A0A3Q0KST0_SCHMA Loading...

MRN complex-interacting protein N-terminal domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KST0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 187 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
1M74.6Confident91.3Very high230 Ų23061 Ų61100%1.13333%0.333SS*.  0131.90-71.3179.9161.800108.5
2P83.2Confident91.3Very high115 Ų11569.1 Ų69.175%0.74736%0.362SS*.PPolyproline II helixtrans-65.4136.3-179.826.5-32.7000110.6
3V89.9Confident91.3Very high85 Ų8566.4 Ų66.452%0.51535%0.352SS..PPolyproline II helixtrans-78.1128.2178.9-169.50000109.7F5 H20V3-F5 HydrophobicContact CB-CE2 4.29Å; V3-F5 HydrophobicContact CG1-CE2 4.26Å; V3-H20 VanDerWaalsContact CG1-CD2 3.4Å; V3-H20 WeakPolarHBondContact CG1-CD2 3.38Å; V3-H20 WeakPolarHBondContact CG1-NE2 3.25Å
4Q92.4Very high91.4Very high79 Ų7970.1 Ų70.137%0.36936%0.359SS..PPolyproline II helixtrans-94.2141.1-178.9-69.6-180-35.900111.3R21 E44Q4-R21 HydrophobicContact CB-CB 4.22Å; Q4-R21 WeakPolarHBondContact O-CB 3.29Å; Q4-R21 PolarHBondContact O-N 3.06Å; Q4-E44 PolarHBondContact OE1-OE1 3.17Å
5F95.5Very high91.6Very high42 Ų4267.1 Ų67.118%0.18435%0.345CS..EExtended strand (participates in β ladder)trans-118147.6176.9-66-99.2000110V3 V18 H19 H20 E44 G45 A47 C50V3-F5 HydrophobicContact CB-CE2 4.29Å; V3-F5 HydrophobicContact CG1-CE2 4.26Å; F5-V18 HydrophobicContact CB-CG1 3.88Å; F5-V18 HydrophobicContact CD1-CG1 3.73Å; F5-V18 HydrophobicContact CG-CG1 4.16Å; F5-H19 CarbonylContact C-O 3.59Å; F5-H19 VanDerWaalsContact CA-O 3.26Å; F5-H19 WeakPolarHBondContact CA-O 3.38Å; F5-H20 AromaticContact CD1-CD2 3.64Å; F5-H20 AromaticContact CE1-CD2 3.16Å; F5-H20 WeakPolarHBondContact CE1-CD2 3.4Å; F5-H20 AromaticContact CE1-NE2 3.52Å; F5-H20 AromaticContact CE2-CD2 3.9Å; F5-H20 AromaticContact CE2-NE2 3.93Å; F5-H20 AromaticContact CZ-CD2 3.3Å; F5-H20 WeakPolarHBondContact CZ-CD2 3.37Å; F5-H20 AromaticContact CZ-NE2 3.22Å; F5-H20 WeakPolarHBondContact CZ-NE2 3.34Å; F5-E44 VanDerWaalsContact O-CA 3.29Å; F5-E44 WeakPolarHBondContact O-CA 3.37Å; F5-G45 PolarHBondContact N-O 3.37Å; F5-G45 PolarHBondContact O-N 3.32Å; F5-G45 VanDerWaalsContact O-N 3.15Å; F5-A47 HydrophobicContact CD1-CB 4.33Å; F5-A47 HydrophobicContact CD2-CB 3.84Å; F5-A47 HydrophobicContact CE1-CB 4.1Å; F5-A47 HydrophobicContact CE2-CB 3.63Å; F5-A47 HydrophobicContact CG-CB 4.19Å; F5-A47 HydrophobicContact CZ-CB 3.76Å; F5-C50 HydrophobicContact CB-CB 4.37Å
6W95.4Very high91.8Very high38 Ų3864.2 Ų64.214%0.14433%0.329CS..EExtended strand (participates in β ladder)trans-113.5141.8174.6-69.8-16.1000110.4L8 V18 H19 R21 I22 V41 A43 E44W6-L8 HydrophobicContact CB-CD2 4.26Å; W6-L8 HydrophobicContact CB-CG 4.35Å; W6-V18 WeakPolarHBondContact O-CA 3.27Å; W6-H19 PolarHBondContact N-O 2.92Å; W6-H19 PolarHBondContact O-N 3.16Å; W6-R21 HydrophobicContact CD2-CB 4.42Å; W6-R21 HydrophobicContact CD2-CG 4.29Å; W6-R21 HydrophobicContact CH2-CG 3.98Å; W6-R21 HydrophobicContact CZ2-CB 4.49Å; W6-R21 HydrophobicContact CZ2-CG 3.54Å; W6-I22 WeakPolarHBondContact CZ3-O 3.27Å; W6-V41 HydrophobicContact CB-CG1 4.07Å; W6-V41 HydrophobicContact CD2-CG2 4.1Å; W6-V41 HydrophobicContact CE3-CG2 4.38Å; W6-V41 HydrophobicContact CG-CG1 3.94Å; W6-V41 HydrophobicContact CG-CG2 4.25Å; W6-A43 CarbonylContact C-O 3.59Å; W6-A43 WeakPolarHBondContact CA-O 3.46Å; W6-E44 VanDerWaalsContact NE1-CD 3.28Å; W6-E44 PolarHBondContact NE1-OE1 2.85Å
7V95.7Very high92Very high0 Ų060.6 Ų60.60%031%0.31CS..EExtended strand (participates in β ladder)trans-99.3116.8167.8178.40000108.6F16 Q17 F42 A43 C50 V54 L57V7-F16 HydrophobicContact CG1-CB 4.28Å; V7-F16 HydrophobicContact CG1-CD1 4.28Å; V7-Q17 WeakPolarHBondContact CA-O 3.33Å; V7-F42 HydrophobicContact CB-CB 4.45Å; V7-F42 HydrophobicContact CG1-CB 4.23Å; V7-F42 PolarHBondContact O-N 3.09Å; V7-A43 HydrophobicContact CB-CB 4Å; V7-A43 HydrophobicContact CG2-CB 3.89Å; V7-A43 PolarHBondContact N-O 2.99Å; V7-C50 HydrophobicContact CG2-CB 3.72Å; V7-V54 HydrophobicContact CB-CG2 4.24Å; V7-V54 HydrophobicContact CG1-CG2 3.48Å; V7-V54 VanDerWaalsContact CG1-CG2 3.48Å; V7-V54 HydrophobicContact CG2-CG2 3.82Å; V7-L57 HydrophobicContact CG1-CD1 4.27Å
8L95.1Very high92.3Very high1 Ų159.2 Ų59.21%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-117.8150-177.8-56.3179.6000110.3W6 F16 Q17 H19 W27 V38 K40 V41W6-L8 HydrophobicContact CB-CD2 4.26Å; W6-L8 HydrophobicContact CB-CG 4.35Å; L8-F16 CarbonylContact O-C 3.53Å; L8-F16 VanDerWaalsContact O-CA 3.26Å; L8-F16 WeakPolarHBondContact O-CA 3.36Å; L8-Q17 PolarHBondContact N-O 3.11Å; L8-Q17 PolarHBondContact O-N 3.49Å; L8-H19 HydrophobicContact CD1-CB 4.38Å; L8-W27 HydrophobicContact CB-CH2 3.99Å; L8-W27 HydrophobicContact CB-CZ2 3.52Å; L8-W27 HydrophobicContact CD1-CD2 3.93Å; L8-W27 HydrophobicContact CD1-CG 3.93Å; L8-W27 HydrophobicContact CD1-CZ2 4.25Å; L8-V38 HydrophobicContact CD1-CG2 4.08Å; L8-V38 HydrophobicContact CD2-CG1 3.89Å; L8-K40 WeakPolarHBondContact CD2-O 3.15Å; L8-V41 HydrophobicContact CD2-CG2 4Å
9C94.8Very high92.4Very high23 Ų2357.2 Ų57.216%0.15529%0.294CS..EExtended strand (participates in β ladder)trans-105.1131.2174.6-174.60000110.7F16 W27 Q36 F42C9-F16 HydrophobicContact CB-CD1 3.8Å; C9-F16 HydrophobicContact CB-CE1 3.65Å; C9-F16 HydrophobicContact CB-CZ 4.27Å; C9-W27 WeakPolarHBondContact O-CZ2 3.45Å; C9-Q36 PolarHBondContact O-NE2 2.97Å; C9-F42 HydrophobicContact CB-CD2 4.05Å; C9-F42 HydrophobicContact CB-CE2 3.32Å; C9-F42 HydrophobicContact CB-CZ 3.81Å
10C95.1Very high92.5Very high0 Ų059.6 Ų59.60%030%0.304CS..  trans-68.2132.1172.5179.80000110.6K12 C13 R14 T15 W27 C29 C32 Q36C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.13Å; C10-K12 PolarHBondContact SG-N 3.34Å; C10-K12 VanDerWaalsContact SG-N 3.45Å; C10-C13 VanDerWaalsContact CB-SG 3.5Å; C10-C13 PolarHBondContact SG-N 3.15Å; C10-R14 WeakPolarHBondContact O-CA 3.46Å; C10-R14 PolarHBondContact O-N 2.81Å; C10-T15 PolarHBondContact N-O 2.96Å; C10-W27 HydrophobicContact CB-CH2 4.2Å; C10-C29 HydrophobicContact CB-CB 4.16Å; C10-C32 PolarHBondContact SG-SG 3.46Å; C10-Q36 VanDerWaalsContact CA-OE1 3.24Å; C10-Q36 PolarHBondContact SG-OE1 3.23Å
11S92.4Very high92.5Very high58 Ų5863.5 Ų63.541%0.40632%0.315SS..THydrogen-bonded Turntrans-70-30179.356.80000112.9
12K92.2Very high93.2Very high158 Ų15854.7 Ų54.769%0.68727%0.272SS*.THydrogen-bonded Turntrans-85.3-61.5-177.8-65.5-68.1-171.41760112.4C10 C34C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.13Å; C10-K12 PolarHBondContact SG-N 3.34Å; C10-K12 VanDerWaalsContact SG-N 3.45Å; K12-C34 HydrophobicContact CG-CB 4.19Å
13C91.2Very high93.6Very high34 Ų3459.6 Ų59.623%0.2328%0.281CS..THydrogen-bonded Turntrans-90.8-1.4-17670.50000114.3C10 T15 C32C10-C13 VanDerWaalsContact CB-SG 3.5Å; C10-C13 PolarHBondContact SG-N 3.15Å; C13-T15 PolarHBondContact O-N 3.46Å; C13-T15 PolarHBondContact O-OG1 3.28Å; C13-T15 PolarHBondContact SG-OG1 3.39Å; C13-C32 HydrophobicContact CB-CB 4.08Å
14R92.2Very high93.7Very high119 Ų11958.4 Ų58.445%0.44928%0.277SS..  trans55.815.5-178.8-58.1-63.6-170.7139.23114.9C10C10-R14 WeakPolarHBondContact O-CA 3.46Å; C10-R14 PolarHBondContact O-N 2.81Å
15T94Very high93.6Very high24 Ų2462.9 Ų62.915%0.14730%0.295CS..  trans-80.6133.2176.8-46.10000110.7C10 C13 V31C10-T15 PolarHBondContact N-O 2.96Å; C13-T15 PolarHBondContact O-N 3.46Å; C13-T15 PolarHBondContact O-OG1 3.28Å; C13-T15 PolarHBondContact SG-OG1 3.39Å; T15-V31 HydrophobicContact CG2-CG2 4.05Å
16F95.7Very high93.6Very high21 Ų2164.1 Ų64.19%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-81.7137.6173-62.4-91.7000110.7V7 L8 C9 F42 V54 L57 N58V7-F16 HydrophobicContact CG1-CB 4.28Å; V7-F16 HydrophobicContact CG1-CD1 4.28Å; L8-F16 CarbonylContact O-C 3.53Å; L8-F16 VanDerWaalsContact O-CA 3.26Å; L8-F16 WeakPolarHBondContact O-CA 3.36Å; C9-F16 HydrophobicContact CB-CD1 3.8Å; C9-F16 HydrophobicContact CB-CE1 3.65Å; C9-F16 HydrophobicContact CB-CZ 4.27Å; F16-F42 HydrophobicContact CD1-CD2 4.21Å; F16-F42 HydrophobicContact CD1-CG 4.24Å; F16-F42 AromaticContact CE1-CD1 3.74Å; F16-F42 HydrophobicContact CE1-CD1 3.74Å; F16-F42 AromaticContact CE1-CD2 3.9Å; F16-F42 HydrophobicContact CE1-CD2 3.9Å; F16-F42 AromaticContact CE1-CE1 3.77Å; F16-F42 HydrophobicContact CE1-CE1 3.77Å; F16-F42 AromaticContact CE1-CE2 3.96Å; F16-F42 HydrophobicContact CE1-CE2 3.96Å; F16-F42 AromaticContact CE1-CG 3.8Å; F16-F42 HydrophobicContact CE1-CG 3.8Å; F16-F42 AromaticContact CE1-CZ 3.88Å; F16-F42 HydrophobicContact CE1-CZ 3.88Å; F16-F42 HydrophobicContact CZ-CE1 4.35Å; F16-V54 HydrophobicContact CB-CG1 4.35Å; F16-V54 HydrophobicContact CB-CG2 4.24Å; F16-V54 VanDerWaalsContact O-CG1 3.25Å; F16-V54 WeakPolarHBondContact O-CG1 3.4Å; F16-L57 HydrophobicContact CB-CB 4.27Å; F16-L57 HydrophobicContact CD1-CB 4.18Å; F16-L57 HydrophobicContact CD1-CD1 3.58Å; F16-L57 HydrophobicContact CD1-CG 4.48Å; F16-L57 HydrophobicContact CD2-CB 3.47Å; F16-L57 VanDerWaalsContact CD2-CB 3.47Å; F16-L57 HydrophobicContact CD2-CD1 4.42Å; F16-L57 HydrophobicContact CE1-CB 4.39Å; F16-L57 HydrophobicContact CE1-CD1 3.76Å; F16-L57 HydrophobicContact CE2-CB 3.74Å; F16-L57 HydrophobicContact CG-CB 3.7Å; F16-L57 HydrophobicContact CG-CD1 3.92Å; F16-L57 HydrophobicContact CG-CG 4.46Å; F16-L57 HydrophobicContact CZ-CB 4.19Å; F16-L57 HydrophobicContact CZ-CD1 4.26Å; F16-N58 WeakPolarHBondContact CB-OD1 3.49Å; F16-N58 WeakPolarHBondContact CD2-OD1 3.45Å; F16-N58 PolarHBondContact N-OD1 2.88Å; F16-N58 PolarHBondContact O-ND2 2.94Å
17Q95.4Very high93.6Very high3 Ų362.8 Ų62.81%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-137.7144.2-177-75.7167.269.800111.2V7 L8 W27 C29 I185V7-Q17 WeakPolarHBondContact CA-O 3.33Å; L8-Q17 PolarHBondContact N-O 3.11Å; L8-Q17 PolarHBondContact O-N 3.49Å; Q17-W27 HydrophobicContact CB-CZ3 4.36Å; Q17-C29 PolarHBondContact NE2-SG 3.33Å; Q17-I185 HydrophobicContact CG-CG2 4.43Å
18V96Very high93.6Very high36 Ų3666.5 Ų66.522%0.21832%0.324CS..EExtended strand (participates in β ladder)trans-86.1126.3171.5-172.50000108.9F5 W6 C50 R51 V54F5-V18 HydrophobicContact CB-CG1 3.88Å; F5-V18 HydrophobicContact CD1-CG1 3.73Å; F5-V18 HydrophobicContact CG-CG1 4.16Å; W6-V18 WeakPolarHBondContact O-CA 3.27Å; V18-C50 HydrophobicContact CG1-CB 3.94Å; V18-C50 HydrophobicContact CG2-CB 4.04Å; V18-R51 HydrophobicContact CG2-CG 4.24Å; V18-V54 HydrophobicContact CG2-CB 4.17Å; V18-V54 HydrophobicContact CG2-CG2 3.53Å
19H95.4Very high93.7Very high21 Ų2166.4 Ų66.410%0.09732%0.323CS..EExtended strand (participates in β ladder)trans-121.2150.4171.4-72.1-91000109.6F5 W6 L8 I22 W27F5-H19 CarbonylContact C-O 3.59Å; F5-H19 VanDerWaalsContact CA-O 3.26Å; F5-H19 WeakPolarHBondContact CA-O 3.38Å; W6-H19 PolarHBondContact N-O 2.92Å; W6-H19 PolarHBondContact O-N 3.16Å; L8-H19 HydrophobicContact CD1-CB 4.38Å; H19-I22 HydrophobicContact CB-CD1 4.2Å; H19-W27 AromaticContact CD2-CE3 3.91Å; H19-W27 AromaticContact CE1-CE3 3.44Å; H19-W27 VanDerWaalsContact CE1-CE3 3.44Å; H19-W27 AromaticContact CE1-CZ3 3.96Å; H19-W27 AromaticContact NE2-CE3 3.13Å; H19-W27 AromaticContact NE2-CZ3 3.23Å; H19-W27 WeakPolarHBondContact NE2-CZ3 3.33Å
20H93.9Very high93.6Very high104 Ų10470 Ų7048%0.48134%0.336SS..EExtended strand (participates in β ladder)trans-55.5155.2159.6-105.9172.6000109.5V3 F5 I22V3-H20 VanDerWaalsContact CG1-CD2 3.4Å; V3-H20 WeakPolarHBondContact CG1-CD2 3.38Å; V3-H20 WeakPolarHBondContact CG1-NE2 3.25Å; F5-H20 AromaticContact CD1-CD2 3.64Å; F5-H20 AromaticContact CE1-CD2 3.16Å; F5-H20 WeakPolarHBondContact CE1-CD2 3.4Å; F5-H20 AromaticContact CE1-NE2 3.52Å; F5-H20 AromaticContact CE2-CD2 3.9Å; F5-H20 AromaticContact CE2-NE2 3.93Å; F5-H20 AromaticContact CZ-CD2 3.3Å; F5-H20 WeakPolarHBondContact CZ-CD2 3.37Å; F5-H20 AromaticContact CZ-NE2 3.22Å; F5-H20 WeakPolarHBondContact CZ-NE2 3.34Å; H20-I22 WeakPolarHBondContact O-CG1 3.49Å; H20-I22 PolarHBondContact O-N 3.01Å
21R92.5Very high93.6Very high142 Ų14273.2 Ų73.254%0.53636%0.356SS..  trans-59.3107167.2178.5162-178-157.8-0.4109.2Q4 W6Q4-R21 HydrophobicContact CB-CB 4.22Å; Q4-R21 WeakPolarHBondContact O-CB 3.29Å; Q4-R21 PolarHBondContact O-N 3.06Å; W6-R21 HydrophobicContact CD2-CB 4.42Å; W6-R21 HydrophobicContact CD2-CG 4.29Å; W6-R21 HydrophobicContact CH2-CG 3.98Å; W6-R21 HydrophobicContact CZ2-CB 4.49Å; W6-R21 HydrophobicContact CZ2-CG 3.54Å
22I90.1Very high93.7Very high45 Ų4572.6 Ų72.623%0.23135%0.351CS..  trans-88.9138.4-177.9-56.9162000108.5W6 H19 H20 S24 W27W6-I22 WeakPolarHBondContact CZ3-O 3.27Å; H19-I22 HydrophobicContact CB-CD1 4.2Å; H20-I22 WeakPolarHBondContact O-CG1 3.49Å; H20-I22 PolarHBondContact O-N 3.01Å; I22-S24 WeakPolarHBondContact CG2-O 3.5Å; I22-S24 WeakPolarHBondContact CG2-OG 3.32Å; I22-W27 HydrophobicContact CD1-CB 3.82Å
23K91Very high93.9Very high218 Ų21869.4 Ų69.495%0.94835%0.349SS*.SBendtrans-77.3-35.7173.2-64.9-178.8-178.3179.40112.1
24S91.2Very high94Very high61 Ų6169.8 Ų69.843%0.42735%0.351SS..SBendtrans-69.5148.6169.863.60000111.2I22 T26I22-S24 WeakPolarHBondContact CG2-O 3.5Å; I22-S24 WeakPolarHBondContact CG2-OG 3.32Å; S24-T26 PolarHBondContact O-N 3.14Å; S24-T26 PolarHBondContact OG-O 3.21Å
25K91.3Very high94.2Very high173 Ų17372 Ų7275%0.75236%0.364SS*.SBendtrans-82.415.4175.7-63-177.2179-179.70112.8S37 V38K25-S37 CarbonylContact O-C 3.51Å; K25-S37 WeakPolarHBondContact O-CA 3.26Å; K25-V38 PolarHBondContact O-N 3Å
26T94.8Very high94.2Very high67 Ų6771.7 Ų71.741%0.41136%0.361SS..EExtended strand (participates in β ladder)trans-131142.6-172.955.70000111.4S24 Q36S24-T26 PolarHBondContact O-N 3.14Å; S24-T26 PolarHBondContact OG-O 3.21Å; T26-Q36 CarbonylContact C-O 3.46Å; T26-Q36 WeakPolarHBondContact CA-O 3.38Å
27W95.5Very high94.2Very high11 Ų1173.4 Ų73.44%0.04238%0.375CS..EExtended strand (participates in β ladder)trans-148.1161.7178.866.6-76.2000110.8L8 C9 C10 Q17 H19 I22 C29 Q36 S37L8-W27 HydrophobicContact CB-CH2 3.99Å; L8-W27 HydrophobicContact CB-CZ2 3.52Å; L8-W27 HydrophobicContact CD1-CD2 3.93Å; L8-W27 HydrophobicContact CD1-CG 3.93Å; L8-W27 HydrophobicContact CD1-CZ2 4.25Å; C9-W27 WeakPolarHBondContact O-CZ2 3.45Å; C10-W27 HydrophobicContact CB-CH2 4.2Å; Q17-W27 HydrophobicContact CB-CZ3 4.36Å; H19-W27 AromaticContact CD2-CE3 3.91Å; H19-W27 AromaticContact CE1-CE3 3.44Å; H19-W27 VanDerWaalsContact CE1-CE3 3.44Å; H19-W27 AromaticContact CE1-CZ3 3.96Å; H19-W27 AromaticContact NE2-CE3 3.13Å; H19-W27 AromaticContact NE2-CZ3 3.23Å; H19-W27 WeakPolarHBondContact NE2-CZ3 3.33Å; I22-W27 HydrophobicContact CD1-CB 3.82Å; W27-C29 HydrophobicContact CZ3-CB 4.16Å; W27-Q36 HydrophobicContact CD2-CG 4.01Å; W27-Q36 VanDerWaalsContact CE2-NE2 3.31Å; W27-Q36 HydrophobicContact CG-CG 4.36Å; W27-Q36 VanDerWaalsContact CZ2-CD 3.41Å; W27-Q36 HydrophobicContact CZ2-CG 4.02Å; W27-Q36 PolarHBondContact N-O 2.94Å; W27-Q36 PolarHBondContact O-N 3.26Å; W27-Q36 VanDerWaalsContact O-O 3.07Å; W27-S37 PolarHBondContact NE1-O 3.29Å
28V96.2Very high94.2Very high77 Ų7775 Ų7547%0.46739%0.385SS..EExtended strand (participates in β ladder)trans-112.9128.6177.7-179.80000108.7K30 C34 K35V28-K30 PolarHBondContact O-N 3.15Å; V28-C34 WeakPolarHBondContact CA-O 3.48Å; V28-K35 HydrophobicContact CG2-CB 4.25Å; V28-K35 HydrophobicContact CG2-CG 4.33Å
29C96.2Very high93.9Very high0 Ų079.4 Ų79.40%041%0.407CS..  trans-66.2123.8174173.50000110.1C10 Q17 W27 V31 C32 S33 C34C10-C29 HydrophobicContact CB-CB 4.16Å; Q17-C29 PolarHBondContact NE2-SG 3.33Å; W27-C29 HydrophobicContact CZ3-CB 4.16Å; C29-V31 PolarHBondContact O-N 2.93Å; C29-V31 PolarHBondContact SG-N 3.32Å; C29-V31 VanDerWaalsContact SG-N 3.45Å; C29-C32 PolarHBondContact SG-N 3.07Å; C29-C32 VanDerWaalsContact SG-N 3.4Å; C29-C32 PolarHBondContact SG-SG 3.43Å; C29-S33 WeakPolarHBondContact O-CA 3.38Å; C29-S33 PolarHBondContact O-N 2.99Å; C29-C34 PolarHBondContact N-O 3.42Å
30K94.2Very high93.8Very high98 Ų9881.5 Ų81.543%0.42642%0.416SS..THydrogen-bonded Turntrans-70.6-16.5178.6-64.6178.5175.4-178.20114V28 I180 I185V28-K30 PolarHBondContact O-N 3.15Å; K30-I180 HydrophobicContact CD-CD1 4.23Å; K30-I180 HydrophobicContact CD-CG2 4.43Å; K30-I185 HydrophobicContact CB-CD1 3.82Å; K30-I185 HydrophobicContact CB-CG1 4.25Å; K30-I185 HydrophobicContact CD-CG1 4.45Å
31V93.8Very high93.8Very high67 Ų6778.7 Ų78.741%0.40641%0.406SS..THydrogen-bonded Turntrans-89.2-53-178.3-178.60000111.5T15 C29 I185T15-V31 HydrophobicContact CG2-CG2 4.05Å; C29-V31 PolarHBondContact O-N 2.93Å; C29-V31 PolarHBondContact SG-N 3.32Å; C29-V31 VanDerWaalsContact SG-N 3.45Å; V31-I185 HydrophobicContact CG2-CD1 3.5Å; V31-I185 VanDerWaalsContact CG2-CD1 3.5Å
32C94.5Very high93.9Very high45 Ų4573.6 Ų73.630%0.30439%0.387SS..THydrogen-bonded Turntrans-1093.2-175.172.20000113.6C10 C13 C29 C34C10-C32 PolarHBondContact SG-SG 3.46Å; C13-C32 HydrophobicContact CB-CB 4.08Å; C29-C32 PolarHBondContact SG-N 3.07Å; C29-C32 VanDerWaalsContact SG-N 3.4Å; C29-C32 PolarHBondContact SG-SG 3.43Å; C32-C34 PolarHBondContact O-N 3.35Å; C32-C34 PolarHBondContact O-SG 3.25Å; C32-C34 PolarHBondContact SG-SG 3.14Å
33S96.2Very high94.1Very high92 Ų9271.5 Ų71.564%0.64338%0.377SS*.  trans60.712.1176.9-54.90000115.7C29C29-S33 WeakPolarHBondContact O-CA 3.38Å; C29-S33 PolarHBondContact O-N 2.99Å
34C94.8Very high94.2Very high41 Ų4163.5 Ų63.528%0.27734%0.343SS..  trans-75130.4177.8-58.80000111.2K12 V28 C29 C32K12-C34 HydrophobicContact CG-CB 4.19Å; V28-C34 WeakPolarHBondContact CA-O 3.48Å; C29-C34 PolarHBondContact N-O 3.42Å; C32-C34 PolarHBondContact O-N 3.35Å; C32-C34 PolarHBondContact O-SG 3.25Å; C32-C34 PolarHBondContact SG-SG 3.14Å
35K95.7Very high94.4Very high165 Ų16561.2 Ų61.272%0.71733%0.329SS*.EExtended strand (participates in β ladder)trans-77.9130.3168.5-173177.9-179-179.60109.4V28V28-K35 HydrophobicContact CG2-CB 4.25Å; V28-K35 HydrophobicContact CG2-CG 4.33Å
36Q95Very high94.5Very high18 Ų1856.4 Ų56.48%0.08431%0.311CS..EExtended strand (participates in β ladder)trans-147.8161.1-176.854.3176.289.900111.8C9 C10 T26 W27C9-Q36 PolarHBondContact O-NE2 2.97Å; C10-Q36 VanDerWaalsContact CA-OE1 3.24Å; C10-Q36 PolarHBondContact SG-OE1 3.23Å; T26-Q36 CarbonylContact C-O 3.46Å; T26-Q36 WeakPolarHBondContact CA-O 3.38Å; W27-Q36 HydrophobicContact CD2-CG 4.01Å; W27-Q36 VanDerWaalsContact CE2-NE2 3.31Å; W27-Q36 HydrophobicContact CG-CG 4.36Å; W27-Q36 VanDerWaalsContact CZ2-CD 3.41Å; W27-Q36 HydrophobicContact CZ2-CG 4.02Å; W27-Q36 PolarHBondContact N-O 2.94Å; W27-Q36 PolarHBondContact O-N 3.26Å; W27-Q36 VanDerWaalsContact O-O 3.07Å
37S95.4Very high94.4Very high57 Ų5754.6 Ų54.640%0.39930%0.303SS..EExtended strand (participates in β ladder)trans-80.2157.9171.452.80000111.6K25 W27 L39K25-S37 CarbonylContact O-C 3.51Å; K25-S37 WeakPolarHBondContact O-CA 3.26Å; W27-S37 PolarHBondContact NE1-O 3.29Å; S37-L39 PolarHBondContact O-N 2.85Å
38V94.3Very high94.4Very high36 Ų3659.2 Ų59.222%0.21833%0.325CS..  trans-72.6104.3166.7179.70000107.4L8 K25 V41L8-V38 HydrophobicContact CD1-CG2 4.08Å; L8-V38 HydrophobicContact CD2-CG1 3.89Å; K25-V38 PolarHBondContact O-N 3Å; V38-V41 HydrophobicContact CG1-CG2 4.22Å
39L90.7Very high94.2Very high130 Ų13058 Ų5868%0.68131%0.314SS*.  trans-87.3-50.2178.5-62.2175.4000111.6S37S37-L39 PolarHBondContact O-N 2.85Å
40K91.8Very high94.2Very high65 Ų6558 Ų5828%0.28331%0.314SS..  trans-147.5138.6-178.5-174.1165.5-172.2149.80110.5L8 F42 E125L8-K40 WeakPolarHBondContact CD2-O 3.15Å; K40-F42 HydrophobicContact CB-CE2 4.3Å; K40-E125 VanDerWaalsContact NZ-CD 3.28Å; K40-E125 VanDerWaalsContact NZ-CG 3.29Å; K40-E125 IonicContact NZ-OE1 2.78Å; K40-E125 PolarHBondContact NZ-OE1 3.27Å
41V94.5Very high94.3Very high45 Ų4557.9 Ų57.927%0.27331%0.311SS..EExtended strand (participates in β ladder)trans-95.1117170.8-1780000107.7W6 L8 V38 A43 E44W6-V41 HydrophobicContact CB-CG1 4.07Å; W6-V41 HydrophobicContact CD2-CG2 4.1Å; W6-V41 HydrophobicContact CE3-CG2 4.38Å; W6-V41 HydrophobicContact CG-CG1 3.94Å; W6-V41 HydrophobicContact CG-CG2 4.25Å; L8-V41 HydrophobicContact CD2-CG2 4Å; V38-V41 HydrophobicContact CG1-CG2 4.22Å; V41-A43 WeakPolarHBondContact CG1-O 3.32Å; V41-E44 HydrophobicContact CG1-CB 4.37Å
42F94Very high94.3Very high34 Ų3460.6 Ų60.615%0.14932%0.317CS..EExtended strand (participates in β ladder)trans-84-33.6-177.5-73-93.8000112.3V7 C9 F16 K40 L57 Y128V7-F42 HydrophobicContact CB-CB 4.45Å; V7-F42 HydrophobicContact CG1-CB 4.23Å; V7-F42 PolarHBondContact O-N 3.09Å; C9-F42 HydrophobicContact CB-CD2 4.05Å; C9-F42 HydrophobicContact CB-CE2 3.32Å; C9-F42 HydrophobicContact CB-CZ 3.81Å; F16-F42 HydrophobicContact CD1-CD2 4.21Å; F16-F42 HydrophobicContact CD1-CG 4.24Å; F16-F42 AromaticContact CE1-CD1 3.74Å; F16-F42 HydrophobicContact CE1-CD1 3.74Å; F16-F42 AromaticContact CE1-CD2 3.9Å; F16-F42 HydrophobicContact CE1-CD2 3.9Å; F16-F42 AromaticContact CE1-CE1 3.77Å; F16-F42 HydrophobicContact CE1-CE1 3.77Å; F16-F42 AromaticContact CE1-CE2 3.96Å; F16-F42 HydrophobicContact CE1-CE2 3.96Å; F16-F42 AromaticContact CE1-CG 3.8Å; F16-F42 HydrophobicContact CE1-CG 3.8Å; F16-F42 AromaticContact CE1-CZ 3.88Å; F16-F42 HydrophobicContact CE1-CZ 3.88Å; F16-F42 HydrophobicContact CZ-CE1 4.35Å; K40-F42 HydrophobicContact CB-CE2 4.3Å; F42-L57 HydrophobicContact CB-CD1 4.45Å; F42-Y128 PolarHBondContact O-N 3.1Å
43A94.6Very high94.4Very high1 Ų159.5 Ų59.51%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-150.3147.9173.200000110.4W6 V7 V41 V53 Y128 L130W6-A43 CarbonylContact C-O 3.59Å; W6-A43 WeakPolarHBondContact CA-O 3.46Å; V7-A43 HydrophobicContact CB-CB 4Å; V7-A43 HydrophobicContact CG2-CB 3.89Å; V7-A43 PolarHBondContact N-O 2.99Å; V41-A43 WeakPolarHBondContact CG1-O 3.32Å; A43-V53 HydrophobicContact CB-CG1 4.01Å; A43-V53 HydrophobicContact CB-CG2 4.47Å; A43-Y128 WeakPolarHBondContact CA-O 3.36Å; A43-L130 HydrophobicContact CB-CD1 4.02Å; A43-L130 HydrophobicContact CB-CG 4.47Å
44E94.7Very high94.3Very high50 Ų5055.2 Ų55.223%0.23428%0.279CS..EExtended strand (participates in β ladder)trans-132.1134.3172.9176.2169.8-144.800109.1Q4 F5 W6 V41 L130Q4-E44 PolarHBondContact OE1-OE1 3.17Å; F5-E44 VanDerWaalsContact O-CA 3.29Å; F5-E44 WeakPolarHBondContact O-CA 3.37Å; W6-E44 VanDerWaalsContact NE1-CD 3.28Å; W6-E44 PolarHBondContact NE1-OE1 2.85Å; V41-E44 HydrophobicContact CG1-CB 4.37Å; E44-L130 WeakPolarHBondContact O-CB 3.33Å; E44-L130 PolarHBondContact O-N 2.8Å
45G93.7Very high94.3Very high13 Ų1356.6 Ų56.613%0.13428%0.281CS..EExtended strand (participates in β ladder)trans173-156.4-17800000113.6F5F5-G45 PolarHBondContact N-O 3.37Å; F5-G45 PolarHBondContact O-N 3.32Å; F5-G45 VanDerWaalsContact O-N 3.15Å
46I93.9Very high94.3Very high73 Ų7353.9 Ų53.937%0.37427%0.269SS..  trans-77.3152.7173.258.9168.2000111.1Q48 E49 C50I46-Q48 HydrophobicContact CD1-CB 4.47Å; I46-Q48 PolarHBondContact O-N 3.01Å; I46-Q48 VanDerWaalsContact O-N 3.1Å; I46-E49 HydrophobicContact CD1-CG 3.96Å; I46-E49 HydrophobicContact CG1-CB 4.08Å; I46-E49 HydrophobicContact CG1-CG 3.68Å; I46-E49 PolarHBondContact O-N 3.32Å; I46-E49 VanDerWaalsContact O-N 3.13Å; I46-C50 PolarHBondContact O-N 3.04Å; I46-C50 VanDerWaalsContact O-N 3.08Å; I46-C50 PolarHBondContact O-SG 2.84Å
47A93.4Very high94.2Very high29 Ų2953.7 Ų53.724%0.2427%0.269CS..Hα-helixtrans-53.2-37.9-175.700000113.9F5 R51F5-A47 HydrophobicContact CD1-CB 4.33Å; F5-A47 HydrophobicContact CD2-CB 3.84Å; F5-A47 HydrophobicContact CE1-CB 4.1Å; F5-A47 HydrophobicContact CE2-CB 3.63Å; F5-A47 HydrophobicContact CG-CB 4.19Å; F5-A47 HydrophobicContact CZ-CB 3.76Å; A47-R51 WeakPolarHBondContact O-CB 3.48Å; A47-R51 VanDerWaalsContact O-CG 3.29Å; A47-R51 WeakPolarHBondContact O-CG 3.46Å; A47-R51 PolarHBondContact O-N 3.42Å; A47-R51 PolarHBondContact O-NE 3.18Å
48Q94.1Very high94.1Very high108 Ų10851.7 Ų51.751%0.50525%0.254SS..Hα-helixtrans-65.3-43.9-178.7-173.8-178.3-5.800112.4I46 K52I46-Q48 HydrophobicContact CD1-CB 4.47Å; I46-Q48 PolarHBondContact O-N 3.01Å; I46-Q48 VanDerWaalsContact O-N 3.1Å; Q48-K52 WeakPolarHBondContact O-CG 3.43Å; Q48-K52 PolarHBondContact O-N 3.11Å
49E93.8Very high94Very high50 Ų5057.4 Ų57.423%0.23427%0.271CS..Hα-helixtrans-72.2-42.5179.8-65.2172.2-177.700110.8I46 R51 K52 V53 L130I46-E49 HydrophobicContact CD1-CG 3.96Å; I46-E49 HydrophobicContact CG1-CB 4.08Å; I46-E49 HydrophobicContact CG1-CG 3.68Å; I46-E49 PolarHBondContact O-N 3.32Å; I46-E49 VanDerWaalsContact O-N 3.13Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.45Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E49-V53 WeakPolarHBondContact O-CG2 3.25Å; E49-V53 PolarHBondContact O-N 3Å; E49-L130 HydrophobicContact CB-CD1 3.92Å
50C94.9Very high93.9Very high0 Ų054.3 Ų54.30%025%0.254CS..Hα-helixtrans-58.2-41.9174.7-66.60000112F5 V7 V18 I46 K52 V53 V54F5-C50 HydrophobicContact CB-CB 4.37Å; V7-C50 HydrophobicContact CG2-CB 3.72Å; V18-C50 HydrophobicContact CG1-CB 3.94Å; V18-C50 HydrophobicContact CG2-CB 4.04Å; I46-C50 PolarHBondContact O-N 3.04Å; I46-C50 VanDerWaalsContact O-N 3.08Å; I46-C50 PolarHBondContact O-SG 2.84Å; C50-K52 PolarHBondContact O-N 3.15Å; C50-V53 PolarHBondContact O-N 3.39Å; C50-V54 WeakPolarHBondContact O-CG2 3.36Å; C50-V54 PolarHBondContact O-N 3.43Å
51R95.7Very high93.6Very high96 Ų9652.2 Ų52.236%0.36225%0.251SS..Hα-helixtrans-59.4-44.9174.6-80.2-177.6-69.7163.2-2.9111.9V18 A47 E49 V53 V54 Q55 L187V18-R51 HydrophobicContact CG2-CG 4.24Å; A47-R51 WeakPolarHBondContact O-CB 3.48Å; A47-R51 VanDerWaalsContact O-CG 3.29Å; A47-R51 WeakPolarHBondContact O-CG 3.46Å; A47-R51 PolarHBondContact O-N 3.42Å; A47-R51 PolarHBondContact O-NE 3.18Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.45Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 2.89Å; R51-V54 PolarHBondContact O-N 3.27Å; R51-Q55 WeakPolarHBondContact O-CG 3.23Å; R51-Q55 PolarHBondContact O-N 3.45Å; R51-L187 WeakPolarHBondContact CD-O 3.4Å; R51-L187 PolarHBondContact NH1-O 3.22Å
52K95.7Very high92.7Very high124 Ų12453.7 Ų53.754%0.53926%0.26SS..Hα-helixtrans-60-43.8176-68.8175.6-177.5178.50111.8Q48 E49 C50 Q55 K56Q48-K52 WeakPolarHBondContact O-CG 3.43Å; Q48-K52 PolarHBondContact O-N 3.11Å; E49-K52 WeakPolarHBondContact O-CB 3.45Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-K52 VanDerWaalsContact O-N 3.13Å; C50-K52 PolarHBondContact O-N 3.15Å; K52-Q55 PolarHBondContact O-N 3.15Å; K52-K56 PolarHBondContact O-N 3.46Å
53V95Very high91.6Very high22 Ų2256.5 Ų56.513%0.13328%0.275CS..Hα-helixtrans-63.1-47.6177.4173.70000110.8A43 E49 C50 R51 Q55 K56 L57 L130A43-V53 HydrophobicContact CB-CG1 4.01Å; A43-V53 HydrophobicContact CB-CG2 4.47Å; E49-V53 WeakPolarHBondContact O-CG2 3.25Å; E49-V53 PolarHBondContact O-N 3Å; C50-V53 PolarHBondContact O-N 3.39Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 2.89Å; V53-Q55 PolarHBondContact O-N 3.33Å; V53-K56 PolarHBondContact O-N 2.79Å; V53-K56 VanDerWaalsContact O-N 3.15Å; V53-L57 HydrophobicContact CG1-CD1 3.6Å; V53-L57 HydrophobicContact CG1-CG 4.08Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.29Å; V53-L57 PolarHBondContact O-N 3.49Å; V53-L130 HydrophobicContact CG2-CD1 4.19Å
54V95Very high90.6Very high3 Ų363.9 Ų63.92%0.01830%0.303CS..Hα-helixtrans-58.7-46.3177.21660000111.7V7 F16 V18 C50 R51 K56 L57 N58V7-V54 HydrophobicContact CB-CG2 4.24Å; V7-V54 HydrophobicContact CG1-CG2 3.48Å; V7-V54 VanDerWaalsContact CG1-CG2 3.48Å; V7-V54 HydrophobicContact CG2-CG2 3.82Å; F16-V54 HydrophobicContact CB-CG1 4.35Å; F16-V54 HydrophobicContact CB-CG2 4.24Å; F16-V54 VanDerWaalsContact O-CG1 3.25Å; F16-V54 WeakPolarHBondContact O-CG1 3.4Å; V18-V54 HydrophobicContact CG2-CB 4.17Å; V18-V54 HydrophobicContact CG2-CG2 3.53Å; C50-V54 WeakPolarHBondContact O-CG2 3.36Å; C50-V54 PolarHBondContact O-N 3.43Å; R51-V54 PolarHBondContact O-N 3.27Å; V54-K56 VanDerWaalsContact C-N 3.31Å; V54-K56 PolarHBondContact O-N 2.96Å; V54-L57 PolarHBondContact O-N 3.46Å; V54-N58 WeakPolarHBondContact CG1-ND2 3.09Å; V54-N58 VanDerWaalsContact O-CB 3.32Å; V54-N58 WeakPolarHBondContact O-CB 3.22Å; V54-N58 PolarHBondContact O-N 3.45Å
55Q95.4Very high89.4Confident69 Ų6967.1 Ų67.132%0.32232%0.318SS..Hα-helixtrans-61-39.4176.6-71.6176.42.900112.1R51 K52 V53 R59 Y186R51-Q55 WeakPolarHBondContact O-CG 3.23Å; R51-Q55 PolarHBondContact O-N 3.45Å; K52-Q55 PolarHBondContact O-N 3.15Å; V53-Q55 PolarHBondContact O-N 3.33Å; Q55-R59 WeakPolarHBondContact O-CB 3.38Å; Q55-R59 VanDerWaalsContact O-CG 3.25Å; Q55-R59 WeakPolarHBondContact O-CG 3.44Å; Q55-R59 PolarHBondContact O-N 2.99Å; Q55-R59 VanDerWaalsContact O-N 3.15Å; Q55-R59 PolarHBondContact O-NE 3.2Å; Q55-Y186 HydrophobicContact CG-CD1 4.42Å
56K94.3Very high87.8Confident108 Ų10871.6 Ų71.647%0.4734%0.337SS..Hα-helixtrans-65.7-49.3175.6-176.2179.8177.9-176.20111.2K52 V53 V54 R59 Q60K52-K56 PolarHBondContact O-N 3.46Å; V53-K56 PolarHBondContact O-N 2.79Å; V53-K56 VanDerWaalsContact O-N 3.15Å; V54-K56 VanDerWaalsContact C-N 3.31Å; V54-K56 PolarHBondContact O-N 2.96Å; K56-R59 PolarHBondContact O-N 2.96Å; K56-Q60 WeakPolarHBondContact O-CG 3.3Å; K56-Q60 PolarHBondContact O-N 3.06Å
57L93.5Very high86.2Confident15 Ų1572.3 Ų72.38%0.07934%0.342CS..Hα-helixtrans-66-41.7-177.5-68.6175000112.3V7 F16 F42 V53 V54 Q60 G61V7-L57 HydrophobicContact CG1-CD1 4.27Å; F16-L57 HydrophobicContact CB-CB 4.27Å; F16-L57 HydrophobicContact CD1-CB 4.18Å; F16-L57 HydrophobicContact CD1-CD1 3.58Å; F16-L57 HydrophobicContact CD1-CG 4.48Å; F16-L57 HydrophobicContact CD2-CB 3.47Å; F16-L57 VanDerWaalsContact CD2-CB 3.47Å; F16-L57 HydrophobicContact CD2-CD1 4.42Å; F16-L57 HydrophobicContact CE1-CB 4.39Å; F16-L57 HydrophobicContact CE1-CD1 3.76Å; F16-L57 HydrophobicContact CE2-CB 3.74Å; F16-L57 HydrophobicContact CG-CB 3.7Å; F16-L57 HydrophobicContact CG-CD1 3.92Å; F16-L57 HydrophobicContact CG-CG 4.46Å; F16-L57 HydrophobicContact CZ-CB 4.19Å; F16-L57 HydrophobicContact CZ-CD1 4.26Å; F42-L57 HydrophobicContact CB-CD1 4.45Å; V53-L57 HydrophobicContact CG1-CD1 3.6Å; V53-L57 HydrophobicContact CG1-CG 4.08Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.29Å; V53-L57 PolarHBondContact O-N 3.49Å; V54-L57 PolarHBondContact O-N 3.46Å; L57-Q60 PolarHBondContact O-N 2.94Å; L57-G61 PolarHBondContact O-N 3.34Å
58N94.2Very high84.5Confident14 Ų1476.9 Ų76.98%0.07536%0.361CS..Hα-helixtrans-66.4-40.5176.2-74.4-19.5000111.6F16 V54 Q60 G61 V62F16-N58 WeakPolarHBondContact CB-OD1 3.49Å; F16-N58 WeakPolarHBondContact CD2-OD1 3.45Å; F16-N58 PolarHBondContact N-OD1 2.88Å; F16-N58 PolarHBondContact O-ND2 2.94Å; V54-N58 WeakPolarHBondContact CG1-ND2 3.09Å; V54-N58 VanDerWaalsContact O-CB 3.32Å; V54-N58 WeakPolarHBondContact O-CB 3.22Å; V54-N58 PolarHBondContact O-N 3.45Å; N58-Q60 VanDerWaalsContact C-N 3.33Å; N58-Q60 PolarHBondContact O-N 2.78Å; N58-G61 PolarHBondContact O-N 2.89Å; N58-V62 WeakPolarHBondContact O-CG2 3.34Å; N58-V62 PolarHBondContact O-N 3.08Å
59R91Very high82.6Confident156 Ų15676.7 Ų76.759%0.58936%0.36SS*.Hα-helixtrans-59.1-43.9172.8-80.1-177.3-80.1-149.7-0.3111.9Q55 K56 V62 L63Q55-R59 WeakPolarHBondContact O-CB 3.38Å; Q55-R59 VanDerWaalsContact O-CG 3.25Å; Q55-R59 WeakPolarHBondContact O-CG 3.44Å; Q55-R59 PolarHBondContact O-N 2.99Å; Q55-R59 VanDerWaalsContact O-N 3.15Å; Q55-R59 PolarHBondContact O-NE 3.2Å; K56-R59 PolarHBondContact O-N 2.96Å; R59-V62 PolarHBondContact O-N 3.02Å; R59-L63 WeakPolarHBondContact O-CG 3.29Å; R59-L63 PolarHBondContact O-N 3.13Å; R59-L63 VanDerWaalsContact O-N 3.07Å
60Q88.9Confident80.4Confident66 Ų6681.3 Ų81.331%0.30838%0.382SS..Hα-helixtrans-65.2-37.7174.8-70.7177.4-9.900112.6K56 L57 N58 L63 R64K56-Q60 WeakPolarHBondContact O-CG 3.3Å; K56-Q60 PolarHBondContact O-N 3.06Å; L57-Q60 PolarHBondContact O-N 2.94Å; N58-Q60 VanDerWaalsContact C-N 3.33Å; N58-Q60 PolarHBondContact O-N 2.78Å; Q60-L63 PolarHBondContact O-N 3.37Å; Q60-R64 WeakPolarHBondContact O-CG 3.47Å; Q60-R64 PolarHBondContact O-N 3.01Å
61G85.3Confident78.1Confident21 Ų2190.2 Ų90.222%0.21642%0.417CS..Hα-helixtrans-63.3-42175.900000112.8L57 N58 R64 Q65L57-G61 PolarHBondContact O-N 3.34Å; N58-G61 PolarHBondContact O-N 2.89Å; G61-R64 PolarHBondContact O-N 3.13Å; G61-Q65 WeakPolarHBondContact O-CG 3.38Å; G61-Q65 PolarHBondContact O-N 2.96Å
62V76.7Confident75.4Confident76 Ų7688.5 Ų88.546%0.46143%0.429SS..Hα-helixtrans-61.7-45.8173.11740000110.5N58 R59 R64 Q65 M66N58-V62 WeakPolarHBondContact O-CG2 3.34Å; N58-V62 PolarHBondContact O-N 3.08Å; R59-V62 PolarHBondContact O-N 3.02Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.49Å; V62-Q65 PolarHBondContact O-N 2.86Å; V62-Q65 VanDerWaalsContact O-N 3.14Å; V62-M66 HydrophobicContact CG1-CE 4.22Å; V62-M66 HydrophobicContact CG1-CG 4.38Å; V62-M66 HydrophobicContact CG1-SD 4.22Å; V62-M66 WeakPolarHBondContact O-CG 3.09Å; V62-M66 PolarHBondContact O-N 3.07Å
63L70.3Confident73.4Confident92 Ų9289.8 Ų89.848%0.48244%0.441SS..Hα-helixtrans-57.8-41.8175-69172.7000112R59 Q60 M66 N67R59-L63 WeakPolarHBondContact O-CG 3.29Å; R59-L63 PolarHBondContact O-N 3.13Å; R59-L63 VanDerWaalsContact O-N 3.07Å; Q60-L63 PolarHBondContact O-N 3.37Å; L63-M66 HydrophobicContact CD2-CE 3.64Å; L63-M66 PolarHBondContact O-N 3.17Å; L63-N67 WeakPolarHBondContact O-CB 3.23Å; L63-N67 PolarHBondContact O-N 3.26Å; L63-N67 PolarHBondContact O-ND2 3.01Å
64R74.1Confident71.3Confident156 Ų15695.5 Ų95.559%0.58947%0.47SS*.Hα-helixtrans-63-40.8176.1-70.2173.2-165.6-176.72.5112.1Q60 G61 V62 N67 L68Q60-R64 WeakPolarHBondContact O-CG 3.47Å; Q60-R64 PolarHBondContact O-N 3.01Å; G61-R64 PolarHBondContact O-N 3.13Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.49Å; R64-N67 PolarHBondContact O-N 2.98Å; R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 VanDerWaalsContact O-CG 3.27Å; R64-L68 WeakPolarHBondContact O-CG 3.26Å; R64-L68 PolarHBondContact O-N 3.38Å
65Q68.4Low69Low118 Ų118102 Ų10255%0.55151%0.505SS*.Hα-helixtrans-67.3-37.9176.6-72.2177.9-11.900112.2G61 V62 L68 H69G61-Q65 WeakPolarHBondContact O-CG 3.38Å; G61-Q65 PolarHBondContact O-N 2.96Å; V62-Q65 PolarHBondContact O-N 2.86Å; V62-Q65 VanDerWaalsContact O-N 3.14Å; Q65-L68 PolarHBondContact O-N 3.47Å; Q65-H69 PolarHBondContact O-N 3.45Å
66M61.3Low67Low107 Ų107105.6 Ų105.653%0.52752%0.521SS..Hα-helixtrans-69.4-39.8175.6-65-170.7-51.900112.3V62 L63 L68 H69 E70V62-M66 HydrophobicContact CG1-CE 4.22Å; V62-M66 HydrophobicContact CG1-CG 4.38Å; V62-M66 HydrophobicContact CG1-SD 4.22Å; V62-M66 WeakPolarHBondContact O-CG 3.09Å; V62-M66 PolarHBondContact O-N 3.07Å; L63-M66 HydrophobicContact CD2-CE 3.64Å; L63-M66 PolarHBondContact O-N 3.17Å; M66-L68 VanDerWaalsContact C-N 3.3Å; M66-L68 PolarHBondContact O-N 3.4Å; M66-H69 WeakPolarHBondContact O-CB 3.15Å; M66-H69 PolarHBondContact O-N 3.45Å; M66-H69 VanDerWaalsContact O-N 3.11Å; M66-E70 PolarHBondContact O-N 3.5Å; M66-E70 VanDerWaalsContact O-N 3.15Å
67N59.5Low65.2Low89 Ų89106 Ų10648%0.47654%0.535SS..Hα-helixtrans-66.3-32.6174-81.7-98.3000111.6L63 R64 H69 E70 Y71L63-N67 WeakPolarHBondContact O-CB 3.23Å; L63-N67 PolarHBondContact O-N 3.26Å; L63-N67 PolarHBondContact O-ND2 3.01Å; R64-N67 PolarHBondContact O-N 2.98Å; N67-H69 VanDerWaalsContact C-N 3.33Å; N67-E70 VanDerWaalsContact O-CB 3.27Å; N67-E70 WeakPolarHBondContact O-CB 3.45Å; N67-E70 PolarHBondContact O-N 3Å; N67-Y71 VanDerWaalsContact O-CD2 3.29Å; N67-Y71 WeakPolarHBondContact O-CD2 3.34Å
68L57.6Low62.9Low124 Ų124116.4 Ų116.465%0.64957%0.573SS**Hα-helixtrans-70-30.7171.4-72.6173.1000112.3R64 Q65 M66 E70 Y71R64-L68 WeakPolarHBondContact O-CB 3.47Å; R64-L68 VanDerWaalsContact O-CG 3.27Å; R64-L68 WeakPolarHBondContact O-CG 3.26Å; R64-L68 PolarHBondContact O-N 3.38Å; Q65-L68 PolarHBondContact O-N 3.47Å; M66-L68 VanDerWaalsContact C-N 3.3Å; M66-L68 PolarHBondContact O-N 3.4Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 2.61Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-Y71 VanDerWaalsContact O-N 3.13Å
69H54.6Low60.7Low104 Ų104118.8 Ų118.848%0.48160%0.595SS.*Hα-helixtrans-68.1-27173.7-162.878.1000112.4Q65 M66 N67 Y71 G72Q65-H69 PolarHBondContact O-N 3.45Å; M66-H69 WeakPolarHBondContact O-CB 3.15Å; M66-H69 PolarHBondContact O-N 3.45Å; M66-H69 VanDerWaalsContact O-N 3.11Å; N67-H69 VanDerWaalsContact C-N 3.33Å; H69-Y71 PolarHBondContact O-N 3.08Å; H69-Y71 VanDerWaalsContact O-N 3.16Å; H69-G72 PolarHBondContact O-N 3.1Å
70E47Very low58.6Low147 Ų147117.5 Ų117.569%0.68761%0.607SS**THydrogen-bonded Turntrans-59.6-21.4170.8-158.2177.7142.900112.3M66 N67 L68M66-E70 PolarHBondContact O-N 3.5Å; M66-E70 VanDerWaalsContact O-N 3.15Å; N67-E70 VanDerWaalsContact O-CB 3.27Å; N67-E70 WeakPolarHBondContact O-CB 3.45Å; N67-E70 PolarHBondContact O-N 3Å; L68-E70 VanDerWaalsContact C-N 3.26Å; L68-E70 PolarHBondContact O-N 2.61Å
71Y45.7Very low56.5Low187 Ų187123 Ų12373%0.73363%0.632SS**THydrogen-bonded Turntrans-103.417.2175.5-62.1-82.1000114.6N67 L68 H69N67-Y71 VanDerWaalsContact O-CD2 3.29Å; N67-Y71 WeakPolarHBondContact O-CD2 3.34Å; L68-Y71 PolarHBondContact O-N 3.47Å; L68-Y71 VanDerWaalsContact O-N 3.13Å; H69-Y71 PolarHBondContact O-N 3.08Å; H69-Y71 VanDerWaalsContact O-N 3.16Å
72G40.9Very low54.2Low61 Ų61127.5 Ų127.563%0.62966%0.661SS**THydrogen-bonded Turntrans77.628.9153.100000119.3H69H69-G72 PolarHBondContact O-N 3.1Å
73L52.9Low52.8Low150 Ų150128.8 Ų128.879%0.78567%0.673SS**  trans-124.2101.3175.3-64.1176.2000113.6
74L51Low52Low143 Ų143130.3 Ų130.375%0.74969%0.689SS**SBendtrans80.2109.3156.5-65.3170000121.3
75N46.4Very low50.9Low140 Ų140129 Ų12975%0.74969%0.693SS**  trans5194.5138.6-61.6-34.4000119.8P77N75-P77 WeakPolarHBondContact O-CD 3.49Å
76H52.7Low50.4Low144 Ų144132.2 Ų132.267%0.66771%0.71SS**  trans-62.1124.6165.4-156.2-29.2000111.4R78H76-R78 PolarHBondContact O-N 2.87Å; H76-R78 VanDerWaalsContact O-N 3.14Å
77P56.4Low49.7Very low117 Ų117133.5 Ų133.576%0.7672%0.72SS**  trans-69.5111.5160.7-13.728.9000107.5N75 A79N75-P77 WeakPolarHBondContact O-CD 3.49Å; P77-A79 PolarHBondContact O-N 3.32Å
78R45.9Very low49.3Very low232 Ų232137 Ų13788%0.87574%0.737SS**  trans-37.5113.8176.7-176.6176-70-154.2-2.5112.2H76H76-R78 PolarHBondContact O-N 2.87Å; H76-R78 VanDerWaalsContact O-N 3.14Å
79A48.3Very low48.8Very low65 Ų65136.6 Ų136.654%0.53775%0.745SS.*  trans-67.2138.1158.800000108.6P77 Q81P77-A79 PolarHBondContact O-N 3.32Å; A79-Q81 PolarHBondContact O-N 2.69Å; A79-Q81 VanDerWaalsContact O-N 3.15Å
80P47.2Very low48.2Very low128 Ų128134.9 Ų134.983%0.83176%0.755SS**  trans-63.3116.9173.2-17.730.4000109.3S82P80-S82 PolarHBondContact O-N 2.82Å
81Q43.7Very low48.5Very low181 Ų181137.5 Ų137.585%0.84677%0.765SS**  trans-72111.5170.9-61-167-1.200107.8A79 S83A79-Q81 PolarHBondContact O-N 2.69Å; A79-Q81 VanDerWaalsContact O-N 3.15Å; Q81-S83 PolarHBondContact O-N 2.97Å
82S38.4Very low48.1Very low116 Ų116134.6 Ų134.681%0.81177%0.767SS**  trans-7896.7162.954.60000107.7P80P80-S82 PolarHBondContact O-N 2.82Å
83S46.7Very low48.6Very low103 Ų103139.8 Ų139.872%0.7278%0.776SS**PPolyproline II helixtrans-67.6128.5174.4-41.40000110.3Q81Q81-S83 PolarHBondContact O-N 2.97Å
84P53.4Low48.2Very low125 Ų125137.9 Ų137.981%0.81277%0.773SS**PPolyproline II helixtrans-77.9126.8163.5-4.322.4000109.2
85N51.5Low47.8Very low127 Ų127134.8 Ų134.868%0.67977%0.768SS**PPolyproline II helixtrans-60.5133.1173.5-173.6-20.7000111.3
86M56.9Low47.9Very low186 Ų186137.3 Ų137.392%0.91677%0.772SS**  trans-142.5129.8154.5-76.6-61.4170.300109.8
87D46.5Very low47.4Very low134 Ų134137.3 Ų137.372%0.71778%0.777SS**  trans-66.5165.7-174.1-89-56.4000117.2
88L50.8Low47Very low162 Ų162136.1 Ų136.185%0.84877%0.772SS**  trans73.4142.1154.8-9969.2000117.3
89S48.2Very low47.2Very low116 Ų116132.6 Ų132.681%0.81177%0.77SS**  cis-168.3130.211.3177.30000105.5
90G42.1Very low46.9Very low68 Ų68134 Ų13470%0.70178%0.776SS**  124.613295.400000113.8
91K52.3Low46.7Very low203 Ų203136 Ų13688%0.88377%0.771SS**  trans86.790.2152.3-63177.4176.2176.60121.7
92T38.9Very low47.1Very low126 Ų126132.9 Ų132.977%0.77376%0.761SS**  55.299.2109.1-42.40000120.5
93M50.7Low47.2Very low169 Ų169135 Ų13583%0.83376%0.758SS**  95.4165.999.9-68.1-73.6-10300114.9
94P44.2Very low47.6Very low110 Ų110136.6 Ų136.671%0.71476%0.757SS**  -131.7-168.3-100.431-4.5000113.1
95A42.4Very low46.8Very low79 Ų79136.9 Ų136.965%0.65376%0.756SS**  trans127.7117142.800000118.2
96K48Very low46.3Very low192 Ų192136.3 Ų136.384%0.83576%0.763SS**  trans85.8141.7130-68.5170.9-172.81800122.1
97N42.4Very low45.6Very low144 Ų144131.1 Ų131.177%0.7775%0.749SS**  trans81.3118.2158.4-77.222.4000116.2
98S48Very low46Very low93 Ų93133.5 Ų133.565%0.6576%0.756SS**  cis116.6145.532.157.70000108.4
99L49.9Very low45.5Very low157 Ų157133.3 Ų133.382%0.82276%0.755SS**  trans93.495.5160.7-136.359.7000114.9
100S42.9Very low45.9Very low96 Ų96135 Ų13567%0.67175%0.754SS**  66.3145.589.689.20000113.1
101K43.1Very low45.7Very low168 Ų168139 Ų13973%0.7376%0.759SS**  cis-177.316311.1-142.8-175.4157.3-167.50106.3
102D51.6Low45.5Very low117 Ų117134.8 Ų134.863%0.62675%0.751SS**  trans73.3142.3155.8-49.3-32.1000115.4
103E41.1Very low45.5Very low161 Ų161135 Ų13575%0.75275%0.752SS**  cis-175.2162.629.2-136.6179102.900110.1
104I53.9Low44.9Very low135 Ų135133.8 Ų133.869%0.69275%0.749SS**  trans80.891.6151.2-59.1157000120.4
105T38.3Very low44.6Very low131 Ų131132.7 Ų132.780%0.80474%0.744SS**  15.9123.5115.9-45.90000120
106S39.5Very low44.9Very low116 Ų116137 Ų13781%0.81176%0.756SS**  -161.4128.2128.8-164.70000111.2
107A43.7Very low44.4Very low76 Ų76136 Ų13663%0.62875%0.754SS**  trans-74.1151.8176.800000111.6
108Q54.1Low44.1Very low185 Ų185134.4 Ų134.486%0.86475%0.753SS**  trans-163.2110142.2-106.9163.429.500109.6
109D40.1Very low43.8Very low157 Ų157136.4 Ų136.484%0.8476%0.755SS**  trans-59.7135.6165.5-60.6-74.6000110.3
110I56.4Low43.1Very low152 Ų152135.5 Ų135.578%0.77976%0.757SS**  trans-128.193.7164.5-54.7173.1000106.5
111D37.4Very low43Very low152 Ų152135.6 Ų135.681%0.81375%0.753SS**  trans-87116.2163.9-149.95000106.7
112T48.8Very low42.6Very low114 Ų114136.2 Ų136.270%0.69976%0.758SS**  trans-148.989.9167.4-53.90000108.5D114T112-D114 PolarHBondContact O-N 3.26Å
113T38.7Very low42.2Very low130 Ų130133.9 Ų133.980%0.79875%0.752SS**  trans-54.5115.6148.242.50000109.7
114D38.1Very low42.4Very low144 Ų144134.5 Ų134.577%0.7776%0.755SS**  trans-166.2152.9140-141.4-20.8000111.6T112T112-D114 PolarHBondContact O-N 3.26Å
115S38.5Very low41.6Very low87 Ų87134.9 Ų134.961%0.60875%0.753SS**  trans64.494.2156.163.50000117.8
116N47.9Very low41.9Very low169 Ų169132.3 Ų132.390%0.90473%0.734SS**  trans-137.876.2138-83.4-57000108.5C118N116-C118 PolarHBondContact O-N 3.12Å; N116-C118 VanDerWaalsContact O-N 3.17Å
117E38.4Very low42.6Very low173 Ų173130.3 Ų130.381%0.80872%0.72SS**  trans-52.7111.9161.3-171.1178.8113.900108.5L119E117-L119 PolarHBondContact O-N 3.16Å
118C36.5Very low42.9Very low109 Ų109130.3 Ų130.374%0.73670%0.704SS**  trans-73.695.8178.4-1760000108N116 T120N116-C118 PolarHBondContact O-N 3.12Å; N116-C118 VanDerWaalsContact O-N 3.17Å; C118-T120 PolarHBondContact O-N 3.19Å; C118-T120 VanDerWaalsContact O-N 3.09Å
119L40.2Very low42.9Very low135 Ų135129.6 Ų129.671%0.70769%0.694SS**  trans-48.8118.4171.9-109.9103.7000110E117 V121E117-L119 PolarHBondContact O-N 3.16Å; L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 PolarHBondContact O-N 3.45Å
120T36.4Very low43.8Very low139 Ų139124.4 Ų124.485%0.85367%0.665SS**  trans-69.783.9177.9-390000109C118 E122C118-T120 PolarHBondContact O-N 3.19Å; C118-T120 VanDerWaalsContact O-N 3.09Å; T120-E122 PolarHBondContact O-N 3.34Å
121V40.5Very low43.2Very low98 Ų98124.8 Ų124.859%0.59466%0.658SS**  trans-69.7100.5172.8-179.80000108.5L119 S123L119-V121 VanDerWaalsContact C-N 3.29Å; L119-V121 PolarHBondContact O-N 3.45Å; V121-S123 PolarHBondContact O-N 3.15Å; V121-S123 PolarHBondContact O-OG 2.82Å
122E34Very low43.8Very low180 Ų180122.4 Ų122.484%0.84165%0.651SS**  trans-53.3104.6173-168.1165.5-161.800109.4T120 Q124T120-E122 PolarHBondContact O-N 3.34Å; E122-Q124 PolarHBondContact O-N 3.2Å
123S43.3Very low43.2Very low69 Ų69125.2 Ų125.248%0.48365%0.65SS.*  trans-83.3101.5-177.1-64.60000108.3V121 E125V121-S123 PolarHBondContact O-N 3.15Å; V121-S123 PolarHBondContact O-OG 2.82Å; S123-E125 PolarHBondContact O-N 2.83Å
124Q45.3Very low43.2Very low174 Ų174124 Ų12481%0.81365%0.647SS**  trans-42.4124.7173.4-73177.8-20.300110.9E122 I126E122-Q124 PolarHBondContact O-N 3.2Å; Q124-I126 PolarHBondContact O-N 3.43Å; Q124-I126 VanDerWaalsContact O-N 3.11Å
125E38.5Very low43.2Very low143 Ų143125 Ų12567%0.66864%0.644SS**  trans-69.8104-176172.7149.5-118.700110.7K40 S123K40-E125 VanDerWaalsContact NZ-CD 3.28Å; K40-E125 VanDerWaalsContact NZ-CG 3.29Å; K40-E125 IonicContact NZ-OE1 2.78Å; K40-E125 PolarHBondContact NZ-OE1 3.27Å; S123-E125 PolarHBondContact O-N 2.83Å
126I44.5Very low43Very low76 Ų76126 Ų12639%0.3965%0.649SS.*  trans-113.190.7161-42.8175000107.6Q124 Y128Q124-I126 PolarHBondContact O-N 3.43Å; Q124-I126 VanDerWaalsContact O-N 3.11Å; I126-Y128 HydrophobicContact CB-CE2 3.95Å; I126-Y128 HydrophobicContact CG2-CD1 4.29Å; I126-Y128 HydrophobicContact CG2-CD2 3.81Å; I126-Y128 HydrophobicContact CG2-CE1 3.78Å; I126-Y128 HydrophobicContact CG2-CE2 3.23Å; I126-Y128 HydrophobicContact CG2-CG 4.31Å; I126-Y128 WeakPolarHBondContact CG2-OH 3.46Å
127S53.1Low42.4Very low75 Ų75124.2 Ų124.252%0.52465%0.65SS.*  trans-85.5102.8170.3169.10000108
128Y50Low42.5Very low75 Ų75118.8 Ų118.829%0.29464%0.64SS.*EExtended strand (participates in β ladder)trans-89103.1170.9-61.4-84.2000108.8F42 A43 I126 L130F42-Y128 PolarHBondContact O-N 3.1Å; A43-Y128 WeakPolarHBondContact CA-O 3.36Å; I126-Y128 HydrophobicContact CB-CE2 3.95Å; I126-Y128 HydrophobicContact CG2-CD1 4.29Å; I126-Y128 HydrophobicContact CG2-CD2 3.81Å; I126-Y128 HydrophobicContact CG2-CE1 3.78Å; I126-Y128 HydrophobicContact CG2-CE2 3.23Å; I126-Y128 HydrophobicContact CG2-CG 4.31Å; I126-Y128 WeakPolarHBondContact CG2-OH 3.46Å; Y128-L130 PolarHBondContact O-N 3.47Å
129R54.1Low42.7Very low171 Ų171119.1 Ų119.165%0.64564%0.643SS**EExtended strand (participates in β ladder)trans-80.4102.8156.5-82.5-153.1168.9169.40.6108.5Y131R129-Y131 HydrophobicContact CB-CD2 3.94Å; R129-Y131 HydrophobicContact CB-CE2 3.49Å; R129-Y131 VanDerWaalsContact CB-CE2 3.49Å; R129-Y131 VanDerWaalsContact CD-OH 3.3Å; R129-Y131 WeakPolarHBondContact CD-OH 3.37Å; R129-Y131 HydrophobicContact CG-CE2 4.32Å; R129-Y131 PolarHBondContact NH1-OH 2.85Å; R129-Y131 VanDerWaalsContact NH1-OH 3.12Å; R129-Y131 PolarHBondContact O-N 2.97Å; R129-Y131 VanDerWaalsContact O-N 3.16Å
130L60.2Low43.1Very low47 Ų47122 Ų12225%0.24665%0.653CS.*  trans-80.296.2173.9-53.5168.3000106.8A43 E44 E49 V53 Y128A43-L130 HydrophobicContact CB-CD1 4.02Å; A43-L130 HydrophobicContact CB-CG 4.47Å; E44-L130 WeakPolarHBondContact O-CB 3.33Å; E44-L130 PolarHBondContact O-N 2.8Å; E49-L130 HydrophobicContact CB-CD1 3.92Å; V53-L130 HydrophobicContact CG2-CD1 4.19Å; Y128-L130 PolarHBondContact O-N 3.47Å
131Y43.5Very low43.1Very low161 Ų161120.8 Ų120.863%0.63165%0.646SS**  trans-77.9138.6174.6-76.6-83.2000110R129 Y133R129-Y131 HydrophobicContact CB-CD2 3.94Å; R129-Y131 HydrophobicContact CB-CE2 3.49Å; R129-Y131 VanDerWaalsContact CB-CE2 3.49Å; R129-Y131 VanDerWaalsContact CD-OH 3.3Å; R129-Y131 WeakPolarHBondContact CD-OH 3.37Å; R129-Y131 HydrophobicContact CG-CE2 4.32Å; R129-Y131 PolarHBondContact NH1-OH 2.85Å; R129-Y131 VanDerWaalsContact NH1-OH 3.12Å; R129-Y131 PolarHBondContact O-N 2.97Å; R129-Y131 VanDerWaalsContact O-N 3.16Å; Y131-Y133 PolarHBondContact O-N 2.87Å
132P49.4Very low43.5Very low101 Ų101125.5 Ų125.566%0.65666%0.658SS**  trans-69128.3-172.927.3-32.5000110.9S134P132-S134 PolarHBondContact O-N 2.87Å
133Y35.7Very low44Very low173 Ų173125.3 Ų125.368%0.67866%0.659SS**  trans-15.8105.1155.9-163.9-114.7000115.1Y131 K135Y131-Y133 PolarHBondContact O-N 2.87Å; Y133-K135 HydrophobicContact CD1-CG 3.84Å; Y133-K135 HydrophobicContact CE1-CB 4.45Å; Y133-K135 HydrophobicContact CE1-CD 3.76Å; Y133-K135 HydrophobicContact CE1-CG 3.1Å; Y133-K135 HydrophobicContact CE2-CG 4.43Å; Y133-K135 VanDerWaalsContact CZ-CG 3.43Å; Y133-K135 VanDerWaalsContact OH-CE 3.23Å; Y133-K135 WeakPolarHBondContact OH-CE 3.22Å; Y133-K135 WeakPolarHBondContact OH-CG 2.99Å
134S39Very low43.8Very low104 Ų104129.4 Ų129.473%0.72768%0.676SS**  trans-94.8118153.8-58.50000106.4P132 P136P132-S134 PolarHBondContact O-N 2.87Å; S134-P136 WeakPolarHBondContact O-CD 3.04Å
135K38.9Very low43.7Very low165 Ų165127.4 Ų127.472%0.71768%0.676SS**  trans-77.1120.7161.8-65-169.5-174.4-173.90107.6Y133Y133-K135 HydrophobicContact CD1-CG 3.84Å; Y133-K135 HydrophobicContact CE1-CB 4.45Å; Y133-K135 HydrophobicContact CE1-CD 3.76Å; Y133-K135 HydrophobicContact CE1-CG 3.1Å; Y133-K135 HydrophobicContact CE2-CG 4.43Å; Y133-K135 VanDerWaalsContact CZ-CG 3.43Å; Y133-K135 VanDerWaalsContact OH-CE 3.23Å; Y133-K135 WeakPolarHBondContact OH-CE 3.22Å; Y133-K135 WeakPolarHBondContact OH-CG 2.99Å
136P33.5Very low44Very low110 Ų110125.9 Ų125.971%0.71468%0.681SS**  trans-116152.3148.436.4-29.1000109.8S134S134-P136 WeakPolarHBondContact O-CD 3.04Å
137S35.8Very low43.8Very low131 Ų131129.5 Ų129.592%0.91670%0.701SS**  trans82.6134.2171.8-159.50000115.4
138G40.4Very low43.4Very low58 Ų58130.6 Ų130.660%0.59871%0.707SS**  cis-158.1141.419.300000112.9Q140G138-Q140 PolarHBondContact O-N 3.35Å
139S40.8Very low43.1Very low116 Ų116136 Ų13681%0.81173%0.731SS**  trans-55.7121.3155.7-169.40000108.7
140Q48.1Very low42.6Very low195 Ų195134.3 Ų134.391%0.91174%0.735SS**  trans-98.796.3165-71.6-164.648.900108.5G138G138-Q140 PolarHBondContact O-N 3.35Å
141T36.2Very low41.8Very low114 Ų114139.4 Ų139.470%0.69976%0.761SS**  trans-85.7123.9152.4-53.20000107.1
142K48.4Very low41.8Very low198 Ų198139.1 Ų139.186%0.86177%0.77SS**  trans-172.398147.4-102164.3-166.6-171.50111.2
143M44.8Very low41.6Very low175 Ų175140.8 Ų140.886%0.86278%0.778SS**  trans27.2130.3139.9-52.1-157.5-71.200121
144N40.2Very low41.7Very low156 Ų156138 Ų13883%0.83478%0.781SS**  trans-50.7153.1162.6-60.8-33.8000113.2
145T43.6Very low42.1Very low132 Ų132140.9 Ų140.981%0.8179%0.788SS**  179.5139.1115.1-68.10000111.1
146S43.7Very low42.3Very low110 Ų110137.8 Ų137.877%0.76979%0.787SS**  trans67.4105.8158.961.20000121.6
147N41.3Very low43.1Very low152 Ų152140.6 Ų140.681%0.81379%0.794SS**  trans-63.5-171147.3-134.3-8.1000110.9
148P43.7Very low43.5Very low99 Ų99140.1 Ų140.164%0.64379%0.786SS**  cis-129.6174.9-36.723.7-2.2000111.4
149K44.5Very low43.7Very low187 Ų187142.9 Ų142.981%0.81380%0.796SS**  trans-177.1110.2141.8-99.9158.7-173.2-1760111.3
150D43.4Very low43.9Very low136 Ų136141.7 Ų141.773%0.72779%0.788SS**  trans51.3121.7132.8-46.5-35.8000120
151I43.7Very low43.7Very low155 Ų155140.9 Ų140.980%0.79578%0.784SS**  161.9107.5115-77.1156.4000110.5
152L43.2Very low43.9Very low154 Ų154141.4 Ų141.481%0.80679%0.787SS**  trans39.9106.1141.5-75.2122.9000122.8
153V43.8Very low43.9Very low137 Ų137136.3 Ų136.383%0.8378%0.777SS**  45.4142.1111.5-174.80000121
154P39.5Very low43.7Very low114 Ų114134.1 Ų134.174%0.7478%0.775SS**  trans-108.3164.4-151.640.2-28.7000115.6
155N46.2Very low43.7Very low164 Ų164136.2 Ų136.288%0.87778%0.777SS**  trans-108.6137.2171.1-96.1-14.1000113.1
156S44Very low43.9Very low100 Ų100138 Ų13870%0.69978%0.781SS**  trans-60.3156.9172.8370000114.4
157I49.5Very low44.6Very low169 Ų169138.3 Ų138.387%0.86778%0.781SS**  trans-164.6126.8133.4-88.9143.4000108.5
158V44.7Very low44.7Very low121 Ų121136.7 Ų136.773%0.73378%0.778SS**  trans-81141.2174.7160.20000109.8
159S44.2Very low44.4Very low116 Ų116139.7 Ų139.781%0.81179%0.789SS**  trans-165.198.9149.2-81.70000112.5
160S45.9Very low44.6Very low91 Ų91139.8 Ų139.864%0.63679%0.789SS**  trans19.2124.9136.2-41.50000122.4
161Q44Very low44.8Very low179 Ų179138.5 Ų138.584%0.83679%0.791SS**  54.2127.7127.4-52.9178.947.100117.9
162T39.3Very low44.4Very low125 Ų125138.9 Ų138.977%0.76779%0.794SS**  -177.9133.676-52.80000111.3
163S48.8Very low44.5Very low91 Ų91138 Ų13864%0.63680%0.796SS**  trans32.7137.4153.1-51.90000125.1
164P40.2Very low44.1Very low128 Ų128139.4 Ų139.483%0.83180%0.799SS**  trans-93.9142.6166.135.8-27.9000112.5
165F41.4Very low44Very low200 Ų200139.2 Ų139.288%0.87780%0.8SS**  trans-120.4118.9171-86.7-84.7000111.1
166L45.9Very low44.1Very low169 Ų169136.3 Ų136.389%0.88579%0.793SS**  trans-83.7149.3161.2-78.7157.6000109.6
167P58.4Low44.5Very low118 Ų118140.6 Ų140.677%0.76680%0.802SS**  trans-114.4163.815429.4-13.5000112.8
168P45.3Very low45.1Very low117 Ų117141.4 Ų141.476%0.7680%0.799SS**  trans-102.8162.6-145.538-33.5000115.8
169D35.5Very low45.5Very low162 Ų162145.5 Ų145.587%0.86681%0.807SS**  trans-52.3128.8165.6-85.5-47.6000113.2
170K50.3Low46.4Very low189 Ų189143.6 Ų143.682%0.82279%0.787SS**  trans-147113.1151.2-71.2-164179.7173.70112.9
171S46Very low46.7Very low109 Ų109141.7 Ų141.776%0.76277%0.773SS**  trans58.6116.3135.462.20000121.1
172N35.4Very low47Very low163 Ų163141 Ų14187%0.87277%0.768SS**  trans-38.1127.7158.7-64.9-46.7000115
173T45.2Very low47.3Very low137 Ų137144.5 Ų144.584%0.8477%0.767SS**  trans-144.6135.2136.935.40000109.9
174D36.5Very low48Very low166 Ų166143.8 Ų143.889%0.88876%0.756SS**  trans-66.4160.3-174.3-168.611.1000112.7
175S38.3Very low49.2Very low110 Ų110138.8 Ų138.877%0.76972%0.722SS**  trans81.671179.1-154.10000117.1
176S47.2Very low49.7Very low103 Ų103133.9 Ų133.972%0.7270%0.699SS**  trans-109.495.5167.6-71.20000111.1K178S176-K178 PolarHBondContact O-N 2.98Å
177Q53.2Low49.5Very low190 Ų190133.8 Ų133.889%0.88870%0.698SS**  trans-60.394.3150.9-87.5-178.3-34.200107F179Q177-F179 PolarHBondContact O-N 3.4Å
178K60.7Low49.1Very low186 Ų186134.6 Ų134.681%0.80970%0.695SS**  trans-61.8103.1175.5-82-176.1176.1-177.10108.5S176 I180S176-K178 PolarHBondContact O-N 2.98Å; K178-I180 VanDerWaalsContact C-N 3.34Å; K178-I180 PolarHBondContact O-N 2.97Å
179F53.4Low49.3Very low206 Ų206135.5 Ų135.590%0.90469%0.691SS**  trans-63.897.9165.5-126.2-94.7000107Q177 S181Q177-F179 PolarHBondContact O-N 3.4Å; F179-S181 PolarHBondContact O-N 2.9Å
180I63.7Low50.1Low77 Ų77134 Ų13440%0.39568%0.681SS.*  trans-69.4115.7172.1-67.8176.1000105.7K30 K178 D184K30-I180 HydrophobicContact CD-CD1 4.23Å; K30-I180 HydrophobicContact CD-CG2 4.43Å; K178-I180 VanDerWaalsContact C-N 3.34Å; K178-I180 PolarHBondContact O-N 2.97Å; I180-D184 HydrophobicContact CG2-CB 3.54Å
181S52.7Low50Low50 Ų50130.8 Ų130.835%0.3567%0.673SS.*  trans-68.1155178.974.90000109.9F179 W183 D184F179-S181 PolarHBondContact O-N 2.9Å; S181-W183 PolarHBondContact O-N 3.4Å; S181-D184 WeakPolarHBondContact CB-OD2 3.16Å; S181-D184 PolarHBondContact N-OD2 2.92Å; S181-D184 WeakPolarHBondContact O-CB 3.3Å; S181-D184 PolarHBondContact O-N 2.85Å; S181-D184 VanDerWaalsContact OG-CG 3.26Å; S181-D184 PolarHBondContact OG-OD2 2.93Å
182K50.3Low50.3Low166 Ų166132.1 Ų132.172%0.72267%0.668SS**THydrogen-bonded Turntrans-53.5-22.7178.8-175.5173.3177.2177.40113.3
183W46.1Very low51.3Low197 Ų197130.1 Ų130.175%0.74665%0.654SS**THydrogen-bonded Turntrans-83.6-27.1179.9-56.3112.3000113.5S181 I185 Y186S181-W183 PolarHBondContact O-N 3.4Å; W183-I185 PolarHBondContact O-N 3.26Å; W183-I185 VanDerWaalsContact O-N 3.1Å; W183-Y186 PolarHBondContact O-N 3.29Å; W183-Y186 VanDerWaalsContact O-N 3.08Å
184D63.1Low51.7Low76 Ų76129.6 Ų129.641%0.40664%0.641SS.*THydrogen-bonded Turntrans-69.2-8.4179.4-65.4-47.5000113.2I180 S181 Y186I180-D184 HydrophobicContact CG2-CB 3.54Å; S181-D184 WeakPolarHBondContact CB-OD2 3.16Å; S181-D184 PolarHBondContact N-OD2 2.92Å; S181-D184 WeakPolarHBondContact O-CB 3.3Å; S181-D184 PolarHBondContact O-N 2.85Å; S181-D184 VanDerWaalsContact OG-CG 3.26Å; S181-D184 PolarHBondContact OG-OD2 2.93Å; D184-Y186 PolarHBondContact O-N 2.88Å
185I63.9Low52.9Low24 Ų24126.8 Ų126.812%0.12362%0.622CS.*THydrogen-bonded Turntrans-75.6-15.3174.5-61.5177.1000111Q17 K30 V31 W183Q17-I185 HydrophobicContact CG-CG2 4.43Å; K30-I185 HydrophobicContact CB-CD1 3.82Å; K30-I185 HydrophobicContact CB-CG1 4.25Å; K30-I185 HydrophobicContact CD-CG1 4.45Å; V31-I185 HydrophobicContact CG2-CD1 3.5Å; V31-I185 VanDerWaalsContact CG2-CD1 3.5Å; W183-I185 PolarHBondContact O-N 3.26Å; W183-I185 VanDerWaalsContact O-N 3.1Å
186Y51.9Low54.1Low96 Ų96128.2 Ų128.238%0.37661%0.609SS.*  trans-113.2-7.2-172-65.4-76.3000115.6Q55 W183 D184Q55-Y186 HydrophobicContact CG-CD1 4.42Å; W183-Y186 PolarHBondContact O-N 3.29Å; W183-Y186 VanDerWaalsContact O-N 3.08Å; D184-Y186 PolarHBondContact O-N 2.88Å
187L43.2Very low54.7Low167 Ų167130.5 Ų130.587%0.87460%0.599SS**  trans-101.40174.6-69.9170.6000110.9R51R51-L187 WeakPolarHBondContact CD-O 3.4Å; R51-L187 PolarHBondContact NH1-O 3.22Å

Retrieved 187 of 187 residues in 282.1 ms (Link to these results)

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