A0A077Z7W0_TRITR Loading...

DUF7083 domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z7W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M36.7Very low51.5Low234 Ų234115.7 Ų115.7100%1.15365%0.648SS**  098.30-72.4-141.2179.200105.7A3M1-A3 PolarHBondContact O-N 3.13Å
2D39.4Very low52.5Low148 Ų148116.9 Ų116.979%0.79164%0.644SS**  trans-81.591.8-166.9-60.3-31.9000109.8H4D2-H4 PolarHBondContact O-N 3.23Å; D2-H4 VanDerWaalsContact O-N 3.09Å
3A51.6Low53.9Low84 Ų84119.5 Ų119.569%0.69464%0.64SS**THydrogen-bonded Turntrans-68.8-1.1-174.700000114.8M1M1-A3 PolarHBondContact O-N 3.13Å
4H50.2Low55.5Low126 Ų126114.2 Ų114.258%0.58361%0.612SS**THydrogen-bonded Turntrans-106.26.3-175.9-60.2-84.7000113.9D2 D35 K51D2-H4 PolarHBondContact O-N 3.23Å; D2-H4 VanDerWaalsContact O-N 3.09Å; H4-D35 IonicContact CG-OD1 3.94Å; H4-D35 IonicContact ND1-OD1 2.98Å; H4-D35 PolarHBondContact ND1-OD1 2.89Å; H4-K51 PolarHBondContact O-NZ 3.39Å
5A49.7Very low56.6Low64 Ų64111.5 Ų111.553%0.52960%0.603SS.*SBendtrans-79-19-175.400000114.5
6T51.9Low58.2Low132 Ų132113.9 Ų113.981%0.8162%0.616SS**THydrogen-bonded Turntrans-90.2-8.5-157-34.90000116.3
7S58Low59.4Low96 Ų96113.9 Ų113.967%0.67162%0.615SS**THydrogen-bonded Turntrans-105.215.6-164.7-1650000116.7
8V54.1Low59.9Low53 Ų53112.2 Ų112.232%0.32161%0.613SS.*  trans-99.194.3172-173.70000108.5F28 K51V8-F28 HydrophobicContact CB-CE1 4.11Å; V8-F28 HydrophobicContact CG1-CD1 4.21Å; V8-F28 HydrophobicContact CG1-CE1 3.74Å; V8-F28 HydrophobicContact CG1-CE2 4.42Å; V8-F28 HydrophobicContact CG1-CZ 3.83Å; V8-F28 HydrophobicContact CG2-CD1 4.3Å; V8-F28 HydrophobicContact CG2-CE1 4.27Å; V8-K51 HydrophobicContact CG2-CD 4.1Å
9M57.7Low60.4Low125 Ų125109.9 Ų109.962%0.61660%0.6SS**PPolyproline II helixtrans-74.7136.1176.6-159179.792.300109.3F11 F28M9-F11 PolarHBondContact O-N 3.3Å; M9-F28 WeakPolarHBondContact O-CZ 3.41Å
10E54.6Low61.2Low111 Ų111106.3 Ų106.352%0.51959%0.585SS.*PPolyproline II helixtrans-54.9130.7-179.4-159.2175.9-171.400110.9R59E10-R59 WeakPolarHBondContact OE1-CD 3.38Å; E10-R59 IonicContact OE1-CZ 3.95Å; E10-R59 IonicContact OE1-NE 2.71Å; E10-R59 IonicContact OE1-NH1 3.46Å; E10-R59 PolarHBondContact OE1-NH1 2.78Å; E10-R59 IonicContact OE2-NH1 3.7Å
11F62.5Low61.8Low100 Ų100107.7 Ų107.744%0.43959%0.585SS.*PPolyproline II helixtrans-102.9135.8177.988.6-91.6000110.4M9 C24M9-F11 PolarHBondContact O-N 3.3Å; F11-C24 WeakPolarHBondContact CB-SG 3.47Å; F11-C24 VanDerWaalsContact CG-SG 3.53Å
12E63.5Low63.6Low130 Ų130102.8 Ų102.861%0.60756%0.56SS**  trans-110.9117.2172.7-170.5153.9-128.500107.9D14 I19 R59E12-D14 PolarHBondContact O-N 2.92Å; E12-I19 WeakPolarHBondContact O-CG2 3.39Å; E12-R59 IonicContact OE1-NH2 3.76Å; E12-R59 PolarHBondContact OE1-NH2 3.48Å
13Y70.6Confident65.1Low150 Ų15099.1 Ų99.159%0.58854%0.543SS*.  trans-67.3114.9-178.8178.2-96.2000109.9P15Y13-P15 HydrophobicContact CE1-CB 4.48Å; Y13-P15 HydrophobicContact CE1-CG 4.01Å
14D76Confident65.8Low46 Ų4696 Ų9625%0.24652%0.515CS..BIsolated β-bridgetrans-141.497.3178.3-177.8-5.4000109.1E12 D16 N17 S18 I19E12-D14 PolarHBondContact O-N 2.92Å; D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 PolarHBondContact OD1-N 3.15Å; D14-N17 HydrophobicContact CB-CB 4.48Å; D14-N17 PolarHBondContact O-N 3.5Å; D14-N17 PolarHBondContact OD1-N 3.02Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.05Å; D14-S18 PolarHBondContact O-N 2.87Å; D14-I19 HydrophobicContact CB-CB 4.15Å; D14-I19 HydrophobicContact CB-CD1 4.21Å; D14-I19 HydrophobicContact CB-CG1 4.35Å; D14-I19 PolarHBondContact N-O 2.93Å; D14-I19 VanDerWaalsContact N-O 3.13Å; D14-I19 CarbonylContact O-C 3.47Å; D14-I19 WeakPolarHBondContact O-CA 3.34Å; D14-I19 WeakPolarHBondContact O-CB 3.13Å; D14-I19 PolarHBondContact O-N 3.2Å
15P72.8Confident66.8Low73 Ų7394.1 Ų94.147%0.47451%0.506SS..THydrogen-bonded Turntrans-69.7-25.5-177.628.6-32.9000112.7Y13 N17 S18Y13-P15 HydrophobicContact CE1-CB 4.48Å; Y13-P15 HydrophobicContact CE1-CG 4.01Å; P15-N17 VanDerWaalsContact C-N 3.33Å; P15-S18 PolarHBondContact O-N 3.24Å
16D81.6Confident68Low151 Ų15197.5 Ų97.581%0.80751%0.51SS*.THydrogen-bonded Turntrans-73.5-30.1-178.1-63-33000110.9D14D14-D16 VanDerWaalsContact C-N 3.27Å; D14-D16 PolarHBondContact O-N 3.42Å; D14-D16 PolarHBondContact OD1-N 3.15Å
17N78Confident68.9Low113 Ų11399.8 Ų99.860%0.60450%0.504SS*.THydrogen-bonded Turntrans-98.221173.8-75.3-38.9000114.3D14 P15 I19D14-N17 HydrophobicContact CB-CB 4.48Å; D14-N17 PolarHBondContact O-N 3.5Å; D14-N17 PolarHBondContact OD1-N 3.02Å; D14-N17 WeakPolarHBondContact OD2-CB 3.49Å; D14-N17 PolarHBondContact OD2-ND2 3.05Å; P15-N17 VanDerWaalsContact C-N 3.33Å; N17-I19 HydrophobicContact CB-CD1 4.49Å; N17-I19 HydrophobicContact CB-CG1 4.29Å; N17-I19 PolarHBondContact O-N 3.19Å; N17-I19 VanDerWaalsContact O-N 3.15Å
18S68.9Low69.4Low84 Ų8496.8 Ų96.859%0.58748%0.479SS*.THydrogen-bonded Turntrans62.616.1179.6-39.50000114.8D14 P15 A20 T23D14-S18 PolarHBondContact O-N 2.87Å; P15-S18 PolarHBondContact O-N 3.24Å; S18-A20 PolarHBondContact O-N 3.44Å; S18-T23 WeakPolarHBondContact O-CB 3.32Å; S18-T23 PolarHBondContact O-OG1 3.3Å
19I70.5Confident70.2Confident69 Ų6999 Ų9935%0.35449%0.486SS..BIsolated β-bridgetrans-85.364.6173.2-43.9-179.4000108.3E12 D14 N17E12-I19 WeakPolarHBondContact O-CG2 3.39Å; D14-I19 HydrophobicContact CB-CB 4.15Å; D14-I19 HydrophobicContact CB-CD1 4.21Å; D14-I19 HydrophobicContact CB-CG1 4.35Å; D14-I19 PolarHBondContact N-O 2.93Å; D14-I19 VanDerWaalsContact N-O 3.13Å; D14-I19 CarbonylContact O-C 3.47Å; D14-I19 WeakPolarHBondContact O-CA 3.34Å; D14-I19 WeakPolarHBondContact O-CB 3.13Å; D14-I19 PolarHBondContact O-N 3.2Å; N17-I19 HydrophobicContact CB-CD1 4.49Å; N17-I19 HydrophobicContact CB-CG1 4.29Å; N17-I19 PolarHBondContact O-N 3.19Å; N17-I19 VanDerWaalsContact O-N 3.15Å
20A76.4Confident70.7Confident36 Ų3695 Ų9530%0.29848%0.477SS..  trans-92.3168.917500000111.2S18 E22 T23 C24S18-A20 PolarHBondContact O-N 3.44Å; A20-E22 VanDerWaalsContact C-N 3.33Å; A20-E22 PolarHBondContact O-N 3.2Å; A20-T23 PolarHBondContact O-N 3.4Å; A20-C24 PolarHBondContact O-N 3.35Å; A20-C24 VanDerWaalsContact O-N 3.16Å
21F73.7Confident71.2Confident136 Ų13691.1 Ų91.160%0.59646%0.461SS*.Hα-helixtrans-54.6-46.3177.9177.9-96.8000112.3T23 C24 F25F21-T23 PolarHBondContact O-N 3.39Å; F21-C24 WeakPolarHBondContact O-CB 3.39Å; F21-C24 PolarHBondContact O-N 2.9Å; F21-F25 HydrophobicContact CE1-CB 4.31Å; F21-F25 HydrophobicContact CZ-CD2 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.24Å; F21-F25 PolarHBondContact O-N 3.42Å
22E73.8Confident71.2Confident132 Ų13289.8 Ų89.862%0.61746%0.455SS*.Hα-helixtrans-54.4-50.1177.4-108.270.4-161.700113.3A20 C24 F25 Q26A20-E22 VanDerWaalsContact C-N 3.33Å; A20-E22 PolarHBondContact O-N 3.2Å; E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 3.04Å; E22-F25 PolarHBondContact O-N 2.91Å; E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 2.9Å
23T71.8Confident71.5Confident71 Ų7188.1 Ų88.144%0.43645%0.454SS..Hα-helixtrans-62.8-37.8-179-42.80000111.1S18 A20 F21 R27S18-T23 WeakPolarHBondContact O-CB 3.32Å; S18-T23 PolarHBondContact O-OG1 3.3Å; A20-T23 PolarHBondContact O-N 3.4Å; F21-T23 PolarHBondContact O-N 3.39Å; T23-R27 PolarHBondContact O-N 3.04Å
24C66Low71.3Confident18 Ų1886 Ų8612%0.12246%0.457CS..Hα-helixtrans-71.2-42.6177.3-153.10000111.4F11 A20 F21 E22 R27 F28F11-C24 WeakPolarHBondContact CB-SG 3.47Å; F11-C24 VanDerWaalsContact CG-SG 3.53Å; A20-C24 PolarHBondContact O-N 3.35Å; A20-C24 VanDerWaalsContact O-N 3.16Å; F21-C24 WeakPolarHBondContact O-CB 3.39Å; F21-C24 PolarHBondContact O-N 2.9Å; E22-C24 VanDerWaalsContact C-N 3.26Å; E22-C24 PolarHBondContact O-N 3.04Å; C24-R27 WeakPolarHBondContact O-CB 3.5Å; C24-R27 PolarHBondContact O-N 3.47Å; C24-F28 WeakPolarHBondContact O-CD2 3.19Å; C24-F28 PolarHBondContact O-N 3.31Å; C24-F28 VanDerWaalsContact O-N 3.16Å
25F70.3Confident70.6Confident87 Ų8786 Ų8638%0.38246%0.457SS..Hα-helixtrans-61.9-46.7177.6-176.8-97.1000111.1F21 E22 R27 F28 E29 F32F21-F25 HydrophobicContact CE1-CB 4.31Å; F21-F25 HydrophobicContact CZ-CD2 4.33Å; F21-F25 WeakPolarHBondContact O-CB 3.24Å; F21-F25 PolarHBondContact O-N 3.42Å; E22-F25 PolarHBondContact O-N 2.91Å; F25-R27 PolarHBondContact O-N 3.2Å; F25-F28 CarbonylContact O-C 3.45Å; F25-F28 PolarHBondContact O-N 3.33Å; F25-E29 HydrophobicContact CE1-CG 4.34Å; F25-E29 WeakPolarHBondContact O-CA 3.45Å; F25-E29 WeakPolarHBondContact O-CB 3.34Å; F25-E29 PolarHBondContact O-N 2.8Å; F25-F32 HydrophobicContact CD2-CE2 4.45Å; F25-F32 HydrophobicContact CE2-CD2 4.48Å; F25-F32 HydrophobicContact CE2-CE2 4.16Å
26Q76.5Confident70Confident134 Ų13482.7 Ų82.763%0.62644%0.435SS*.Hα-helixtrans-57-37.3175.3-75.5-179.7-8.600112.4E22 F28 E29E22-Q26 WeakPolarHBondContact O-CG 3.31Å; E22-Q26 PolarHBondContact O-N 2.9Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 2.94Å; Q26-E29 PolarHBondContact O-N 3.37Å
27R70.8Confident69.2Low181 Ų18178.6 Ų78.668%0.68342%0.422SS*.Hα-helixtrans-68.4-31.8178.8-155.9174.9-172.1179.11.7112.8T23 C24 F25T23-R27 PolarHBondContact O-N 3.04Å; C24-R27 WeakPolarHBondContact O-CB 3.5Å; C24-R27 PolarHBondContact O-N 3.47Å; F25-R27 PolarHBondContact O-N 3.2Å
28F66.8Low68.6Low32 Ų3279.6 Ų79.614%0.1443%0.433CS..Hα-helixtrans-100.1-5.8178.5-64.4-59.1000113.9V8 M9 C24 F25 Q26 G30 V31 F32V8-F28 HydrophobicContact CB-CE1 4.11Å; V8-F28 HydrophobicContact CG1-CD1 4.21Å; V8-F28 HydrophobicContact CG1-CE1 3.74Å; V8-F28 HydrophobicContact CG1-CE2 4.42Å; V8-F28 HydrophobicContact CG1-CZ 3.83Å; V8-F28 HydrophobicContact CG2-CD1 4.3Å; V8-F28 HydrophobicContact CG2-CE1 4.27Å; M9-F28 WeakPolarHBondContact O-CZ 3.41Å; C24-F28 WeakPolarHBondContact O-CD2 3.19Å; C24-F28 PolarHBondContact O-N 3.31Å; C24-F28 VanDerWaalsContact O-N 3.16Å; F25-F28 CarbonylContact O-C 3.45Å; F25-F28 PolarHBondContact O-N 3.33Å; Q26-F28 VanDerWaalsContact C-N 3.32Å; Q26-F28 PolarHBondContact O-N 2.94Å; F28-G30 PolarHBondContact O-N 3.44Å; F28-V31 HydrophobicContact CD1-CG2 4.23Å; F28-V31 WeakPolarHBondContact O-CA 3.27Å; F28-V31 VanDerWaalsContact O-CB 3.23Å; F28-V31 WeakPolarHBondContact O-CB 3.32Å; F28-V31 PolarHBondContact O-N 3.18Å; F28-F32 HydrophobicContact CB-CE2 4.01Å; F28-F32 WeakPolarHBondContact O-CD2 3.47Å; F28-F32 PolarHBondContact O-N 2.93Å
29E71.4Confident68.4Low99 Ų9977.7 Ų77.746%0.46342%0.418SS..Hα-helixtrans-51.6-46.6-178.7-170.6175.1-168.600110.5F25 Q26 V31 F32 T33F25-E29 HydrophobicContact CE1-CG 4.34Å; F25-E29 WeakPolarHBondContact O-CA 3.45Å; F25-E29 WeakPolarHBondContact O-CB 3.34Å; F25-E29 PolarHBondContact O-N 2.8Å; Q26-E29 PolarHBondContact O-N 3.37Å; E29-V31 PolarHBondContact O-N 3.37Å; E29-F32 WeakPolarHBondContact O-CA 3.3Å; E29-F32 WeakPolarHBondContact O-CB 3.43Å; E29-F32 PolarHBondContact O-N 3.44Å; E29-T33 PolarHBondContact O-N 2.93Å; E29-T33 PolarHBondContact O-OG1 3.47Å
30G67.4Low68.5Low42 Ų4277 Ų7743%0.43343%0.429SS..Hα-helixtrans-59.4-28.517600000114.8F28 T33 V34F28-G30 PolarHBondContact O-N 3.44Å; G30-T33 PolarHBondContact O-N 3.49Å; G30-V34 WeakPolarHBondContact O-CB 3.5Å; G30-V34 VanDerWaalsContact O-CG2 3.29Å; G30-V34 WeakPolarHBondContact O-CG2 3.28Å; G30-V34 PolarHBondContact O-N 2.94Å
31V65.9Low68.2Low30 Ų3081.1 Ų81.118%0.18245%0.445CS..Hα-helixtrans-69.4-36.5173.8-177.80000110.4F28 E29 D35 C36F28-V31 HydrophobicContact CD1-CG2 4.23Å; F28-V31 WeakPolarHBondContact O-CA 3.27Å; F28-V31 VanDerWaalsContact O-CB 3.23Å; F28-V31 WeakPolarHBondContact O-CB 3.32Å; F28-V31 PolarHBondContact O-N 3.18Å; E29-V31 PolarHBondContact O-N 3.37Å; V31-D35 HydrophobicContact CG1-CB 4.36Å; V31-D35 WeakPolarHBondContact O-CB 3.38Å; V31-D35 PolarHBondContact O-N 3.31Å; V31-C36 PolarHBondContact O-N 2.88Å
32F63.6Low67.8Low71 Ų7183.6 Ų83.631%0.31146%0.456SS..Hα-helixtrans-71.7-35.2173.1-60.2-90000111.8F25 F28 E29 C36 L48F25-F32 HydrophobicContact CD2-CE2 4.45Å; F25-F32 HydrophobicContact CE2-CD2 4.48Å; F25-F32 HydrophobicContact CE2-CE2 4.16Å; F28-F32 HydrophobicContact CB-CE2 4.01Å; F28-F32 WeakPolarHBondContact O-CD2 3.47Å; F28-F32 PolarHBondContact O-N 2.93Å; E29-F32 WeakPolarHBondContact O-CA 3.3Å; E29-F32 WeakPolarHBondContact O-CB 3.43Å; E29-F32 PolarHBondContact O-N 3.44Å; F32-C36 CarbonylContact O-C 3.53Å; F32-C36 WeakPolarHBondContact O-CB 3.46Å; F32-C36 PolarHBondContact O-N 3.49Å; F32-L48 HydrophobicContact CD1-CD1 4.01Å; F32-L48 HydrophobicContact CD1-CD2 3.91Å; F32-L48 HydrophobicContact CD1-CG 4.46Å; F32-L48 HydrophobicContact CE1-CD1 3.5Å; F32-L48 HydrophobicContact CE1-CD2 3.13Å; F32-L48 HydrophobicContact CE1-CG 3.88Å; F32-L48 HydrophobicContact CZ-CD2 3.64Å
33T68.6Low67.7Low96 Ų9679.5 Ų79.559%0.58944%0.444SS*.Hα-helixtrans-76.5-33.5-178.5-31.90000112.8E29 G30 A37E29-T33 PolarHBondContact O-N 2.93Å; E29-T33 PolarHBondContact O-OG1 3.47Å; G30-T33 PolarHBondContact O-N 3.49Å; T33-A37 WeakPolarHBondContact O-CB 3.5Å
34V67.4Low67.5Low106 Ų10678.8 Ų78.864%0.64244%0.436SS*.Hα-helixtrans-97.4-55.9-176.6-179.60000111.7G30G30-V34 WeakPolarHBondContact O-CB 3.5Å; G30-V34 VanDerWaalsContact O-CG2 3.29Å; G30-V34 WeakPolarHBondContact O-CG2 3.28Å; G30-V34 PolarHBondContact O-N 2.94Å
35D60.2Low67.7Low45 Ų4582.1 Ų82.124%0.24146%0.455CS..THydrogen-bonded Turntrans-80.7-21.6-173.7-63.9-24.4000112.4H4 V31H4-D35 IonicContact CG-OD1 3.94Å; H4-D35 IonicContact ND1-OD1 2.98Å; H4-D35 PolarHBondContact ND1-OD1 2.89Å; V31-D35 HydrophobicContact CG1-CB 4.36Å; V31-D35 WeakPolarHBondContact O-CB 3.38Å; V31-D35 PolarHBondContact O-N 3.31Å
36C60.3Low67.8Low3 Ų386.9 Ų86.92%0.0247%0.47CS..THydrogen-bonded Turntrans-107.117.8176.5-55.70000112.9V31 F32 K44V31-C36 PolarHBondContact O-N 2.88Å; F32-C36 CarbonylContact O-C 3.53Å; F32-C36 WeakPolarHBondContact O-CB 3.46Å; F32-C36 PolarHBondContact O-N 3.49Å; C36-K44 HydrophobicContact CB-CB 4.37Å; C36-K44 HydrophobicContact CB-CD 3.82Å; C36-K44 HydrophobicContact CB-CG 3.85Å; C36-K44 WeakPolarHBondContact O-CD 2.81Å; C36-K44 WeakPolarHBondContact O-CE 3.44Å; C36-K44 PolarHBondContact O-NZ 3.34Å
37A65.8Low67.5Low66 Ų6684.2 Ų84.255%0.54546%0.457SS..SBendtrans-66.2-40.1179.600000113.2T33T33-A37 WeakPolarHBondContact O-CB 3.5Å
38T65.4Low67.4Low134 Ų13478.2 Ų78.282%0.82244%0.438SS*.SBendtrans-99.3-33.7-166.735.40000116.2
39P63.6Low67.4Low44 Ų4484 Ų8429%0.28646%0.459SS..SBendtrans-76.3138.6-178.4-9.125.4000110.7A43 K44P39-A43 HydrophobicContact CB-CB 3.43Å; P39-A43 VanDerWaalsContact CB-CB 3.43Å; P39-K44 HydrophobicContact CB-CG 4.48Å; P39-K44 WeakPolarHBondContact O-CE 3.38Å; P39-K44 WeakPolarHBondContact O-CG 2.91Å
40G72.8Confident67.3Low55 Ų5581.2 Ų81.257%0.56746%0.457SS*.  trans-56.6154.1169.900000111.6K42 A43 K44G40-K42 PolarHBondContact O-N 2.87Å; G40-A43 WeakPolarHBondContact O-CA 3.32Å; G40-A43 WeakPolarHBondContact O-CB 3.36Å; G40-A43 PolarHBondContact O-N 3.49Å; G40-K44 PolarHBondContact O-N 3.33Å
41D70Confident67.3Low121 Ų12181.3 Ų81.365%0.64745%0.446SS*.Hα-helixtrans-47.4-35.2-168.5-65.2-23.6000114.6A43 K44 V45D41-A43 VanDerWaalsContact C-N 3.3Å; D41-A43 PolarHBondContact O-N 3.32Å; D41-K44 PolarHBondContact O-N 3.46Å; D41-V45 VanDerWaalsContact O-CG2 3.32Å; D41-V45 WeakPolarHBondContact O-CG2 3.4Å; D41-V45 PolarHBondContact O-N 3.35Å
42K65.6Low67.1Low188 Ų18885 Ų8582%0.81746%0.464SS*.Hα-helixtrans-60.7-36177.4-145.7174.6-161.2174.90113.4G40 R46G40-K42 PolarHBondContact O-N 2.87Å; K42-R46 WeakPolarHBondContact O-CB 3.16Å; K42-R46 PolarHBondContact O-N 3.24Å; K42-R46 VanDerWaalsContact O-N 3.16Å
43A71.6Confident66.9Low46 Ų4685.7 Ų85.738%0.3847%0.469SS..Hα-helixtrans-79.3-36.2176.600000111.5P39 G40 D41 R46 F47P39-A43 HydrophobicContact CB-CB 3.43Å; P39-A43 VanDerWaalsContact CB-CB 3.43Å; G40-A43 WeakPolarHBondContact O-CA 3.32Å; G40-A43 WeakPolarHBondContact O-CB 3.36Å; G40-A43 PolarHBondContact O-N 3.49Å; D41-A43 VanDerWaalsContact C-N 3.3Å; D41-A43 PolarHBondContact O-N 3.32Å; A43-R46 PolarHBondContact O-N 3.16Å; A43-F47 WeakPolarHBondContact O-CB 3.44Å; A43-F47 PolarHBondContact O-N 2.88Å
44K68.8Low66.8Low57 Ų5784.9 Ų84.925%0.24846%0.464CS..Hα-helixtrans-60.1-47.6171.4-54.4-175.1-168.2-157.70111.3C36 P39 G40 D41 R46 F47 L48C36-K44 HydrophobicContact CB-CB 4.37Å; C36-K44 HydrophobicContact CB-CD 3.82Å; C36-K44 HydrophobicContact CB-CG 3.85Å; C36-K44 WeakPolarHBondContact O-CD 2.81Å; C36-K44 WeakPolarHBondContact O-CE 3.44Å; C36-K44 PolarHBondContact O-NZ 3.34Å; P39-K44 HydrophobicContact CB-CG 4.48Å; P39-K44 WeakPolarHBondContact O-CE 3.38Å; P39-K44 WeakPolarHBondContact O-CG 2.91Å; G40-K44 PolarHBondContact O-N 3.33Å; D41-K44 PolarHBondContact O-N 3.46Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.87Å; K44-F47 PolarHBondContact O-N 2.71Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.07Å; K44-L48 PolarHBondContact O-N 2.78Å
45V70.2Confident66.7Low88 Ų8883.3 Ų83.353%0.53345%0.452SS..Hα-helixtrans-61.3-41176.2173.10000110.7D41 R49D41-V45 VanDerWaalsContact O-CG2 3.32Å; D41-V45 WeakPolarHBondContact O-CG2 3.4Å; D41-V45 PolarHBondContact O-N 3.35Å; V45-R49 WeakPolarHBondContact O-CB 2.97Å; V45-R49 PolarHBondContact O-N 3.4Å
46R71.1Confident67.1Low186 Ų18684.1 Ų84.170%0.70246%0.458SS*.Hα-helixtrans-63.7-42.2175.7-171-173.7-67.8-144.61.1111.9K42 A43 K44 R49 G50K42-R46 WeakPolarHBondContact O-CB 3.16Å; K42-R46 PolarHBondContact O-N 3.24Å; K42-R46 VanDerWaalsContact O-N 3.16Å; A43-R46 PolarHBondContact O-N 3.16Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-R46 PolarHBondContact O-N 2.87Å; R46-R49 PolarHBondContact O-N 2.85Å; R46-G50 PolarHBondContact O-N 3.23Å
47F70.5Confident67.5Low78 Ų7885.1 Ų85.134%0.34246%0.464SS..Hα-helixtrans-65-49.4178.6178.7-103.5000111.9A43 K44 R49 G50 K51A43-F47 WeakPolarHBondContact O-CB 3.44Å; A43-F47 PolarHBondContact O-N 2.88Å; K44-F47 PolarHBondContact O-N 2.71Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.48Å; F47-G50 CarbonylContact O-C 3.58Å; F47-G50 WeakPolarHBondContact O-CA 3.13Å; F47-G50 PolarHBondContact O-N 3.42Å; F47-K51 HydrophobicContact CE1-CD 3.78Å; F47-K51 HydrophobicContact CE2-CD 4.19Å; F47-K51 HydrophobicContact CZ-CD 3.62Å; F47-K51 PolarHBondContact O-N 2.86Å
48L69.4Low68Low56 Ų5687.7 Ų87.729%0.29347%0.469SS..Hα-helixtrans-61.1-42.1176.1-72.2164.2000111.7F32 K44 G50 K51 L52F32-L48 HydrophobicContact CD1-CD1 4.01Å; F32-L48 HydrophobicContact CD1-CD2 3.91Å; F32-L48 HydrophobicContact CD1-CG 4.46Å; F32-L48 HydrophobicContact CE1-CD1 3.5Å; F32-L48 HydrophobicContact CE1-CD2 3.13Å; F32-L48 HydrophobicContact CE1-CG 3.88Å; F32-L48 HydrophobicContact CZ-CD2 3.64Å; K44-L48 WeakPolarHBondContact O-CB 3.43Å; K44-L48 WeakPolarHBondContact O-CG 3.07Å; K44-L48 PolarHBondContact O-N 2.78Å; L48-G50 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.37Å; L48-L52 WeakPolarHBondContact O-CB 3.03Å; L48-L52 PolarHBondContact O-N 3.01Å
49R66.6Low68.6Low153 Ų15386.1 Ų86.158%0.57745%0.448SS*.Hα-helixtrans-66.6-29175-156.9-177.388.1-141.32.9111.7V45 R46 F47 M53V45-R49 WeakPolarHBondContact O-CB 2.97Å; V45-R49 PolarHBondContact O-N 3.4Å; R46-R49 PolarHBondContact O-N 2.85Å; F47-R49 VanDerWaalsContact C-N 3.31Å; F47-R49 PolarHBondContact O-N 3.48Å; R49-M53 HydrophobicContact CG-CE 4.11Å; R49-M53 HydrophobicContact CG-CG 3.76Å; R49-M53 HydrophobicContact CG-SD 3.28Å; R49-M53 WeakPolarHBondContact CG-SD 3.38Å; R49-M53 WeakPolarHBondContact O-CB 2.96Å; R49-M53 WeakPolarHBondContact O-CG 3.43Å; R49-M53 PolarHBondContact O-N 3.18Å
50G69.4Low69.2Low41 Ų4189.8 Ų89.842%0.42346%0.457SS..Hα-helixtrans-70.7-47.8172.300000112.8R46 F47 L48 V54R46-G50 PolarHBondContact O-N 3.23Å; F47-G50 CarbonylContact O-C 3.58Å; F47-G50 WeakPolarHBondContact O-CA 3.13Å; F47-G50 PolarHBondContact O-N 3.42Å; L48-G50 PolarHBondContact O-N 2.86Å; G50-V54 WeakPolarHBondContact O-CG2 3.41Å
51K65.8Low69.4Low44 Ų4491.4 Ų91.419%0.19146%0.457CS..Hα-helixtrans-75.4-51.1-177.8-101.7176167.4176.50112.8H4 V8 F47 L48H4-K51 PolarHBondContact O-NZ 3.39Å; V8-K51 HydrophobicContact CG2-CD 4.1Å; F47-K51 HydrophobicContact CE1-CD 3.78Å; F47-K51 HydrophobicContact CE2-CD 4.19Å; F47-K51 HydrophobicContact CZ-CD 3.62Å; F47-K51 PolarHBondContact O-N 2.86Å; L48-K51 PolarHBondContact O-N 3.37Å
52L63.2Low69.6Low107 Ų10796.6 Ų96.656%0.5647%0.468SS*.Hα-helixtrans-72.7-31.8-175.6-163.472.5000112.4L48 V56L48-L52 WeakPolarHBondContact O-CB 3.03Å; L48-L52 PolarHBondContact O-N 3.01Å; L52-V56 WeakPolarHBondContact O-CB 3.13Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.4Å
53M59.7Low70.1Confident86 Ų8693.2 Ų93.242%0.42446%0.463SS..Hα-helixtrans-79.2-27.9-179.4-66.5-167.2136.800113.6R49 D55 V57R49-M53 HydrophobicContact CG-CE 4.11Å; R49-M53 HydrophobicContact CG-CG 3.76Å; R49-M53 HydrophobicContact CG-SD 3.28Å; R49-M53 WeakPolarHBondContact CG-SD 3.38Å; R49-M53 WeakPolarHBondContact O-CB 2.96Å; R49-M53 WeakPolarHBondContact O-CG 3.43Å; R49-M53 PolarHBondContact O-N 3.18Å; M53-D55 VanDerWaalsContact C-N 3.33Å; M53-D55 PolarHBondContact O-N 3.38Å; M53-V57 HydrophobicContact CB-CG2 3.91Å; M53-V57 WeakPolarHBondContact O-CA 3.22Å; M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 WeakPolarHBondContact O-CG2 3.39Å; M53-V57 PolarHBondContact O-N 3.41Å
54V65Low69.9Low78 Ų7899.1 Ų99.147%0.47348%0.475SS..Hα-helixtrans-61.2-47.5-175.9169.90000110.2G50 N58G50-V54 WeakPolarHBondContact O-CG2 3.41Å; V54-N58 VanDerWaalsContact O-CB 3.24Å; V54-N58 WeakPolarHBondContact O-CB 3.16Å; V54-N58 PolarHBondContact O-N 2.8Å; V54-N58 PolarHBondContact O-ND2 2.91Å; V54-N58 VanDerWaalsContact O-ND2 3.08Å
55D66.3Low70Confident74 Ų7499.7 Ų99.740%0.39649%0.485SS..Hα-helixtrans-74-44.6-178-60.4-28.6000111.9M53 V57 N58 R59M53-D55 VanDerWaalsContact C-N 3.33Å; M53-D55 PolarHBondContact O-N 3.38Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.47Å; D55-N58 PolarHBondContact O-N 3.46Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 PolarHBondContact O-N 3.03Å
56V68.8Low70.4Confident61 Ų61101.4 Ų101.437%0.3750%0.501SS..Hα-helixtrans-65.2-38.2178.6176.20000111.6L52 Y60L52-V56 WeakPolarHBondContact O-CB 3.13Å; L52-V56 VanDerWaalsContact O-CG2 3.26Å; L52-V56 WeakPolarHBondContact O-CG2 3.4Å; V56-Y60 HydrophobicContact CG1-CD2 4.08Å; V56-Y60 WeakPolarHBondContact O-CA 3.48Å; V56-Y60 WeakPolarHBondContact O-CB 3.37Å; V56-Y60 WeakPolarHBondContact O-CD2 3.43Å; V56-Y60 PolarHBondContact O-N 3.49Å
57V68.5Low70.7Confident25 Ų2599.3 Ų99.315%0.15249%0.493CS..Hα-helixtrans-70.8-38.5178.4173.10000111M53 D55 Y60 P61 R64M53-V57 HydrophobicContact CB-CG2 3.91Å; M53-V57 WeakPolarHBondContact O-CA 3.22Å; M53-V57 WeakPolarHBondContact O-CB 3.45Å; M53-V57 WeakPolarHBondContact O-CG2 3.39Å; M53-V57 PolarHBondContact O-N 3.41Å; D55-V57 VanDerWaalsContact C-N 3.34Å; D55-V57 PolarHBondContact O-N 3.47Å; V57-Y60 CarbonylContact O-C 3.5Å; V57-P61 WeakPolarHBondContact O-CA 3.26Å; V57-R64 HydrophobicContact CG1-CB 4.25Å; V57-R64 HydrophobicContact CG2-CB 4.35Å; V57-R64 HydrophobicContact CG2-CG 4.49Å
58N76Confident71.4Confident120 Ų120101 Ų10164%0.64251%0.505SS*.Hα-helixtrans-71.2-42.1177.3-71.5-19.2000111.8V54 D55V54-N58 VanDerWaalsContact O-CB 3.24Å; V54-N58 WeakPolarHBondContact O-CB 3.16Å; V54-N58 PolarHBondContact O-N 2.8Å; V54-N58 PolarHBondContact O-ND2 2.91Å; V54-N58 VanDerWaalsContact O-ND2 3.08Å; D55-N58 PolarHBondContact O-N 3.46Å
59R78.6Confident72.1Confident100 Ų100101.7 Ų101.738%0.37753%0.525SS..Hα-helixtrans-73.9-34.8-179.5-168.7165.3-178.6160.4-4.5112.3E10 E12 D55 P61E10-R59 WeakPolarHBondContact OE1-CD 3.38Å; E10-R59 IonicContact OE1-CZ 3.95Å; E10-R59 IonicContact OE1-NE 2.71Å; E10-R59 IonicContact OE1-NH1 3.46Å; E10-R59 PolarHBondContact OE1-NH1 2.78Å; E10-R59 IonicContact OE2-NH1 3.7Å; E12-R59 IonicContact OE1-NH2 3.76Å; E12-R59 PolarHBondContact OE1-NH2 3.48Å; D55-R59 WeakPolarHBondContact O-CB 3.24Å; D55-R59 PolarHBondContact O-N 3.03Å; R59-P61 VanDerWaalsContact C-CD 3.45Å; R59-P61 WeakPolarHBondContact O-CD 3.48Å
60Y76Confident72.9Confident121 Ų121101.8 Ų101.848%0.47554%0.537SS..  trans-12568.4-178.8-51.4-77.8000111.8V56 V57 R62 V63V56-Y60 HydrophobicContact CG1-CD2 4.08Å; V56-Y60 WeakPolarHBondContact O-CA 3.48Å; V56-Y60 WeakPolarHBondContact O-CB 3.37Å; V56-Y60 WeakPolarHBondContact O-CD2 3.43Å; V56-Y60 PolarHBondContact O-N 3.49Å; V57-Y60 CarbonylContact O-C 3.5Å; Y60-R62 PolarHBondContact O-N 3.43Å; Y60-V63 HydrophobicContact CG-CG2 4.5Å; Y60-V63 WeakPolarHBondContact O-CB 3.32Å; Y60-V63 PolarHBondContact O-N 3.08Å
61P76.3Confident73.7Confident89 Ų89108.3 Ų108.358%0.57855%0.549SS*.THydrogen-bonded Turntrans-60.7-24.7-176.523.7-33.7000112.9V57 R59 V63 R64V57-P61 WeakPolarHBondContact O-CA 3.26Å; R59-P61 VanDerWaalsContact C-CD 3.45Å; R59-P61 WeakPolarHBondContact O-CD 3.48Å; P61-V63 VanDerWaalsContact C-N 3.31Å; P61-V63 PolarHBondContact O-N 3.02Å; P61-R64 PolarHBondContact O-N 2.81Å
62R75.3Confident74.8Confident230 Ų230112 Ų11287%0.86858%0.575SS**THydrogen-bonded Turntrans-68.6-26.7175.4-65.5-175.7-168.9-102.21.4113.4Y60 R64 C65Y60-R62 PolarHBondContact O-N 3.43Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 3.31Å; R62-C65 WeakPolarHBondContact O-CB 3.29Å; R62-C65 PolarHBondContact O-N 3.41Å
63V75.1Confident76.1Confident118 Ų118114.1 Ų114.172%0.71558%0.582SS**THydrogen-bonded Turntrans-70.1-30.7-179.81760000111.1Y60 P61Y60-V63 HydrophobicContact CG-CG2 4.5Å; Y60-V63 WeakPolarHBondContact O-CB 3.32Å; Y60-V63 PolarHBondContact O-N 3.08Å; P61-V63 VanDerWaalsContact C-N 3.31Å; P61-V63 PolarHBondContact O-N 3.02Å
64R67.2Low77.5Confident170 Ų170113.5 Ų113.564%0.64259%0.591SS**THydrogen-bonded Turntrans-100.621.9175.5-150.1-176.476172.33.1113.4V57 P61 R62V57-R64 HydrophobicContact CG1-CB 4.25Å; V57-R64 HydrophobicContact CG2-CB 4.35Å; V57-R64 HydrophobicContact CG2-CG 4.49Å; P61-R64 PolarHBondContact O-N 2.81Å; R62-R64 VanDerWaalsContact C-N 3.3Å; R62-R64 PolarHBondContact O-N 3.31Å
65C71Confident78.7Confident68 Ų68118.8 Ų118.846%0.45961%0.607SS.*  trans-64.8141.2177.6-158.80000109.9R62 R67R62-C65 WeakPolarHBondContact O-CB 3.29Å; R62-C65 PolarHBondContact O-N 3.41Å; C65-R67 PolarHBondContact O-N 2.85Å
66S78.7Confident79.9Confident124 Ų124119.7 Ų119.787%0.86763%0.625SS**SBendtrans-68.9-16.3172.454.80000112.6
67R78.4Confident81Confident142 Ų142122.1 Ų122.154%0.53664%0.64SS.*SBendtrans-87.2144.9175.9-57.1-177.784-170.16.4109.8C65 G69 R111 N112C65-R67 PolarHBondContact O-N 2.85Å; R67-G69 PolarHBondContact O-N 3.46Å; R67-R111 PolarHBondContact NH2-O 2.83Å; R67-N112 WeakPolarHBondContact CA-OD1 3.44Å
68I84Confident82.1Confident113 Ų113128.4 Ų128.458%0.57967%0.672SS**PPolyproline II helixtrans-57.8136.4170.3-80.1169.4000109.5N112 I114I68-N112 PolarHBondContact N-OD1 3.06Å; I68-I114 HydrophobicContact CB-CD1 4.29Å; I68-I114 HydrophobicContact CD1-CD1 3.71Å; I68-I114 HydrophobicContact CG2-CD1 4.19Å
69G83.7Confident82.9Confident71 Ų71130.4 Ų130.473%0.73268%0.682SS**PPolyproline II helixtrans-66.2147.8-179.800000112.7R67R67-G69 PolarHBondContact O-N 3.46Å
70L84.7Confident83.6Confident156 Ų156132.3 Ų132.382%0.81770%0.699SS**  trans-107.8122.5177-178.665.9000110.5T72L70-T72 HydrophobicContact CD2-CG2 4.43Å; L70-T72 HydrophobicContact CG-CG2 4.43Å
71R86.6Confident84.5Confident177 Ų177135.1 Ų135.167%0.66871%0.714SS**  trans-83119.1170.9-172.773.1177-175.81.1109.3
72T87.9Confident85.4Confident122 Ų122136 Ų13675%0.74873%0.728SS**  trans-99.9-17.4-179.154.70000114L70 A74L70-T72 HydrophobicContact CD2-CG2 4.43Å; L70-T72 HydrophobicContact CG-CG2 4.43Å; T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.87Å
73Q90Very high86.3Confident151 Ų151128.7 Ų128.771%0.70673%0.725SS**SBendtrans-82.1-10.7-171.5-66.2-178.4-26.800114.3
74A89.5Confident87.3Confident74 Ų74127 Ų12761%0.61272%0.715SS**  trans-145.6142.7-176.200000110.4T72T72-A74 VanDerWaalsContact C-N 3.35Å; T72-A74 PolarHBondContact O-N 2.87Å
75K90.9Very high88.4Confident188 Ų188129 Ų12982%0.81772%0.722SS**  trans-120.1128170-172.2174.3-178.8179.30108.2T77K75-T77 PolarHBondContact O-N 3.01Å
76A90.7Very high89.4Confident93 Ų93130 Ų13077%0.76973%0.728SS**  trans-74.1125.9172.300000109.2
77T91.5Very high89.9Confident112 Ų112129.8 Ų129.869%0.68772%0.716SS**  trans-113.2123.2171.4-59.90000107.9K75 L79K75-T77 PolarHBondContact O-N 3.01Å; T77-L79 HydrophobicContact CG2-CD2 4.46Å
78L91.3Very high90.5Very high157 Ų157130.5 Ų130.582%0.82272%0.723SS**PPolyproline II helixtrans-90120.4177.3-60.7176.5000109
79L94Very high90.9Very high162 Ų162134.9 Ų134.985%0.84873%0.732SS**PPolyproline II helixtrans-88.2124.7175.8-60.8178.8000109.8T77T77-L79 HydrophobicContact CG2-CD2 4.46Å
80L92.9Very high91.2Very high141 Ų141137.1 Ų137.174%0.73874%0.736SS**PPolyproline II helixtrans-87145.5176.4-60.7179.2000110.4
81K95.3Very high91.6Very high179 Ų179141 Ų14178%0.77874%0.74SS**PPolyproline II helixtrans-64.5151.2168.2-65178.6179.1178.20109.5G83 V84K81-G83 PolarHBondContact O-N 2.89Å; K81-V84 HydrophobicContact CB-CG2 3.79Å; K81-V84 VanDerWaalsContact O-CG2 3.24Å; K81-V84 WeakPolarHBondContact O-CG2 3.32Å; K81-V84 PolarHBondContact O-N 3.36Å
82A95.5Very high91.9Very high107 Ų107143.4 Ų143.488%0.88475%0.749SS**THydrogen-bonded Turntrans-58.2138.1176.600000111.3V84A82-V84 VanDerWaalsContact C-N 3.31Å; A82-V84 PolarHBondContact O-N 2.97Å
83G94.6Very high92.3Very high77 Ų77143.8 Ų143.879%0.79475%0.754SS**THydrogen-bonded Turntrans77.44.8176.800000116.1K81K81-G83 PolarHBondContact O-N 2.89Å
84V94.2Very high92.5Very high83 Ų83140 Ų14050%0.50374%0.741SS.*  trans-69.3135.5177.4173.70000110.7K81 A82K81-V84 HydrophobicContact CB-CG2 3.79Å; K81-V84 VanDerWaalsContact O-CG2 3.24Å; K81-V84 WeakPolarHBondContact O-CG2 3.32Å; K81-V84 PolarHBondContact O-N 3.36Å; A82-V84 VanDerWaalsContact C-N 3.31Å; A82-V84 PolarHBondContact O-N 2.97Å
85R91.7Very high92.9Very high211 Ų211139 Ų13980%0.79673%0.733SS**  trans-108.9143.4175.5-63-179.2-178.6-116.70.7110.2
86P91Very high93.1Very high89 Ų89138.2 Ų138.258%0.57873%0.73SS**  trans-56.9138.8171.9-2433.9000111.3F88P86-F88 HydrophobicContact CB-CE2 4.26Å
87I90.4Very high93.4Very high121 Ų121138.6 Ų138.662%0.62172%0.722SS**  trans-117.7113.8178.2-55.4176.3000108.6R89I87-R89 HydrophobicContact CG2-CG 4.24Å
88F90.8Very high93.7Very high157 Ų157138.1 Ų138.169%0.68972%0.715SS**  trans-85.5124.6172.6-68.9-88000109.9P86 S121P86-F88 HydrophobicContact CB-CE2 4.26Å; F88-S121 WeakPolarHBondContact CE1-OG 3.41Å; F88-S121 VanDerWaalsContact CZ-OG 3.31Å; F88-S121 WeakPolarHBondContact CZ-OG 3.11Å
89R90.9Very high93.9Very high205 Ų205134.1 Ų134.177%0.77469%0.694SS**  trans-114.7138.5175.8-60.4-62.9-170.1179.3-1108.7I87I87-R89 HydrophobicContact CG2-CG 4.24Å
90S91.8Very high94.1Very high117 Ų117129.8 Ų129.882%0.81868%0.676SS**PPolyproline II helixtrans-64148.8169.451.90000110.2
91R91.1Very high94.3Very high238 Ų238125.2 Ų125.290%0.89866%0.663SS**PPolyproline II helixtrans-59.7143.2176.168.3-179.2-178.3-136.1-0.1110.6
92R94.5Very high94.4Very high227 Ų227119.5 Ų119.586%0.85764%0.643SS**PPolyproline II helixtrans-72.4140.6171.4-67.1-174.5-179.3-113.32.1109.7V94R92-V94 PolarHBondContact O-N 3.19Å
93P95.5Very high94.5Very high131 Ų131118.4 Ų118.485%0.85162%0.622SS**PPolyproline II helixtrans-65.3135.5173.425.8-31000109.8
94V94.6Very high94.6Very high70 Ų70123.5 Ų123.542%0.42462%0.617SS.*  trans-105.5135.4175.1179.50000107.5R92 L98 L99 V102R92-V94 PolarHBondContact O-N 3.19Å; V94-L98 HydrophobicContact CG1-CB 3.99Å; V94-L99 HydrophobicContact CB-CD2 3.99Å; V94-L99 HydrophobicContact CG1-CD2 4Å; V94-V102 HydrophobicContact CG1-CG2 4.15Å
95A96.9Very high94.8Very high53 Ų53124.6 Ų124.644%0.43862%0.617SS.*  trans-59.8139.317600000110.5T97 L98 L99A95-T97 PolarHBondContact O-N 3.21Å; A95-T97 VanDerWaalsContact O-N 3.13Å; A95-L98 HydrophobicContact CB-CD1 4.19Å; A95-L98 HydrophobicContact CB-CG 4.35Å; A95-L98 PolarHBondContact O-N 2.87Å; A95-L99 PolarHBondContact O-N 2.83Å
96F96.5Very high95Very high172 Ų172118.3 Ų118.375%0.75460%0.599SS**G310 helixtrans-55.1-37.4-175.4125.3-95.8000112.7L98 L99F96-L98 PolarHBondContact O-N 3.34Å; F96-L99 PolarHBondContact O-N 2.94Å
97T97.3Very high95.2Very high101 Ų101118 Ų11862%0.6259%0.592SS**G310 helixtrans-64.4-23.2179.7520000113.3A95A95-T97 PolarHBondContact O-N 3.21Å; A95-T97 VanDerWaalsContact O-N 3.13Å
98L97Very high95.4Very high103 Ų103114 Ų11454%0.53958%0.575SS.*G310 helixtrans-95.1-16.7-177.8-62.2175.9000113.1V94 A95 F96 P100 G101 V102V94-L98 HydrophobicContact CG1-CB 3.99Å; A95-L98 HydrophobicContact CB-CD1 4.19Å; A95-L98 HydrophobicContact CB-CG 4.35Å; A95-L98 PolarHBondContact O-N 2.87Å; F96-L98 PolarHBondContact O-N 3.34Å; L98-P100 VanDerWaalsContact C-CD 3.48Å; L98-G101 PolarHBondContact O-N 3.23Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 3.48Å
99L96.3Very high95.6Very high73 Ų73108.5 Ų108.538%0.38255%0.552SS.*Hα-helixtrans-51.2-48.5-177.6-68171.6000112.7V94 A95 F96 G101 V102 D103V94-L99 HydrophobicContact CB-CD2 3.99Å; V94-L99 HydrophobicContact CG1-CD2 4Å; A95-L99 PolarHBondContact O-N 2.83Å; F96-L99 PolarHBondContact O-N 2.94Å; L99-G101 PolarHBondContact O-N 2.73Å; L99-V102 PolarHBondContact O-N 2.9Å; L99-V102 VanDerWaalsContact O-N 3.15Å; L99-D103 WeakPolarHBondContact O-CB 3.45Å; L99-D103 VanDerWaalsContact O-CG 3.26Å; L99-D103 PolarHBondContact O-N 3.25Å
100P98Very high95.9Very high70 Ų70102.3 Ų102.346%0.45553%0.532SS..Hα-helixtrans-63.6-31.1-178.6-20.633.3000113.4L98 R104L98-P100 VanDerWaalsContact C-CD 3.48Å; P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 WeakPolarHBondContact O-CD 3.4Å; P100-R104 WeakPolarHBondContact O-CG 3.48Å; P100-R104 PolarHBondContact O-N 3.06Å
101G97.4Very high95.9Very high45 Ų45104 Ų10446%0.46452%0.52SS..Hα-helixtrans-72.1-44.4176.500000111.6L98 L99 E105L98-G101 PolarHBondContact O-N 3.23Å; L99-G101 PolarHBondContact O-N 2.73Å; G101-E105 PolarHBondContact O-N 2.77Å
102V96.9Very high95.9Very high60 Ų6094.3 Ų94.336%0.36449%0.486SS..Hα-helixtrans-63.6-47.1178174.70000110.8V94 L98 L99 R104 E105 L106V94-V102 HydrophobicContact CG1-CG2 4.15Å; L98-V102 WeakPolarHBondContact O-CG2 3.23Å; L98-V102 PolarHBondContact O-N 3.48Å; L99-V102 PolarHBondContact O-N 2.9Å; L99-V102 VanDerWaalsContact O-N 3.15Å; V102-R104 PolarHBondContact O-N 2.98Å; V102-E105 PolarHBondContact O-N 3.22Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.44Å
103D97.1Very high95.7Very high83 Ų8386.4 Ų86.444%0.44448%0.476SS..Hα-helixtrans-62.5-42.9-178.9-66.6-26.7000111.3L99 E105 L106 D107L99-D103 WeakPolarHBondContact O-CB 3.45Å; L99-D103 VanDerWaalsContact O-CG 3.26Å; L99-D103 PolarHBondContact O-N 3.25Å; D103-E105 VanDerWaalsContact C-N 3.3Å; D103-E105 PolarHBondContact O-N 3.06Å; D103-L106 PolarHBondContact O-N 3.09Å; D103-D107 WeakPolarHBondContact O-CB 3.41Å; D103-D107 VanDerWaalsContact O-CG 3.31Å; D103-D107 PolarHBondContact O-N 2.71Å
104R97.7Very high95.6Very high184 Ų18484.1 Ų84.169%0.69446%0.456SS*.Hα-helixtrans-59.3-40.4175.8-78.3172.7-171.6178.63.9112.8P100 V102 C108P100-R104 WeakPolarHBondContact O-CB 3.46Å; P100-R104 WeakPolarHBondContact O-CD 3.4Å; P100-R104 WeakPolarHBondContact O-CG 3.48Å; P100-R104 PolarHBondContact O-N 3.06Å; V102-R104 PolarHBondContact O-N 2.98Å; R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.42Å
105E96.8Very high95.6Very high107 Ų10784.4 Ų84.450%0.545%0.454SS..Hα-helixtrans-71.8-43179.4-17157.4-150.200110.9G101 V102 D103 D107 C108 L109G101-E105 PolarHBondContact O-N 2.77Å; V102-E105 PolarHBondContact O-N 3.22Å; D103-E105 VanDerWaalsContact C-N 3.3Å; D103-E105 PolarHBondContact O-N 3.06Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 3.36Å; E105-C108 WeakPolarHBondContact O-CA 3.4Å; E105-C108 VanDerWaalsContact O-CB 3.27Å; E105-C108 WeakPolarHBondContact O-CB 3.43Å; E105-C108 PolarHBondContact O-N 3.46Å; E105-L109 HydrophobicContact CG-CD1 4.41Å; E105-L109 WeakPolarHBondContact O-CG 3.16Å; E105-L109 PolarHBondContact O-N 3.16Å
106L96.6Very high95.5Very high79 Ų7986.6 Ų86.641%0.41447%0.467SS..Hα-helixtrans-57.7-46.5174.4-70.6175000111.5V102 D103 C108 L109 E110 L115V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.33Å; V102-L106 PolarHBondContact O-N 3.44Å; D103-L106 PolarHBondContact O-N 3.09Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.19Å; L106-L109 PolarHBondContact O-N 3.31Å; L106-E110 PolarHBondContact O-N 3.16Å; L106-L115 HydrophobicContact CD2-CD1 3.95Å
107D96.4Very high95.4Very high82 Ų8286.7 Ų86.744%0.43947%0.467SS..Hα-helixtrans-60.3-36.8174.8-72-20.6000112D103 E105 R111D103-D107 WeakPolarHBondContact O-CB 3.41Å; D103-D107 VanDerWaalsContact O-CG 3.31Å; D103-D107 PolarHBondContact O-N 2.71Å; E105-D107 VanDerWaalsContact C-N 3.34Å; E105-D107 PolarHBondContact O-N 3.36Å; D107-R111 VanDerWaalsContact CB-NH2 3.29Å; D107-R111 VanDerWaalsContact O-CB 3.3Å; D107-R111 WeakPolarHBondContact O-CB 3.34Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.31Å; D107-R111 PolarHBondContact O-NE 3.48Å
108C94Very high95.2Very high37 Ų3787 Ų8725%0.2547%0.468CS..Hα-helixtrans-64.7-45.5176.7-167.60000111.2R104 E105 L106 R111 N112R104-C108 WeakPolarHBondContact O-CB 3.35Å; R104-C108 PolarHBondContact O-N 3.42Å; E105-C108 WeakPolarHBondContact O-CA 3.4Å; E105-C108 VanDerWaalsContact O-CB 3.27Å; E105-C108 WeakPolarHBondContact O-CB 3.43Å; E105-C108 PolarHBondContact O-N 3.46Å; L106-C108 VanDerWaalsContact C-N 3.25Å; L106-C108 PolarHBondContact O-N 3.19Å; C108-R111 PolarHBondContact O-N 3.34Å; C108-N112 WeakPolarHBondContact O-CB 3.09Å; C108-N112 PolarHBondContact O-N 3.37Å; C108-N112 PolarHBondContact O-ND2 3.42Å; C108-N112 PolarHBondContact SG-ND2 2.8Å; C108-N112 VanDerWaalsContact SG-ND2 3.44Å
109L95.6Very high94.9Very high41 Ų4189 Ų8922%0.21548%0.479CS..Hα-helixtrans-67.1-40.4179.2-64.9175.7000111.8E105 L106 N112 G113 I114 L115E105-L109 HydrophobicContact CG-CD1 4.41Å; E105-L109 WeakPolarHBondContact O-CG 3.16Å; E105-L109 PolarHBondContact O-N 3.16Å; L106-L109 PolarHBondContact O-N 3.31Å; L109-N112 PolarHBondContact O-N 3.13Å; L109-G113 PolarHBondContact O-N 3.19Å; L109-I114 HydrophobicContact CB-CB 4.38Å; L109-I114 HydrophobicContact CD2-CB 4.34Å; L109-I114 HydrophobicContact CD2-CD1 3.74Å; L109-I114 HydrophobicContact CD2-CG2 4.29Å; L109-I114 PolarHBondContact O-N 2.84Å; L109-L115 HydrophobicContact CB-CB 4.42Å; L109-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CG 3.91Å; L109-L115 HydrophobicContact CD1-CD1 3.73Å; L109-L115 HydrophobicContact CD1-CG 4.37Å; L109-L115 HydrophobicContact CG-CD1 4.42Å; L109-L115 PolarHBondContact O-N 3Å
110E95.3Very high94.3Very high76 Ų7694.8 Ų94.836%0.35550%0.497SS..Hα-helixtrans-62-47.2172.5-73.2-167.1174.800111.1L106 N112 G113 L115 K117L106-E110 PolarHBondContact O-N 3.16Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.47Å; E110-G113 PolarHBondContact O-N 3.31Å; E110-L115 HydrophobicContact CG-CB 4.21Å; E110-K117 WeakPolarHBondContact OE1-CE 3.44Å
111R92.6Very high93.1Very high151 Ų15194.7 Ų94.757%0.5750%0.498SS*.Hα-helixtrans-61.2-33.7176.4-80.7-177.2-92.6104-1.6113.4R67 D107 C108 G113R67-R111 PolarHBondContact NH2-O 2.83Å; D107-R111 VanDerWaalsContact CB-NH2 3.29Å; D107-R111 VanDerWaalsContact O-CB 3.3Å; D107-R111 WeakPolarHBondContact O-CB 3.34Å; D107-R111 WeakPolarHBondContact O-CG 3.46Å; D107-R111 PolarHBondContact O-N 3.31Å; D107-R111 PolarHBondContact O-NE 3.48Å; C108-R111 PolarHBondContact O-N 3.34Å; R111-G113 PolarHBondContact O-N 3.15Å
112N91.3Very high91.5Very high35 Ų35102.9 Ų102.919%0.18753%0.532CS..THydrogen-bonded Turntrans-78.5-5.6174.7-77.9-70.3000113.4R67 I68 C108 L109 E110 I114R67-N112 WeakPolarHBondContact CA-OD1 3.44Å; I68-N112 PolarHBondContact N-OD1 3.06Å; C108-N112 WeakPolarHBondContact O-CB 3.09Å; C108-N112 PolarHBondContact O-N 3.37Å; C108-N112 PolarHBondContact O-ND2 3.42Å; C108-N112 PolarHBondContact SG-ND2 2.8Å; C108-N112 VanDerWaalsContact SG-ND2 3.44Å; L109-N112 PolarHBondContact O-N 3.13Å; E110-N112 VanDerWaalsContact C-N 3.28Å; E110-N112 PolarHBondContact O-N 3.47Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 HydrophobicContact CB-CD1 3.92Å; N112-I114 HydrophobicContact CB-CG1 4.07Å
113G90.9Very high91.2Very high62 Ų62105 Ų10564%0.63954%0.54SS*.THydrogen-bonded Turntrans73.319.1-178.700000113.6L109 E110 R111L109-G113 PolarHBondContact O-N 3.19Å; E110-G113 PolarHBondContact O-N 3.31Å; R111-G113 PolarHBondContact O-N 3.15Å
114I93.1Very high90.9Very high82 Ų82106.2 Ų106.242%0.42155%0.545SS..SBendtrans-81.9-37.5178.6-63.3169.6000110.3I68 L109 N112I68-I114 HydrophobicContact CB-CD1 4.29Å; I68-I114 HydrophobicContact CD1-CD1 3.71Å; I68-I114 HydrophobicContact CG2-CD1 4.19Å; L109-I114 HydrophobicContact CB-CB 4.38Å; L109-I114 HydrophobicContact CD2-CB 4.34Å; L109-I114 HydrophobicContact CD2-CD1 3.74Å; L109-I114 HydrophobicContact CD2-CG2 4.29Å; L109-I114 PolarHBondContact O-N 2.84Å; N112-I114 VanDerWaalsContact C-N 3.27Å; N112-I114 HydrophobicContact CB-CD1 3.92Å; N112-I114 HydrophobicContact CB-CG1 4.07Å
115L94.7Very high90.5Very high76 Ų76101.8 Ų101.840%0.39854%0.537SS..  trans-114.5149.9177.2-64.4179.2000111.1L106 L109 E110L106-L115 HydrophobicContact CD2-CD1 3.95Å; L109-L115 HydrophobicContact CB-CB 4.42Å; L109-L115 HydrophobicContact CB-CD1 3.75Å; L109-L115 HydrophobicContact CB-CG 3.91Å; L109-L115 HydrophobicContact CD1-CD1 3.73Å; L109-L115 HydrophobicContact CD1-CG 4.37Å; L109-L115 HydrophobicContact CG-CD1 4.42Å; L109-L115 PolarHBondContact O-N 3Å; E110-L115 HydrophobicContact CG-CB 4.21Å
116S94.2Very high90.1Very high100 Ų100101.5 Ų101.570%0.69954%0.539SS*.  trans-140.4151.2172.362.40000110.6
117K93.9Very high89.7Confident174 Ų174102.9 Ų102.976%0.75755%0.547SS*.  trans-76.6134.4178.4-62.2-177.3-177176.40110E110E110-K117 WeakPolarHBondContact OE1-CE 3.44Å
118V93.5Very high89.3Confident106 Ų106104.3 Ų104.364%0.64255%0.554SS**  trans-129.6143.2177.5-64.60000110
119N90.7Very high89Confident145 Ų145109.1 Ų109.178%0.77558%0.576SS**SBendtrans-86.5-25.2176.2-65.2-31.5000112.1
120Y84Confident88.4Confident195 Ų195114.4 Ų114.477%0.76560%0.603SS**SBendtrans-140.4139.3-175.5-40.5-74.2000109
121S72.9Confident87.9Confident68 Ų68117.6 Ų117.648%0.47662%0.624SS.*  trans-86.8131168.164.20000109.3F88F88-S121 WeakPolarHBondContact CE1-OG 3.41Å; F88-S121 VanDerWaalsContact CZ-OG 3.31Å; F88-S121 WeakPolarHBondContact CZ-OG 3.11Å
122N62.9Low87.5Confident217 Ų217114.5 Ų114.5100%1.1663%0.629SS**  trans-64.70172.5-70-28.8000112.6

Retrieved 122 of 122 residues in 61 ms (Link to these results)