondContact N-O 3.45Å
159F97Very high93.4Very high74 Ų7453 Ų5333%0.32528%0.275SS..EExtended strand (participates in β ladder)trans-130.7124.5-176.7-71.5-97.8000109.5Y23 F147 A157 I161Y23-F159 HydrophobicContact CD1-CE1 4.16Å; Y23-F159 HydrophobicContact CD2-CD1 4.02Å; Y23-F159 AromaticContact CD2-CE1 3.47Å; Y23-F159 HydrophobicContact CD2-CE1 3.47Å; Y23-F159 VanDerWaalsContact CD2-CE1 3.47Å; Y23-F159 HydrophobicContact CD2-CE2 4.17Å; Y23-F159 AromaticContact CD2-CZ 3.55Å; Y23-F159 HydrophobicContact CD2-CZ 3.55Å; Y23-F159 HydrophobicContact CE2-CE1 4.02Å; Y23-F159 AromaticContact CE2-CZ 3.77Å; Y23-F159 HydrophobicContact CE2-CZ 3.77Å; Y23-F159 AromaticContact CG-CD1 3.93Å; Y23-F159 HydrophobicContact CG-CD1 3.93Å; Y23-F159 AromaticContact CG-CE1 3.55Å; Y23-F159 HydrophobicContact CG-CE1 3.55Å; Y23-F159 HydrophobicContact CG-CZ 4.14Å; Y23-F159 CarbonylContact O-C 3.59Å; Y23-F159 WeakPolarHBondContact O-CA 3.44Å; F147-F159 AromaticContact CE2-CE1 3.88Å; F147-F159 HydrophobicContact CE2-CE1 3.88Å; F147-F159 HydrophobicContact CZ-CE1 4.09Å; A157-F159 HydrophobicContact CB-CE2 4.37Å; F159-I161 HydrophobicContact CB-CD1 4.39Å; F159-I161 HydrophobicContact CB-CG1 4.17Å
160K96.3Very high93Very high62 Ų6258.4 Ų58.427%0.2731%0.308SS..EExtended strand (participates in β ladder)trans-98.9122.3160.8-179.9174.1179.5165.60107.7Y23 D24 L25 D196 K197Y23-K160 PolarHBondContact O-N 2.8Å; D24-K160 CarbonylContact C-O 3.52Å; D24-K160 WeakPolarHBondContact CA-O 3.13Å; D24-K160 VanDerWaalsContact OD1-CB 3.28Å; D24-K160 WeakPolarHBondContact OD1-CB 3.37Å; D24-K160 WeakPolarHBondContact OD1-CD 3.29Å; L25-K160 PolarHBondContact N-O 2.87Å; K160-D196 WeakPolarHBondContact CE-OD1 3.49Å; K160-D196 WeakPolarHBondContact CE-OD2 3.23Å; K160-D196 IonicContact NZ-OD1 3.72Å; K160-D196 IonicContact NZ-OD2 3.3Å; K160-D196 PolarHBondContact NZ-OD2 3.17Å; K160-K197 CarbonylContact C-O 3.48Å; K160-K197 WeakPolarHBondContact CA-O 3.28Å
161I95.5Very high92.7Very high30 Ų3058.2 Ų58.215%0.15431%0.308CS..EExtended strand (participates in β ladder)trans-115.2122.2-172.3-60.5174.3000110L25 F159 L163 K197L25-I161 CarbonylContact O-C 3.53Å; L25-I161 WeakPolarHBondContact O-CA 3.48Å; F159-I161 HydrophobicContact CB-CD1 4.39Å; F159-I161 HydrophobicContact CB-CG1 4.17Å; I161-L163 HydrophobicContact CG2-CD2 4.05Å; I161-L163 HydrophobicContact CG2-CG 3.99Å; I161-K197 PolarHBondContact N-O 3.4Å; I161-K197 PolarHBondContact O-N 2.96Å
162T95.2Very high92.5Very high17 Ų1763.6 Ų63.610%0.10434%0.336CS..EExtended strand (participates in β ladder)trans-105.4120.9167.3-64.80000110.6L25 K26 L27 I164 L194 I195 D196L25-T162 PolarHBondContact O-N 2.82Å; K26-T162 CarbonylContact C-O 3.57Å; K26-T162 VanDerWaalsContact CA-O 3.29Å; K26-T162 WeakPolarHBondContact CA-O 3.38Å; K26-T162 HydrophobicContact CG-CG2 3.88Å; L27-T162 PolarHBondContact N-O 3.32Å; T162-I164 HydrophobicContact CG2-CG1 4.23Å; T162-L194 HydrophobicContact CG2-CD1 4.39Å; T162-L194 HydrophobicContact CG2-CD2 3.42Å; T162-L194 VanDerWaalsContact CG2-CD2 3.42Å; T162-L194 HydrophobicContact CG2-CG 3.67Å; T162-I195 CarbonylContact C-O 3.51Å; T162-I195 WeakPolarHBondContact CA-O 3.14Å; T162-D196 PolarHBondContact OG1-OD1 2.73Å
163L94.4Very high92.4Very high22 Ų2264.3 Ų64.312%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-106.8129.2173-64.5178.9000110.7L27 I161 V165 A171 L194 I195L27-L163 HydrophobicContact CB-CD2 3.94Å; L27-L163 HydrophobicContact CD1-CD2 4.41Å; L27-L163 WeakPolarHBondContact O-CA 3.38Å; I161-L163 HydrophobicContact CG2-CD2 4.05Å; I161-L163 HydrophobicContact CG2-CG 3.99Å; L163-V165 HydrophobicContact CB-CG1 4.41Å; L163-A171 HydrophobicContact CB-CB 3.86Å; L163-A171 HydrophobicContact CD1-CB 3.72Å; L163-A171 HydrophobicContact CG-CB 4.44Å; L163-L194 WeakPolarHBondContact O-CA 3.22Å; L163-I195 PolarHBondContact N-O 2.92Å; L163-I195 PolarHBondContact O-N 3.16Å
164I94.2Very high92.2Very high17 Ų1766 Ų669%0.08735%0.346CS..EExtended strand (participates in β ladder)trans-112.6106.7177.9-66.8-177.7000107K26 L27 K28 V29 T162 L183 I192 K193 L194K26-I164 HydrophobicContact CD-CD1 3.82Å; K26-I164 HydrophobicContact CG-CD1 3.94Å; K26-I164 HydrophobicContact CG-CG1 4.46Å; L27-I164 PolarHBondContact O-N 3.02Å; K28-I164 WeakPolarHBondContact CA-O 3.46Å; K28-I164 HydrophobicContact CB-CB 3.89Å; K28-I164 HydrophobicContact CB-CG2 3.93Å; K28-I164 HydrophobicContact CD-CG2 4.17Å; K28-I164 HydrophobicContact CG-CB 4.14Å; K28-I164 HydrophobicContact CG-CG2 3.64Å; V29-I164 PolarHBondContact N-O 2.81Å; T162-I164 HydrophobicContact CG2-CG1 4.23Å; I164-L183 HydrophobicContact CD1-CD1 4.48Å; I164-L183 HydrophobicContact CG2-CD1 4.28Å; I164-I192 HydrophobicContact CB-CG2 4.26Å; I164-I192 HydrophobicContact CG2-CB 4.45Å; I164-I192 HydrophobicContact CG2-CG2 3.04Å; I164-K193 VanDerWaalsContact CA-O 3.29Å; I164-K193 WeakPolarHBondContact CA-O 3.19Å; I164-L194 HydrophobicContact CD1-CD1 4.17Å; I164-L194 HydrophobicContact CD1-CG 4.38Å; I164-L194 HydrophobicContact CG1-CB 4.43Å; I164-L194 HydrophobicContact CG1-CD1 4.29Å; I164-L194 HydrophobicContact CG1-CG 3.96Å
165V91.7Very high91.8Very high14 Ų1463.7 Ų63.79%0.08534%0.338CS..EExtended strand (participates in β ladder)trans-129.8159.7-171.7-60.30000111.7V29 L163 K169 A171 I192 K193V29-V165 HydrophobicContact CB-CG1 4.42Å; V29-V165 HydrophobicContact CG2-CG1 4.19Å; L163-V165 HydrophobicContact CB-CG1 4.41Å; V165-K169 HydrophobicContact CB-CB 4.44Å; V165-K169 HydrophobicContact CG2-CB 4.36Å; V165-A171 HydrophobicContact CG1-CB 4.01Å; V165-A171 HydrophobicContact CG2-CB 4.08Å; V165-I192 CarbonylContact O-C 3.54Å; V165-I192 WeakPolarHBondContact O-CA 3.03Å; V165-K193 HydrophobicContact CG2-CB 4.32Å; V165-K193 PolarHBondContact N-O 3.29Å; V165-K193 PolarHBondContact O-N 3.14Å
166P89.7Confident91.4Very high24 Ų2471 Ų7116%0.15637%0.372CS..EExtended strand (participates in β ladder)trans-55.3146.5174.3-25.834.9000112.7L31 N168 K169L31-P166 HydrophobicContact CD1-CG 4.33Å; P166-N168 WeakPolarHBondContact CB-OD1 3.36Å; P166-N168 PolarHBondContact O-N 2.74Å; P166-N168 VanDerWaalsContact O-N 3.14Å; P166-K169 HydrophobicContact CB-CG 4.06Å; P166-K169 HydrophobicContact CG-CG 4.26Å; P166-K169 WeakPolarHBondContact O-CB 3.33Å; P166-K169 PolarHBondContact O-N 2.95Å
167E87Confident91Very high55 Ų5565.9 Ų65.926%0.25735%0.353SS..THydrogen-bonded Turntrans-57.3-32.3-175.1-171.8-177.5-158.700113.3K169 R191 K193E167-K169 PolarHBondContact O-N 3.49Å; E167-R191 HydrophobicContact CB-CB 3.9Å; E167-R191 WeakPolarHBondContact CB-O 3.42Å; E167-R191 HydrophobicContact CG-CB 4.33Å; E167-R191 PolarHBondContact N-O 2.89Å; E167-R191 IonicContact OE1-NH1 3.28Å; E167-R191 PolarHBondContact OE1-NH1 3.45Å; E167-R191 VanDerWaalsContact OE2-CB 3.26Å; E167-R191 WeakPolarHBondContact OE2-CB 3.47Å; E167-R191 WeakPolarHBondContact OE2-CD 3.36Å; E167-R191 IonicContact OE2-CZ 3.73Å; E167-R191 IonicContact OE2-NE 3.61Å; E167-R191 IonicContact OE2-NH1 3.36Å; E167-R191 PolarHBondContact OE2-NH1 2.86Å; E167-K193 HydrophobicContact CG-CD 4.33Å; E167-K193 HydrophobicContact CG-CG 4.4Å; E167-K193 WeakPolarHBondContact O-CD 3.36Å; E167-K193 WeakPolarHBondContact O-CE 3.41Å; E167-K193 PolarHBondContact O-NZ 3.13Å
168N86.7Confident90.4Very high133 Ų13370.2 Ų70.271%0.71137%0.369SS*.THydrogen-bonded Turntrans-81.96.7178.568.2-9.3000114P166P166-N168 WeakPolarHBondContact CB-OD1 3.36Å; P166-N168 PolarHBondContact O-N 2.74Å; P166-N168 VanDerWaalsContact O-N 3.14Å
169K88.8Confident89.8Confident50 Ų5073.5 Ų73.522%0.21737%0.371CS..  trans-110.8160.6176.8-58.8-64.3175175.70111.7L31 V131 K132 V165 P166 E167L31-K169 HydrophobicContact CD1-CD 4.33Å; L31-K169 HydrophobicContact CD1-CG 4.22Å; V131-K169 VanDerWaalsContact CG1-NZ 3.34Å; K132-K169 PolarHBondContact O-NZ 2.83Å; V165-K169 HydrophobicContact CB-CB 4.44Å; V165-K169 HydrophobicContact CG2-CB 4.36Å; P166-K169 HydrophobicContact CB-CG 4.06Å; P166-K169 HydrophobicContact CG-CG 4.26Å; P166-K169 WeakPolarHBondContact O-CB 3.33Å; P166-K169 PolarHBondContact O-N 2.95Å; E167-K169 PolarHBondContact O-N 3.49Å
170V88.7Confident89.3Confident120 Ų12074.1 Ų74.173%0.72738%0.375SS*.  trans-109.7136.9170.4178.80000107.4L172V170-L172 HydrophobicContact CG1-CD2 4.1Å; V170-L172 HydrophobicContact CG1-CG 4.35Å
171A90.1Very high88.8Confident5 Ų573.3 Ų73.34%0.04138%0.375CS..  trans-106.1132.9172.300000110.7L163 V165 I195L163-A171 HydrophobicContact CB-CB 3.86Å; L163-A171 HydrophobicContact CD1-CB 3.72Å; L163-A171 HydrophobicContact CG-CB 4.44Å; V165-A171 HydrophobicContact CG1-CB 4.01Å; V165-A171 HydrophobicContact CG2-CB 4.08Å; A171-I195 HydrophobicContact CB-CB 4.47Å; A171-I195 HydrophobicContact CB-CD1 3.37Å; A171-I195 HydrophobicContact CB-CG1 4.44Å
172L89.4Confident88.1Confident139 Ų13975.9 Ų75.973%0.72839%0.389SS*.  trans-122.4154.9177.5-58.6176.3000108.8V170V170-L172 HydrophobicContact CG1-CD2 4.1Å; V170-L172 HydrophobicContact CG1-CG 4.35Å
173S90.3Very high87.4Confident35 Ų3577.9 Ų77.925%0.24540%0.399CS..  trans-173177.1-178.1147.60000107.3T175 K197S173-T175 PolarHBondContact O-N 3.36Å; S173-K197 VanDerWaalsContact CB-CD 3.45Å; S173-K197 PolarHBondContact O-NZ 2.8Å; S173-K197 WeakPolarHBondContact OG-CD 3.29Å
174N86.6Confident86.1Confident157 Ų15781.6 Ų81.684%0.8443%0.432SS*.SBendtrans-56.5-41.8-165.4-61.862.6000115.1
175T84.8Confident84.1Confident62 Ų6283.9 Ų83.938%0.3845%0.447SS..SBendtrans-107.1172.4-17659.40000112.2S173 K197 S198S173-T175 PolarHBondContact O-N 3.36Å; T175-K197 WeakPolarHBondContact O-CD 3.31Å; T175-K197 WeakPolarHBondContact O-CE 3.45Å; T175-K197 PolarHBondContact O-NZ 2.73Å; T175-S198 WeakPolarHBondContact CB-O 3.41Å; T175-S198 VanDerWaalsContact CG2-O 3.29Å; T175-S198 WeakPolarHBondContact CG2-O 3.38Å; T175-S198 PolarHBondContact OG1-O 2.96Å
176E83.9Confident81.9Confident175 Ų17592.7 Ų92.782%0.81848%0.484SS*.  trans-64153.1176.8-65.9-171.7167.200111.5E178E176-E178 PolarHBondContact O-N 2.97Å
177I85.9Confident79.3Confident79 Ų7999 Ų9941%0.40552%0.515SS..  trans-72.2113.8175.9-63.4170.1000108.2R179 H180 I195 K197I177-R179 WeakPolarHBondContact CG2-O 3.29Å; I177-H180 HydrophobicContact CG2-CB 4.46Å; I177-I195 HydrophobicContact CB-CG2 4.35Å; I177-I195 HydrophobicContact CD1-CG2 4.08Å; I177-I195 HydrophobicContact CG1-CG2 3.76Å; I177-I195 HydrophobicContact CG2-CG2 3.82Å; I177-K197 HydrophobicContact CG1-CG 4.48Å
178E84.3Confident76.9Confident117 Ų117101.8 Ų101.855%0.54754%0.539SS..SBendtrans-73.5-43.8173.8-171.7-170.3167.300110.2E176 D196E176-E178 PolarHBondContact O-N 2.97Å; E178-D196 WeakPolarHBondContact CB-O 3.25Å; E178-D196 PolarHBondContact N-O 3.02Å
179R84.2Confident74.5Confident156 Ų156103.2 Ų103.259%0.58955%0.547SS*.EExtended strand (participates in β ladder)trans-145.8141-175.9-175.3177.5173.21722.8112.1I177 T181 I195 D196I177-R179 WeakPolarHBondContact CG2-O 3.29Å; R179-T181 PolarHBondContact NE-OG1 3.02Å; R179-T181 VanDerWaalsContact NE-OG1 3.09Å; R179-I195 CarbonylContact O-C 3.53Å; R179-I195 VanDerWaalsContact O-CA 3.27Å; R179-I195 WeakPolarHBondContact O-CA 3.17Å; R179-D196 HydrophobicContact CB-CB 3.96Å; R179-D196 PolarHBondContact N-O 2.68Å; R179-D196 PolarHBondContact O-N 3.21Å
180H86.7Confident72.3Confident88 Ų88105 Ų10541%0.40756%0.558SS.*EExtended strand (participates in β ladder)trans-124.4130.7170175.9-82.8000109.6I177 K193 L194I177-H180 HydrophobicContact CG2-CB 4.46Å; H180-K193 WeakPolarHBondContact NE2-CD 3.43Å; H180-K193 WeakPolarHBondContact NE2-CE 3.41Å; H180-K193 WeakPolarHBondContact NE2-CG 3.43Å; H180-L194 CarbonylContact C-O 3.55Å; H180-L194 WeakPolarHBondContact CA-O 3.48Å
181T85.8Confident70Confident44 Ų44106.6 Ų106.627%0.2755%0.551SS.*EExtended strand (participates in β ladder)trans-142.5130.8-178.7-62.20000110.5R179 K193 L194R179-T181 PolarHBondContact NE-OG1 3.02Å; R179-T181 VanDerWaalsContact NE-OG1 3.09Å; T181-K193 CarbonylContact O-C 3.57Å; T181-K193 WeakPolarHBondContact O-CA 3.49Å; T181-L194 PolarHBondContact N-O 3.45Å; T181-L194 PolarHBondContact O-N 3.01Å
182I82.1Confident68.2Low85 Ų85107.7 Ų107.744%0.43656%0.557SS.*EExtended strand (participates in β ladder)trans-83.9121.9172.1-59.9168.4000107.9R191 K193I182-R191 HydrophobicContact CG2-CB 4.45Å; I182-K193 HydrophobicContact CG1-CG 4.08Å
183L79.8Confident66.3Low59 Ų59103.2 Ų103.231%0.30953%0.531SS..EExtended strand (participates in β ladder)trans-80.4124.6174.3-57.6177.4000109I164 T185 I192 L194I164-L183 HydrophobicContact CD1-CD1 4.48Å; I164-L183 HydrophobicContact CG2-CD1 4.28Å; L183-T185 PolarHBondContact O-N 2.96Å; L183-I192 HydrophobicContact CB-CB 4.32Å; L183-I192 WeakPolarHBondContact CB-O 3.33Å; L183-I192 HydrophobicContact CD1-CB 4.25Å; L183-I192 HydrophobicContact CD1-CG2 3.9Å; L183-I192 PolarHBondContact N-O 3.22Å; L183-L194 HydrophobicContact CD1-CB 4.23Å; L183-L194 HydrophobicContact CD1-CD1 4.15Å; L183-L194 HydrophobicContact CD2-CB 4.16Å; L183-L194 HydrophobicContact CD2-CD1 3.86Å; L183-L194 HydrophobicContact CG-CB 4.11Å; L183-L194 HydrophobicContact CG-CD1 4.41Å
184A66.5Low64.3Low99 Ų99103.4 Ų103.482%0.81853%0.529SS*.  trans-76.6104.1170.700000109.3K186A184-K186 PolarHBondContact O-N 2.88Å
185T53.8Low62.9Low65 Ų6596.1 Ų96.140%0.39949%0.49SS..  trans-73.6116.9173.8-42.40000108.7L183 I187 D190L183-T185 PolarHBondContact O-N 2.96Å; T185-I187 PolarHBondContact O-N 2.79Å; T185-I187 VanDerWaalsContact O-N 3.1Å; T185-D190 VanDerWaalsContact CB-O 3.32Å; T185-D190 WeakPolarHBondContact CB-O 3.32Å; T185-D190 PolarHBondContact OG1-O 3.46Å
186K43.8Very low61.2Low199 Ų19994.2 Ų94.287%0.86548%0.478SS*.SBendtrans-73.499.4167.2-80.2-176.2176.4179.50107.9A184A184-K186 PolarHBondContact O-N 2.88Å
187I36Very low59.6Low158 Ų15886.2 Ų86.281%0.8144%0.44SS*.SBendtrans78125.1163.4-50.6174.2000115.3T185T185-I187 PolarHBondContact O-N 2.79Å; T185-I187 VanDerWaalsContact O-N 3.1Å
188C36.2Very low57.4Low112 Ų11287 Ų8776%0.75745%0.453SS*.SBendtrans74.987-178.1-87.70000118.5D190C188-D190 PolarHBondContact O-N 3.33Å
189D36.7Very low56Low163 Ų16385.6 Ų85.687%0.87245%0.448SS*.SBendtrans69.40.1137.8-100.8-0.5000124.9
190D43Very low54.6Low87 Ų8781.8 Ų81.847%0.46544%0.441SS..  trans-136.4121.7167.3-77.9-51.4000113.2T185 C188T185-D190 VanDerWaalsContact CB-O 3.32Å; T185-D190 WeakPolarHBondContact CB-O 3.32Å; T185-D190 PolarHBondContact OG1-O 3.46Å; C188-D190 PolarHBondContact O-N 3.33Å
191R40.1Very low52.8Low154 Ų15481.5 Ų81.558%0.58144%0.443SS*.  trans-79.3139164.3-62.2-167.5-138.3154.9-5108.6E167 I182E167-R191 HydrophobicContact CB-CB 3.9Å; E167-R191 WeakPolarHBondContact CB-O 3.42Å; E167-R191 HydrophobicContact CG-CB 4.33Å; E167-R191 PolarHBondContact N-O 2.89Å; E167-R191 IonicContact OE1-NH1 3.28Å; E167-R191 PolarHBondContact OE1-NH1 3.45Å; E167-R191 VanDerWaalsContact OE2-CB 3.26Å; E167-R191 WeakPolarHBondContact OE2-CB 3.47Å; E167-R191 WeakPolarHBondContact OE2-CD 3.36Å; E167-R191 IonicContact OE2-CZ 3.73Å; E167-R191 IonicContact OE2-NE 3.61Å; E167-R191 IonicContact OE2-NH1 3.36Å; E167-R191 PolarHBondContact OE2-NH1 2.86Å; I182-R191 HydrophobicContact CG2-CB 4.45Å
192I52.4Low50.8Low29 Ų2983.7 Ų83.715%0.14945%0.453CS..EExtended strand (participates in β ladder)trans-121.9135.7-172.2-64.1176.9000109.1I164 V165 L183I164-I192 HydrophobicContact CB-CG2 4.26Å; I164-I192 HydrophobicContact CG2-CB 4.45Å; I164-I192 HydrophobicContact CG2-CG2 3.04Å; V165-I192 CarbonylContact O-C 3.54Å; V165-I192 WeakPolarHBondContact O-CA 3.03Å; L183-I192 HydrophobicContact CB-CB 4.32Å; L183-I192 WeakPolarHBondContact CB-O 3.33Å; L183-I192 HydrophobicContact CD1-CB 4.25Å; L183-I192 HydrophobicContact CD1-CG2 3.9Å; L183-I192 PolarHBondContact N-O 3.22Å
193K49.4Very low48.9Very low45 Ų4583.6 Ų83.620%0.19645%0.454CS..EExtended strand (participates in β ladder)trans-98131.1174.5-76.3169166.8175.50110.1I164 V165 E167 H180 T181 I182I164-K193 VanDerWaalsContact CA-O 3.29Å; I164-K193 WeakPolarHBondContact CA-O 3.19Å; V165-K193 HydrophobicContact CG2-CB 4.32Å; V165-K193 PolarHBondContact N-O 3.29Å; V165-K193 PolarHBondContact O-N 3.14Å; E167-K193 HydrophobicContact CG-CD 4.33Å; E167-K193 HydrophobicContact CG-CG 4.4Å; E167-K193 WeakPolarHBondContact O-CD 3.36Å; E167-K193 WeakPolarHBondContact O-CE 3.41Å; E167-K193 PolarHBondContact O-NZ 3.13Å; H180-K193 WeakPolarHBondContact NE2-CD 3.43Å; H180-K193 WeakPolarHBondContact NE2-CE 3.41Å; H180-K193 WeakPolarHBondContact NE2-CG 3.43Å; T181-K193 CarbonylContact O-C 3.57Å; T181-K193 WeakPolarHBondContact O-CA 3.49Å; I182-K193 HydrophobicContact CG1-CG 4.08Å
194L48.3Very low46.8Very low39 Ų3985.3 Ų85.320%0.20446%0.464CS..EExtended strand (participates in β ladder)trans-103122.7174-162.4158000108.2T162 L163 I164 H180 T181 L183T162-L194 HydrophobicContact CG2-CD1 4.39Å; T162-L194 HydrophobicContact CG2-CD2 3.42Å; T162-L194 VanDerWaalsContact CG2-CD2 3.42Å; T162-L194 HydrophobicContact CG2-CG 3.67Å; L163-L194 WeakPolarHBondContact O-CA 3.22Å; I164-L194 HydrophobicContact CD1-CD1 4.17Å; I164-L194 HydrophobicContact CD1-CG 4.38Å; I164-L194 HydrophobicContact CG1-CB 4.43Å; I164-L194 HydrophobicContact CG1-CD1 4.29Å; I164-L194 HydrophobicContact CG1-CG 3.96Å; H180-L194 CarbonylContact C-O 3.55Å; H180-L194 WeakPolarHBondContact CA-O 3.48Å; T181-L194 PolarHBondContact N-O 3.45Å; T181-L194 PolarHBondContact O-N 3.01Å; L183-L194 HydrophobicContact CD1-CB 4.23Å; L183-L194 HydrophobicContact CD1-CD1 4.15Å; L183-L194 HydrophobicContact CD2-CB 4.16Å; L183-L194 HydrophobicContact CD2-CD1 3.86Å; L183-L194 HydrophobicContact CG-CB 4.11Å; L183-L194 HydrophobicContact CG-CD1 4.41Å
195I57.7Low45.4Very low4 Ų484.3 Ų84.32%0.02144%0.438CS..EExtended strand (participates in β ladder)trans-121.4116.7-177.1-68.7170.8000108.1T162 L163 A171 I177 R179 K197T162-I195 CarbonylContact C-O 3.51Å; T162-I195 WeakPolarHBondContact CA-O 3.14Å; L163-I195 PolarHBondContact N-O 2.92Å; L163-I195 PolarHBondContact O-N 3.16Å; A171-I195 HydrophobicContact CB-CB 4.47Å; A171-I195 HydrophobicContact CB-CD1 3.37Å; A171-I195 HydrophobicContact CB-CG1 4.44Å; I177-I195 HydrophobicContact CB-CG2 4.35Å; I177-I195 HydrophobicContact CD1-CG2 4.08Å; I177-I195 HydrophobicContact CG1-CG2 3.76Å; I177-I195 HydrophobicContact CG2-CG2 3.82Å; R179-I195 CarbonylContact O-C 3.53Å; R179-I195 VanDerWaalsContact O-CA 3.27Å; R179-I195 WeakPolarHBondContact O-CA 3.17Å; I195-K197 HydrophobicContact CG2-CG 4.3Å
196D49.9Very low44.8Very low21 Ų2185.8 Ų85.811%0.11244%0.441CS..EExtended strand (participates in β ladder)trans-99.5137.2177.2-157.51.2000110.4K160 T162 E178 R179K160-D196 WeakPolarHBondContact CE-OD1 3.49Å; K160-D196 WeakPolarHBondContact CE-OD2 3.23Å; K160-D196 IonicContact NZ-OD1 3.72Å; K160-D196 IonicContact NZ-OD2 3.3Å; K160-D196 PolarHBondContact NZ-OD2 3.17Å; T162-D196 PolarHBondContact OG1-OD1 2.73Å; E178-D196 WeakPolarHBondContact CB-O 3.25Å; E178-D196 PolarHBondContact N-O 3.02Å; R179-D196 HydrophobicContact CB-CB 3.96Å; R179-D196 PolarHBondContact N-O 2.68Å; R179-D196 PolarHBondContact O-N 3.21Å
197K48.8Very low44.9Very low8 Ų876.3 Ų76.34%0.03541%0.406CS..EExtended strand (participates in β ladder)trans-138.7118.5-177.8-71.4-174.2171.1-133.20109.6K160 I161 S173 T175 I177 I195K160-K197 CarbonylContact C-O 3.48Å; K160-K197 WeakPolarHBondContact CA-O 3.28Å; I161-K197 PolarHBondContact N-O 3.4Å; I161-K197 PolarHBondContact O-N 2.96Å; S173-K197 VanDerWaalsContact CB-CD 3.45Å; S173-K197 PolarHBondContact O-NZ 2.8Å; S173-K197 WeakPolarHBondContact OG-CD 3.29Å; T175-K197 WeakPolarHBondContact O-CD 3.31Å; T175-K197 WeakPolarHBondContact O-CE 3.45Å; T175-K197 PolarHBondContact O-NZ 2.73Å; I177-K197 HydrophobicContact CG1-CG 4.48Å; I195-K197 HydrophobicContact CG2-CG 4.3Å
198S40Very low45.7Very low96 Ų9668.9 Ų68.967%0.67137%0.369SS*.  trans-90.50178.463.40000113.3T175T175-S198 WeakPolarHBondContact CB-O 3.41Å; T175-S198 VanDerWaalsContact CG2-O 3.29Å; T175-S198 WeakPolarHBondContact CG2-O 3.38Å; T175-S198 PolarHBondContact OG1-O 2.96Å

Retrieved 198 of 198 residues in 387.1 ms (Link to these results)

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