A0A087WPL4_MOUSE Loading...

Ubiquitin carboxyl-terminal hydrolase BAP1

AlphaFold DB , UniProt , Accession A0A087WPL4, Species MOUSE (Mus musculus, Mouse), Gene Bap1, Length 146 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
1M35.1Very low68.2Low232 Ų232118.2 Ų118.2100%1.14362%0.616SS**  0118.90-78.7167152.600107.4K3M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.08Å
2N38.5Very low70Confident161 Ų161111 Ų11186%0.86158%0.582SS**  trans-59.7107.3-163.8-79.9-24.6000112.3G4N2-G4 PolarHBondContact O-N 3.12Å
3K52.3Low71.7Confident179 Ų179105.1 Ų105.178%0.77856%0.564SS**  trans-84.135.4175.6-65-175176-177.90111.7M1 R136M1-K3 PolarHBondContact O-N 3.46Å; M1-K3 VanDerWaalsContact O-N 3.08Å; K3-R136 VanDerWaalsContact O-CZ 3.28Å; K3-R136 PolarHBondContact O-NH1 3.17Å; K3-R136 PolarHBondContact O-NH2 3.18Å
4G61.4Low73Confident46 Ų46101.7 Ų101.747%0.47455%0.546SS..SBendtrans-122.7157.9-17300000111.9N2 L6N2-G4 PolarHBondContact O-N 3.12Å; G4-L6 PolarHBondContact O-N 2.67Å
5W71.2Confident74.2Confident18 Ų1895.7 Ų95.77%0.06851%0.512CS..PPolyproline II helixtrans-60.6135.2171.1-7064.8000109.6I87 N89 T93 D132 Y135W5-I87 HydrophobicContact CG-CG2 4.04Å; W5-N89 HydrophobicContact CB-CB 4.22Å; W5-N89 WeakPolarHBondContact O-CB 3.48Å; W5-N89 PolarHBondContact O-ND2 2.95Å; W5-T93 HydrophobicContact CH2-CG2 3.72Å; W5-T93 HydrophobicContact CZ3-CG2 3.73Å; W5-T93 WeakPolarHBondContact CZ3-OG1 3.37Å; W5-D132 PolarHBondContact NE1-OD1 3.18Å; W5-Y135 AromaticContact CD2-CD1 3.78Å; W5-Y135 HydrophobicContact CD2-CD1 3.78Å; W5-Y135 AromaticContact CD2-CE1 3.8Å; W5-Y135 HydrophobicContact CD2-CE1 3.8Å; W5-Y135 HydrophobicContact CD2-CG 4.42Å; W5-Y135 AromaticContact CE2-CD1 3.47Å; W5-Y135 VanDerWaalsContact CE2-CD1 3.47Å; W5-Y135 AromaticContact CE2-CG 3.9Å; W5-Y135 AromaticContact CE3-CD1 3.89Å; W5-Y135 HydrophobicContact CE3-CD1 3.89Å; W5-Y135 HydrophobicContact CE3-CD2 4.47Å; W5-Y135 AromaticContact CE3-CE1 3.65Å; W5-Y135 HydrophobicContact CE3-CE1 3.65Å; W5-Y135 HydrophobicContact CE3-CE2 4.26Å; W5-Y135 HydrophobicContact CE3-CG 4.29Å; W5-Y135 AromaticContact CE3-CZ 3.84Å; W5-Y135 VanDerWaalsContact CH2-CB 3.47Å; W5-Y135 AromaticContact CH2-CD1 3.52Å; W5-Y135 HydrophobicContact CH2-CD1 3.52Å; W5-Y135 AromaticContact CH2-CD2 3.34Å; W5-Y135 HydrophobicContact CH2-CD2 3.34Å; W5-Y135 HydrophobicContact CH2-CE1 4.04Å; W5-Y135 AromaticContact CH2-CE2 3.87Å; W5-Y135 HydrophobicContact CH2-CE2 3.87Å; W5-Y135 AromaticContact CH2-CG 3.13Å; W5-Y135 HydrophobicContact CH2-CG 3.13Å; W5-Y135 AromaticContact CZ2-CD1 3.39Å; W5-Y135 HydrophobicContact CZ2-CD1 3.39Å; W5-Y135 HydrophobicContact CZ2-CD2 4.01Å; W5-Y135 HydrophobicContact CZ2-CE1 4.18Å; W5-Y135 AromaticContact CZ2-CG 3.28Å; W5-Y135 HydrophobicContact CZ2-CG 3.28Å; W5-Y135 AromaticContact CZ3-CD1 3.73Å; W5-Y135 HydrophobicContact CZ3-CD1 3.73Å; W5-Y135 AromaticContact CZ3-CD2 3.59Å; W5-Y135 HydrophobicContact CZ3-CD2 3.59Å; W5-Y135 AromaticContact CZ3-CE1 3.74Å; W5-Y135 HydrophobicContact CZ3-CE1 3.74Å; W5-Y135 AromaticContact CZ3-CE2 3.58Å; W5-Y135 HydrophobicContact CZ3-CE2 3.58Å; W5-Y135 AromaticContact CZ3-CG 3.65Å; W5-Y135 HydrophobicContact CZ3-CG 3.65Å; W5-Y135 AromaticContact CZ3-CZ 3.65Å
6L76.4Confident75.3Confident135 Ų13591.3 Ų91.371%0.70749%0.49SS*.PPolyproline II helixtrans-78.3144.4172-64.4176.2000108.8G4 L8G4-L6 PolarHBondContact O-N 2.67Å; L6-L8 PolarHBondContact O-N 3.13Å
7E75.9Confident76.2Confident164 Ų16492 Ų9277%0.76649%0.493SS*.PPolyproline II helixtrans-65.1128171-172.1172.1-172.500108.6N89E7-N89 HydrophobicContact CB-CB 4.45Å
8L79.5Confident76.9Confident50 Ų5088 Ų8826%0.26247%0.472SS..PPolyproline II helixtrans-97.3137.5178-71.3170.2000109.3L6 L14 L18 A92L6-L8 PolarHBondContact O-N 3.13Å; L8-L14 HydrophobicContact CB-CD2 4.23Å; L8-L14 HydrophobicContact CD1-CD2 4.46Å; L8-L14 HydrophobicContact CD2-CD1 4.47Å; L8-L14 HydrophobicContact CD2-CD2 3.94Å; L8-L14 HydrophobicContact CG-CD2 4.43Å; L8-L18 HydrophobicContact CD1-CD2 4.24Å; L8-A92 HydrophobicContact CB-CB 4.49Å; L8-A92 HydrophobicContact CD1-CB 4.24Å
9E84.2Confident77.5Confident156 Ų15683.4 Ų83.473%0.72945%0.447SS*.PPolyproline II helixtrans-64.8143.2170.1-66.2-171.4167.600110.1D11E9-D11 PolarHBondContact O-N 2.68Å
10S85.1Confident78.2Confident83 Ų8384.8 Ų84.858%0.5845%0.451SS*.  trans-81.864.3-179.7-63.50000110.9
11D90.2Very high78.6Confident76 Ų7687.2 Ų87.241%0.40646%0.464SS..  trans-110.7128.6-179.6179.1-96.5000110.7E9 G13 L14 F15E9-D11 PolarHBondContact O-N 2.68Å; D11-G13 VanDerWaalsContact C-N 3.26Å; D11-G13 PolarHBondContact O-N 2.69Å; D11-G13 WeakPolarHBondContact OD1-CA 3.37Å; D11-G13 PolarHBondContact OD1-N 3.17Å; D11-L14 HydrophobicContact CB-CB 4.01Å; D11-L14 PolarHBondContact O-N 3.12Å; D11-L14 PolarHBondContact OD1-N 3.4Å; D11-F15 WeakPolarHBondContact O-CG 3.45Å; D11-F15 PolarHBondContact O-N 3.32Å
12P90.7Very high81.1Confident32 Ų3276.9 Ų76.921%0.20841%0.413CS..Hα-helixtrans-63.3-30.9-179.825.1-34.2000112.9F15 T16 V29 E31P12-F15 PolarHBondContact O-N 3.13Å; P12-T16 WeakPolarHBondContact O-CB 3.45Å; P12-T16 PolarHBondContact O-N 3.47Å; P12-T16 PolarHBondContact O-OG1 3.11Å; P12-V29 HydrophobicContact CB-CG1 4.43Å; P12-V29 WeakPolarHBondContact CB-O 3.47Å; P12-E31 HydrophobicContact CB-CB 4.49Å; P12-E31 HydrophobicContact CG-CB 4.17Å
13G90.9Very high83.4Confident34 Ų3470.6 Ų70.635%0.35139%0.386SS..Hα-helixtrans-66.8-45.917500000111.6D11 F15 T16 L17D11-G13 VanDerWaalsContact C-N 3.26Å; D11-G13 PolarHBondContact O-N 2.69Å; D11-G13 WeakPolarHBondContact OD1-CA 3.37Å; D11-G13 PolarHBondContact OD1-N 3.17Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 3.2Å; G13-T16 WeakPolarHBondContact O-CB 3.36Å; G13-T16 PolarHBondContact O-N 3.49Å; G13-L17 WeakPolarHBondContact O-CG 3.44Å; G13-L17 PolarHBondContact O-N 2.89Å
14L90.4Very high85.2Confident58 Ų5862.3 Ų62.330%0.30435%0.35SS..Hα-helixtrans-60.6-40.8174.9-174.6142.2000111.9L8 D11 L17 L18L8-L14 HydrophobicContact CB-CD2 4.23Å; L8-L14 HydrophobicContact CD1-CD2 4.46Å; L8-L14 HydrophobicContact CD2-CD1 4.47Å; L8-L14 HydrophobicContact CD2-CD2 3.94Å; L8-L14 HydrophobicContact CG-CD2 4.43Å; D11-L14 HydrophobicContact CB-CB 4.01Å; D11-L14 PolarHBondContact O-N 3.12Å; D11-L14 PolarHBondContact OD1-N 3.4Å; L14-L17 PolarHBondContact O-N 3.24Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 PolarHBondContact O-N 2.78Å
15F91.4Very high86.5Confident11 Ų1167.1 Ų67.15%0.04836%0.358CS..Hα-helixtrans-67.3-36.2175.3-64.1-19.4000112.8D11 P12 G13 L18 V19 V29 L49 A92 L96D11-F15 WeakPolarHBondContact O-CG 3.45Å; D11-F15 PolarHBondContact O-N 3.32Å; P12-F15 PolarHBondContact O-N 3.13Å; G13-F15 VanDerWaalsContact C-N 3.32Å; G13-F15 PolarHBondContact O-N 3.2Å; F15-L18 PolarHBondContact O-N 2.8Å; F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.3Å; F15-V29 HydrophobicContact CB-CB 3.99Å; F15-V29 HydrophobicContact CB-CG1 4.03Å; F15-V29 HydrophobicContact CB-CG2 3.88Å; F15-V29 HydrophobicContact CD2-CG1 4.11Å; F15-L49 HydrophobicContact CE2-CD1 4.01Å; F15-L49 HydrophobicContact CZ-CD1 4.35Å; F15-A92 HydrophobicContact CD1-CB 4.28Å; F15-A92 HydrophobicContact CE1-CB 3.43Å; F15-A92 VanDerWaalsContact CE1-CB 3.43Å; F15-A92 HydrophobicContact CZ-CB 3.79Å; F15-L96 HydrophobicContact CB-CD1 4.06Å; F15-L96 HydrophobicContact CB-CD2 4.39Å; F15-L96 HydrophobicContact CD1-CD1 4.18Å; F15-L96 HydrophobicContact CG-CD1 4.16Å
16T91.9Very high87.3Confident26 Ų2669.9 Ų69.916%0.1639%0.392CS..Hα-helixtrans-63-47.9174.8-59.60000110.8P12 G13 L18 V19 E20 Q28 V29P12-T16 WeakPolarHBondContact O-CB 3.45Å; P12-T16 PolarHBondContact O-N 3.47Å; P12-T16 PolarHBondContact O-OG1 3.11Å; G13-T16 WeakPolarHBondContact O-CB 3.36Å; G13-T16 PolarHBondContact O-N 3.49Å; T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 2.76Å; T16-V19 PolarHBondContact O-N 3.43Å; T16-V19 VanDerWaalsContact O-N 3.16Å; T16-E20 WeakPolarHBondContact O-CG 3.37Å; T16-E20 PolarHBondContact O-N 3.21Å; T16-Q28 HydrophobicContact CG2-CB 4.18Å; T16-V29 PolarHBondContact OG1-N 3.47Å; T16-V29 PolarHBondContact OG1-O 3.23Å
17L90.1Very high88.1Confident103 Ų10364.4 Ų64.454%0.53936%0.364SS..Hα-helixtrans-59.1-42.1175.4-68.9173.5000112G13 L14 V19 E20 D21G13-L17 WeakPolarHBondContact O-CG 3.44Å; G13-L17 PolarHBondContact O-N 2.89Å; L14-L17 PolarHBondContact O-N 3.24Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 2.73Å; L17-E20 WeakPolarHBondContact O-CB 3.32Å; L17-E20 PolarHBondContact O-N 3.02Å; L17-D21 WeakPolarHBondContact O-CB 3.15Å; L17-D21 PolarHBondContact O-N 3.34Å
18L88.1Confident88.9Confident20 Ų2062.7 Ų62.711%0.10536%0.356CS..Hα-helixtrans-63.3-37.3177.9-17766.3000112.4L8 L14 F15 T16 D21 F22 L96L8-L18 HydrophobicContact CD1-CD2 4.24Å; L14-L18 WeakPolarHBondContact O-CB 3.4Å; L14-L18 PolarHBondContact O-N 2.78Å; F15-L18 PolarHBondContact O-N 2.8Å; T16-L18 VanDerWaalsContact C-N 3.31Å; T16-L18 PolarHBondContact O-N 2.76Å; L18-D21 PolarHBondContact O-N 3.31Å; L18-F22 HydrophobicContact CD1-CE1 3.95Å; L18-F22 HydrophobicContact CD1-CE2 4.17Å; L18-F22 HydrophobicContact CD1-CZ 3.59Å; L18-F22 HydrophobicContact CD2-CE2 4.17Å; L18-F22 HydrophobicContact CD2-CZ 4.09Å; L18-F22 HydrophobicContact CG-CD2 4.48Å; L18-F22 HydrophobicContact CG-CE1 4.39Å; L18-F22 HydrophobicContact CG-CE2 3.7Å; L18-F22 HydrophobicContact CG-CZ 3.64Å; L18-F22 VanDerWaalsContact O-CD2 3.26Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 VanDerWaalsContact O-CG 3.31Å; L18-F22 WeakPolarHBondContact O-CG 3.25Å; L18-F22 PolarHBondContact O-N 3.4Å; L18-F22 VanDerWaalsContact O-N 3.11Å; L18-L96 HydrophobicContact CD2-CD1 3.85Å
19V89.8Confident89.5Confident1 Ų161.9 Ų61.91%0.00635%0.353CS..Hα-helixtrans-67-41.4175.4169.80000110.9F15 T16 L17 F22 V24 V27 V29 L96 L100F15-V19 VanDerWaalsContact O-CG2 3.27Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 3.3Å; T16-V19 PolarHBondContact O-N 3.43Å; T16-V19 VanDerWaalsContact O-N 3.16Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 2.73Å; V19-F22 PolarHBondContact O-N 3.22Å; V19-V24 HydrophobicContact CG1-CB 3.6Å; V19-V24 HydrophobicContact CG1-CG1 3.79Å; V19-V24 HydrophobicContact CG1-CG2 4.2Å; V19-V24 WeakPolarHBondContact O-CB 3.38Å; V19-V24 PolarHBondContact O-N 3.46Å; V19-V27 HydrophobicContact CG1-CB 4.13Å; V19-V27 HydrophobicContact CG1-CG1 4.23Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V19-L96 HydrophobicContact CG2-CD1 4.38Å; V19-L96 HydrophobicContact CG2-CD2 4Å; V19-L100 HydrophobicContact CG1-CD1 4.37Å; V19-L100 HydrophobicContact CG2-CD1 4.14Å
20E90.1Very high89.9Confident111 Ų11159.9 Ų59.952%0.51934%0.344SS..Hα-helixtrans-62.8-41.7173.5-69.5-178163.900111.9T16 L17 F22 G23T16-E20 WeakPolarHBondContact O-CG 3.37Å; T16-E20 PolarHBondContact O-N 3.21Å; L17-E20 WeakPolarHBondContact O-CB 3.32Å; L17-E20 PolarHBondContact O-N 3.02Å; E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 PolarHBondContact O-N 2.92Å; E20-G23 WeakPolarHBondContact O-CA 3.43Å; E20-G23 PolarHBondContact O-N 3.42Å
21D87.6Confident90.2Very high135 Ų13560.9 Ų60.972%0.72234%0.339SS*.Hα-helixtrans-63.1-31.1176.5-80.4-14.3000112.6L17 L18 G23L17-D21 WeakPolarHBondContact O-CB 3.15Å; L17-D21 PolarHBondContact O-N 3.34Å; L18-D21 PolarHBondContact O-N 3.31Å; D21-G23 PolarHBondContact O-N 2.94Å
22F86.4Confident90.2Very high16 Ų1660.6 Ų60.67%0.0734%0.337CS..THydrogen-bonded Turntrans-70.4-8.9170.9-63.5-31.8000113.5L18 V19 E20 V24 T93 L97 L112L18-F22 HydrophobicContact CD1-CE1 3.95Å; L18-F22 HydrophobicContact CD1-CE2 4.17Å; L18-F22 HydrophobicContact CD1-CZ 3.59Å; L18-F22 HydrophobicContact CD2-CE2 4.17Å; L18-F22 HydrophobicContact CD2-CZ 4.09Å; L18-F22 HydrophobicContact CG-CD2 4.48Å; L18-F22 HydrophobicContact CG-CE1 4.39Å; L18-F22 HydrophobicContact CG-CE2 3.7Å; L18-F22 HydrophobicContact CG-CZ 3.64Å; L18-F22 VanDerWaalsContact O-CD2 3.26Å; L18-F22 WeakPolarHBondContact O-CD2 3.48Å; L18-F22 VanDerWaalsContact O-CG 3.31Å; L18-F22 WeakPolarHBondContact O-CG 3.25Å; L18-F22 PolarHBondContact O-N 3.4Å; L18-F22 VanDerWaalsContact O-N 3.11Å; V19-F22 PolarHBondContact O-N 3.22Å; E20-F22 VanDerWaalsContact C-N 3.27Å; E20-F22 PolarHBondContact O-N 2.92Å; F22-V24 HydrophobicContact CB-CG2 4.28Å; F22-T93 HydrophobicContact CE2-CG2 4.06Å; F22-T93 HydrophobicContact CZ-CG2 3.57Å; F22-L97 HydrophobicContact CD2-CD2 4.23Å; F22-L97 HydrophobicContact CE2-CD2 4.21Å; F22-L97 HydrophobicContact CE2-CG 4.49Å; F22-L112 HydrophobicContact CB-CD1 3.95Å; F22-L112 HydrophobicContact CB-CD2 4.38Å; F22-L112 HydrophobicContact CB-CG 4.17Å
23G87.4Confident90.1Very high29 Ų2968.4 Ų68.430%0.29936%0.364SS..THydrogen-bonded Turntrans86.112.8-179.200000113.9E20 D21E20-G23 WeakPolarHBondContact O-CA 3.43Å; E20-G23 PolarHBondContact O-N 3.42Å; D21-G23 PolarHBondContact O-N 2.94Å
24V90.9Very high90Very high5 Ų570.7 Ų70.73%0.0337%0.368CS..  trans-76.6138.7175.8-177.70000109.3V19 F22 V27 L100 V106 D107 L112V19-V24 HydrophobicContact CG1-CB 3.6Å; V19-V24 HydrophobicContact CG1-CG1 3.79Å; V19-V24 HydrophobicContact CG1-CG2 4.2Å; V19-V24 WeakPolarHBondContact O-CB 3.38Å; V19-V24 PolarHBondContact O-N 3.46Å; F22-V24 HydrophobicContact CB-CG2 4.28Å; V24-V27 HydrophobicContact CG1-CB 4.11Å; V24-V27 HydrophobicContact CG1-CG2 3.81Å; V24-L100 HydrophobicContact CG1-CD2 4.14Å; V24-L100 HydrophobicContact CG2-CD1 4.21Å; V24-V106 HydrophobicContact CG1-CG1 3.58Å; V24-D107 WeakPolarHBondContact CA-O 3.37Å; V24-D107 WeakPolarHBondContact CG1-O 3.48Å; V24-L112 HydrophobicContact CG2-CD1 3.43Å; V24-L112 VanDerWaalsContact CG2-CD1 3.43Å
25K88.4Confident89.8Confident147 Ų14775.2 Ų75.264%0.63939%0.391SS*.BIsolated β-bridgetrans-119.2145.2-177.4-63.7-178.2-177.8177.90112.1V27 D107K25-V27 VanDerWaalsContact C-N 3.31Å; K25-V27 PolarHBondContact O-N 3.01Å; K25-D107 PolarHBondContact N-O 3.44Å; K25-D107 VanDerWaalsContact N-O 3.13Å
26G88.4Confident89.6Confident76 Ų7683 Ų8378%0.78443%0.428SS*.SBendtrans71.524.8174.100000114
27V92.1Very high89.2Confident19 Ų1984.8 Ų84.812%0.11544%0.441CS..  trans-125.1134.6175.9-179.90000108.4V19 V24 K25 Y44 L100 V106V19-V27 HydrophobicContact CG1-CB 4.13Å; V19-V27 HydrophobicContact CG1-CG1 4.23Å; V24-V27 HydrophobicContact CG1-CB 4.11Å; V24-V27 HydrophobicContact CG1-CG2 3.81Å; K25-V27 VanDerWaalsContact C-N 3.31Å; K25-V27 PolarHBondContact O-N 3.01Å; V27-Y44 HydrophobicContact CG1-CD2 4.39Å; V27-Y44 HydrophobicContact CG2-CD2 4.33Å; V27-Y44 HydrophobicContact CG2-CE2 4.01Å; V27-L100 HydrophobicContact CG1-CD2 4.24Å; V27-L100 HydrophobicContact CG2-CD2 4.47Å; V27-V106 HydrophobicContact CG2-CB 4.44Å; V27-V106 HydrophobicContact CG2-CG1 3.56Å; V27-V106 HydrophobicContact CG2-CG2 4.04Å
28Q92.2Very high88.8Confident129 Ų12989.1 Ų89.160%0.60346%0.456SS*.  trans-129.4156.2172.171.1-169.412.100109.5T16 E30T16-Q28 HydrophobicContact CG2-CB 4.18Å; Q28-E30 HydrophobicContact CG-CG 4.38Å; Q28-E30 PolarHBondContact NE2-OE1 3.39Å
29V92.9Very high88.6Confident33 Ų3391 Ų9120%0.247%0.47CS..  trans-107.1127.2176.3-176.60000108.5P12 F15 T16 V19 L96P12-V29 HydrophobicContact CB-CG1 4.43Å; P12-V29 WeakPolarHBondContact CB-O 3.47Å; F15-V29 HydrophobicContact CB-CB 3.99Å; F15-V29 HydrophobicContact CB-CG1 4.03Å; F15-V29 HydrophobicContact CB-CG2 3.88Å; F15-V29 HydrophobicContact CD2-CG1 4.11Å; T16-V29 PolarHBondContact OG1-N 3.47Å; T16-V29 PolarHBondContact OG1-O 3.23Å; V19-V29 HydrophobicContact CG2-CG2 4.45Å; V29-L96 HydrophobicContact CG2-CD2 3.88Å
30E92.1Very high88Confident113 Ų11399.5 Ų99.553%0.52851%0.51SS..  trans-120140.5177.7-69.3-178.9-174.100110Q28Q28-E30 HydrophobicContact CG-CG 4.38Å; Q28-E30 PolarHBondContact NE2-OE1 3.39Å
31E91.6Very high87.7Confident105 Ų10596.8 Ų96.849%0.49151%0.511SS..  trans-81.9134171.1-172.7174-158.800110.1P12 Y33P12-E31 HydrophobicContact CB-CB 4.49Å; P12-E31 HydrophobicContact CG-CB 4.17Å; E31-Y33 HydrophobicContact CG-CE1 4.02Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.25Å; E31-Y33 PolarHBondContact OE2-OH 2.83Å
32I90.6Very high87.7Confident70 Ų7095.2 Ų95.236%0.35951%0.509SS..  trans-100.7108.3179.3-59.2176.5000109D34 F46I32-D34 WeakPolarHBondContact CG2-O 3.46Å; I32-F46 HydrophobicContact CD1-CD1 3.57Å; I32-F46 HydrophobicContact CD1-CE1 3.43Å; I32-F46 VanDerWaalsContact CD1-CE1 3.43Å
33Y88.1Confident87.9Confident195 Ų19598 Ų9877%0.76553%0.527SS*.SBendtrans-82.4-31.5176.7-61.9-68.7000113.4E31E31-Y33 HydrophobicContact CG-CE1 4.02Å; E31-Y33 WeakPolarHBondContact OE2-CE1 3.25Å; E31-Y33 PolarHBondContact OE2-OH 2.83Å
34D89.8Confident88.1Confident83 Ų83100.4 Ų100.444%0.44453%0.527SS..  trans-132.1118.7-179.9-179.16.7000110.8I32 Q36 S37I32-D34 WeakPolarHBondContact CG2-O 3.46Å; D34-Q36 PolarHBondContact O-N 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.22Å; D34-Q36 PolarHBondContact OD1-N 3Å; D34-S37 WeakPolarHBondContact O-CB 3.42Å; D34-S37 PolarHBondContact O-N 3.45Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact O-OG 3.12Å
35L85.4Confident88.2Confident152 Ų152101.9 Ų101.980%0.79654%0.544SS*.THydrogen-bonded Turntrans-65.8-17.8178.4-67.4170.9000113.4
36Q86.7Confident88.3Confident176 Ų176100.5 Ų100.582%0.82254%0.538SS*.THydrogen-bonded Turntrans-87.1-15.2176.9-59.1-173.6-13.500112.4D34D34-Q36 PolarHBondContact O-N 3.31Å; D34-Q36 WeakPolarHBondContact OD1-CB 3.22Å; D34-Q36 PolarHBondContact OD1-N 3Å
37S84.9Confident88.5Confident62 Ų6299.8 Ų99.843%0.43452%0.516SS..SBendtrans-69145.8177.973.90000111.1D34D34-S37 WeakPolarHBondContact O-CB 3.42Å; D34-S37 PolarHBondContact O-N 3.45Å; D34-S37 VanDerWaalsContact O-N 3.12Å; D34-S37 PolarHBondContact O-OG 3.12Å
38K80.6Confident88.4Confident194 Ų194106.5 Ų106.584%0.84354%0.544SS*.PPolyproline II helixtrans-82.6125.3176.5-66.9-177.6179.5179.80109.2
39C84.4Confident88.1Confident59 Ų59104.8 Ų104.840%0.39954%0.538SS..PPolyproline II helixtrans-63.4135.5169.7-56.20000109.9G41 V43C39-G41 PolarHBondContact O-N 3.4Å; C39-V43 HydrophobicContact CB-CG2 3.44Å; C39-V43 VanDerWaalsContact CB-CG2 3.44Å
40Q77.4Confident87.6Confident180 Ų180110.1 Ų110.184%0.84156%0.559SS**SBendtrans-86.4109.2177.3-62.1-171.415.100109.2
41G83.2Confident86.9Confident54 Ų54113.4 Ų113.456%0.55757%0.571SS**SBendtrans96.5-169.2177.100000114.6C39C39-G41 PolarHBondContact O-N 3.4Å
42P88.3Confident85.8Confident103 Ų103115.7 Ų115.767%0.66958%0.576SS**  trans-71.3130.8-177.829.3-33.3000111.1
43V91Very high84.8Confident73 Ų73115.7 Ų115.744%0.44258%0.576SS.*  trans-100.9120.6175.4-178.60000109.4C39 F46C39-V43 HydrophobicContact CB-CG2 3.44Å; C39-V43 VanDerWaalsContact CB-CG2 3.44Å; V43-F46 HydrophobicContact CG1-CD2 4.46Å; V43-F46 HydrophobicContact CG1-CE1 4.06Å; V43-F46 HydrophobicContact CG1-CE2 3.86Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å
44Y91.9Very high83.7Confident80 Ų80113.8 Ų113.831%0.31457%0.574SS.*  trans-86.3-30.3179.9-60.1-68.7000113V27 N105 V106V27-Y44 HydrophobicContact CG1-CD2 4.39Å; V27-Y44 HydrophobicContact CG2-CD2 4.33Å; V27-Y44 HydrophobicContact CG2-CE2 4.01Å; Y44-N105 HydrophobicContact CE1-CB 4.32Å; Y44-V106 HydrophobicContact CD1-CG2 3.39Å; Y44-V106 HydrophobicContact CD2-CG2 4.32Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.31Å; Y44-V106 HydrophobicContact CG-CG2 3.88Å
45G91.7Very high82.4Confident37 Ų37116 Ų11638%0.38158%0.581SS.*  trans175.8175.5177.800000111.9
46F91.8Very high81.1Confident117 Ų117115 Ų11551%0.51357%0.567SS.*  trans-123140.4178.5-61.9-83.7000109.9I32 V43 F48I32-F46 HydrophobicContact CD1-CD1 3.57Å; I32-F46 HydrophobicContact CD1-CE1 3.43Å; I32-F46 VanDerWaalsContact CD1-CE1 3.43Å; V43-F46 HydrophobicContact CG1-CD2 4.46Å; V43-F46 HydrophobicContact CG1-CE1 4.06Å; V43-F46 HydrophobicContact CG1-CE2 3.86Å; V43-F46 HydrophobicContact CG1-CZ 3.65Å; F46-F48 HydrophobicContact CB-CE2 4.05Å
47I91.4Very high79.8Confident62 Ų62113 Ų11332%0.31855%0.552SS.*  trans-115.2121.4175.6-59.9177.1000107.9L49 A95 L96 V99I47-L49 HydrophobicContact CG2-CD2 4.35Å; I47-L49 HydrophobicContact CG2-CG 4.36Å; I47-A95 HydrophobicContact CD1-CB 4.2Å; I47-A95 HydrophobicContact CG1-CB 4.4Å; I47-A95 HydrophobicContact CG2-CB 3.74Å; I47-L96 HydrophobicContact CD1-CD2 3.6Å; I47-L96 HydrophobicContact CD1-CG 3.95Å; I47-V99 HydrophobicContact CD1-CG2 4.49Å; I47-V99 HydrophobicContact CG1-CG2 4.04Å
48F90.3Very high78.1Confident160 Ų160113.1 Ų113.170%0.70255%0.553SS**  trans-98.3111.8177-71.5-87.6000110.1F46F46-F48 HydrophobicContact CB-CE2 4.05Å
49L85.8Confident76.7Confident93 Ų93110.8 Ų110.849%0.48754%0.539SS..  trans-95.8126.2172.3-63.7170.7000109.1F15 I47F15-L49 HydrophobicContact CE2-CD1 4.01Å; F15-L49 HydrophobicContact CZ-CD1 4.35Å; I47-L49 HydrophobicContact CG2-CD2 4.35Å; I47-L49 HydrophobicContact CG2-CG 4.36Å
50F83.3Confident75.2Confident144 Ų144116.5 Ų116.563%0.63255%0.552SS**  trans-136.1143.7174.458.2-89000109.3W52F50-W52 PolarHBondContact O-N 3.2Å
51K77.2Confident73.8Confident182 Ų182114.9 Ų114.979%0.79154%0.542SS*.  trans-60.8129172.1-173.4171.9-178.3171.80108.9I53K51-I53 PolarHBondContact O-N 3.47Å
52W67.6Low71.9Confident153 Ų153118.4 Ų118.458%0.5855%0.552SS**  trans-59.9120.8174.3-177-95.5000110.1F50 R57F50-W52 PolarHBondContact O-N 3.2Å; W52-R57 VanDerWaalsContact CH2-NH1 3.34Å; W52-R57 HydrophobicContact CZ2-CB 4.33Å; W52-R57 VanDerWaalsContact CZ2-CD 3.47Å; W52-R57 HydrophobicContact CZ2-CG 4.48Å
53I70.6Confident69.9Low70 Ų70116.7 Ų116.736%0.35954%0.543SS..  trans-121.3105.3177.1-63165.7000107.2K51 E55 R56K51-I53 PolarHBondContact O-N 3.47Å; I53-E55 VanDerWaalsContact C-N 3.26Å; I53-E55 HydrophobicContact CG2-CB 4.26Å; I53-E55 PolarHBondContact O-N 3.24Å; I53-R56 HydrophobicContact CB-CG 4.43Å; I53-R56 HydrophobicContact CG2-CG 4.27Å; I53-R56 WeakPolarHBondContact O-CB 3.49Å; I53-R56 PolarHBondContact O-N 3.31Å
54E65.4Low67.8Low156 Ų156119.4 Ų119.473%0.72956%0.56SS**Hα-helixtrans-57.8-36.9-172.7-167.2163.8-159.400113R56 R57 S58E54-R56 PolarHBondContact O-N 3Å; E54-R57 PolarHBondContact O-N 3.22Å; E54-S58 PolarHBondContact O-N 2.85Å
55E62.5Low65.6Low129 Ų129122 Ų12260%0.60358%0.578SS**Hα-helixtrans-63-18.6175.9-159.3-166.6-166.600114I53 S58 R59I53-E55 VanDerWaalsContact C-N 3.26Å; I53-E55 HydrophobicContact CG2-CB 4.26Å; I53-E55 PolarHBondContact O-N 3.24Å; E55-S58 PolarHBondContact O-OG 3.26Å; E55-S58 VanDerWaalsContact O-OG 3.08Å; E55-R59 PolarHBondContact O-NE 2.86Å; E55-R59 IonicContact OE2-NH2 3.11Å
56R57.9Low63.7Low132 Ų132124.8 Ų124.850%0.49859%0.588SS.*Hα-helixtrans-82.6-29171.9-77.7-175.916083-3.3112.1I53 E54 R60I53-R56 HydrophobicContact CB-CG 4.43Å; I53-R56 HydrophobicContact CG2-CG 4.27Å; I53-R56 WeakPolarHBondContact O-CB 3.49Å; I53-R56 PolarHBondContact O-N 3.31Å; E54-R56 PolarHBondContact O-N 3Å; R56-R60 PolarHBondContact O-N 2.76Å
57R57.7Low61.9Low134 Ų134124.1 Ų124.151%0.50659%0.59SS.*Hα-helixtrans-74-38176.4-172.3176.6-173.5164.80.9111.7W52 E54 R59 R60 K61W52-R57 VanDerWaalsContact CH2-NH1 3.34Å; W52-R57 HydrophobicContact CZ2-CB 4.33Å; W52-R57 VanDerWaalsContact CZ2-CD 3.47Å; W52-R57 HydrophobicContact CZ2-CG 4.48Å; E54-R57 PolarHBondContact O-N 3.22Å; R57-R59 VanDerWaalsContact C-N 3.29Å; R57-R59 PolarHBondContact O-N 3.48Å; R57-R60 PolarHBondContact O-N 2.87Å; R57-K61 WeakPolarHBondContact O-CB 3.33Å; R57-K61 WeakPolarHBondContact O-CG 3.49Å; R57-K61 PolarHBondContact O-N 3.28Å
58S50.7Low60.3Low64 Ų64129.5 Ų129.545%0.44862%0.619SS.*Hα-helixtrans-60.9-39.5175.158.90000111.6E54 E55 K61E54-S58 PolarHBondContact O-N 2.85Å; E55-S58 PolarHBondContact O-OG 3.26Å; E55-S58 VanDerWaalsContact O-OG 3.08Å; S58-K61 PolarHBondContact O-N 3.17Å
59R50.5Low59.1Low144 Ų144127.4 Ų127.454%0.54362%0.619SS.*Hα-helixtrans-64.3-40.3172.4-77.4-178.3-80.1-163.5-9.3113.5E55 R57 V62E55-R59 PolarHBondContact O-NE 2.86Å; E55-R59 IonicContact OE2-NH2 3.11Å; R57-R59 VanDerWaalsContact C-N 3.29Å; R57-R59 PolarHBondContact O-N 3.48Å; R59-V62 PolarHBondContact O-N 2.97Å
60R52.3Low58.4Low180 Ų180125.5 Ų125.568%0.67961%0.614SS**Hα-helixtrans-73.2-27.6175.2-71.4-177-167.2157.42.6113.5R56 R57 V62 S63R56-R60 PolarHBondContact O-N 2.76Å; R57-R60 PolarHBondContact O-N 2.87Å; R60-V62 PolarHBondContact O-N 3.12Å; R60-S63 PolarHBondContact O-N 2.88Å; R60-S63 VanDerWaalsContact O-N 3.15Å
61K48.2Very low57.9Low146 Ų146122.7 Ų122.764%0.63561%0.608SS**THydrogen-bonded Turntrans-66.3-14.7172.3-83-174.3175.1-175.70113.4R57 S58R57-K61 WeakPolarHBondContact O-CB 3.33Å; R57-K61 WeakPolarHBondContact O-CG 3.49Å; R57-K61 PolarHBondContact O-N 3.28Å; S58-K61 PolarHBondContact O-N 3.17Å
62V44Very low57.9Low127 Ų127119.7 Ų119.777%0.7760%0.6SS**THydrogen-bonded Turntrans-86.8-7.7174.9178.10000112.4R59 R60R59-V62 PolarHBondContact O-N 2.97Å; R60-V62 PolarHBondContact O-N 3.12Å
63S45.8Very low58.4Low67 Ų67116.3 Ų116.347%0.46959%0.593SS.*  trans-106.276.3166.5-170.90000109.7R60 L65R60-S63 PolarHBondContact O-N 2.88Å; R60-S63 VanDerWaalsContact O-N 3.15Å; S63-L65 PolarHBondContact O-N 3.2Å; S63-L65 PolarHBondContact OG-O 2.81Å
64T46.3Very low58.6Low130 Ų130118.6 Ų118.680%0.79861%0.606SS**  trans-73.721.3156.346.80000111.6V66T64-V66 PolarHBondContact O-N 3.43Å
65L47.7Very low59.2Low135 Ų135117.2 Ų117.271%0.70760%0.604SS**SBendtrans-84.2103.9159.5-59.3176.3000104.6S63 D67S63-L65 PolarHBondContact O-N 3.2Å; S63-L65 PolarHBondContact OG-O 2.81Å; L65-D67 PolarHBondContact O-N 3.24Å
66V51.3Low60Low96 Ų96115 Ų11558%0.58260%0.595SS**  trans-39.394.8144.61770000105.4T64 S70 I72T64-V66 PolarHBondContact O-N 3.43Å; V66-S70 WeakPolarHBondContact CG1-OG 3.39Å; V66-I72 HydrophobicContact CG1-CD1 3.3Å; V66-I72 HydrophobicContact CG1-CG1 4.12Å
67D54.1Low61Low103 Ų103109.6 Ų109.655%0.55158%0.577SS**  trans-60.6143.5179.9-151.92.6000105.7L65 T69 S70L65-D67 PolarHBondContact O-N 3.24Å; D67-T69 PolarHBondContact O-N 3.48Å; D67-S70 PolarHBondContact O-N 3.17Å; D67-S70 PolarHBondContact O-OG 3.34Å
68D58.3Low61.9Low174 Ų174106 Ų10693%0.9357%0.568SS**THydrogen-bonded Turntrans-57.9-6.7-177.3-72.8-33.6000112.8
69T64Low63.4Low116 Ų116110.2 Ų110.271%0.71259%0.585SS**THydrogen-bonded Turntrans-92.3-6.1177.560.80000114.4D67D67-T69 PolarHBondContact O-N 3.48Å
70S70.2Confident65.1Low54 Ų54106.8 Ų106.838%0.37858%0.576SS.*  trans-82.8134.4-179.159.20000112.3V66 D67 I72V66-S70 WeakPolarHBondContact CG1-OG 3.39Å; D67-S70 PolarHBondContact O-N 3.17Å; D67-S70 PolarHBondContact O-OG 3.34Å; S70-I72 PolarHBondContact O-N 3.34Å
71V74.4Confident66.8Low84 Ų8498.9 Ų98.951%0.50955%0.547SS..  trans-87.2111.3178.2-179.20000108.8I76 V77V71-I76 HydrophobicContact CG1-CB 3.86Å; V71-I76 HydrophobicContact CG1-CD1 4.38Å; V71-I76 HydrophobicContact CG1-CG2 3.66Å; V71-V77 HydrophobicContact CG1-CG2 4.1Å
72I75.5Confident68.7Low120 Ų12096.4 Ų96.462%0.61554%0.536SS*.  trans-109.4-10.1178.6-38.9168.8000111V66 S70 D74V66-I72 HydrophobicContact CG1-CD1 3.3Å; V66-I72 HydrophobicContact CG1-CG1 4.12Å; S70-I72 PolarHBondContact O-N 3.34Å; I72-D74 PolarHBondContact O-N 2.88Å; I72-D74 VanDerWaalsContact O-N 3.17Å
73D80Confident70.7Confident82 Ų8290.6 Ų90.644%0.43950%0.502SS..  trans-68.6113.3-179.6-169.6-36.1000110.2D75 I76 V77D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 WeakPolarHBondContact OD1-CB 3.33Å; D73-D75 PolarHBondContact OD1-N 2.73Å; D73-I76 HydrophobicContact CB-CB 4.23Å; D73-I76 HydrophobicContact CB-CD1 3.85Å; D73-I76 HydrophobicContact CB-CG1 3.92Å; D73-I76 PolarHBondContact O-N 3.02Å; D73-I76 VanDerWaalsContact O-N 3.12Å; D73-V77 WeakPolarHBondContact O-CG2 3.11Å; D73-V77 PolarHBondContact O-N 3.01Å
74D73.9Confident72.5Confident117 Ų11791 Ų9163%0.62650%0.496SS*.Hα-helixtrans-59.3-32.2-179.3-75.5-36.4000112.1I72 I76 V77 N78I72-D74 PolarHBondContact O-N 2.88Å; I72-D74 VanDerWaalsContact O-N 3.17Å; D74-I76 VanDerWaalsContact C-N 3.33Å; D74-I76 PolarHBondContact O-N 3.16Å; D74-V77 PolarHBondContact O-N 2.89Å; D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.33Å; D74-N78 PolarHBondContact O-ND2 3.02Å
75D77.7Confident74.2Confident128 Ų12889.1 Ų89.168%0.68448%0.478SS*.Hα-helixtrans-68.2-37.3178.9-70.7-29.6000110.8D73 N79D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 WeakPolarHBondContact OD1-CB 3.33Å; D73-D75 PolarHBondContact OD1-N 2.73Å; D75-N79 WeakPolarHBondContact O-CB 3.42Å; D75-N79 PolarHBondContact O-N 3.39Å; D75-N79 VanDerWaalsContact O-N 3.11Å
76I80.3Confident75.7Confident82 Ų8288 Ų8842%0.42147%0.472SS..Hα-helixtrans-71.3-44.8175.9-57.4179.9000110.3V71 D73 D74 N78 N79 M80V71-I76 HydrophobicContact CG1-CB 3.86Å; V71-I76 HydrophobicContact CG1-CD1 4.38Å; V71-I76 HydrophobicContact CG1-CG2 3.66Å; D73-I76 HydrophobicContact CB-CB 4.23Å; D73-I76 HydrophobicContact CB-CD1 3.85Å; D73-I76 HydrophobicContact CB-CG1 3.92Å; D73-I76 PolarHBondContact O-N 3.02Å; D73-I76 VanDerWaalsContact O-N 3.12Å; D74-I76 VanDerWaalsContact C-N 3.33Å; D74-I76 PolarHBondContact O-N 3.16Å; I76-N78 VanDerWaalsContact C-N 3.27Å; I76-N78 PolarHBondContact O-N 3.17Å; I76-N79 PolarHBondContact O-N 2.96Å; I76-M80 HydrophobicContact CG2-CE 3.86Å; I76-M80 PolarHBondContact O-N 2.69Å
77V78.1Confident76.9Confident19 Ų1984.6 Ų84.612%0.11545%0.45CS..Hα-helixtrans-66.6-29.4178.7175.90000112.1V71 D73 D74 P124 R127V71-V77 HydrophobicContact CG1-CG2 4.1Å; D73-V77 WeakPolarHBondContact O-CG2 3.11Å; D73-V77 PolarHBondContact O-N 3.01Å; D74-V77 PolarHBondContact O-N 2.89Å; V77-P124 HydrophobicContact CG1-CG 4.13Å; V77-R127 PolarHBondContact O-NH1 3.38Å; V77-R127 PolarHBondContact O-NH2 3.29Å
78N76.7Confident78Confident58 Ų5884 Ų8431%0.3145%0.452SS..Hα-helixtrans-79.4-23.8174.6-74.4-38.8000113.4D74 I76 R127D74-N78 WeakPolarHBondContact O-CB 3.41Å; D74-N78 PolarHBondContact O-N 3.33Å; D74-N78 PolarHBondContact O-ND2 3.02Å; I76-N78 VanDerWaalsContact C-N 3.27Å; I76-N78 PolarHBondContact O-N 3.17Å; N78-R127 PolarHBondContact OD1-NH2 2.92Å
79N81.8Confident79Confident152 Ų15279.3 Ų79.381%0.81343%0.427SS*.Hα-helixtrans-80.6-21.2174.5-163.624.4000112.9D75 I76D75-N79 WeakPolarHBondContact O-CB 3.42Å; D75-N79 PolarHBondContact O-N 3.39Å; D75-N79 VanDerWaalsContact O-N 3.11Å; I76-N79 PolarHBondContact O-N 2.96Å
80M86.7Confident79.9Confident73 Ų7373.9 Ų73.936%0.3639%0.394SS..SBendtrans-102.9154.4172.171.6177.167.600112.4I76 F82 R127I76-M80 HydrophobicContact CG2-CE 3.86Å; I76-M80 PolarHBondContact O-N 2.69Å; M80-F82 HydrophobicContact CG-CB 4.19Å; M80-F82 PolarHBondContact O-N 3.36Å; M80-F82 HydrophobicContact SD-CB 4.27Å; M80-R127 PolarHBondContact O-NH1 3.36Å
81F87.1Confident80.6Confident14 Ų1474.6 Ų74.66%0.06140%0.398CS..  trans-82.8104.1166-170.7-89.2000109.8A83 L101 N102 L131F81-A83 HydrophobicContact CE1-CB 4.13Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; F81-L101 HydrophobicContact CB-CB 3.8Å; F81-L101 HydrophobicContact CD1-CB 3.88Å; F81-L101 HydrophobicContact CD1-CD1 3.6Å; F81-L101 HydrophobicContact CD1-CG 4.38Å; F81-L101 HydrophobicContact CD2-CB 4.18Å; F81-L101 HydrophobicContact CD2-CD1 3.79Å; F81-L101 HydrophobicContact CE1-CD1 3.42Å; F81-L101 VanDerWaalsContact CE1-CD1 3.42Å; F81-L101 HydrophobicContact CE2-CD1 3.61Å; F81-L101 HydrophobicContact CG-CB 3.66Å; F81-L101 HydrophobicContact CG-CD1 3.78Å; F81-L101 HydrophobicContact CG-CG 4.37Å; F81-L101 HydrophobicContact CZ-CD1 3.42Å; F81-L101 VanDerWaalsContact CZ-CD1 3.42Å; F81-N102 PolarHBondContact N-OD1 3.47Å; F81-N102 PolarHBondContact O-ND2 3.5Å; F81-L131 HydrophobicContact CE1-CD1 4.4Å; F81-L131 HydrophobicContact CZ-CD1 4.1Å; F81-L131 HydrophobicContact CZ-CD2 4.26Å; F81-L131 HydrophobicContact CZ-CG 4.42Å
82F88.2Confident81.2Confident94 Ų9471 Ų7141%0.41238%0.377SS..  trans-130.4125.3173.6179.1-109.5000110M80 H84 P124 R127M80-F82 HydrophobicContact CG-CB 4.19Å; M80-F82 PolarHBondContact O-N 3.36Å; M80-F82 HydrophobicContact SD-CB 4.27Å; F82-H84 AromaticContact CE1-CD2 3.48Å; F82-H84 VanDerWaalsContact CE1-CD2 3.48Å; F82-H84 WeakPolarHBondContact CE1-CD2 3.5Å; F82-H84 AromaticContact CE1-NE2 3.37Å; F82-H84 WeakPolarHBondContact CE1-NE2 3.24Å; F82-H84 AromaticContact CZ-CD2 3.7Å; F82-H84 AromaticContact CZ-NE2 3.82Å; F82-P124 HydrophobicContact CD1-CB 3.87Å; F82-P124 HydrophobicContact CD1-CG 3.75Å; F82-P124 HydrophobicContact CE1-CB 4.16Å; F82-P124 HydrophobicContact CE1-CG 4.24Å; F82-R127 VanDerWaalsContact O-CD 3.32Å; F82-R127 WeakPolarHBondContact O-CD 3.45Å; F82-R127 PolarHBondContact O-NH1 3.05Å
83A86.6Confident81.7Confident5 Ų565.4 Ų65.44%0.04135%0.348CS..  trans-129.3141-179.100000110.4F81 H94 P124 R127 C128 L131F81-A83 HydrophobicContact CE1-CB 4.13Å; F81-A83 HydrophobicContact CZ-CB 4.29Å; A83-H94 VanDerWaalsContact CB-CE1 3.45Å; A83-H94 WeakPolarHBondContact CB-CE1 3.31Å; A83-H94 PolarHBondContact O-CE1 2.67Å; A83-H94 VanDerWaalsContact O-CE1 3.29Å; A83-H94 PolarHBondContact O-NE2 2.97Å; A83-P124 WeakPolarHBondContact CA-O 3.39Å; A83-R127 HydrophobicContact CB-CB 3.84Å; A83-C128 HydrophobicContact CB-CB 4.42Å; A83-L131 HydrophobicContact CB-CD1 4.39Å
84H84Confident82Confident74 Ų7462.5 Ų62.534%0.34333%0.332SS..  trans-83122.8176-75.9163.9000110.3F82 L86 P124 E125 C128F82-H84 AromaticContact CE1-CD2 3.48Å; F82-H84 VanDerWaalsContact CE1-CD2 3.48Å; F82-H84 WeakPolarHBondContact CE1-CD2 3.5Å; F82-H84 AromaticContact CE1-NE2 3.37Å; F82-H84 WeakPolarHBondContact CE1-NE2 3.24Å; F82-H84 AromaticContact CZ-CD2 3.7Å; F82-H84 AromaticContact CZ-NE2 3.82Å; H84-L86 HydrophobicContact CB-CD2 4.48Å; H84-L86 PolarHBondContact O-N 2.92Å; H84-P124 PolarHBondContact N-O 3.27Å; H84-E125 IonicContact CE1-OE1 3.67Å; H84-E125 IonicContact ND1-OE1 3.57Å; H84-E125 PolarHBondContact ND1-OE1 3.39Å; H84-E125 VanDerWaalsContact ND1-OE1 3.11Å; H84-C128 WeakPolarHBondContact O-CB 3.3Å; H84-C128 PolarHBondContact O-SG 3.38Å
85Q81.3Confident82.8Confident92 Ų9258.2 Ų58.243%0.4331%0.313SS..  trans-68.3101.3176-171-171.9-8.900110.4I87 S90Q85-I87 PolarHBondContact NE2-O 3.01Å; Q85-I87 VanDerWaalsContact NE2-O 3.17Å; Q85-S90 WeakPolarHBondContact CG-OG 3.32Å; Q85-S90 PolarHBondContact NE2-OG 3.11Å
86L78.8Confident83.4Confident111 Ų11152.5 Ų52.558%0.58128%0.283SS*.  trans-94.9-18.9176-61.2178.2000112.4H84 E125 C128H84-L86 HydrophobicContact CB-CD2 4.48Å; H84-L86 PolarHBondContact O-N 2.92Å; L86-E125 HydrophobicContact CD1-CB 4.16Å; L86-E125 HydrophobicContact CD1-CG 4.5Å; L86-C128 HydrophobicContact CG-CB 4.47Å; L86-C128 PolarHBondContact N-SG 3.38Å; L86-C128 VanDerWaalsContact N-SG 3.4Å
87I77.6Confident83.9Confident24 Ų2449 Ų4912%0.12327%0.265CS..SBendtrans-99.6127.6-169.5-46.2144.3000109.7W5 Q85 S90 D132W5-I87 HydrophobicContact CG-CG2 4.04Å; Q85-I87 PolarHBondContact NE2-O 3.01Å; Q85-I87 VanDerWaalsContact NE2-O 3.17Å; I87-S90 PolarHBondContact O-OG 3.16Å; I87-D132 HydrophobicContact CD1-CB 3.46Å; I87-D132 VanDerWaalsContact CD1-CB 3.46Å; I87-D132 HydrophobicContact CG1-CB 4.1Å
88P77.1Confident84.5Confident91 Ų9149.6 Ų49.659%0.59127%0.27SS*.THydrogen-bonded Turntrans-62.5151.1175.327.8-34.6000110.7S90P88-S90 PolarHBondContact O-N 3.47Å
89N79.1Confident85.3Confident75 Ų7548.4 Ų48.440%0.40127%0.265SS..THydrogen-bonded Turntrans61.58.8176.6-53.4-19.8000116.5W5 E7W5-N89 HydrophobicContact CB-CB 4.22Å; W5-N89 WeakPolarHBondContact O-CB 3.48Å; W5-N89 PolarHBondContact O-ND2 2.95Å; E7-N89 HydrophobicContact CB-CB 4.45Å
90S83.4Confident85.7Confident3 Ų341.4 Ų41.42%0.02123%0.227CC..  trans-94.97.7179.8640000114.4Q85 I87 P88 A92 T93 H94Q85-S90 WeakPolarHBondContact CG-OG 3.32Å; Q85-S90 PolarHBondContact NE2-OG 3.11Å; I87-S90 PolarHBondContact O-OG 3.16Å; P88-S90 PolarHBondContact O-N 3.47Å; S90-A92 PolarHBondContact O-N 2.84Å; S90-T93 PolarHBondContact O-N 3.35Å; S90-H94 VanDerWaalsContact O-CB 3.25Å; S90-H94 WeakPolarHBondContact O-CB 3.43Å; S90-H94 PolarHBondContact O-N 3.01Å
91C84.8Confident85.9Confident68 Ų6838 Ų3846%0.45921%0.21SC..Hα-helixtrans-61.2-41.9-16750.10000113.4H94 A95C91-H94 PolarHBondContact O-N 3.4Å; C91-A95 VanDerWaalsContact O-CB 3.29Å; C91-A95 WeakPolarHBondContact O-CB 3.26Å; C91-A95 PolarHBondContact O-N 3.38Å
92A85.6Confident86.1Confident8 Ų841 Ų417%0.06623%0.227CC..Hα-helixtrans-60.5-54.7179.300000111.4L8 F15 S90 H94 A95 L96L8-A92 HydrophobicContact CB-CB 4.49Å; L8-A92 HydrophobicContact CD1-CB 4.24Å; F15-A92 HydrophobicContact CD1-CB 4.28Å; F15-A92 HydrophobicContact CE1-CB 3.43Å; F15-A92 VanDerWaalsContact CE1-CB 3.43Å; F15-A92 HydrophobicContact CZ-CB 3.79Å; S90-A92 PolarHBondContact O-N 2.84Å; A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 3.44Å; A92-A95 PolarHBondContact O-N 3.37Å; A92-L96 WeakPolarHBondContact O-CG 3.25Å; A92-L96 PolarHBondContact O-N 2.97Å
93T86.1Confident86.2Confident3 Ų337.3 Ų37.32%0.01821%0.213CC..Hα-helixtrans-60.7-43.2178.2-53.20000111.9W5 F22 S90 A95 L96 L97W5-T93 HydrophobicContact CH2-CG2 3.72Å; W5-T93 HydrophobicContact CZ3-CG2 3.73Å; W5-T93 WeakPolarHBondContact CZ3-OG1 3.37Å; F22-T93 HydrophobicContact CE2-CG2 4.06Å; F22-T93 HydrophobicContact CZ-CG2 3.57Å; S90-T93 PolarHBondContact O-N 3.35Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.97Å; T93-L96 PolarHBondContact O-N 3.47Å; T93-L97 HydrophobicContact CG2-CD1 3.84Å; T93-L97 HydrophobicContact CG2-CG 4.26Å; T93-L97 WeakPolarHBondContact O-CB 3.48Å; T93-L97 VanDerWaalsContact O-CG 3.26Å; T93-L97 WeakPolarHBondContact O-CG 3.26Å; T93-L97 PolarHBondContact O-N 3.17Å
94H87.9Confident86.1Confident21 Ų2142.2 Ų42.210%0.09725%0.247CC..Hα-helixtrans-62.5-41.3179.2-163.496.9000111.7A83 S90 C91 A92 S98A83-H94 VanDerWaalsContact CB-CE1 3.45Å; A83-H94 WeakPolarHBondContact CB-CE1 3.31Å; A83-H94 PolarHBondContact O-CE1 2.67Å; A83-H94 VanDerWaalsContact O-CE1 3.29Å; A83-H94 PolarHBondContact O-NE2 2.97Å; S90-H94 VanDerWaalsContact O-CB 3.25Å; S90-H94 WeakPolarHBondContact O-CB 3.43Å; S90-H94 PolarHBondContact O-N 3.01Å; C91-H94 PolarHBondContact O-N 3.4Å; A92-H94 VanDerWaalsContact C-N 3.33Å; A92-H94 PolarHBondContact O-N 3.44Å; H94-S98 WeakPolarHBondContact O-CB 3.31Å; H94-S98 PolarHBondContact O-N 3.43Å; H94-S98 PolarHBondContact O-OG 2.84Å
95A89.7Confident86.1Confident28 Ų2844.7 Ų44.723%0.23126%0.262CS..Hα-helixtrans-66.5-45.5176.400000112.1I47 C91 A92 T93 S98 V99I47-A95 HydrophobicContact CD1-CB 4.2Å; I47-A95 HydrophobicContact CG1-CB 4.4Å; I47-A95 HydrophobicContact CG2-CB 3.74Å; C91-A95 VanDerWaalsContact O-CB 3.29Å; C91-A95 WeakPolarHBondContact O-CB 3.26Å; C91-A95 PolarHBondContact O-N 3.38Å; A92-A95 PolarHBondContact O-N 3.37Å; T93-A95 VanDerWaalsContact C-N 3.33Å; T93-A95 PolarHBondContact O-N 2.97Å; A95-S98 PolarHBondContact O-N 2.85Å; A95-V99 PolarHBondContact O-N 2.82Å
96L90.4Very high86.5Confident8 Ų841.1 Ų41.14%0.04225%0.247CC..Hα-helixtrans-59.4-50.1177.2-73.8164.7000111.6F15 L18 V19 V29 I47 A92 T93 S98 V99 L100F15-L96 HydrophobicContact CB-CD1 4.06Å; F15-L96 HydrophobicContact CB-CD2 4.39Å; F15-L96 HydrophobicContact CD1-CD1 4.18Å; F15-L96 HydrophobicContact CG-CD1 4.16Å; L18-L96 HydrophobicContact CD2-CD1 3.85Å; V19-L96 HydrophobicContact CG2-CD1 4.38Å; V19-L96 HydrophobicContact CG2-CD2 4Å; V29-L96 HydrophobicContact CG2-CD2 3.88Å; I47-L96 HydrophobicContact CD1-CD2 3.6Å; I47-L96 HydrophobicContact CD1-CG 3.95Å; A92-L96 WeakPolarHBondContact O-CG 3.25Å; A92-L96 PolarHBondContact O-N 2.97Å; T93-L96 PolarHBondContact O-N 3.47Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.88Å; L96-V99 PolarHBondContact O-N 2.8Å; L96-V99 VanDerWaalsContact O-N 3.16Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.07Å
97L90.2Very high87Confident9 Ų940.2 Ų40.25%0.04724%0.243CC..Hα-helixtrans-62.4-37.5178.7-69.9176.3000112.2F22 T93 V99 L100 L101 L112 M115 L131F22-L97 HydrophobicContact CD2-CD2 4.23Å; F22-L97 HydrophobicContact CE2-CD2 4.21Å; F22-L97 HydrophobicContact CE2-CG 4.49Å; T93-L97 HydrophobicContact CG2-CD1 3.84Å; T93-L97 HydrophobicContact CG2-CG 4.26Å; T93-L97 WeakPolarHBondContact O-CB 3.48Å; T93-L97 VanDerWaalsContact O-CG 3.26Å; T93-L97 WeakPolarHBondContact O-CG 3.26Å; T93-L97 PolarHBondContact O-N 3.17Å; L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 3.35Å; L97-L100 PolarHBondContact O-N 3.16Å; L97-L101 HydrophobicContact CB-CD1 4.12Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.45Å; L97-L101 WeakPolarHBondContact O-CD1 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.05Å; L97-L112 HydrophobicContact CD2-CD1 4.07Å; L97-L112 HydrophobicContact CD2-CD2 3.59Å; L97-M115 HydrophobicContact CD2-CE 4.34Å; L97-L131 HydrophobicContact CD1-CD1 4.1Å; L97-L131 HydrophobicContact CD1-CD2 3.85Å; L97-L131 HydrophobicContact CD1-CG 4.5Å
98S91.3Very high87.5Confident31 Ų3139.6 Ų39.622%0.21724%0.239CC..Hα-helixtrans-61.8-36.2176.6-61.80000112.2H94 A95 L96 N102H94-S98 WeakPolarHBondContact O-CB 3.31Å; H94-S98 PolarHBondContact O-N 3.43Å; H94-S98 PolarHBondContact O-OG 2.84Å; A95-S98 PolarHBondContact O-N 2.85Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.88Å; S98-N102 PolarHBondContact O-ND2 3.19Å
99V92.6Very high88.1Confident33 Ų3335.6 Ų35.620%0.222%0.215CC..Hα-helixtrans-73.3-54.2174.2175.10000110.4I47 A95 L96 L97 L101 N102 C103I47-V99 HydrophobicContact CD1-CG2 4.49Å; I47-V99 HydrophobicContact CG1-CG2 4.04Å; A95-V99 PolarHBondContact O-N 2.82Å; L96-V99 PolarHBondContact O-N 2.8Å; L96-V99 VanDerWaalsContact O-N 3.16Å; L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 3.35Å; V99-L101 PolarHBondContact O-N 2.99Å; V99-N102 PolarHBondContact O-N 3.29Å; V99-C103 PolarHBondContact O-N 3.17Å; V99-C103 PolarHBondContact O-SG 3.43Å
100L91.4Very high88.5Confident5 Ų536.7 Ų36.73%0.02623%0.226CC..Hα-helixtrans-59.4-47.5-172.9-70.3169.7000112.3V19 V24 V27 L96 L97 N102 C103 V106 L108 L112V19-L100 HydrophobicContact CG1-CD1 4.37Å; V19-L100 HydrophobicContact CG2-CD1 4.14Å; V24-L100 HydrophobicContact CG1-CD2 4.14Å; V24-L100 HydrophobicContact CG2-CD1 4.21Å; V27-L100 HydrophobicContact CG1-CD2 4.24Å; V27-L100 HydrophobicContact CG2-CD2 4.47Å; L96-L100 WeakPolarHBondContact O-CB 3.39Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.27Å; L96-L100 PolarHBondContact O-N 3.07Å; L97-L100 PolarHBondContact O-N 3.16Å; L100-N102 PolarHBondContact O-N 2.73Å; L100-C103 WeakPolarHBondContact O-CB 3.04Å; L100-C103 PolarHBondContact O-N 2.94Å; L100-V106 HydrophobicContact CD2-CG1 4.2Å; L100-L108 HydrophobicContact CB-CD2 3.89Å; L100-L108 WeakPolarHBondContact O-CD2 3.48Å; L100-L112 HydrophobicContact CD1-CD1 4.5Å
101L90.8Very high88.6Confident1 Ų139.9 Ų39.91%0.00525%0.245CC..THydrogen-bonded Turntrans-70.3-17.8-175.5-64.6169000113.1F81 L97 V99 L108 L112 M115 K116F81-L101 HydrophobicContact CB-CB 3.8Å; F81-L101 HydrophobicContact CD1-CB 3.88Å; F81-L101 HydrophobicContact CD1-CD1 3.6Å; F81-L101 HydrophobicContact CD1-CG 4.38Å; F81-L101 HydrophobicContact CD2-CB 4.18Å; F81-L101 HydrophobicContact CD2-CD1 3.79Å; F81-L101 HydrophobicContact CE1-CD1 3.42Å; F81-L101 VanDerWaalsContact CE1-CD1 3.42Å; F81-L101 HydrophobicContact CE2-CD1 3.61Å; F81-L101 HydrophobicContact CG-CB 3.66Å; F81-L101 HydrophobicContact CG-CD1 3.78Å; F81-L101 HydrophobicContact CG-CG 4.37Å; F81-L101 HydrophobicContact CZ-CD1 3.42Å; F81-L101 VanDerWaalsContact CZ-CD1 3.42Å; L97-L101 HydrophobicContact CB-CD1 4.12Å; L97-L101 VanDerWaalsContact O-CB 3.25Å; L97-L101 WeakPolarHBondContact O-CB 3.45Å; L97-L101 WeakPolarHBondContact O-CD1 3.49Å; L97-L101 VanDerWaalsContact O-CG 3.24Å; L97-L101 WeakPolarHBondContact O-CG 3.18Å; L97-L101 PolarHBondContact O-N 3.05Å; V99-L101 PolarHBondContact O-N 2.99Å; L101-L108 HydrophobicContact CD2-CD1 4.23Å; L101-L112 HydrophobicContact CD2-CB 4.31Å; L101-M115 HydrophobicContact CD1-CE 3.65Å; L101-M115 HydrophobicContact CD2-CE 4.22Å; L101-K116 HydrophobicContact CD2-CB 3.92Å; L101-K116 HydrophobicContact CD2-CD 4.26Å; L101-K116 HydrophobicContact CD2-CG 4.29Å; L101-K116 WeakPolarHBondContact O-CE 3.25Å; L101-K116 PolarHBondContact O-NZ 3.2Å
102N91.9Very high88.7Confident78 Ų7836.9 Ų36.942%0.41723%0.225SC..THydrogen-bonded Turntrans-91.8-4.2172.9-74.3-53.7000113.5F81 S98 V99 L100F81-N102 PolarHBondContact N-OD1 3.47Å; F81-N102 PolarHBondContact O-ND2 3.5Å; S98-N102 PolarHBondContact O-ND2 3.19Å; V99-N102 PolarHBondContact O-N 3.29Å; L100-N102 PolarHBondContact O-N 2.73Å
103C90Very high88.9Confident16 Ų1638.7 Ų38.711%0.10824%0.237CC..  trans-89.3129.9175.7-670000111V99 L100 V106V99-C103 PolarHBondContact O-N 3.17Å; V99-C103 PolarHBondContact O-SG 3.43Å; L100-C103 WeakPolarHBondContact O-CB 3.04Å; L100-C103 PolarHBondContact O-N 2.94Å; C103-V106 HydrophobicContact CB-CB 4.25Å; C103-V106 HydrophobicContact CB-CG2 3.81Å
104S83.6Confident89Confident108 Ų10847.5 Ų47.576%0.75527%0.27SS*.SBendtrans-86.8-14.817244.90000113.5
105N85.1Confident88.9Confident126 Ų12647.5 Ų47.567%0.67427%0.27SS*.SBendtrans-103.39.3-164.9-39.7-11.8000112.3Y44Y44-N105 HydrophobicContact CE1-CB 4.32Å
106V88.7Confident88.8Confident17 Ų1749.8 Ų49.810%0.10328%0.275CS..SBendtrans-117.4134.9-172.2172.40000108.7V24 V27 Y44 L100 C103 L108V24-V106 HydrophobicContact CG1-CG1 3.58Å; V27-V106 HydrophobicContact CG2-CB 4.44Å; V27-V106 HydrophobicContact CG2-CG1 3.56Å; V27-V106 HydrophobicContact CG2-CG2 4.04Å; Y44-V106 HydrophobicContact CD1-CG2 3.39Å; Y44-V106 HydrophobicContact CD2-CG2 4.32Å; Y44-V106 HydrophobicContact CE1-CG2 3.38Å; Y44-V106 HydrophobicContact CE2-CG2 4.31Å; Y44-V106 HydrophobicContact CG-CG2 3.88Å; L100-V106 HydrophobicContact CD2-CG1 4.2Å; C103-V106 HydrophobicContact CB-CB 4.25Å; C103-V106 HydrophobicContact CB-CG2 3.81Å; V106-L108 HydrophobicContact CG1-CD2 4.09Å; V106-L108 PolarHBondContact O-N 3.26Å; V106-L108 VanDerWaalsContact O-N 3.13Å
107D90.1Very high88.6Confident92 Ų9254.9 Ų54.949%0.49230%0.302SS..BIsolated β-bridgetrans-77.196.6169-175.32.6000109.2V24 K25 G109V24-D107 WeakPolarHBondContact CA-O 3.37Å; V24-D107 WeakPolarHBondContact CG1-O 3.48Å; K25-D107 PolarHBondContact N-O 3.44Å; K25-D107 VanDerWaalsContact N-O 3.13Å; D107-G109 PolarHBondContact O-N 2.91Å; D107-G109 PolarHBondContact OD1-N 2.91Å; D107-G109 VanDerWaalsContact OD1-N 3.12Å
108L88.1Confident88.6Confident10 Ų1060.6 Ų60.65%0.05233%0.327CS..  trans-70.9-12.2-178.8-65.9176.1000113.4L100 L101 V106 L112 K116L100-L108 HydrophobicContact CB-CD2 3.89Å; L100-L108 WeakPolarHBondContact O-CD2 3.48Å; L101-L108 HydrophobicContact CD2-CD1 4.23Å; V106-L108 HydrophobicContact CG1-CD2 4.09Å; V106-L108 PolarHBondContact O-N 3.26Å; V106-L108 VanDerWaalsContact O-N 3.13Å; L108-L112 HydrophobicContact CB-CB 4.01Å; L108-L112 HydrophobicContact CD2-CD1 4.39Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L108-K116 HydrophobicContact CD1-CD 4.21Å
109G88.5Confident88.4Confident7 Ų759.2 Ų59.27%0.07232%0.317CS..Hα-helixtrans70.4174.1-170.100000113.5D107 T111 S113D107-G109 PolarHBondContact O-N 2.91Å; D107-G109 PolarHBondContact OD1-N 2.91Å; D107-G109 VanDerWaalsContact OD1-N 3.12Å; G109-T111 PolarHBondContact O-N 3.41Å; G109-S113 VanDerWaalsContact O-CB 3.22Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 2.91Å; G109-S113 PolarHBondContact O-OG 3.34Å
110P87.5Confident88Confident99 Ų9965.5 Ų65.564%0.64334%0.342SS*.Hα-helixtrans-70.8-32-17126.7-34.4000113.5R114P110-R114 VanDerWaalsContact O-CB 3.25Å; P110-R114 WeakPolarHBondContact O-CB 3.42Å; P110-R114 PolarHBondContact O-N 2.95Å; P110-R114 VanDerWaalsContact O-N 3.12Å
111T85.9Confident87.6Confident69 Ų6967.6 Ų67.642%0.42336%0.364SS..Hα-helixtrans-70.7-55.1-176.5-54.30000111.1G109 R114 M115 L138G109-T111 PolarHBondContact O-N 3.41Å; T111-R114 PolarHBondContact O-N 3.43Å; T111-M115 WeakPolarHBondContact O-CB 3.38Å; T111-M115 PolarHBondContact O-N 3.21Å; T111-L138 HydrophobicContact CG2-CD2 4.37Å
112L87.5Confident87.4Confident6 Ų670.5 Ų70.53%0.03138%0.377CS..Hα-helixtrans-68.7-35.3-179.9-65.2-172.1000112.2F22 V24 L97 L100 L101 L108 M115 K116F22-L112 HydrophobicContact CB-CD1 3.95Å; F22-L112 HydrophobicContact CB-CD2 4.38Å; F22-L112 HydrophobicContact CB-CG 4.17Å; V24-L112 HydrophobicContact CG2-CD1 3.43Å; V24-L112 VanDerWaalsContact CG2-CD1 3.43Å; L97-L112 HydrophobicContact CD2-CD1 4.07Å; L97-L112 HydrophobicContact CD2-CD2 3.59Å; L100-L112 HydrophobicContact CD1-CD1 4.5Å; L101-L112 HydrophobicContact CD2-CB 4.31Å; L108-L112 HydrophobicContact CB-CB 4.01Å; L108-L112 HydrophobicContact CD2-CD1 4.39Å; L108-L112 WeakPolarHBondContact O-CB 3.32Å; L112-M115 HydrophobicContact CD2-CE 3.72Å; L112-M115 HydrophobicContact CD2-SD 4.48Å; L112-M115 PolarHBondContact O-N 3.46Å; L112-K116 WeakPolarHBondContact O-CB 3.39Å; L112-K116 PolarHBondContact O-N 3.38Å
113S89.1Confident87Confident45 Ų4569.1 Ų69.132%0.31537%0.373SS..Hα-helixtrans-61.4-47.3174.8-59.60000111.4G109 M115 K116 D117G109-S113 VanDerWaalsContact O-CB 3.22Å; G109-S113 WeakPolarHBondContact O-CB 3.45Å; G109-S113 PolarHBondContact O-N 2.91Å; G109-S113 PolarHBondContact O-OG 3.34Å; S113-M115 VanDerWaalsContact C-N 3.31Å; S113-M115 PolarHBondContact O-N 3.04Å; S113-K116 WeakPolarHBondContact O-CB 3.45Å; S113-K116 PolarHBondContact O-N 3.26Å; S113-D117 PolarHBondContact O-N 3.41Å
114R88Confident86.7Confident189 Ų18969.3 Ų69.371%0.71337%0.374SS*.Hα-helixtrans-61.7-40.6176.4-173.2-176.8-57.3-152.90.3112P110 T111 D117 F118P110-R114 VanDerWaalsContact O-CB 3.25Å; P110-R114 WeakPolarHBondContact O-CB 3.42Å; P110-R114 PolarHBondContact O-N 2.95Å; P110-R114 VanDerWaalsContact O-N 3.12Å; T111-R114 PolarHBondContact O-N 3.43Å; R114-D117 PolarHBondContact O-N 3.47Å; R114-F118 VanDerWaalsContact O-CB 3.25Å; R114-F118 WeakPolarHBondContact O-CB 3.29Å; R114-F118 PolarHBondContact O-N 2.86Å
115M86.4Confident86.8Confident21 Ų2168.2 Ų68.210%0.10336%0.357CS..Hα-helixtrans-65.5-41.2177.4-173.3-17576.200111.8L97 L101 T111 L112 S113 F118 T119 L131 A134L97-M115 HydrophobicContact CD2-CE 4.34Å; L101-M115 HydrophobicContact CD1-CE 3.65Å; L101-M115 HydrophobicContact CD2-CE 4.22Å; T111-M115 WeakPolarHBondContact O-CB 3.38Å; T111-M115 PolarHBondContact O-N 3.21Å; L112-M115 HydrophobicContact CD2-CE 3.72Å; L112-M115 HydrophobicContact CD2-SD 4.48Å; L112-M115 PolarHBondContact O-N 3.46Å; S113-M115 VanDerWaalsContact C-N 3.31Å; S113-M115 PolarHBondContact O-N 3.04Å; M115-F118 PolarHBondContact O-N 3.03Å; M115-T119 WeakPolarHBondContact O-CB 3.39Å; M115-T119 WeakPolarHBondContact O-CG2 3.36Å; M115-T119 PolarHBondContact O-N 2.94Å; M115-T119 PolarHBondContact O-OG1 3.28Å; M115-L131 HydrophobicContact CE-CD2 3.34Å; M115-L131 HydrophobicContact CG-CD2 4.39Å; M115-L131 HydrophobicContact SD-CD2 3.31Å; M115-L131 WeakPolarHBondContact SD-CD2 3.43Å; M115-A134 HydrophobicContact SD-CB 4.28Å
116K87.1Confident86.8Confident75 Ų7565.4 Ų65.433%0.32634%0.344SS..Hα-helixtrans-59.4-47.5175.1-171.3173.6170.4170.80111.3L101 L108 L112 S113 T119 K120L101-K116 HydrophobicContact CD2-CB 3.92Å; L101-K116 HydrophobicContact CD2-CD 4.26Å; L101-K116 HydrophobicContact CD2-CG 4.29Å; L101-K116 WeakPolarHBondContact O-CE 3.25Å; L101-K116 PolarHBondContact O-NZ 3.2Å; L108-K116 HydrophobicContact CD1-CD 4.21Å; L112-K116 WeakPolarHBondContact O-CB 3.39Å; L112-K116 PolarHBondContact O-N 3.38Å; S113-K116 WeakPolarHBondContact O-CB 3.45Å; S113-K116 PolarHBondContact O-N 3.26Å; K116-T119 PolarHBondContact O-N 2.96Å; K116-T119 PolarHBondContact O-OG1 3.38Å; K116-K120 PolarHBondContact O-N 3.14Å
117D88.1Confident86.7Confident115 Ų11564.7 Ų64.762%0.61534%0.34SS*.Hα-helixtrans-66.6-40.4179.2-68.8-26.2000111.8S113 R114 T119 K120S113-D117 PolarHBondContact O-N 3.41Å; R114-D117 PolarHBondContact O-N 3.47Å; D117-T119 VanDerWaalsContact C-N 3.33Å; D117-T119 PolarHBondContact O-N 3.11Å; D117-K120 VanDerWaalsContact O-CB 3.32Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 3.36Å
118F88.2Confident86.5Confident130 Ų13060.4 Ų60.457%0.5732%0.317SS*.Hα-helixtrans-66.2-34.1178.6-179.4-100.9000113.1R114 M115 K120 F122 T130R114-F118 VanDerWaalsContact O-CB 3.25Å; R114-F118 WeakPolarHBondContact O-CB 3.29Å; R114-F118 PolarHBondContact O-N 2.86Å; M115-F118 PolarHBondContact O-N 3.03Å; F118-K120 VanDerWaalsContact C-N 3.33Å; F118-F122 HydrophobicContact CD1-CE2 4.18Å; F118-F122 AromaticContact CE1-CE2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 3.82Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CZ-CE2 4.35Å; F118-F122 HydrophobicContact CZ-CZ 4.32Å; F118-F122 WeakPolarHBondContact O-CZ 3.41Å; F118-T130 HydrophobicContact CD1-CG2 3.83Å; F118-T130 HydrophobicContact CE1-CG2 3.81Å
119T87.5Confident86.3Confident2 Ų262.5 Ų62.51%0.01233%0.332CS..THydrogen-bonded Turntrans-90.23.8-178.354.40000113.7M115 K116 D117 G121 F122 T130M115-T119 WeakPolarHBondContact O-CB 3.39Å; M115-T119 WeakPolarHBondContact O-CG2 3.36Å; M115-T119 PolarHBondContact O-N 2.94Å; M115-T119 PolarHBondContact O-OG1 3.28Å; K116-T119 PolarHBondContact O-N 2.96Å; K116-T119 PolarHBondContact O-OG1 3.38Å; D117-T119 VanDerWaalsContact C-N 3.33Å; D117-T119 PolarHBondContact O-N 3.11Å; T119-G121 PolarHBondContact O-N 3.03Å; T119-F122 HydrophobicContact CG2-CD2 4.27Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 2.93Å; T119-T130 HydrophobicContact CG2-CG2 3.67Å
120K85.2Confident86.1Confident165 Ų16563.3 Ų63.372%0.71734%0.336SS*.THydrogen-bonded Turntrans-64.6125179.1-167.3174.6-177.3176.90110.5K116 D117 F118 F122K116-K120 PolarHBondContact O-N 3.14Å; D117-K120 VanDerWaalsContact O-CB 3.32Å; D117-K120 WeakPolarHBondContact O-CB 3.45Å; D117-K120 PolarHBondContact O-N 3.36Å; F118-K120 VanDerWaalsContact C-N 3.33Å; K120-F122 VanDerWaalsContact C-N 3.3Å; K120-F122 PolarHBondContact O-N 2.81Å
121G82.3Confident85.9Confident48 Ų4859.1 Ų59.150%0.49531%0.308SS..THydrogen-bonded Turntrans78.94.9-178.100000115.2T119T119-G121 PolarHBondContact O-N 3.03Å
122F86Confident85.7Confident63 Ų6356.8 Ų56.828%0.27629%0.293SS..  trans-78.5151.1172-72.66.3000111.1F118 T119 K120 V126 R127F118-F122 HydrophobicContact CD1-CE2 4.18Å; F118-F122 AromaticContact CE1-CE2 3.82Å; F118-F122 HydrophobicContact CE1-CE2 3.82Å; F118-F122 HydrophobicContact CE1-CZ 4.2Å; F118-F122 HydrophobicContact CZ-CE2 4.35Å; F118-F122 HydrophobicContact CZ-CZ 4.32Å; F118-F122 WeakPolarHBondContact O-CZ 3.41Å; T119-F122 HydrophobicContact CG2-CD2 4.27Å; T119-F122 WeakPolarHBondContact O-CB 3.33Å; T119-F122 PolarHBondContact O-N 2.93Å; K120-F122 VanDerWaalsContact C-N 3.3Å; K120-F122 PolarHBondContact O-N 2.81Å; F122-V126 HydrophobicContact CB-CB 4.17Å; F122-V126 HydrophobicContact CB-CG1 4.13Å; F122-V126 HydrophobicContact CD2-CB 4.37Å; F122-V126 HydrophobicContact CD2-CG1 3.48Å; F122-V126 VanDerWaalsContact CD2-CG1 3.48Å; F122-V126 HydrophobicContact CE2-CG1 4.03Å; F122-V126 HydrophobicContact CG-CG1 3.93Å; F122-R127 HydrophobicContact CB-CG 3.84Å; F122-R127 PolarHBondContact O-NE 2.92Å; F122-R127 PolarHBondContact O-NH2 2.78Å
123S84.5Confident85.4Confident48 Ų4862.2 Ų62.234%0.33632%0.318SS..  trans-65.9155.6171.185.60000111.2E125 V126 R127S123-E125 PolarHBondContact O-N 3.4Å; S123-E125 VanDerWaalsContact O-N 3.16Å; S123-E125 PolarHBondContact OG-OE2 3.15Å; S123-V126 PolarHBondContact O-N 2.95Å; S123-V126 WeakPolarHBondContact OG-CG2 3.4Å; S123-R127 WeakPolarHBondContact O-CG 3.47Å; S123-R127 PolarHBondContact O-N 3.34Å
124P84.4Confident84.7Confident20 Ų2061.7 Ų61.713%0.1332%0.317CS..Hα-helixtrans-55.1-32.5179.4-27.936.6000114.7V77 F82 A83 H84 C128V77-P124 HydrophobicContact CG1-CG 4.13Å; F82-P124 HydrophobicContact CD1-CB 3.87Å; F82-P124 HydrophobicContact CD1-CG 3.75Å; F82-P124 HydrophobicContact CE1-CB 4.16Å; F82-P124 HydrophobicContact CE1-CG 4.24Å; A83-P124 WeakPolarHBondContact CA-O 3.39Å; H84-P124 PolarHBondContact N-O 3.27Å; P124-C128 PolarHBondContact O-N 2.71Å
125E84.9Confident84Confident85 Ų8556.3 Ų56.340%0.39730%0.297SS..Hα-helixtrans-68-46174.5-60.382.4-155.600111.9H84 L86 S123 R127 C128 S129H84-E125 IonicContact CE1-OE1 3.67Å; H84-E125 IonicContact ND1-OE1 3.57Å; H84-E125 PolarHBondContact ND1-OE1 3.39Å; H84-E125 VanDerWaalsContact ND1-OE1 3.11Å; L86-E125 HydrophobicContact CD1-CB 4.16Å; L86-E125 HydrophobicContact CD1-CG 4.5Å; S123-E125 PolarHBondContact O-N 3.4Å; S123-E125 VanDerWaalsContact O-N 3.16Å; S123-E125 PolarHBondContact OG-OE2 3.15Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.04Å; E125-C128 PolarHBondContact O-N 3.38Å; E125-S129 PolarHBondContact O-N 3.28Å
126V85.3Confident83.1Confident67 Ų6760 Ų6041%0.40631%0.309SS..Hα-helixtrans-66.5-35.8-177.6-179.90000110.5F122 S123 C128 S129 T130F122-V126 HydrophobicContact CB-CB 4.17Å; F122-V126 HydrophobicContact CB-CG1 4.13Å; F122-V126 HydrophobicContact CD2-CB 4.37Å; F122-V126 HydrophobicContact CD2-CG1 3.48Å; F122-V126 VanDerWaalsContact CD2-CG1 3.48Å; F122-V126 HydrophobicContact CE2-CG1 4.03Å; F122-V126 HydrophobicContact CG-CG1 3.93Å; S123-V126 PolarHBondContact O-N 2.95Å; S123-V126 WeakPolarHBondContact OG-CG2 3.4Å; V126-C128 PolarHBondContact O-N 2.96Å; V126-S129 PolarHBondContact O-N 2.92Å; V126-T130 WeakPolarHBondContact O-CB 3.16Å; V126-T130 PolarHBondContact O-N 3.33Å; V126-T130 PolarHBondContact O-OG1 3.17Å
127R87.1Confident81.8Confident3 Ų365.2 Ų65.21%0.01133%0.327CS..Hα-helixtrans-58-48.7172.4-66.4-176.2-164.3157-2.8111.1V77 N78 M80 F82 A83 F122 S123 E125 S129 T130 L131V77-R127 PolarHBondContact O-NH1 3.38Å; V77-R127 PolarHBondContact O-NH2 3.29Å; N78-R127 PolarHBondContact OD1-NH2 2.92Å; M80-R127 PolarHBondContact O-NH1 3.36Å; F82-R127 VanDerWaalsContact O-CD 3.32Å; F82-R127 WeakPolarHBondContact O-CD 3.45Å; F82-R127 PolarHBondContact O-NH1 3.05Å; A83-R127 HydrophobicContact CB-CB 3.84Å; F122-R127 HydrophobicContact CB-CG 3.84Å; F122-R127 PolarHBondContact O-NE 2.92Å; F122-R127 PolarHBondContact O-NH2 2.78Å; S123-R127 WeakPolarHBondContact O-CG 3.47Å; S123-R127 PolarHBondContact O-N 3.34Å; E125-R127 VanDerWaalsContact C-N 3.29Å; E125-R127 PolarHBondContact O-N 3.04Å; R127-S129 PolarHBondContact O-N 3.15Å; R127-T130 WeakPolarHBondContact O-CB 3.49Å; R127-T130 PolarHBondContact O-N 3.49Å; R127-L131 WeakPolarHBondContact O-CG 2.89Å; R127-L131 PolarHBondContact O-N 3.41Å
128C84.8Confident80.4Confident1 Ų163.3 Ų63.31%0.00732%0.317CS..Hα-helixtrans-62.8-42.7178.2-176.80000113A83 H84 L86 P124 E125 V126 T130 L131 D132A83-C128 HydrophobicContact CB-CB 4.42Å; H84-C128 WeakPolarHBondContact O-CB 3.3Å; H84-C128 PolarHBondContact O-SG 3.38Å; L86-C128 HydrophobicContact CG-CB 4.47Å; L86-C128 PolarHBondContact N-SG 3.38Å; L86-C128 VanDerWaalsContact N-SG 3.4Å; P124-C128 PolarHBondContact O-N 2.71Å; E125-C128 PolarHBondContact O-N 3.38Å; V126-C128 PolarHBondContact O-N 2.96Å; C128-T130 PolarHBondContact O-N 3.44Å; C128-L131 WeakPolarHBondContact O-CB 3.41Å; C128-L131 PolarHBondContact O-N 2.99Å; C128-L131 VanDerWaalsContact O-N 3.15Å; C128-D132 PolarHBondContact O-N 2.88Å
129S83.6Confident78.8Confident54 Ų5460 Ų6038%0.37832%0.319SS..Hα-helixtrans-61.9-35.6175.7-179.80000112.1E125 V126 R127 D132 H133E125-S129 PolarHBondContact O-N 3.28Å; V126-S129 PolarHBondContact O-N 2.92Å; R127-S129 PolarHBondContact O-N 3.15Å; S129-D132 PolarHBondContact O-N 3.11Å; S129-H133 PolarHBondContact O-N 3.28Å; S129-H133 VanDerWaalsContact O-N 3.15Å; S129-H133 PolarHBondContact O-ND1 3.38Å
130T85.3Confident76.9Confident24 Ų2464.9 Ų64.915%0.14735%0.349CS..Hα-helixtrans-67.5-40.6175-54.80000111.3F118 T119 V126 R127 C128 H133 A134F118-T130 HydrophobicContact CD1-CG2 3.83Å; F118-T130 HydrophobicContact CE1-CG2 3.81Å; T119-T130 HydrophobicContact CG2-CG2 3.67Å; V126-T130 WeakPolarHBondContact O-CB 3.16Å; V126-T130 PolarHBondContact O-N 3.33Å; V126-T130 PolarHBondContact O-OG1 3.17Å; R127-T130 WeakPolarHBondContact O-CB 3.49Å; R127-T130 PolarHBondContact O-N 3.49Å; C128-T130 PolarHBondContact O-N 3.44Å; T130-H133 PolarHBondContact O-N 3.31Å; T130-A134 WeakPolarHBondContact O-CB 3.48Å; T130-A134 PolarHBondContact O-N 2.94Å
131L82.8Confident74.7Confident11 Ų1159.9 Ų59.96%0.05834%0.335CS..Hα-helixtrans-60.3-42.9173.1-65.6-177.8000112.1F81 A83 L97 M115 R127 C128 H133 A134 Y135F81-L131 HydrophobicContact CE1-CD1 4.4Å; F81-L131 HydrophobicContact CZ-CD1 4.1Å; F81-L131 HydrophobicContact CZ-CD2 4.26Å; F81-L131 HydrophobicContact CZ-CG 4.42Å; A83-L131 HydrophobicContact CB-CD1 4.39Å; L97-L131 HydrophobicContact CD1-CD1 4.1Å; L97-L131 HydrophobicContact CD1-CD2 3.85Å; L97-L131 HydrophobicContact CD1-CG 4.5Å; M115-L131 HydrophobicContact CE-CD2 3.34Å; M115-L131 HydrophobicContact CG-CD2 4.39Å; M115-L131 HydrophobicContact SD-CD2 3.31Å; M115-L131 WeakPolarHBondContact SD-CD2 3.43Å; R127-L131 WeakPolarHBondContact O-CG 2.89Å; R127-L131 PolarHBondContact O-N 3.41Å; C128-L131 WeakPolarHBondContact O-CB 3.41Å; C128-L131 PolarHBondContact O-N 2.99Å; C128-L131 VanDerWaalsContact O-N 3.15Å; L131-H133 PolarHBondContact O-N 3.15Å; L131-A134 PolarHBondContact O-N 3.31Å; L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 3.23Å
132D82.3Confident72.5Confident21 Ų2163.1 Ų63.111%0.11234%0.341CS..Hα-helixtrans-58.2-49.9176.7-167.252000111.2W5 I87 C128 S129 Y135 R136W5-D132 PolarHBondContact NE1-OD1 3.18Å; I87-D132 HydrophobicContact CD1-CB 3.46Å; I87-D132 VanDerWaalsContact CD1-CB 3.46Å; I87-D132 HydrophobicContact CG1-CB 4.1Å; C128-D132 PolarHBondContact O-N 2.88Å; S129-D132 PolarHBondContact O-N 3.11Å; D132-Y135 PolarHBondContact O-N 3.17Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.39Å; D132-R136 PolarHBondContact O-N 2.95Å; D132-R136 IonicContact OD1-NE 3.59Å; D132-R136 IonicContact OD1-NH2 3.86Å; D132-R136 IonicContact OD2-CZ 3.55Å; D132-R136 IonicContact OD2-NE 2.8Å; D132-R136 PolarHBondContact OD2-NE 2.76Å; D132-R136 IonicContact OD2-NH2 3.42Å; D132-R136 PolarHBondContact OD2-NH2 3.44Å
133H79.9Confident70.4Confident120 Ų12066 Ų6656%0.55637%0.366SS*.Hα-helixtrans-64.5-41.5-179.9-71.2128.9000111.8S129 T130 L131 R136 W137S129-H133 PolarHBondContact O-N 3.28Å; S129-H133 VanDerWaalsContact O-N 3.15Å; S129-H133 PolarHBondContact O-ND1 3.38Å; T130-H133 PolarHBondContact O-N 3.31Å; L131-H133 PolarHBondContact O-N 3.15Å; H133-R136 PolarHBondContact O-N 3.26Å; H133-W137 WeakPolarHBondContact O-CB 3.28Å; H133-W137 PolarHBondContact O-N 3.37Å
134A75.7Confident68.1Low34 Ų3472.2 Ų72.228%0.28139%0.39SS..Hα-helixtrans-62.8-45.1177.700000111.8M115 T130 L131 W137 L138M115-A134 HydrophobicContact SD-CB 4.28Å; T130-A134 WeakPolarHBondContact O-CB 3.48Å; T130-A134 PolarHBondContact O-N 2.94Å; L131-A134 PolarHBondContact O-N 3.31Å; A134-W137 WeakPolarHBondContact O-CB 3.4Å; A134-W137 PolarHBondContact O-N 2.82Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.2Å
135Y72.1Confident65.9Low75 Ų7576.4 Ų76.429%0.29442%0.419SS..Hα-helixtrans-64.6-42.8177.7-176.8-100000112.3W5 L131 D132 W137 L138 G139W5-Y135 AromaticContact CD2-CD1 3.78Å; W5-Y135 HydrophobicContact CD2-CD1 3.78Å; W5-Y135 AromaticContact CD2-CE1 3.8Å; W5-Y135 HydrophobicContact CD2-CE1 3.8Å; W5-Y135 HydrophobicContact CD2-CG 4.42Å; W5-Y135 AromaticContact CE2-CD1 3.47Å; W5-Y135 VanDerWaalsContact CE2-CD1 3.47Å; W5-Y135 AromaticContact CE2-CG 3.9Å; W5-Y135 AromaticContact CE3-CD1 3.89Å; W5-Y135 HydrophobicContact CE3-CD1 3.89Å; W5-Y135 HydrophobicContact CE3-CD2 4.47Å; W5-Y135 AromaticContact CE3-CE1 3.65Å; W5-Y135 HydrophobicContact CE3-CE1 3.65Å; W5-Y135 HydrophobicContact CE3-CE2 4.26Å; W5-Y135 HydrophobicContact CE3-CG 4.29Å; W5-Y135 AromaticContact CE3-CZ 3.84Å; W5-Y135 VanDerWaalsContact CH2-CB 3.47Å; W5-Y135 AromaticContact CH2-CD1 3.52Å; W5-Y135 HydrophobicContact CH2-CD1 3.52Å; W5-Y135 AromaticContact CH2-CD2 3.34Å; W5-Y135 HydrophobicContact CH2-CD2 3.34Å; W5-Y135 HydrophobicContact CH2-CE1 4.04Å; W5-Y135 AromaticContact CH2-CE2 3.87Å; W5-Y135 HydrophobicContact CH2-CE2 3.87Å; W5-Y135 AromaticContact CH2-CG 3.13Å; W5-Y135 HydrophobicContact CH2-CG 3.13Å; W5-Y135 AromaticContact CZ2-CD1 3.39Å; W5-Y135 HydrophobicContact CZ2-CD1 3.39Å; W5-Y135 HydrophobicContact CZ2-CD2 4.01Å; W5-Y135 HydrophobicContact CZ2-CE1 4.18Å; W5-Y135 AromaticContact CZ2-CG 3.28Å; W5-Y135 HydrophobicContact CZ2-CG 3.28Å; W5-Y135 AromaticContact CZ3-CD1 3.73Å; W5-Y135 HydrophobicContact CZ3-CD1 3.73Å; W5-Y135 AromaticContact CZ3-CD2 3.59Å; W5-Y135 HydrophobicContact CZ3-CD2 3.59Å; W5-Y135 AromaticContact CZ3-CE1 3.74Å; W5-Y135 HydrophobicContact CZ3-CE1 3.74Å; W5-Y135 AromaticContact CZ3-CE2 3.58Å; W5-Y135 HydrophobicContact CZ3-CE2 3.58Å; W5-Y135 AromaticContact CZ3-CG 3.65Å; W5-Y135 HydrophobicContact CZ3-CG 3.65Å; W5-Y135 AromaticContact CZ3-CZ 3.65Å; L131-Y135 WeakPolarHBondContact O-CB 3.43Å; L131-Y135 PolarHBondContact O-N 3.23Å; D132-Y135 PolarHBondContact O-N 3.17Å; Y135-W137 VanDerWaalsContact C-N 3.26Å; Y135-W137 PolarHBondContact O-N 3.44Å; Y135-L138 PolarHBondContact O-N 3.04Å; Y135-G139 PolarHBondContact O-N 2.99Å
136R68.9Low63.6Low98 Ų9887 Ų8737%0.3746%0.458SS..Hα-helixtrans-59.1-40.8173.5-72.2172.8-174.3-81.9-4.2111.5K3 D132 H133 G139 T140K3-R136 VanDerWaalsContact O-CZ 3.28Å; K3-R136 PolarHBondContact O-NH1 3.17Å; K3-R136 PolarHBondContact O-NH2 3.18Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.39Å; D132-R136 PolarHBondContact O-N 2.95Å; D132-R136 IonicContact OD1-NE 3.59Å; D132-R136 IonicContact OD1-NH2 3.86Å; D132-R136 IonicContact OD2-CZ 3.55Å; D132-R136 IonicContact OD2-NE 2.8Å; D132-R136 PolarHBondContact OD2-NE 2.76Å; D132-R136 IonicContact OD2-NH2 3.42Å; D132-R136 PolarHBondContact OD2-NH2 3.44Å; H133-R136 PolarHBondContact O-N 3.26Å; R136-G139 PolarHBondContact O-N 2.83Å; R136-T140 WeakPolarHBondContact O-CG2 3.43Å; R136-T140 PolarHBondContact O-N 3.49Å; R136-T140 PolarHBondContact O-OG1 3.25Å; R136-T140 VanDerWaalsContact O-OG1 3.11Å
137W58.9Low62.6Low185 Ų18588 Ų8870%0.70146%0.46SS*.Hα-helixtrans-65.6-41.7179.2-156.684.8000111.9H133 A134 Y135 T140 S141H133-W137 WeakPolarHBondContact O-CB 3.28Å; H133-W137 PolarHBondContact O-N 3.37Å; A134-W137 WeakPolarHBondContact O-CB 3.4Å; A134-W137 PolarHBondContact O-N 2.82Å; Y135-W137 VanDerWaalsContact C-N 3.26Å; Y135-W137 PolarHBondContact O-N 3.44Å; W137-T140 WeakPolarHBondContact CA-OG1 3.5Å; W137-T140 PolarHBondContact O-N 3.08Å; W137-T140 PolarHBondContact O-OG1 3.23Å; W137-S141 PolarHBondContact O-N 3.42Å; W137-S141 PolarHBondContact O-OG 2.8Å
138L59.8Low61.3Low75 Ų7592.4 Ų92.439%0.39348%0.484SS..Hα-helixtrans-61.8-43.8172.1-69.6169.8000111.7T111 A134 Y135 T140 S141T111-L138 HydrophobicContact CG2-CD2 4.37Å; A134-L138 WeakPolarHBondContact O-CG 3.37Å; A134-L138 PolarHBondContact O-N 3.2Å; Y135-L138 PolarHBondContact O-N 3.04Å; L138-T140 VanDerWaalsContact C-N 3.3Å; L138-T140 PolarHBondContact O-N 3.23Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 2.88Å; L138-S141 VanDerWaalsContact O-N 3.14Å
139G54.1Low60Low60 Ų6097.5 Ų97.562%0.61951%0.51SS*.Hα-helixtrans-68.6-22.3176.800000114.8Y135 R136Y135-G139 PolarHBondContact O-N 2.99Å; R136-G139 PolarHBondContact O-N 2.83Å
140T46.3Very low58.6Low106 Ų106100.1 Ų100.165%0.6552%0.518SS*.THydrogen-bonded Turntrans-89.5-2.7172.553.60000113.7R136 W137 L138 D142R136-T140 WeakPolarHBondContact O-CG2 3.43Å; R136-T140 PolarHBondContact O-N 3.49Å; R136-T140 PolarHBondContact O-OG1 3.25Å; R136-T140 VanDerWaalsContact O-OG1 3.11Å; W137-T140 WeakPolarHBondContact CA-OG1 3.5Å; W137-T140 PolarHBondContact O-N 3.08Å; W137-T140 PolarHBondContact O-OG1 3.23Å; L138-T140 VanDerWaalsContact C-N 3.3Å; L138-T140 PolarHBondContact O-N 3.23Å; T140-D142 PolarHBondContact O-N 3.19Å
141S39.7Very low56.9Low59 Ų59104.8 Ų104.841%0.41354%0.541SS..  trans-84.26.5179.1-58.20000113.2W137 L138 P143W137-S141 PolarHBondContact O-N 3.42Å; W137-S141 PolarHBondContact O-OG 2.8Å; L138-S141 WeakPolarHBondContact O-CB 3.49Å; L138-S141 PolarHBondContact O-N 2.88Å; L138-S141 VanDerWaalsContact O-N 3.14Å; S141-P143 WeakPolarHBondContact O-CD 3.43Å
142D37.2Very low55.2Low117 Ų117111.1 Ų111.163%0.62657%0.574SS**  trans-74.1109.5166.8-166.6-1.9000109.9T140 Q144T140-D142 PolarHBondContact O-N 3.19Å; D142-Q144 VanDerWaalsContact C-N 3.27Å; D142-Q144 PolarHBondContact O-N 3.08Å
143P40Very low53.2Low123 Ų123117.5 Ų117.580%0.79961%0.607SS**  trans-89.133.5-17715.35.1000112.8S141S141-P143 WeakPolarHBondContact O-CD 3.43Å
144Q37.9Very low51.2Low179 Ų179117.3 Ų117.384%0.83661%0.61SS**  trans-10459.4169.3-78.3-156.3-8.100113.7D142D142-Q144 VanDerWaalsContact C-N 3.27Å; D142-Q144 PolarHBondContact O-N 3.08Å
145S36.8Very low49.2Very low108 Ų108124.3 Ų124.376%0.75564%0.638SS**  trans-137.669.6156.369.80000111.4
146Y38.3Very low47.1Very low306 Ų306128.7 Ų128.7100%1.267%0.669SS**  trans-126.90141.3-87.5-76.6000107.8

Retrieved 146 of 146 residues in 137 ms (Link to these results)

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