A0A060VMY6_ONCMY Loading...

Charged multivesicular body protein 3

AlphaFold DB , UniProt , Accession A0A060VMY6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497858, Length 219 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low51.1Low247 Ų247157.2 Ų157.2100%1.21783%0.832SS**  0112.60-144.9164.1-179.800107.6
2K40.2Very low53.6Low209 Ų209153 Ų15391%0.90980%0.802SS**  trans35.6123.5166.1-74176.7175.1177.40122.6
3M57.5Low56.3Low163 Ų163146.5 Ų146.580%0.80377%0.774SS**  trans-44.5156.8169.1-64.1-115.3-144.700119L5M3-L5 HydrophobicContact CB-CB 4.37Å; M3-L5 HydrophobicContact SD-CB 4.1Å; M3-L5 HydrophobicContact SD-CD1 3.97Å; M3-L5 HydrophobicContact SD-CG 4.45Å
4G46.2Very low58.7Low71 Ų71139.9 Ų139.973%0.73274%0.744SS**  -157113.2122.900000107.3
5L63.1Low60.9Low141 Ų141138.2 Ų138.274%0.73873%0.728SS**  cis63.430.737.3-141.784.3000115.9M3M3-L5 HydrophobicContact CB-CB 4.37Å; M3-L5 HydrophobicContact SD-CB 4.1Å; M3-L5 HydrophobicContact SD-CD1 3.97Å; M3-L5 HydrophobicContact SD-CG 4.45Å
6F56.3Low63Low199 Ų199134.5 Ų134.587%0.87371%0.709SS**SBendtrans-149.1133.8149.4-107.7-89.9000106.8K8F6-K8 PolarHBondContact O-N 2.83Å
7G46Very low64.7Low79 Ų79128.9 Ų128.981%0.81468%0.679SS**  trans-57.996.6-179.800000110.9T9G7-T9 PolarHBondContact O-N 3.14Å
8K46.9Very low66.4Low194 Ų194121.8 Ų121.884%0.84364%0.642SS**  trans-69.2102.5163.9-69.3-179.6-180178.70105.4F6 Q10F6-K8 PolarHBondContact O-N 2.83Å; K8-Q10 PolarHBondContact O-N 3.06Å; K8-Q10 VanDerWaalsContact O-N 3.14Å
9T49.6Very low67.9Low101 Ų101118.8 Ų118.862%0.6263%0.626SS**  trans-45.5123.6145.445.10000105.1G7 D11G7-T9 PolarHBondContact O-N 3.14Å; T9-D11 WeakPolarHBondContact CB-OD1 3.38Å; T9-D11 PolarHBondContact O-N 2.7Å; T9-D11 PolarHBondContact OG1-OD1 3Å
10Q46.9Very low69.2Low192 Ų192115.6 Ų115.690%0.89761%0.607SS**  trans-64.582.9168.7-103.2-176.6-27.300105.6K8 K12K8-Q10 PolarHBondContact O-N 3.06Å; K8-Q10 VanDerWaalsContact O-N 3.14Å; Q10-K12 PolarHBondContact O-N 2.82Å
11D68.6Low70.5Confident133 Ų133110.1 Ų110.171%0.71158%0.579SS**  trans-64.5110.2173.6-68.8-18.9000104.8T9T9-D11 WeakPolarHBondContact CB-OD1 3.38Å; T9-D11 PolarHBondContact O-N 2.7Å; T9-D11 PolarHBondContact OG1-OD1 3Å
12K80.6Confident73.1Confident107 Ų10798.8 Ų98.847%0.46552%0.524SS..  trans-47.8138.8176.9-69.9173.5178.4171.50108Q10 L17 E20Q10-K12 PolarHBondContact O-N 2.82Å; K12-L17 HydrophobicContact CB-CD2 3.89Å; K12-L17 HydrophobicContact CB-CG 4.06Å; K12-L17 HydrophobicContact CD-CD2 4.1Å; K12-E20 IonicContact NZ-OE1 2.65Å; K12-E20 IonicContact NZ-OE2 3.81Å; K12-E20 PolarHBondContact NZ-OE2 3.35Å
13P88.9Confident75.9Confident68 Ų6894.3 Ų94.344%0.44251%0.509SS..  trans-59145-17726.4-34.3000109.5K15 D16 L17P13-K15 PolarHBondContact O-N 3.09Å; P13-D16 WeakPolarHBondContact CD-OD2 3.46Å; P13-D16 HydrophobicContact CG-CB 3.93Å; P13-D16 WeakPolarHBondContact CG-OD2 3.43Å; P13-D16 PolarHBondContact O-N 3.29Å; P13-L17 PolarHBondContact O-N 3.43Å
14P89.6Confident77.7Confident55 Ų5589.2 Ų89.236%0.35748%0.482SS..Hα-helixtrans-53.7-32.3-172.5-29.734.7000114.4D16 L17 V18 L100 L106P14-D16 PolarHBondContact O-N 3.45Å; P14-L17 PolarHBondContact O-N 3.02Å; P14-V18 WeakPolarHBondContact O-CG2 3.35Å; P14-V18 PolarHBondContact O-N 3.15Å; P14-L100 HydrophobicContact CB-CD1 3.91Å; P14-L100 HydrophobicContact CB-CD2 3.95Å; P14-L100 HydrophobicContact CG-CD1 4.33Å; P14-L106 HydrophobicContact CB-CD1 3.91Å; P14-L106 HydrophobicContact CB-CD2 4.35Å; P14-L106 HydrophobicContact CB-CG 3.93Å
15K92.6Very high80.1Confident114 Ų11485.9 Ų85.950%0.49645%0.448SS..Hα-helixtrans-60.9-42.6174.4-178.1-179174.5-169.30112.6P13 V18 N19 L97 L100P13-K15 PolarHBondContact O-N 3.09Å; K15-V18 PolarHBondContact O-N 3.49Å; K15-N19 VanDerWaalsContact O-CG 3.28Å; K15-N19 PolarHBondContact O-N 2.74Å; K15-N19 VanDerWaalsContact O-N 3.08Å; K15-N19 PolarHBondContact O-ND2 2.82Å; K15-N19 VanDerWaalsContact O-ND2 3.14Å; K15-L97 HydrophobicContact CB-CD2 4.49Å; K15-L97 HydrophobicContact CG-CD2 4.04Å; K15-L100 HydrophobicContact CB-CD2 3.83Å
16D93.4Very high81.8Confident79 Ų7984.3 Ų84.342%0.42243%0.432SS..Hα-helixtrans-72.4-37-178.1-68.2-9.4000110.6P13 P14 N19 E20P13-D16 WeakPolarHBondContact CD-OD2 3.46Å; P13-D16 HydrophobicContact CG-CB 3.93Å; P13-D16 WeakPolarHBondContact CG-OD2 3.43Å; P13-D16 PolarHBondContact O-N 3.29Å; P14-D16 PolarHBondContact O-N 3.45Å; D16-N19 PolarHBondContact O-N 3.06Å; D16-E20 WeakPolarHBondContact O-CB 3.35Å; D16-E20 PolarHBondContact O-N 3.5Å
17L93Very high83.8Confident40 Ų4081.2 Ų81.221%0.20942%0.418CS..Hα-helixtrans-58.6-49.9171.5-67.6176.3000111.7K12 P13 P14 N19 E20 W21K12-L17 HydrophobicContact CB-CD2 3.89Å; K12-L17 HydrophobicContact CB-CG 4.06Å; K12-L17 HydrophobicContact CD-CD2 4.1Å; P13-L17 PolarHBondContact O-N 3.43Å; P14-L17 PolarHBondContact O-N 3.02Å; L17-N19 VanDerWaalsContact C-N 3.29Å; L17-N19 PolarHBondContact O-N 3.24Å; L17-E20 PolarHBondContact O-N 2.99Å; L17-E20 VanDerWaalsContact O-N 3.15Å; L17-W21 HydrophobicContact CB-CD2 4.45Å; L17-W21 HydrophobicContact CB-CE3 4.45Å; L17-W21 HydrophobicContact CB-CH2 3.64Å; L17-W21 HydrophobicContact CB-CZ2 3.7Å; L17-W21 HydrophobicContact CB-CZ3 4.03Å; L17-W21 HydrophobicContact CD1-CH2 4.16Å; L17-W21 HydrophobicContact CD1-CZ2 4.21Å; L17-W21 HydrophobicContact CD2-CZ2 4.34Å; L17-W21 HydrophobicContact CG-CH2 4.46Å; L17-W21 HydrophobicContact CG-CZ2 4.31Å; L17-W21 VanDerWaalsContact O-CD2 3.22Å; L17-W21 PolarHBondContact O-N 2.85Å
18V94.1Very high86.2Confident0 Ų078.2 Ų78.20%038%0.383CS..Hα-helixtrans-61.3-38.8178.8174.40000111.8P14 K15 W21 S22 M93 Q96 L97 L106P14-V18 WeakPolarHBondContact O-CG2 3.35Å; P14-V18 PolarHBondContact O-N 3.15Å; K15-V18 PolarHBondContact O-N 3.49Å; V18-W21 HydrophobicContact CB-CE3 4.46Å; V18-W21 HydrophobicContact CG2-CE3 4.08Å; V18-W21 HydrophobicContact CG2-CZ3 3.85Å; V18-S22 VanDerWaalsContact O-CB 3.26Å; V18-S22 WeakPolarHBondContact O-CB 3.05Å; V18-S22 PolarHBondContact O-N 2.67Å; V18-S22 PolarHBondContact O-OG 3.18Å; V18-M93 HydrophobicContact CG1-CB 3.88Å; V18-M93 HydrophobicContact CG1-CG 4.46Å; V18-M93 WeakPolarHBondContact CG1-O 3.27Å; V18-M93 HydrophobicContact CG1-SD 4.24Å; V18-Q96 HydrophobicContact CG2-CB 4.42Å; V18-L97 HydrophobicContact CB-CD2 3.79Å; V18-L97 HydrophobicContact CB-CG 4.39Å; V18-L97 HydrophobicContact CG1-CD1 4.32Å; V18-L97 HydrophobicContact CG1-CD2 3.67Å; V18-L97 HydrophobicContact CG1-CG 3.7Å; V18-L97 HydrophobicContact CG2-CD2 4.43Å; V18-L106 HydrophobicContact CG2-CD2 3.77Å
19N94.7Very high88.6Confident65 Ų6570 Ų7035%0.34835%0.348SS..Hα-helixtrans-65.6-44.1174.9-72-32.4000111.8K15 D16 L17 S22 L23K15-N19 VanDerWaalsContact O-CG 3.28Å; K15-N19 PolarHBondContact O-N 2.74Å; K15-N19 VanDerWaalsContact O-N 3.08Å; K15-N19 PolarHBondContact O-ND2 2.82Å; K15-N19 VanDerWaalsContact O-ND2 3.14Å; D16-N19 PolarHBondContact O-N 3.06Å; L17-N19 VanDerWaalsContact C-N 3.29Å; L17-N19 PolarHBondContact O-N 3.24Å; N19-S22 PolarHBondContact O-N 3.24Å; N19-L23 WeakPolarHBondContact O-CG 3.43Å; N19-L23 PolarHBondContact O-N 3.45Å
20E95.8Very high90.9Very high54 Ų5471.5 Ų71.525%0.25234%0.342SS..Hα-helixtrans-61.9-48.8178-174.9177163.100111.5K12 D16 L17 S22 L23 K24K12-E20 IonicContact NZ-OE1 2.65Å; K12-E20 IonicContact NZ-OE2 3.81Å; K12-E20 PolarHBondContact NZ-OE2 3.35Å; D16-E20 WeakPolarHBondContact O-CB 3.35Å; D16-E20 PolarHBondContact O-N 3.5Å; L17-E20 PolarHBondContact O-N 2.99Å; L17-E20 VanDerWaalsContact O-N 3.15Å; E20-S22 VanDerWaalsContact C-N 3.31Å; E20-S22 PolarHBondContact O-N 3.47Å; E20-L23 WeakPolarHBondContact O-CB 3.26Å; E20-L23 PolarHBondContact O-N 3.17Å; E20-L23 VanDerWaalsContact O-N 3.08Å; E20-K24 PolarHBondContact O-N 3.5Å; E20-K24 WeakPolarHBondContact OE1-CE 3.47Å; E20-K24 IonicContact OE1-NZ 3.02Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å
21W95.4Very high93.2Very high2 Ų264 Ų641%0.00831%0.31CS..Hα-helixtrans-59.5-43.1175.2-60.1-29.8000111.7L17 V18 L23 K24 I25 M93 L106 L132 E135 M136 A139 I141L17-W21 HydrophobicContact CB-CD2 4.45Å; L17-W21 HydrophobicContact CB-CE3 4.45Å; L17-W21 HydrophobicContact CB-CH2 3.64Å; L17-W21 HydrophobicContact CB-CZ2 3.7Å; L17-W21 HydrophobicContact CB-CZ3 4.03Å; L17-W21 HydrophobicContact CD1-CH2 4.16Å; L17-W21 HydrophobicContact CD1-CZ2 4.21Å; L17-W21 HydrophobicContact CD2-CZ2 4.34Å; L17-W21 HydrophobicContact CG-CH2 4.46Å; L17-W21 HydrophobicContact CG-CZ2 4.31Å; L17-W21 VanDerWaalsContact O-CD2 3.22Å; L17-W21 PolarHBondContact O-N 2.85Å; V18-W21 HydrophobicContact CB-CE3 4.46Å; V18-W21 HydrophobicContact CG2-CE3 4.08Å; V18-W21 HydrophobicContact CG2-CZ3 3.85Å; W21-L23 PolarHBondContact O-N 3.39Å; W21-K24 PolarHBondContact O-N 3.41Å; W21-I25 WeakPolarHBondContact O-CG1 3.43Å; W21-I25 PolarHBondContact O-N 3.15Å; W21-M93 HydrophobicContact CE3-SD 3.96Å; W21-L106 HydrophobicContact CH2-CD1 4.47Å; W21-L106 HydrophobicContact CZ3-CD1 4.43Å; W21-L132 HydrophobicContact CB-CD2 4.01Å; W21-L132 HydrophobicContact CG-CD2 3.91Å; W21-E135 HydrophobicContact CZ2-CB 4.1Å; W21-E135 PolarHBondContact NE1-OE2 3.19Å; W21-M136 HydrophobicContact CB-CE 3.71Å; W21-M136 HydrophobicContact CD2-CE 4.06Å; W21-M136 HydrophobicContact CD2-CG 4.01Å; W21-M136 HydrophobicContact CE3-CE 4.13Å; W21-M136 HydrophobicContact CE3-CG 4Å; W21-M136 HydrophobicContact CG-CE 3.91Å; W21-M136 HydrophobicContact CH2-CG 4.48Å; W21-M136 HydrophobicContact CZ2-CG 4.41Å; W21-M136 HydrophobicContact CZ3-CG 4.29Å; W21-A139 HydrophobicContact CH2-CB 3.38Å; W21-A139 HydrophobicContact CZ2-CB 3.98Å; W21-A139 HydrophobicContact CZ3-CB 4.41Å; W21-I141 HydrophobicContact CE3-CD1 4.12Å; W21-I141 HydrophobicContact CH2-CD1 4.19Å; W21-I141 HydrophobicContact CZ3-CD1 3.41Å; W21-I141 VanDerWaalsContact CZ3-CD1 3.41Å
22S96.5Very high94.5Very high8 Ų857.7 Ų57.76%0.05628%0.276CS..Hα-helixtrans-63.4-30.7177.1-600000112.4V18 N19 E20 R26V18-S22 VanDerWaalsContact O-CB 3.26Å; V18-S22 WeakPolarHBondContact O-CB 3.05Å; V18-S22 PolarHBondContact O-N 2.67Å; V18-S22 PolarHBondContact O-OG 3.18Å; N19-S22 PolarHBondContact O-N 3.24Å; E20-S22 VanDerWaalsContact C-N 3.31Å; E20-S22 PolarHBondContact O-N 3.47Å; S22-R26 VanDerWaalsContact CB-NH1 3.32Å; S22-R26 VanDerWaalsContact O-CG 3.26Å; S22-R26 WeakPolarHBondContact O-CG 3.33Å; S22-R26 PolarHBondContact O-N 3.5Å; S22-R26 PolarHBondContact O-NH1 3.37Å
23L97.3Very high95.3Very high116 Ų11654.9 Ų54.961%0.60727%0.266SS*.Hα-helixtrans-74.3-45174.3-72.9170.8000111.5N19 E20 W21 R26 K27N19-L23 WeakPolarHBondContact O-CG 3.43Å; N19-L23 PolarHBondContact O-N 3.45Å; E20-L23 WeakPolarHBondContact O-CB 3.26Å; E20-L23 PolarHBondContact O-N 3.17Å; E20-L23 VanDerWaalsContact O-N 3.08Å; W21-L23 PolarHBondContact O-N 3.39Å; L23-R26 PolarHBondContact O-N 3.26Å; L23-K27 PolarHBondContact O-N 2.93Å
24K97Very high95.8Very high55 Ų5557 Ų5724%0.23927%0.265CS..Hα-helixtrans-56.2-52175-71.7177179.8179.10110.2E20 W21 R26 K27 E28 L132 E135E20-K24 PolarHBondContact O-N 3.5Å; E20-K24 WeakPolarHBondContact OE1-CE 3.47Å; E20-K24 IonicContact OE1-NZ 3.02Å; E20-K24 PolarHBondContact OE1-NZ 2.9Å; W21-K24 PolarHBondContact O-N 3.41Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.02Å; K24-K27 WeakPolarHBondContact O-CA 3.46Å; K24-K27 VanDerWaalsContact O-CB 3.26Å; K24-K27 WeakPolarHBondContact O-CB 3.42Å; K24-K27 PolarHBondContact O-N 3.11Å; K24-E28 PolarHBondContact O-N 3.25Å; K24-E28 VanDerWaalsContact O-N 3.09Å; K24-L132 HydrophobicContact CB-CD1 4.16Å; K24-L132 HydrophobicContact CB-CD2 4.12Å; K24-L132 HydrophobicContact CD-CD2 3.62Å; K24-L132 HydrophobicContact CD-CG 4.38Å; K24-L132 HydrophobicContact CG-CD2 4.5Å; K24-E135 IonicContact NZ-OE1 3.59Å; K24-E135 PolarHBondContact NZ-OE1 3.43Å; K24-E135 IonicContact NZ-OE2 3.83Å; K24-E135 PolarHBondContact NZ-OE2 3.25Å
25I96.6Very high96.1Very high1 Ų156.3 Ų56.31%0.00526%0.257CS..Hα-helixtrans-58-44.5178.2-65.3166.1000111.7W21 K27 E28 M29 M86 V89 L90 L132 M136W21-I25 WeakPolarHBondContact O-CG1 3.43Å; W21-I25 PolarHBondContact O-N 3.15Å; I25-K27 PolarHBondContact O-N 3.45Å; I25-E28 PolarHBondContact O-N 3.25Å; I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 WeakPolarHBondContact O-CG 3.16Å; I25-M29 PolarHBondContact O-N 3.4Å; I25-M86 HydrophobicContact CG2-CB 3.83Å; I25-M86 HydrophobicContact CG2-CG 4.08Å; I25-M86 HydrophobicContact CG2-SD 4.41Å; I25-V89 HydrophobicContact CD1-CB 4.17Å; I25-V89 HydrophobicContact CD1-CG1 3.42Å; I25-V89 VanDerWaalsContact CD1-CG1 3.42Å; I25-L90 HydrophobicContact CB-CD2 4.14Å; I25-L90 HydrophobicContact CB-CG 4.41Å; I25-L90 HydrophobicContact CG2-CD1 4.13Å; I25-L90 HydrophobicContact CG2-CD2 4.1Å; I25-L90 HydrophobicContact CG2-CG 3.82Å; I25-L132 HydrophobicContact CG1-CD1 3.75Å; I25-M136 HydrophobicContact CD1-CE 4.15Å
26R97.8Very high96.3Very high109 Ų10951.1 Ų51.141%0.41123%0.234SC..Hα-helixtrans-63.6-29.6176.5-75-177.7-166.199.1-4.1113S22 L23 K24 R30 L90S22-R26 VanDerWaalsContact CB-NH1 3.32Å; S22-R26 VanDerWaalsContact O-CG 3.26Å; S22-R26 WeakPolarHBondContact O-CG 3.33Å; S22-R26 PolarHBondContact O-N 3.5Å; S22-R26 PolarHBondContact O-NH1 3.37Å; L23-R26 PolarHBondContact O-N 3.26Å; K24-R26 VanDerWaalsContact C-N 3.35Å; K24-R26 PolarHBondContact O-N 3.02Å; R26-R30 VanDerWaalsContact C-NH1 3.29Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 2.84Å; R26-R30 PolarHBondContact O-NH1 2.68Å; R26-L90 HydrophobicContact CG-CD1 3.91Å; R26-L90 HydrophobicContact CG-CD2 4.2Å
27K97.5Very high96.5Very high133 Ų13353.5 Ų53.558%0.57824%0.238SC*.Hα-helixtrans-67.4-46.5174.5-171.7-174175.2-169.40110.1L23 K24 I25 M29 R30 V31L23-K27 PolarHBondContact O-N 2.93Å; K24-K27 WeakPolarHBondContact O-CA 3.46Å; K24-K27 VanDerWaalsContact O-CB 3.26Å; K24-K27 WeakPolarHBondContact O-CB 3.42Å; K24-K27 PolarHBondContact O-N 3.11Å; I25-K27 PolarHBondContact O-N 3.45Å; K27-M29 VanDerWaalsContact C-N 3.35Å; K27-M29 PolarHBondContact O-N 2.85Å; K27-R30 WeakPolarHBondContact O-CB 3.27Å; K27-R30 PolarHBondContact O-N 2.93Å; K27-V31 PolarHBondContact O-N 3.47Å
28E96.8Very high96.7Very high17 Ų1755 Ų558%0.07925%0.246CC..Hα-helixtrans-65.3-35.8178.2-59.2-44.2126.400112.7K24 I25 R30 V31 I32 M86 I125 T128 M129K24-E28 PolarHBondContact O-N 3.25Å; K24-E28 VanDerWaalsContact O-N 3.09Å; I25-E28 PolarHBondContact O-N 3.25Å; E28-R30 PolarHBondContact O-N 3.48Å; E28-V31 WeakPolarHBondContact O-CA 3.23Å; E28-V31 WeakPolarHBondContact O-CB 3.37Å; E28-V31 PolarHBondContact O-N 2.73Å; E28-I32 PolarHBondContact O-N 2.87Å; E28-M86 HydrophobicContact CB-SD 4.23Å; E28-I125 HydrophobicContact CB-CB 4.32Å; E28-I125 HydrophobicContact CB-CG2 3.8Å; E28-I125 HydrophobicContact CG-CG2 4.35Å; E28-I125 WeakPolarHBondContact OE2-CG2 3.32Å; E28-T128 HydrophobicContact CG-CG2 4.43Å; E28-T128 WeakPolarHBondContact CG-OG1 3.33Å; E28-M129 HydrophobicContact CB-CE 3.67Å; E28-M129 HydrophobicContact CG-CE 3.91Å
29M97.5Very high96.8Very high20 Ų2056.9 Ų56.910%0.09926%0.255CS..Hα-helixtrans-54.3-38.2169.4-71.1-179.578.300112.8I25 K27 V31 I32 D33 K83 M86 N87 L90I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 WeakPolarHBondContact O-CG 3.16Å; I25-M29 PolarHBondContact O-N 3.4Å; K27-M29 VanDerWaalsContact C-N 3.35Å; K27-M29 PolarHBondContact O-N 2.85Å; M29-V31 VanDerWaalsContact C-N 3.34Å; M29-I32 PolarHBondContact O-N 3.08Å; M29-D33 PolarHBondContact O-N 3.22Å; M29-K83 HydrophobicContact CE-CG 3.97Å; M29-M86 HydrophobicContact CB-CE 4.18Å; M29-M86 HydrophobicContact CB-SD 4.37Å; M29-M86 HydrophobicContact CG-CB 3.87Å; M29-M86 HydrophobicContact CG-CE 3.6Å; M29-M86 HydrophobicContact CG-CG 4.36Å; M29-M86 HydrophobicContact CG-SD 3.57Å; M29-M86 VanDerWaalsContact CG-SD 3.57Å; M29-M86 HydrophobicContact SD-CB 4.36Å; M29-N87 WeakPolarHBondContact CE-OD1 3.26Å; M29-L90 HydrophobicContact SD-CD1 3.48Å; M29-L90 WeakPolarHBondContact SD-CD1 3.36Å
30R97.6Very high96.9Very high134 Ų13457.1 Ų57.151%0.50626%0.255SS..Hα-helixtrans-74.5-25.3177.7-62.6178.5-169.696.7-12.9112.7R26 K27 E28 R34R26-R30 VanDerWaalsContact C-NH1 3.29Å; R26-R30 WeakPolarHBondContact O-CG 3.33Å; R26-R30 PolarHBondContact O-N 2.84Å; R26-R30 PolarHBondContact O-NH1 2.68Å; K27-R30 WeakPolarHBondContact O-CB 3.27Å; K27-R30 PolarHBondContact O-N 2.93Å; E28-R30 PolarHBondContact O-N 3.48Å; R30-R34 VanDerWaalsContact O-CZ 3.23Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 VanDerWaalsContact O-N 3.14Å; R30-R34 PolarHBondContact O-NH2 2.92Å
31V96.4Very high97Very high35 Ų3561.4 Ų61.421%0.21227%0.268CS..Hα-helixtrans-66.2-52.1171.6177.50000108.2K27 E28 M29 D33 R34 Q35K27-V31 PolarHBondContact O-N 3.47Å; E28-V31 WeakPolarHBondContact O-CA 3.23Å; E28-V31 WeakPolarHBondContact O-CB 3.37Å; E28-V31 PolarHBondContact O-N 2.73Å; M29-V31 VanDerWaalsContact C-N 3.34Å; V31-D33 VanDerWaalsContact C-N 3.32Å; V31-D33 PolarHBondContact O-N 3.19Å; V31-R34 WeakPolarHBondContact O-CA 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.42Å; V31-R34 PolarHBondContact O-N 2.7Å; V31-Q35 WeakPolarHBondContact O-CG 3.25Å; V31-Q35 PolarHBondContact O-N 2.78Å
32I96.2Very high97.1Very high0 Ų065.7 Ų65.70%029%0.289CS..Hα-helixtrans-57.4-43.4176.1-75.3171.8000111.7E28 M29 R34 Q35 I36 L79 K83 M86 I125E28-I32 PolarHBondContact O-N 2.87Å; M29-I32 PolarHBondContact O-N 3.08Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.4Å; I32-Q35 PolarHBondContact O-N 3.15Å; I32-Q35 VanDerWaalsContact O-N 3.14Å; I32-I36 HydrophobicContact CG2-CD1 3.82Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CG1 3.41Å; I32-I36 PolarHBondContact O-N 3.33Å; I32-L79 HydrophobicContact CG1-CD2 4.24Å; I32-L79 HydrophobicContact CG2-CB 4.12Å; I32-L79 HydrophobicContact CG2-CD2 4.37Å; I32-K83 HydrophobicContact CG2-CB 4.45Å; I32-M86 HydrophobicContact CB-CE 4.28Å; I32-M86 HydrophobicContact CD1-CE 3.21Å; I32-M86 HydrophobicContact CD1-SD 4.08Å; I32-M86 HydrophobicContact CG1-CE 4.22Å; I32-I125 HydrophobicContact CD1-CD1 3.62Å; I32-I125 HydrophobicContact CD1-CG1 4.26Å; I32-I125 HydrophobicContact CD1-CG2 4Å; I32-I125 HydrophobicContact CG1-CG2 4.12Å
33D97.4Very high97Very high48 Ų4866.8 Ų66.826%0.25729%0.293SS..Hα-helixtrans-64.5-26.6175.8-76.8-28.6000114.2M29 V31 R37 K83M29-D33 PolarHBondContact O-N 3.22Å; V31-D33 VanDerWaalsContact C-N 3.32Å; V31-D33 PolarHBondContact O-N 3.19Å; D33-R37 WeakPolarHBondContact O-CG 3.18Å; D33-R37 PolarHBondContact O-NE 3.14Å; D33-K83 WeakPolarHBondContact OD1-CE 3.28Å; D33-K83 IonicContact OD1-NZ 3.18Å; D33-K83 PolarHBondContact OD1-NZ 2.9Å; D33-K83 IonicContact OD2-NZ 2.67Å; D33-K83 PolarHBondContact OD2-NZ 3.18Å
34R97.7Very high96.9Very high112 Ų11266.6 Ų66.642%0.42329%0.289SS..Hα-helixtrans-72.3-47.7170.1-88.9-179.2-66.9-85.8-4.3110.3R30 V31 I32 I36 R37 D38R30-R34 VanDerWaalsContact O-CZ 3.23Å; R30-R34 PolarHBondContact O-N 2.94Å; R30-R34 VanDerWaalsContact O-N 3.14Å; R30-R34 PolarHBondContact O-NH2 2.92Å; V31-R34 WeakPolarHBondContact O-CA 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.42Å; V31-R34 PolarHBondContact O-N 2.7Å; I32-R34 VanDerWaalsContact C-N 3.27Å; I32-R34 PolarHBondContact O-N 3.4Å; R34-I36 PolarHBondContact O-N 2.7Å; R34-R37 WeakPolarHBondContact O-CB 3.17Å; R34-R37 PolarHBondContact O-N 2.99Å; R34-R37 VanDerWaalsContact O-N 3.09Å; R34-D38 PolarHBondContact O-N 3.33Å
35Q96.4Very high96.9Very high41 Ų4169.3 Ų69.319%0.19230%0.301CS..Hα-helixtrans-61-43.5-178.6-64.6-166.1-83.500113.2V31 I32 R37 D38 I39 L79 E124V31-Q35 WeakPolarHBondContact O-CG 3.25Å; V31-Q35 PolarHBondContact O-N 2.78Å; I32-Q35 PolarHBondContact O-N 3.15Å; I32-Q35 VanDerWaalsContact O-N 3.14Å; Q35-R37 VanDerWaalsContact C-N 3.27Å; Q35-R37 PolarHBondContact O-N 3.34Å; Q35-D38 PolarHBondContact O-N 3.08Å; Q35-D38 VanDerWaalsContact O-N 3.1Å; Q35-I39 WeakPolarHBondContact O-CG1 3.36Å; Q35-I39 PolarHBondContact O-N 3.09Å; Q35-L79 HydrophobicContact CB-CD1 4.03Å; Q35-E124 VanDerWaalsContact CD-CG 3.47Å; Q35-E124 PolarHBondContact NE2-OE1 2.87Å; Q35-E124 VanDerWaalsContact OE1-CD 3.25Å; Q35-E124 VanDerWaalsContact OE1-CG 3.26Å; Q35-E124 PolarHBondContact OE1-OE1 2.96Å
36I97.1Very high96.9Very high4 Ų470 Ų702%0.02130%0.304CS..Hα-helixtrans-55.4-46.4174.4-69.6169.5000110.2I32 R34 D38 Q40 V76 L79 Y80I32-I36 HydrophobicContact CG2-CD1 3.82Å; I32-I36 HydrophobicContact CG2-CG1 4.36Å; I32-I36 WeakPolarHBondContact O-CG1 3.41Å; I32-I36 PolarHBondContact O-N 3.33Å; R34-I36 PolarHBondContact O-N 2.7Å; I36-D38 VanDerWaalsContact C-N 3.35Å; I36-D38 PolarHBondContact O-N 3.48Å; I36-Q40 HydrophobicContact CG2-CG 4.45Å; I36-Q40 WeakPolarHBondContact O-CB 3.47Å; I36-Q40 WeakPolarHBondContact O-CG 3.35Å; I36-Q40 PolarHBondContact O-N 3.18Å; I36-V76 HydrophobicContact CG2-CG1 4.26Å; I36-L79 HydrophobicContact CD1-CB 4Å; I36-L79 HydrophobicContact CG1-CB 3.74Å; I36-L79 HydrophobicContact CG1-CD1 3.88Å; I36-L79 HydrophobicContact CG1-CG 4.48Å; I36-Y80 HydrophobicContact CD1-CD1 3.92Å; I36-Y80 HydrophobicContact CD1-CD2 4.47Å; I36-Y80 HydrophobicContact CD1-CE1 3.85Å; I36-Y80 HydrophobicContact CD1-CE2 4.43Å; I36-Y80 HydrophobicContact CD1-CG 4.22Å; I36-Y80 HydrophobicContact CG2-CE2 4.13Å
37R97.9Very high96.7Very high130 Ų13069.5 Ų69.549%0.49131%0.305SS..Hα-helixtrans-66.9-35.7177.9-73.6-176.9-68140.3-6.4112.7D33 R34 Q35 R41D33-R37 WeakPolarHBondContact O-CG 3.18Å; D33-R37 PolarHBondContact O-NE 3.14Å; R34-R37 WeakPolarHBondContact O-CB 3.17Å; R34-R37 PolarHBondContact O-N 2.99Å; R34-R37 VanDerWaalsContact O-N 3.09Å; Q35-R37 VanDerWaalsContact C-N 3.27Å; Q35-R37 PolarHBondContact O-N 3.34Å; R37-R41 VanDerWaalsContact O-CG 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 3.42Å
38D97.4Very high96.6Very high72 Ų7270.9 Ų70.939%0.38531%0.307SS..Hα-helixtrans-67.7-45.4179.3-64.1-20.7000110.6R34 Q35 I36 R41 E42R34-D38 PolarHBondContact O-N 3.33Å; Q35-D38 PolarHBondContact O-N 3.08Å; Q35-D38 VanDerWaalsContact O-N 3.1Å; I36-D38 VanDerWaalsContact C-N 3.35Å; I36-D38 PolarHBondContact O-N 3.48Å; D38-R41 PolarHBondContact O-N 3.05Å; D38-R41 IonicContact OD1-CZ 3.49Å; D38-R41 IonicContact OD1-NE 2.71Å; D38-R41 IonicContact OD1-NH2 3.58Å; D38-R41 PolarHBondContact OD1-NH2 2.97Å; D38-E42 PolarHBondContact O-N 3.46Å
39I96.4Very high96.5Very high38 Ų3872.8 Ų72.820%0.19532%0.322CS..Hα-helixtrans-62.8-48.1175.2-62.8165.1000110.6Q35 R41 E42 E43 A75 V76 L79Q35-I39 WeakPolarHBondContact O-CG1 3.36Å; Q35-I39 PolarHBondContact O-N 3.09Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 2.82Å; I39-E42 CarbonylContact O-C 3.6Å; I39-E42 WeakPolarHBondContact O-CA 3.45Å; I39-E42 WeakPolarHBondContact O-CB 3.3Å; I39-E42 PolarHBondContact O-N 2.84Å; I39-E43 HydrophobicContact CG2-CG 4.33Å; I39-E43 WeakPolarHBondContact O-CG 3.15Å; I39-E43 PolarHBondContact O-N 3.14Å; I39-A75 HydrophobicContact CD1-CB 4.44Å; I39-V76 HydrophobicContact CB-CG2 3.98Å; I39-V76 HydrophobicContact CD1-CG2 4.37Å; I39-V76 HydrophobicContact CG2-CG2 3.57Å; I39-L79 HydrophobicContact CD1-CD1 3.71Å
40Q96.8Very high96.3Very high71 Ų7171.8 Ų71.833%0.33232%0.317SS..Hα-helixtrans-59.1-36.7178.7-75.6172.9-14.400113I36 E42 E43 E44I36-Q40 HydrophobicContact CG2-CG 4.45Å; I36-Q40 WeakPolarHBondContact O-CB 3.47Å; I36-Q40 WeakPolarHBondContact O-CG 3.35Å; I36-Q40 PolarHBondContact O-N 3.18Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; Q40-E43 WeakPolarHBondContact O-CB 3.19Å; Q40-E43 PolarHBondContact O-N 3.25Å; Q40-E44 PolarHBondContact O-N 2.95Å; Q40-E44 VanDerWaalsContact O-N 3.1Å
41R97.4Very high96.1Very high144 Ų14469.8 Ų69.854%0.54331%0.312SS..Hα-helixtrans-67-34.1173.9-75.9-174.6-55-167.69.2112.4R37 D38 I39R37-R41 VanDerWaalsContact O-CG 3.31Å; R37-R41 WeakPolarHBondContact O-CG 3.39Å; R37-R41 PolarHBondContact O-N 3.42Å; D38-R41 PolarHBondContact O-N 3.05Å; D38-R41 IonicContact OD1-CZ 3.49Å; D38-R41 IonicContact OD1-NE 2.71Å; D38-R41 IonicContact OD1-NH2 3.58Å; D38-R41 PolarHBondContact OD1-NH2 2.97Å; I39-R41 VanDerWaalsContact C-N 3.28Å; I39-R41 PolarHBondContact O-N 2.82Å
42E96.4Very high96Very high92 Ų9272 Ų7243%0.4332%0.322SS..Hα-helixtrans-72.5-40.2175.1-16056.8-140.300111.1D38 I39 Q40 E44 K45 V46D38-E42 PolarHBondContact O-N 3.46Å; I39-E42 CarbonylContact O-C 3.6Å; I39-E42 WeakPolarHBondContact O-CA 3.45Å; I39-E42 WeakPolarHBondContact O-CB 3.3Å; I39-E42 PolarHBondContact O-N 2.84Å; Q40-E42 VanDerWaalsContact C-N 3.32Å; E42-E44 PolarHBondContact O-N 3.46Å; E42-K45 WeakPolarHBondContact O-CA 3.38Å; E42-K45 WeakPolarHBondContact O-CB 3.32Å; E42-K45 PolarHBondContact O-N 3.42Å; E42-K45 IonicContact OE1-NZ 3.27Å; E42-K45 IonicContact OE2-NZ 3.42Å; E42-K45 PolarHBondContact OE2-NZ 3.03Å; E42-V46 WeakPolarHBondContact O-CG2 3.26Å; E42-V46 PolarHBondContact O-N 2.81Å
43E95.2Very high95.8Very high31 Ų3172.4 Ų72.415%0.14533%0.326CS..Hα-helixtrans-54-41.1171.5-70.2-178.8171.500111.6I39 Q40 K45 V46 K47 M69 S72 K73I39-E43 HydrophobicContact CG2-CG 4.33Å; I39-E43 WeakPolarHBondContact O-CG 3.15Å; I39-E43 PolarHBondContact O-N 3.14Å; Q40-E43 WeakPolarHBondContact O-CB 3.19Å; Q40-E43 PolarHBondContact O-N 3.25Å; E43-K45 VanDerWaalsContact C-N 3.29Å; E43-K45 PolarHBondContact O-N 3.01Å; E43-V46 PolarHBondContact O-N 3.1Å; E43-K47 VanDerWaalsContact O-CB 3.31Å; E43-K47 WeakPolarHBondContact O-CB 3.46Å; E43-K47 PolarHBondContact O-N 3.31Å; E43-M69 HydrophobicContact CB-CE 4.2Å; E43-M69 HydrophobicContact CB-SD 3.96Å; E43-M69 HydrophobicContact CG-SD 3.92Å; E43-M69 WeakPolarHBondContact O-CE 3.34Å; E43-S72 VanDerWaalsContact OE1-C 3.31Å; E43-S72 VanDerWaalsContact OE1-CB 3.3Å; E43-S72 WeakPolarHBondContact OE1-CB 3.33Å; E43-K73 PolarHBondContact OE1-N 3.06Å
44E96.1Very high95.5Very high112 Ų11270.8 Ų70.852%0.52332%0.32SS..Hα-helixtrans-60.9-36.3175.6-73.8-175.7-176.200113.3Q40 E42 R48Q40-E44 PolarHBondContact O-N 2.95Å; Q40-E44 VanDerWaalsContact O-N 3.1Å; E42-E44 PolarHBondContact O-N 3.46Å; E44-R48 WeakPolarHBondContact O-CG 3.46Å; E44-R48 PolarHBondContact O-N 3.39Å
45K96.3Very high95.2Very high112 Ų11273.5 Ų73.549%0.48734%0.335SS..Hα-helixtrans-73.3-42.2176.6-61.4177.8-162.4157.80111.3E42 E43 K47 R48 S49E42-K45 WeakPolarHBondContact O-CA 3.38Å; E42-K45 WeakPolarHBondContact O-CB 3.32Å; E42-K45 PolarHBondContact O-N 3.42Å; E42-K45 IonicContact OE1-NZ 3.27Å; E42-K45 IonicContact OE2-NZ 3.42Å; E42-K45 PolarHBondContact OE2-NZ 3.03Å; E43-K45 VanDerWaalsContact C-N 3.29Å; E43-K45 PolarHBondContact O-N 3.01Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.23Å; K45-R48 PolarHBondContact O-N 3.29Å; K45-S49 PolarHBondContact O-N 2.74Å; K45-S49 PolarHBondContact O-OG 2.96Å
46V95.8Very high94.9Very high14 Ų1478.7 Ų78.79%0.08536%0.356CS..Hα-helixtrans-60-42.8174.9176.80000109.8E42 E43 R48 S49 I50 L65 M69E42-V46 WeakPolarHBondContact O-CG2 3.26Å; E42-V46 PolarHBondContact O-N 2.81Å; E43-V46 PolarHBondContact O-N 3.1Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 3.31Å; V46-S49 CarbonylContact O-C 3.59Å; V46-S49 WeakPolarHBondContact O-CB 3.34Å; V46-S49 PolarHBondContact O-N 3.09Å; V46-S49 VanDerWaalsContact O-N 3.09Å; V46-I50 HydrophobicContact CG1-CD1 3.95Å; V46-I50 HydrophobicContact CG1-CG1 4.33Å; V46-I50 WeakPolarHBondContact O-CG1 3.32Å; V46-I50 PolarHBondContact O-N 3.49Å; V46-L65 HydrophobicContact CG1-CB 4.18Å; V46-L65 HydrophobicContact CG1-CD2 4.34Å; V46-L65 WeakPolarHBondContact CG1-O 3.49Å; V46-M69 HydrophobicContact CB-CE 3.77Å; V46-M69 HydrophobicContact CG1-CE 3.67Å
47K95.1Very high94.4Very high99 Ų9981.1 Ų81.143%0.4338%0.383SS..Hα-helixtrans-59-40.6176-173.1176.7-175.5172.80112.8E43 K45 K51 M69 I173E43-K47 VanDerWaalsContact O-CB 3.31Å; E43-K47 WeakPolarHBondContact O-CB 3.46Å; E43-K47 PolarHBondContact O-N 3.31Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.23Å; K47-K51 WeakPolarHBondContact O-CG 3.21Å; K47-K51 PolarHBondContact O-N 3.11Å; K47-M69 HydrophobicContact CB-CE 4.29Å; K47-I173 HydrophobicContact CG-CD1 4.34Å; K47-I173 HydrophobicContact CG-CG1 4.29Å; K47-I173 HydrophobicContact CG-CG2 3.87Å
48R95.3Very high94.1Very high163 Ų16379.6 Ų79.662%0.61538%0.381SS*.Hα-helixtrans-65.3-44.4174.1-67.2173.4-160.8-1635110.8E44 K45 V46 I50 K51 D52E44-R48 WeakPolarHBondContact O-CG 3.46Å; E44-R48 PolarHBondContact O-N 3.39Å; K45-R48 PolarHBondContact O-N 3.29Å; V46-R48 VanDerWaalsContact C-N 3.33Å; V46-R48 PolarHBondContact O-N 3.31Å; R48-I50 PolarHBondContact O-N 2.8Å; R48-K51 WeakPolarHBondContact O-CB 3.26Å; R48-K51 PolarHBondContact O-N 3.43Å; R48-K51 VanDerWaalsContact O-N 3.16Å; R48-D52 PolarHBondContact O-N 3.46Å
49S94.4Very high93.7Very high56 Ų5681.5 Ų81.539%0.39238%0.383SS..Hα-helixtrans-61.8-41.2179.2-54.80000112.4K45 V46 K51 D52 A53K45-S49 PolarHBondContact O-N 2.74Å; K45-S49 PolarHBondContact O-OG 2.96Å; V46-S49 CarbonylContact O-C 3.59Å; V46-S49 WeakPolarHBondContact O-CB 3.34Å; V46-S49 PolarHBondContact O-N 3.09Å; V46-S49 VanDerWaalsContact O-N 3.09Å; S49-K51 PolarHBondContact O-N 3.21Å; S49-D52 PolarHBondContact O-N 2.79Å; S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.32Å; S49-A53 PolarHBondContact O-N 3.31Å
50I93.3Very high93.3Very high0 Ų086 Ų860%041%0.407CS..Hα-helixtrans-59.9-46.1173.7-68.9167.7000110.6V46 R48 D52 A53 A54 L65 M69 L170 I173 T174V46-I50 HydrophobicContact CG1-CD1 3.95Å; V46-I50 HydrophobicContact CG1-CG1 4.33Å; V46-I50 WeakPolarHBondContact O-CG1 3.32Å; V46-I50 PolarHBondContact O-N 3.49Å; R48-I50 PolarHBondContact O-N 2.8Å; I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D52 PolarHBondContact O-N 3.31Å; I50-A53 PolarHBondContact O-N 2.8Å; I50-A54 WeakPolarHBondContact O-CB 3.46Å; I50-A54 PolarHBondContact O-N 3.04Å; I50-L65 HydrophobicContact CD1-CB 4.04Å; I50-L65 HydrophobicContact CG1-CB 3.46Å; I50-L65 VanDerWaalsContact CG1-CB 3.46Å; I50-L65 HydrophobicContact CG1-CD1 4.06Å; I50-L65 HydrophobicContact CG1-CG 4.42Å; I50-M69 HydrophobicContact CD1-CE 4.43Å; I50-L170 HydrophobicContact CG2-CD2 4.05Å; I50-I173 HydrophobicContact CB-CG2 3.98Å; I50-I173 HydrophobicContact CD1-CD1 3.66Å; I50-I173 HydrophobicContact CG2-CB 4.25Å; I50-I173 HydrophobicContact CG2-CG2 3.62Å; I50-T174 HydrophobicContact CG2-CG2 4.03Å
51K93.3Very high93.1Very high92 Ų9286.1 Ų86.140%0.441%0.413SS..Hα-helixtrans-62.9-41.1178.9-71.9179.6177.2-169.50112.4K47 R48 S49 A54 K55 I173K47-K51 WeakPolarHBondContact O-CG 3.21Å; K47-K51 PolarHBondContact O-N 3.11Å; R48-K51 WeakPolarHBondContact O-CB 3.26Å; R48-K51 PolarHBondContact O-N 3.43Å; R48-K51 VanDerWaalsContact O-N 3.16Å; S49-K51 PolarHBondContact O-N 3.21Å; K51-A54 PolarHBondContact O-N 3.47Å; K51-K55 WeakPolarHBondContact O-CG 3.43Å; K51-K55 PolarHBondContact O-N 3Å; K51-K55 VanDerWaalsContact O-N 3.14Å; K51-I173 WeakPolarHBondContact CE-O 3.37Å; K51-I173 HydrophobicContact CG-CG2 3.89Å
52D93.7Very high92.8Very high80 Ų8079.2 Ų79.243%0.42839%0.387SS..Hα-helixtrans-73.1-37.8-179.4-69.4-23000112.1R48 S49 I50 A54 K55 K56R48-D52 PolarHBondContact O-N 3.46Å; S49-D52 PolarHBondContact O-N 2.79Å; I50-D52 VanDerWaalsContact C-N 3.35Å; I50-D52 PolarHBondContact O-N 3.31Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-K55 IonicContact OD1-NZ 3.83Å; D52-K56 WeakPolarHBondContact O-CG 3.41Å; D52-K56 PolarHBondContact O-N 3.4Å
53A92.3Very high92.6Very high9 Ų976.8 Ų76.87%0.07438%0.378CS..Hα-helixtrans-64.3-38.9171.500000111.8S49 I50 K56 G57 H58 V61 C62S49-A53 VanDerWaalsContact O-CB 3.31Å; S49-A53 WeakPolarHBondContact O-CB 3.32Å; S49-A53 PolarHBondContact O-N 3.31Å; I50-A53 PolarHBondContact O-N 2.8Å; A53-K56 PolarHBondContact O-N 3.29Å; A53-K56 VanDerWaalsContact O-N 3.16Å; A53-G57 PolarHBondContact O-N 3.09Å; A53-H58 PolarHBondContact O-N 2.96Å; A53-H58 VanDerWaalsContact O-N 3.12Å; A53-V61 HydrophobicContact CB-CB 4.33Å; A53-V61 HydrophobicContact CB-CG1 3.97Å; A53-C62 VanDerWaalsContact CB-SG 3.6Å
54A91.6Very high92.5Very high15 Ų1580 Ų8012%0.12440%0.4CS..Hα-helixtrans-62.7-43.8177.900000112.3I50 K51 D52 K56 G57 C62 T174 L178I50-A54 WeakPolarHBondContact O-CB 3.46Å; I50-A54 PolarHBondContact O-N 3.04Å; K51-A54 PolarHBondContact O-N 3.47Å; D52-A54 VanDerWaalsContact C-N 3.34Å; A54-K56 PolarHBondContact O-N 3.19Å; A54-G57 PolarHBondContact O-N 3.29Å; A54-C62 PolarHBondContact N-SG 3.27Å; A54-C62 VanDerWaalsContact N-SG 3.42Å; A54-T174 HydrophobicContact CB-CG2 3.59Å; A54-L178 HydrophobicContact CB-CD1 3.79Å; A54-L178 HydrophobicContact CB-CD2 4.04Å; A54-L178 HydrophobicContact CB-CG 3.85Å
55K90.5Very high92.3Very high169 Ų16976.6 Ų76.674%0.73539%0.385SS*.Hα-helixtrans-60.8-29.6175.4-71.5170.6-173.1166.20113.1K51 D52 G57K51-K55 WeakPolarHBondContact O-CG 3.43Å; K51-K55 PolarHBondContact O-N 3Å; K51-K55 VanDerWaalsContact O-N 3.14Å; D52-K55 IonicContact OD1-NZ 3.83Å; K55-G57 VanDerWaalsContact C-N 3.32Å
56K90.9Very high92.1Very high149 Ų14971.3 Ų71.365%0.64836%0.362SS*.THydrogen-bonded Turntrans-85.3-3.4178.1-64.9173.5-177.4178.50113.2D52 A53 A54 H58D52-K56 WeakPolarHBondContact O-CG 3.41Å; D52-K56 PolarHBondContact O-N 3.4Å; A53-K56 PolarHBondContact O-N 3.29Å; A53-K56 VanDerWaalsContact O-N 3.16Å; A54-K56 PolarHBondContact O-N 3.19Å; K56-H58 VanDerWaalsContact C-N 3.26Å; K56-H58 PolarHBondContact O-N 3.31Å
57G86.6Confident91.9Very high56 Ų5673.6 Ų73.658%0.57737%0.371SS*.THydrogen-bonded Turntrans72.315.2-177.400000114.3A53 A54 K55 R59A53-G57 PolarHBondContact O-N 3.09Å; A54-G57 PolarHBondContact O-N 3.29Å; K55-G57 VanDerWaalsContact C-N 3.32Å; G57-R59 VanDerWaalsContact C-N 3.33Å; G57-R59 PolarHBondContact O-N 2.9Å
58H91.3Very high91.8Very high98 Ų9873.2 Ų73.245%0.45437%0.37SS..  trans-81.976.5179.7-60.8-33.5000110.9A53 K56 D60 V61 C62A53-H58 PolarHBondContact O-N 2.96Å; A53-H58 VanDerWaalsContact O-N 3.12Å; K56-H58 VanDerWaalsContact C-N 3.26Å; K56-H58 PolarHBondContact O-N 3.31Å; H58-D60 PolarHBondContact O-N 3.25Å; H58-V61 HydrophobicContact CB-CB 4.06Å; H58-V61 HydrophobicContact CB-CG2 3.97Å; H58-V61 PolarHBondContact O-N 2.98Å; H58-C62 PolarHBondContact O-N 3.2Å; H58-C62 PolarHBondContact O-SG 3.27Å
59R88.4Confident91.7Very high111 Ų11165.9 Ų65.942%0.41934%0.343SS..Hα-helixtrans-59.7-42.7-175.6-172.5171.4173.488.98112.8G57 V61 C62 V63 D167 L178G57-R59 VanDerWaalsContact C-N 3.33Å; G57-R59 PolarHBondContact O-N 2.9Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 3.2Å; R59-C62 WeakPolarHBondContact O-CB 3.33Å; R59-C62 PolarHBondContact O-N 3.36Å; R59-C62 VanDerWaalsContact O-N 3.12Å; R59-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 3.01Å; R59-D167 IonicContact NH2-OD1 3.9Å; R59-L178 PolarHBondContact NH1-O 2.88Å; R59-L178 VanDerWaalsContact NH1-O 3.12Å
60D89.6Confident91.6Very high133 Ų13363.2 Ų63.271%0.71132%0.324SS*.Hα-helixtrans-62.2-40.1-178.5-53.3-35.4000112H58 C62 V63 V64H58-D60 PolarHBondContact O-N 3.25Å; D60-C62 VanDerWaalsContact C-N 3.35Å; D60-C62 PolarHBondContact O-N 3.31Å; D60-V63 PolarHBondContact O-N 2.98Å; D60-V64 WeakPolarHBondContact O-CG2 3.27Å; D60-V64 PolarHBondContact O-N 3.46Å; D60-V64 VanDerWaalsContact O-N 3.12Å
61V92.3Very high91.4Very high73 Ų7368.6 Ų68.644%0.44235%0.349SS..Hα-helixtrans-64.5-41.3176.1179.50000110.8A53 H58 R59 V63 V64 L65A53-V61 HydrophobicContact CB-CB 4.33Å; A53-V61 HydrophobicContact CB-CG1 3.97Å; H58-V61 HydrophobicContact CB-CB 4.06Å; H58-V61 HydrophobicContact CB-CG2 3.97Å; H58-V61 PolarHBondContact O-N 2.98Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 3.2Å; V61-V63 VanDerWaalsContact C-N 3.35Å; V61-V63 PolarHBondContact O-N 3.24Å; V61-V64 PolarHBondContact O-N 3.16Å; V61-L65 HydrophobicContact CG1-CD1 3.95Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.47Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.45Å
62C91.1Very high91.4Very high0 Ų064.9 Ų64.90%034%0.335CS..Hα-helixtrans-60.8-43.8175.5-65.60000111.5A53 A54 H58 R59 D60 L65 A66 L170 L178A53-C62 VanDerWaalsContact CB-SG 3.6Å; A54-C62 PolarHBondContact N-SG 3.27Å; A54-C62 VanDerWaalsContact N-SG 3.42Å; H58-C62 PolarHBondContact O-N 3.2Å; H58-C62 PolarHBondContact O-SG 3.27Å; R59-C62 WeakPolarHBondContact O-CB 3.33Å; R59-C62 PolarHBondContact O-N 3.36Å; R59-C62 VanDerWaalsContact O-N 3.12Å; D60-C62 VanDerWaalsContact C-N 3.35Å; D60-C62 PolarHBondContact O-N 3.31Å; C62-L65 PolarHBondContact O-N 2.92Å; C62-A66 VanDerWaalsContact O-CB 3.25Å; C62-A66 WeakPolarHBondContact O-CB 3.23Å; C62-A66 PolarHBondContact O-N 3.26Å; C62-L170 HydrophobicContact CB-CD2 3.67Å; C62-L170 WeakPolarHBondContact O-CD2 3.31Å; C62-L178 HydrophobicContact CB-CD1 3.84Å
63V91.2Very high91.4Very high41 Ų4165.5 Ų65.525%0.24833%0.334CS..Hα-helixtrans-60.4-46.9179172.70000111.2R59 D60 V61 A66 K67 V166 L170R59-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 3.01Å; D60-V63 PolarHBondContact O-N 2.98Å; V61-V63 VanDerWaalsContact C-N 3.35Å; V61-V63 PolarHBondContact O-N 3.24Å; V63-A66 PolarHBondContact O-N 3.19Å; V63-K67 WeakPolarHBondContact O-CG 3.06Å; V63-K67 PolarHBondContact O-N 2.67Å; V63-V166 HydrophobicContact CG1-CG1 4.34Å; V63-L170 HydrophobicContact CG2-CD1 4.08Å
64V92.6Very high91.4Very high99 Ų9969.1 Ų69.160%0.635%0.346SS*.Hα-helixtrans-61.4-47.4178.2174.50000111.2D60 V61 A66 K67 E68D60-V64 WeakPolarHBondContact O-CG2 3.27Å; D60-V64 PolarHBondContact O-N 3.46Å; D60-V64 VanDerWaalsContact O-N 3.12Å; V61-V64 PolarHBondContact O-N 3.16Å; V64-A66 VanDerWaalsContact C-N 3.27Å; V64-A66 PolarHBondContact O-N 3.06Å; V64-K67 PolarHBondContact O-N 3.18Å; V64-E68 PolarHBondContact O-N 3.4Å; V64-E68 VanDerWaalsContact O-N 3.08Å
65L93.2Very high91.3Very high40 Ų4070.3 Ų70.321%0.20936%0.356CS..Hα-helixtrans-66.1-30.1178.5-68.3174000112.7V46 I50 V61 C62 M69V46-L65 HydrophobicContact CG1-CB 4.18Å; V46-L65 HydrophobicContact CG1-CD2 4.34Å; V46-L65 WeakPolarHBondContact CG1-O 3.49Å; I50-L65 HydrophobicContact CD1-CB 4.04Å; I50-L65 HydrophobicContact CG1-CB 3.46Å; I50-L65 VanDerWaalsContact CG1-CB 3.46Å; I50-L65 HydrophobicContact CG1-CD1 4.06Å; I50-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 HydrophobicContact CG1-CD1 3.95Å; V61-L65 HydrophobicContact CG1-CG 4.42Å; V61-L65 WeakPolarHBondContact O-CB 3.47Å; V61-L65 VanDerWaalsContact O-CG 3.31Å; V61-L65 WeakPolarHBondContact O-CG 3.35Å; V61-L65 PolarHBondContact O-N 3.45Å; C62-L65 PolarHBondContact O-N 2.92Å; L65-M69 PolarHBondContact O-N 3.39Å
66A91.9Very high91.6Very high0 Ų062.9 Ų62.90%033%0.325CS..Hα-helixtrans-73.6-37.3174.700000112.1C62 V63 V64 E68 M69 V70 V166 I169 L170C62-A66 VanDerWaalsContact O-CB 3.25Å; C62-A66 WeakPolarHBondContact O-CB 3.23Å; C62-A66 PolarHBondContact O-N 3.26Å; V63-A66 PolarHBondContact O-N 3.19Å; V64-A66 VanDerWaalsContact C-N 3.27Å; V64-A66 PolarHBondContact O-N 3.06Å; A66-E68 VanDerWaalsContact C-N 3.31Å; A66-E68 PolarHBondContact O-N 2.83Å; A66-M69 WeakPolarHBondContact O-CB 3.44Å; A66-M69 PolarHBondContact O-N 3.48Å; A66-V70 WeakPolarHBondContact O-CG2 3.48Å; A66-V70 PolarHBondContact O-N 3.27Å; A66-V166 HydrophobicContact CB-CG1 3.66Å; A66-I169 HydrophobicContact CB-CG2 4.25Å; A66-L170 HydrophobicContact CB-CD1 4.31Å; A66-L170 HydrophobicContact CB-CD2 3.62Å; A66-L170 HydrophobicContact CB-CG 3.64Å
67K92.3Very high91.7Very high63 Ų6359.5 Ų59.527%0.27432%0.32SS..Hα-helixtrans-58.1-44.8169.7-72.5-173.8178-167.50110.9V63 V64 M69 V70 Q71 E160 V166V63-K67 WeakPolarHBondContact O-CG 3.06Å; V63-K67 PolarHBondContact O-N 2.67Å; V64-K67 PolarHBondContact O-N 3.18Å; K67-M69 VanDerWaalsContact C-N 3.31Å; K67-M69 PolarHBondContact O-N 2.82Å; K67-V70 WeakPolarHBondContact O-CB 3.04Å; K67-V70 PolarHBondContact O-N 3.21Å; K67-Q71 WeakPolarHBondContact O-CG 3.45Å; K67-Q71 PolarHBondContact O-N 2.8Å; K67-Q71 VanDerWaalsContact O-N 3.08Å; K67-E160 IonicContact NZ-OE1 2.59Å; K67-E160 PolarHBondContact NZ-OE1 3.41Å; K67-V166 HydrophobicContact CG-CG1 4.35Å; K67-V166 HydrophobicContact CG-CG2 3.84Å
68E91.4Very high92Very high91 Ų9161 Ų6143%0.42531%0.31SS..Hα-helixtrans-60.2-39.2174.9-174.561.2-155.300112.5V64 A66 Q71 S72V64-E68 PolarHBondContact O-N 3.4Å; V64-E68 VanDerWaalsContact O-N 3.08Å; A66-E68 VanDerWaalsContact C-N 3.31Å; A66-E68 PolarHBondContact O-N 2.83Å; E68-Q71 PolarHBondContact O-N 3.03Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.27Å; E68-S72 PolarHBondContact O-OG 3.38Å
69M93.6Very high92.1Very high8 Ų856.7 Ų56.74%0.03929%0.29CS..Hα-helixtrans-63.5-41.5175.2-174.364.859.500112.3E43 V46 K47 I50 L65 A66 K67 Q71 S72 K73 I169 I173E43-M69 HydrophobicContact CB-CE 4.2Å; E43-M69 HydrophobicContact CB-SD 3.96Å; E43-M69 HydrophobicContact CG-SD 3.92Å; E43-M69 WeakPolarHBondContact O-CE 3.34Å; V46-M69 HydrophobicContact CB-CE 3.77Å; V46-M69 HydrophobicContact CG1-CE 3.67Å; K47-M69 HydrophobicContact CB-CE 4.29Å; I50-M69 HydrophobicContact CD1-CE 4.43Å; L65-M69 PolarHBondContact O-N 3.39Å; A66-M69 WeakPolarHBondContact O-CB 3.44Å; A66-M69 PolarHBondContact O-N 3.48Å; K67-M69 VanDerWaalsContact C-N 3.31Å; K67-M69 PolarHBondContact O-N 2.82Å; M69-Q71 VanDerWaalsContact C-N 3.35Å; M69-S72 PolarHBondContact O-N 3.16Å; M69-K73 WeakPolarHBondContact O-CG 3.33Å; M69-K73 PolarHBondContact O-N 3.27Å; M69-I169 HydrophobicContact CB-CD1 4.35Å; M69-I169 HydrophobicContact CB-CG2 4.12Å; M69-I169 HydrophobicContact CG-CD1 4Å; M69-I169 HydrophobicContact CG-CG2 3.83Å; M69-I173 HydrophobicContact CE-CD1 4.35Å; M69-I173 HydrophobicContact CG-CD1 4.41Å
70V91.8Very high92.5Very high0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-60-48.2175175.70000110.1A66 K67 S72 K73 R74 A161 E165 V166 I169A66-V70 WeakPolarHBondContact O-CG2 3.48Å; A66-V70 PolarHBondContact O-N 3.27Å; K67-V70 WeakPolarHBondContact O-CB 3.04Å; K67-V70 PolarHBondContact O-N 3.21Å; V70-S72 PolarHBondContact O-N 2.94Å; V70-K73 PolarHBondContact O-N 2.94Å; V70-R74 HydrophobicContact CG1-CG 4.38Å; V70-R74 WeakPolarHBondContact O-CG 3.3Å; V70-R74 PolarHBondContact O-N 3.1Å; V70-A161 HydrophobicContact CB-CB 4Å; V70-A161 HydrophobicContact CG1-CB 3.78Å; V70-A161 HydrophobicContact CG2-CB 4.12Å; V70-E165 HydrophobicContact CG1-CG 4.34Å; V70-E165 WeakPolarHBondContact CG1-OE2 3.41Å; V70-E165 HydrophobicContact CG2-CG 3.97Å; V70-V166 HydrophobicContact CG2-CG2 4.31Å; V70-I169 HydrophobicContact CB-CD1 4.34Å; V70-I169 HydrophobicContact CG2-CD1 3.42Å; V70-I169 VanDerWaalsContact CG2-CD1 3.42Å; V70-I169 HydrophobicContact CG2-CG1 4.48Å
71Q90.5Very high92.8Very high113 Ų11353.1 Ų53.153%0.52828%0.279SS..Hα-helixtrans-61.6-44.3-179.5-69.1179.22.300111.8K67 E68 M69 K73 R74 A75K67-Q71 WeakPolarHBondContact O-CG 3.45Å; K67-Q71 PolarHBondContact O-N 2.8Å; K67-Q71 VanDerWaalsContact O-N 3.08Å; E68-Q71 PolarHBondContact O-N 3.03Å; M69-Q71 VanDerWaalsContact C-N 3.35Å; Q71-K73 PolarHBondContact O-N 2.94Å; Q71-R74 PolarHBondContact O-N 2.89Å; Q71-A75 WeakPolarHBondContact O-CB 3.34Å; Q71-A75 PolarHBondContact O-N 3.34Å
72S93.6Very high92.8Very high15 Ų1549.9 Ų49.911%0.10526%0.26CS..Hα-helixtrans-58.3-45.7175.6-63.90000111.8E43 E68 M69 V70 R74 A75 V76E43-S72 VanDerWaalsContact OE1-C 3.31Å; E43-S72 VanDerWaalsContact OE1-CB 3.3Å; E43-S72 WeakPolarHBondContact OE1-CB 3.33Å; E68-S72 WeakPolarHBondContact O-CB 3.44Å; E68-S72 PolarHBondContact O-N 3.27Å; E68-S72 PolarHBondContact O-OG 3.38Å; M69-S72 PolarHBondContact O-N 3.16Å; V70-S72 PolarHBondContact O-N 2.94Å; S72-R74 PolarHBondContact O-N 3.42Å; S72-A75 WeakPolarHBondContact O-CB 3.5Å; S72-A75 PolarHBondContact O-N 3.14Å; S72-V76 WeakPolarHBondContact O-CG2 3.36Å; S72-V76 PolarHBondContact O-N 2.97Å
73K92.9Very high93.1Very high93 Ų9352.4 Ų52.440%0.40427%0.271SS..Hα-helixtrans-62.8-41.7176.8-74.6-173.9176.2-162.20112.7E43 M69 V70 Q71 V76 S77 I169E43-K73 PolarHBondContact OE1-N 3.06Å; M69-K73 WeakPolarHBondContact O-CG 3.33Å; M69-K73 PolarHBondContact O-N 3.27Å; V70-K73 PolarHBondContact O-N 2.94Å; Q71-K73 PolarHBondContact O-N 2.94Å; K73-V76 PolarHBondContact O-N 3.43Å; K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 2.74Å; K73-I169 HydrophobicContact CD-CD1 4.33Å
74R91.3Very high93.3Very high85 Ų8553.2 Ų53.232%0.32128%0.282SS..Hα-helixtrans-62.5-43.5175.2-71178.7-175.9-158.5-2.2110.9V70 Q71 S72 S77 K78 E159 E165V70-R74 HydrophobicContact CG1-CG 4.38Å; V70-R74 WeakPolarHBondContact O-CG 3.3Å; V70-R74 PolarHBondContact O-N 3.1Å; Q71-R74 PolarHBondContact O-N 2.89Å; S72-R74 PolarHBondContact O-N 3.42Å; R74-S77 WeakPolarHBondContact O-CB 3.43Å; R74-S77 PolarHBondContact O-N 3.47Å; R74-K78 PolarHBondContact O-N 2.97Å; R74-E159 IonicContact NH1-OE2 2.83Å; R74-E159 IonicContact NH2-OE2 2.93Å; R74-E165 IonicContact CZ-OE2 3.06Å; R74-E165 IonicContact NE-OE2 2.73Å; R74-E165 IonicContact NH2-OE2 3.56Å; R74-E165 PolarHBondContact NH2-OE2 3.46Å
75A91.1Very high93.4Very high40 Ų4052 Ų5233%0.33127%0.27SS..Hα-helixtrans-61-46.3175.800000112I39 Q71 S72 S77 K78 L79I39-A75 HydrophobicContact CD1-CB 4.44Å; Q71-A75 WeakPolarHBondContact O-CB 3.34Å; Q71-A75 PolarHBondContact O-N 3.34Å; S72-A75 WeakPolarHBondContact O-CB 3.5Å; S72-A75 PolarHBondContact O-N 3.14Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.02Å; A75-K78 PolarHBondContact O-N 3.33Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 2.87Å
76V95.4Very high93.5Very high13 Ų1350.1 Ų50.18%0.07926%0.26CS..Hα-helixtrans-60.6-42.3175.6170.10000111.5I36 I39 S72 K73 L79 Y80I36-V76 HydrophobicContact CG2-CG1 4.26Å; I39-V76 HydrophobicContact CB-CG2 3.98Å; I39-V76 HydrophobicContact CD1-CG2 4.37Å; I39-V76 HydrophobicContact CG2-CG2 3.57Å; S72-V76 WeakPolarHBondContact O-CG2 3.36Å; S72-V76 PolarHBondContact O-N 2.97Å; K73-V76 PolarHBondContact O-N 3.43Å; V76-L79 PolarHBondContact O-N 3.2Å; V76-Y80 HydrophobicContact CG1-CD2 3.66Å; V76-Y80 HydrophobicContact CG1-CE2 3.41Å; V76-Y80 VanDerWaalsContact CG1-CE2 3.41Å; V76-Y80 VanDerWaalsContact O-CD2 3.25Å; V76-Y80 WeakPolarHBondContact O-CD2 3.43Å; V76-Y80 PolarHBondContact O-N 3.42Å
77S94.3Very high93.7Very high78 Ų7853.7 Ų53.755%0.54528%0.279SS..Hα-helixtrans-60-47175.8-1720000111.9K73 R74 A75 L79 Y80 A81K73-S77 WeakPolarHBondContact O-CB 3.47Å; K73-S77 PolarHBondContact O-N 2.74Å; R74-S77 WeakPolarHBondContact O-CB 3.43Å; R74-S77 PolarHBondContact O-N 3.47Å; A75-S77 VanDerWaalsContact C-N 3.34Å; A75-S77 PolarHBondContact O-N 3.02Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 3.49Å; S77-Y80 PolarHBondContact O-N 3.06Å; S77-A81 PolarHBondContact O-N 3.4Å
78K92.4Very high93.9Very high87 Ų8752.8 Ų52.838%0.37828%0.281SS..Hα-helixtrans-57.5-46.4175.8-169.3-179.8-71.6-174.60110.8R74 A75 Y80 A81 S82 I122 E157R74-K78 PolarHBondContact O-N 2.97Å; A75-K78 PolarHBondContact O-N 3.33Å; K78-Y80 PolarHBondContact O-N 3Å; K78-A81 WeakPolarHBondContact O-CB 3.46Å; K78-A81 PolarHBondContact O-N 2.96Å; K78-S82 PolarHBondContact O-N 3.35Å; K78-S82 PolarHBondContact O-OG 2.94Å; K78-I122 HydrophobicContact CD-CD1 4.44Å; K78-I122 HydrophobicContact CG-CD1 4.26Å; K78-E157 IonicContact NZ-OE1 3.96Å; K78-E157 PolarHBondContact NZ-OE1 3.34Å
79L94.3Very high94.1Very high7 Ų748.5 Ų48.54%0.03726%0.261CS..Hα-helixtrans-62.3-38.9177.1-70.8175.8000113.3I32 Q35 I36 I39 A75 V76 S77 S82 K83 I122I32-L79 HydrophobicContact CG1-CD2 4.24Å; I32-L79 HydrophobicContact CG2-CB 4.12Å; I32-L79 HydrophobicContact CG2-CD2 4.37Å; Q35-L79 HydrophobicContact CB-CD1 4.03Å; I36-L79 HydrophobicContact CD1-CB 4Å; I36-L79 HydrophobicContact CG1-CB 3.74Å; I36-L79 HydrophobicContact CG1-CD1 3.88Å; I36-L79 HydrophobicContact CG1-CG 4.48Å; I39-L79 HydrophobicContact CD1-CD1 3.71Å; A75-L79 WeakPolarHBondContact O-CG 3.38Å; A75-L79 PolarHBondContact O-N 2.87Å; V76-L79 PolarHBondContact O-N 3.2Å; S77-L79 VanDerWaalsContact C-N 3.34Å; S77-L79 PolarHBondContact O-N 3.49Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.94Å; L79-K83 PolarHBondContact O-N 3.25Å; L79-I122 HydrophobicContact CD2-CG2 4.27Å
80Y96.7Very high94.2Very high115 Ų11549.1 Ų49.145%0.45126%0.264SS..Hα-helixtrans-65.8-40.5173.3-82.2-60.4000112.3I36 V76 S77 K78 S82 K83 A84I36-Y80 HydrophobicContact CD1-CD1 3.92Å; I36-Y80 HydrophobicContact CD1-CD2 4.47Å; I36-Y80 HydrophobicContact CD1-CE1 3.85Å; I36-Y80 HydrophobicContact CD1-CE2 4.43Å; I36-Y80 HydrophobicContact CD1-CG 4.22Å; I36-Y80 HydrophobicContact CG2-CE2 4.13Å; V76-Y80 HydrophobicContact CG1-CD2 3.66Å; V76-Y80 HydrophobicContact CG1-CE2 3.41Å; V76-Y80 VanDerWaalsContact CG1-CE2 3.41Å; V76-Y80 VanDerWaalsContact O-CD2 3.25Å; V76-Y80 WeakPolarHBondContact O-CD2 3.43Å; V76-Y80 PolarHBondContact O-N 3.42Å; S77-Y80 PolarHBondContact O-N 3.06Å; K78-Y80 PolarHBondContact O-N 3Å; Y80-S82 VanDerWaalsContact C-N 3.35Å; Y80-K83 WeakPolarHBondContact O-CB 3.41Å; Y80-K83 PolarHBondContact O-N 3.4Å; Y80-K83 VanDerWaalsContact O-N 3.16Å; Y80-A84 PolarHBondContact O-N 3.43Å
81A94.5Very high94.5Very high54 Ų5454.8 Ų54.845%0.44629%0.294SS..Hα-helixtrans-60.6-45.4173.600000110.8S77 K78 K83 A84 Q85S77-A81 PolarHBondContact O-N 3.4Å; K78-A81 WeakPolarHBondContact O-CB 3.46Å; K78-A81 PolarHBondContact O-N 2.96Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 3.42Å; A81-A84 WeakPolarHBondContact O-CB 3.08Å; A81-A84 PolarHBondContact O-N 3.21Å; A81-A84 VanDerWaalsContact O-N 3.07Å; A81-Q85 WeakPolarHBondContact O-CG 3.39Å; A81-Q85 PolarHBondContact O-N 3.22Å
82S93.6Very high94.6Very high6 Ų649.7 Ų49.74%0.04227%0.271CS..Hα-helixtrans-57.9-39.7173.5-45.80000112K78 L79 Y80 A84 Q85 M86 L119 I122K78-S82 PolarHBondContact O-N 3.35Å; K78-S82 PolarHBondContact O-OG 2.94Å; L79-S82 WeakPolarHBondContact O-CB 3.48Å; L79-S82 PolarHBondContact O-N 2.94Å; Y80-S82 VanDerWaalsContact C-N 3.35Å; S82-A84 VanDerWaalsContact C-N 3.34Å; S82-A84 PolarHBondContact O-N 2.95Å; S82-Q85 PolarHBondContact O-N 2.99Å; S82-M86 PolarHBondContact O-N 3.17Å; S82-L119 WeakPolarHBondContact O-CD2 3.5Å; S82-I122 WeakPolarHBondContact OG-CD1 3.42Å; S82-I122 VanDerWaalsContact OG-CG1 3.27Å; S82-I122 WeakPolarHBondContact OG-CG1 3.45Å
83K95.9Very high94.7Very high52 Ų5249 Ų4923%0.22627%0.266CS..Hα-helixtrans-62.6-40175.2-169.4178.1-178.3175.40112.7M29 I32 D33 L79 Y80 A81 Q85 M86 N87M29-K83 HydrophobicContact CE-CG 3.97Å; I32-K83 HydrophobicContact CG2-CB 4.45Å; D33-K83 WeakPolarHBondContact OD1-CE 3.28Å; D33-K83 IonicContact OD1-NZ 3.18Å; D33-K83 PolarHBondContact OD1-NZ 2.9Å; D33-K83 IonicContact OD2-NZ 2.67Å; D33-K83 PolarHBondContact OD2-NZ 3.18Å; L79-K83 PolarHBondContact O-N 3.25Å; Y80-K83 WeakPolarHBondContact O-CB 3.41Å; Y80-K83 PolarHBondContact O-N 3.4Å; Y80-K83 VanDerWaalsContact O-N 3.16Å; A81-K83 VanDerWaalsContact C-N 3.27Å; A81-K83 PolarHBondContact O-N 3.42Å; K83-Q85 VanDerWaalsContact C-N 3.35Å; K83-M86 HydrophobicContact CB-CE 4.24Å; K83-M86 HydrophobicContact CG-CE 4.44Å; K83-M86 PolarHBondContact O-N 3.39Å; K83-N87 PolarHBondContact O-N 3.28Å; K83-N87 PolarHBondContact O-ND2 2.9Å
84A96.1Very high94.8Very high58 Ų5851.6 Ų51.648%0.47928%0.277SS..Hα-helixtrans-62.9-42.2173.900000111.6Y80 A81 S82 N87 S88Y80-A84 PolarHBondContact O-N 3.43Å; A81-A84 WeakPolarHBondContact O-CB 3.08Å; A81-A84 PolarHBondContact O-N 3.21Å; A81-A84 VanDerWaalsContact O-N 3.07Å; S82-A84 VanDerWaalsContact C-N 3.34Å; S82-A84 PolarHBondContact O-N 2.95Å; A84-N87 WeakPolarHBondContact O-CB 3.41Å; A84-N87 PolarHBondContact O-N 3.46Å; A84-S88 PolarHBondContact O-N 3.07Å
85Q93.8Very high94.9Very high74 Ų7451.9 Ų51.935%0.34629%0.285SS..Hα-helixtrans-63-42.5176.3-62-61.3-20.800112A81 S82 K83 N87 S88 V89 A115 S118 L119A81-Q85 WeakPolarHBondContact O-CG 3.39Å; A81-Q85 PolarHBondContact O-N 3.22Å; S82-Q85 PolarHBondContact O-N 2.99Å; K83-Q85 VanDerWaalsContact C-N 3.35Å; Q85-N87 VanDerWaalsContact C-N 3.32Å; Q85-N87 PolarHBondContact O-N 2.94Å; Q85-S88 VanDerWaalsContact O-CB 3.31Å; Q85-S88 WeakPolarHBondContact O-CB 3.31Å; Q85-S88 PolarHBondContact O-N 3.01Å; Q85-S88 VanDerWaalsContact O-N 3.16Å; Q85-V89 WeakPolarHBondContact O-CG2 3.47Å; Q85-V89 PolarHBondContact O-N 3.16Å; Q85-A115 HydrophobicContact CB-CB 4.36Å; Q85-S118 WeakPolarHBondContact CG-OG 3.36Å; Q85-L119 HydrophobicContact CB-CD1 4.31Å; Q85-L119 HydrophobicContact CB-CD2 3.94Å; Q85-L119 HydrophobicContact CB-CG 4.04Å
86M96Very high95Very high0 Ų050.1 Ų50.10%027%0.27CS..Hα-helixtrans-61.3-39173.7-74.1-175.2-69.400112.7I25 E28 M29 I32 S82 K83 S88 V89 L90 L119 I125 M129I25-M86 HydrophobicContact CG2-CB 3.83Å; I25-M86 HydrophobicContact CG2-CG 4.08Å; I25-M86 HydrophobicContact CG2-SD 4.41Å; E28-M86 HydrophobicContact CB-SD 4.23Å; M29-M86 HydrophobicContact CB-CE 4.18Å; M29-M86 HydrophobicContact CB-SD 4.37Å; M29-M86 HydrophobicContact CG-CB 3.87Å; M29-M86 HydrophobicContact CG-CE 3.6Å; M29-M86 HydrophobicContact CG-CG 4.36Å; M29-M86 HydrophobicContact CG-SD 3.57Å; M29-M86 VanDerWaalsContact CG-SD 3.57Å; M29-M86 HydrophobicContact SD-CB 4.36Å; I32-M86 HydrophobicContact CB-CE 4.28Å; I32-M86 HydrophobicContact CD1-CE 3.21Å; I32-M86 HydrophobicContact CD1-SD 4.08Å; I32-M86 HydrophobicContact CG1-CE 4.22Å; S82-M86 PolarHBondContact O-N 3.17Å; K83-M86 HydrophobicContact CB-CE 4.24Å; K83-M86 HydrophobicContact CG-CE 4.44Å; K83-M86 PolarHBondContact O-N 3.39Å; M86-S88 VanDerWaalsContact C-N 3.34Å; M86-V89 PolarHBondContact O-N 3.31Å; M86-L90 WeakPolarHBondContact O-CG 3.38Å; M86-L90 PolarHBondContact O-N 3.16Å; M86-L119 HydrophobicContact CG-CD1 3.77Å; M86-L119 HydrophobicContact CG-CD2 3.66Å; M86-L119 HydrophobicContact CG-CG 4.38Å; M86-I125 HydrophobicContact SD-CD1 4.19Å; M86-M129 HydrophobicContact CG-CE 4.06Å; M86-M129 HydrophobicContact SD-CE 3.78Å
87N96.9Very high95Very high76 Ų7651 Ų5141%0.40627%0.274SS..Hα-helixtrans-64.1-39.6174.4-79.5-41.8000112.1M29 K83 A84 Q85 L90 L91M29-N87 WeakPolarHBondContact CE-OD1 3.26Å; K83-N87 PolarHBondContact O-N 3.28Å; K83-N87 PolarHBondContact O-ND2 2.9Å; A84-N87 WeakPolarHBondContact O-CB 3.41Å; A84-N87 PolarHBondContact O-N 3.46Å; Q85-N87 VanDerWaalsContact C-N 3.32Å; Q85-N87 PolarHBondContact O-N 2.94Å; N87-L90 PolarHBondContact O-N 2.96Å; N87-L91 PolarHBondContact O-N 2.97Å
88S95.4Very high95Very high44 Ų4449.9 Ų49.931%0.30827%0.266SS..Hα-helixtrans-58-48.6173.2-176.10000111.2A84 Q85 M86 L90 L91 S92A84-S88 PolarHBondContact O-N 3.07Å; Q85-S88 VanDerWaalsContact O-CB 3.31Å; Q85-S88 WeakPolarHBondContact O-CB 3.31Å; Q85-S88 PolarHBondContact O-N 3.01Å; Q85-S88 VanDerWaalsContact O-N 3.16Å; M86-S88 VanDerWaalsContact C-N 3.34Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.17Å; S88-L91 PolarHBondContact O-N 3.09Å; S88-S92 PolarHBondContact O-N 3Å
89V95.4Very high95Very high0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-59.8-44.2176.1-178.80000111.2I25 Q85 M86 L91 S92 M93 V112 A115 L119 M136I25-V89 HydrophobicContact CD1-CB 4.17Å; I25-V89 HydrophobicContact CD1-CG1 3.42Å; I25-V89 VanDerWaalsContact CD1-CG1 3.42Å; Q85-V89 WeakPolarHBondContact O-CG2 3.47Å; Q85-V89 PolarHBondContact O-N 3.16Å; M86-V89 PolarHBondContact O-N 3.31Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 2.59Å; V89-S92 PolarHBondContact O-N 2.96Å; V89-M93 HydrophobicContact CG1-CE 4.19Å; V89-M93 HydrophobicContact CG1-CG 4.33Å; V89-M93 WeakPolarHBondContact O-CG 3.36Å; V89-M93 PolarHBondContact O-N 3.19Å; V89-V112 HydrophobicContact CG1-CG1 4.2Å; V89-A115 HydrophobicContact CG2-CB 3.54Å; V89-L119 HydrophobicContact CG2-CD1 4.2Å; V89-M136 HydrophobicContact CG1-CE 4.26Å
90L96.9Very high94.9Very high21 Ų2147.7 Ų47.711%0.1126%0.259CS..Hα-helixtrans-61.1-38.8177-76.4172.9000113.1I25 R26 M29 M86 N87 S88 M93 K94I25-L90 HydrophobicContact CB-CD2 4.14Å; I25-L90 HydrophobicContact CB-CG 4.41Å; I25-L90 HydrophobicContact CG2-CD1 4.13Å; I25-L90 HydrophobicContact CG2-CD2 4.1Å; I25-L90 HydrophobicContact CG2-CG 3.82Å; R26-L90 HydrophobicContact CG-CD1 3.91Å; R26-L90 HydrophobicContact CG-CD2 4.2Å; M29-L90 HydrophobicContact SD-CD1 3.48Å; M29-L90 WeakPolarHBondContact SD-CD1 3.36Å; M86-L90 WeakPolarHBondContact O-CG 3.38Å; M86-L90 PolarHBondContact O-N 3.16Å; N87-L90 PolarHBondContact O-N 2.96Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.17Å; L90-M93 PolarHBondContact O-N 2.99Å; L90-K94 PolarHBondContact O-N 3.49Å
91L96.6Very high94.7Very high119 Ų11950.9 Ų50.962%0.62327%0.27SS*.Hα-helixtrans-66-42.9175.9-177.860000110.8N87 S88 V89 K94 N95N87-L91 PolarHBondContact O-N 2.97Å; S88-L91 PolarHBondContact O-N 3.09Å; V89-L91 VanDerWaalsContact C-N 3.32Å; V89-L91 PolarHBondContact O-N 2.59Å; L91-K94 WeakPolarHBondContact O-CB 3.41Å; L91-K94 PolarHBondContact O-N 3.34Å; L91-N95 PolarHBondContact O-N 3.42Å
92S93.8Very high94.6Very high7 Ų754.8 Ų54.85%0.04929%0.288CS..Hα-helixtrans-65-38.9175-173.40000112S88 V89 K94 N95 Q96 S109 V112S88-S92 PolarHBondContact O-N 3Å; V89-S92 PolarHBondContact O-N 2.96Å; S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.09Å; S92-N95 CarbonylContact O-C 3.53Å; S92-N95 WeakPolarHBondContact O-CA 3.49Å; S92-N95 VanDerWaalsContact O-CB 3.3Å; S92-N95 WeakPolarHBondContact O-CB 3.41Å; S92-N95 PolarHBondContact O-N 2.91Å; S92-Q96 WeakPolarHBondContact O-CG 3.44Å; S92-Q96 PolarHBondContact O-N 3.14Å; S92-S109 PolarHBondContact OG-OG 2.88Å; S92-V112 WeakPolarHBondContact OG-CG2 3.41Å
93M94.6Very high94.5Very high0 Ų057.6 Ų57.60%031%0.312CS..Hα-helixtrans-58.8-41.6171.9-70.8-50.7104.100112V18 W21 V89 L90 N95 Q96 L97 V112 M136 I141V18-M93 HydrophobicContact CG1-CB 3.88Å; V18-M93 HydrophobicContact CG1-CG 4.46Å; V18-M93 WeakPolarHBondContact CG1-O 3.27Å; V18-M93 HydrophobicContact CG1-SD 4.24Å; W21-M93 HydrophobicContact CE3-SD 3.96Å; V89-M93 HydrophobicContact CG1-CE 4.19Å; V89-M93 HydrophobicContact CG1-CG 4.33Å; V89-M93 WeakPolarHBondContact O-CG 3.36Å; V89-M93 PolarHBondContact O-N 3.19Å; L90-M93 PolarHBondContact O-N 2.99Å; M93-N95 VanDerWaalsContact C-N 3.31Å; M93-N95 PolarHBondContact O-N 3.37Å; M93-Q96 WeakPolarHBondContact O-CB 3.34Å; M93-Q96 PolarHBondContact O-N 3.1Å; M93-L97 PolarHBondContact O-N 2.86Å; M93-L97 VanDerWaalsContact O-N 3.16Å; M93-V112 HydrophobicContact CE-CG1 3.99Å; M93-V112 HydrophobicContact CE-CG2 3.76Å; M93-M136 HydrophobicContact CE-CE 4Å; M93-M136 HydrophobicContact CE-SD 4.12Å; M93-M136 HydrophobicContact SD-CE 3.81Å; M93-I141 HydrophobicContact CE-CD1 4.18Å; M93-I141 HydrophobicContact CE-CG2 4.17Å; M93-I141 HydrophobicContact SD-CD1 4.27Å
94K94.9Very high94.2Very high148 Ų14858 Ų5864%0.64333%0.331SS*.Hα-helixtrans-62.3-39.8173.5-175.1-178.3178.1-176.20111.5L90 L91 S92 L97 S98L90-K94 PolarHBondContact O-N 3.49Å; L91-K94 WeakPolarHBondContact O-CB 3.41Å; L91-K94 PolarHBondContact O-N 3.34Å; S92-K94 VanDerWaalsContact C-N 3.3Å; S92-K94 PolarHBondContact O-N 3.09Å; K94-L97 PolarHBondContact O-N 2.94Å; K94-S98 PolarHBondContact O-N 2.89Å
95N94.8Very high93.9Very high90 Ų9057.8 Ų57.848%0.48133%0.329SS..Hα-helixtrans-62.7-43.4173.7-174.646.6000111.7L91 S92 M93 L97 S98 V99L91-N95 PolarHBondContact O-N 3.42Å; S92-N95 CarbonylContact O-C 3.53Å; S92-N95 WeakPolarHBondContact O-CA 3.49Å; S92-N95 VanDerWaalsContact O-CB 3.3Å; S92-N95 WeakPolarHBondContact O-CB 3.41Å; S92-N95 PolarHBondContact O-N 2.91Å; M93-N95 VanDerWaalsContact C-N 3.31Å; M93-N95 PolarHBondContact O-N 3.37Å; N95-L97 VanDerWaalsContact C-N 3.26Å; N95-L97 PolarHBondContact O-N 3.24Å; N95-S98 WeakPolarHBondContact O-CA 3.47Å; N95-S98 WeakPolarHBondContact O-CB 3.49Å; N95-S98 PolarHBondContact O-N 3.46Å; N95-V99 WeakPolarHBondContact O-CG2 3.45Å; N95-V99 PolarHBondContact O-N 2.92Å
96Q93.4Very high93.8Very high4 Ų455.7 Ų55.72%0.01932%0.32CS..Hα-helixtrans-58-36176.9-69.3-62.5-27.500112.6V18 S92 M93 S98 V99 L100 L106 Q107 I141V18-Q96 HydrophobicContact CG2-CB 4.42Å; S92-Q96 WeakPolarHBondContact O-CG 3.44Å; S92-Q96 PolarHBondContact O-N 3.14Å; M93-Q96 WeakPolarHBondContact O-CB 3.34Å; M93-Q96 PolarHBondContact O-N 3.1Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.3Å; Q96-V99 PolarHBondContact O-N 3.02Å; Q96-L100 VanDerWaalsContact O-CB 3.25Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 2.65Å; Q96-L106 HydrophobicContact CB-CD2 4.01Å; Q96-Q107 PolarHBondContact NE2-O 2.99Å; Q96-Q107 PolarHBondContact OE1-O 3.39Å; Q96-I141 HydrophobicContact CG-CD1 4.22Å
97L93.9Very high93.6Very high31 Ų3160.7 Ų60.716%0.16234%0.343CS..Hα-helixtrans-64.6-35.7173.2-67.2-179.5000112.8K15 V18 M93 K94 N95 R101K15-L97 HydrophobicContact CB-CD2 4.49Å; K15-L97 HydrophobicContact CG-CD2 4.04Å; V18-L97 HydrophobicContact CB-CD2 3.79Å; V18-L97 HydrophobicContact CB-CG 4.39Å; V18-L97 HydrophobicContact CG1-CD1 4.32Å; V18-L97 HydrophobicContact CG1-CD2 3.67Å; V18-L97 HydrophobicContact CG1-CG 3.7Å; V18-L97 HydrophobicContact CG2-CD2 4.43Å; M93-L97 PolarHBondContact O-N 2.86Å; M93-L97 VanDerWaalsContact O-N 3.16Å; K94-L97 PolarHBondContact O-N 2.94Å; N95-L97 VanDerWaalsContact C-N 3.26Å; N95-L97 PolarHBondContact O-N 3.24Å; L97-R101 WeakPolarHBondContact O-CG 3.47Å; L97-R101 PolarHBondContact O-N 2.91Å
98S94.7Very high93.4Very high54 Ų5463.5 Ų63.538%0.37835%0.352SS..Hα-helixtrans-70.8-45.1175.4-610000111K94 N95 Q96 L100 R101 V102K94-S98 PolarHBondContact O-N 2.89Å; N95-S98 WeakPolarHBondContact O-CA 3.47Å; N95-S98 WeakPolarHBondContact O-CB 3.49Å; N95-S98 PolarHBondContact O-N 3.46Å; Q96-S98 VanDerWaalsContact C-N 3.32Å; Q96-S98 PolarHBondContact O-N 3.3Å; S98-L100 VanDerWaalsContact C-N 3.31Å; S98-L100 PolarHBondContact O-N 3.47Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 3.24Å; S98-R101 VanDerWaalsContact O-N 3.14Å; S98-V102 PolarHBondContact O-N 3.27Å
99V92.8Very high93.2Very high18 Ų1862.3 Ų62.311%0.10934%0.343CS..Hα-helixtrans-57.8-45.2174.2172.10000110.6N95 Q96 R101 V102 A103 Q107N95-V99 WeakPolarHBondContact O-CG2 3.45Å; N95-V99 PolarHBondContact O-N 2.92Å; Q96-V99 PolarHBondContact O-N 3.02Å; V99-R101 VanDerWaalsContact C-N 3.26Å; V99-R101 PolarHBondContact O-N 3.44Å; V99-V102 PolarHBondContact O-N 2.94Å; V99-V102 VanDerWaalsContact O-N 3.09Å; V99-A103 HydrophobicContact CG1-CB 4.19Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 3.43Å; V99-Q107 HydrophobicContact CG1-CB 4.06Å; V99-Q107 VanDerWaalsContact CG1-CD 3.48Å; V99-Q107 HydrophobicContact CG1-CG 3.54Å
100L92.5Very high92.9Very high30 Ų3066.5 Ų66.516%0.15737%0.369CS..Hα-helixtrans-59.3-35.2177.8-17367.3000112.6P14 K15 Q96 S98 G104P14-L100 HydrophobicContact CB-CD1 3.91Å; P14-L100 HydrophobicContact CB-CD2 3.95Å; P14-L100 HydrophobicContact CG-CD1 4.33Å; K15-L100 HydrophobicContact CB-CD2 3.83Å; Q96-L100 VanDerWaalsContact O-CB 3.25Å; Q96-L100 WeakPolarHBondContact O-CB 3.46Å; Q96-L100 PolarHBondContact O-N 2.65Å; S98-L100 VanDerWaalsContact C-N 3.31Å; S98-L100 PolarHBondContact O-N 3.47Å; L100-G104 WeakPolarHBondContact O-CA 3.31Å; L100-G104 PolarHBondContact O-N 3.47Å
101R91.5Very high92.6Very high183 Ų18371.4 Ų71.469%0.69139%0.392SS*.Hα-helixtrans-70.9-34176.8-71.4179.1-168.4120.9-2.1113L97 S98 V99L97-R101 WeakPolarHBondContact O-CG 3.47Å; L97-R101 PolarHBondContact O-N 2.91Å; S98-R101 WeakPolarHBondContact O-CB 3.46Å; S98-R101 PolarHBondContact O-N 3.24Å; S98-R101 VanDerWaalsContact O-N 3.14Å; V99-R101 VanDerWaalsContact C-N 3.26Å; V99-R101 PolarHBondContact O-N 3.44Å
102V94.2Very high92.3Very high136 Ų13665.8 Ų65.882%0.82436%0.362SS*.Hα-helixtrans-92-49.1-174.3177.90000111.2S98 V99S98-V102 PolarHBondContact O-N 3.27Å; V99-V102 PolarHBondContact O-N 2.94Å; V99-V102 VanDerWaalsContact O-N 3.09Å
103A91.3Very high92.2Very high65 Ų6567.2 Ų67.254%0.53737%0.368SS..Hα-helixtrans-94.6-13.2-175.400000113.6V99 A105V99-A103 HydrophobicContact CG1-CB 4.19Å; V99-A103 WeakPolarHBondContact O-CB 3.4Å; V99-A103 PolarHBondContact O-N 3.43Å; A103-A105 PolarHBondContact O-N 3.28Å
104G89.8Confident92.1Very high60 Ų6074.7 Ų74.762%0.61940%0.401SS*.SBendtrans75.9-3.1179.500000115.3L100L100-G104 WeakPolarHBondContact O-CA 3.31Å; L100-G104 PolarHBondContact O-N 3.47Å
105A88.8Confident91.9Very high54 Ų5467.7 Ų67.745%0.44637%0.371SS..SBendtrans-138160.6-179.300000111.6A103A103-A105 PolarHBondContact O-N 3.28Å
106L90.9Very high91.8Very high29 Ų2963.5 Ų63.515%0.15235%0.348CS..  trans-73.8147.6168-64.3172.5000109.7P14 V18 W21 Q96 A139 I141P14-L106 HydrophobicContact CB-CD1 3.91Å; P14-L106 HydrophobicContact CB-CD2 4.35Å; P14-L106 HydrophobicContact CB-CG 3.93Å; V18-L106 HydrophobicContact CG2-CD2 3.77Å; W21-L106 HydrophobicContact CH2-CD1 4.47Å; W21-L106 HydrophobicContact CZ3-CD1 4.43Å; Q96-L106 HydrophobicContact CB-CD2 4.01Å; L106-A139 HydrophobicContact CD1-CB 4.05Å; L106-I141 HydrophobicContact CB-CG1 4.08Å; L106-I141 HydrophobicContact CD1-CD1 4.01Å; L106-I141 HydrophobicContact CD1-CG1 4.06Å; L106-I141 HydrophobicContact CD2-CD1 4.3Å; L106-I141 HydrophobicContact CG-CG1 4.47Å
107Q91.8Very high91.6Very high105 Ų10567.3 Ų67.349%0.49137%0.366SS..  trans-113.6149.7177.2-77.3-176.6-43.100111.3Q96 V99Q96-Q107 PolarHBondContact NE2-O 2.99Å; Q96-Q107 PolarHBondContact OE1-O 3.39Å; V99-Q107 HydrophobicContact CG1-CB 4.06Å; V99-Q107 VanDerWaalsContact CG1-CD 3.48Å; V99-Q107 HydrophobicContact CG1-CG 3.54Å
108K93Very high91.4Very high136 Ų13667.9 Ų67.959%0.59137%0.372SS*.  trans-61.5140172.5-67170.5163.2-164.10110.8G140 I141 E143K108-G140 WeakPolarHBondContact CG-O 3.44Å; K108-G140 PolarHBondContact N-O 3Å; K108-I141 CarbonylContact C-O 3.49Å; K108-I141 VanDerWaalsContact CA-O 3.3Å; K108-I141 WeakPolarHBondContact CA-O 3.46Å; K108-E143 HydrophobicContact CD-CG 3.8Å; K108-E143 VanDerWaalsContact CD-OE1 3.27Å; K108-E143 WeakPolarHBondContact CD-OE1 3.39Å; K108-E143 WeakPolarHBondContact CE-OE1 3.25Å; K108-E143 HydrophobicContact CG-CG 4.23Å; K108-E143 IonicContact NZ-OE1 3.83Å; K108-E143 PolarHBondContact NZ-OE1 3.37Å
109S91.4Very high91.2Very high18 Ų1865.3 Ų65.313%0.12636%0.355CS..  trans-136.1108.1179-177.90000110.4S92 E111 V112 M113 I141S92-S109 PolarHBondContact OG-OG 2.88Å; S109-E111 PolarHBondContact O-N 2.94Å; S109-V112 PolarHBondContact O-N 3.42Å; S109-V112 WeakPolarHBondContact OG-CG2 3.48Å; S109-V112 PolarHBondContact OG-N 2.97Å; S109-M113 PolarHBondContact O-N 3.2Å; S109-M113 VanDerWaalsContact O-N 3.11Å; S109-I141 PolarHBondContact N-O 3.12Å
110T89.1Confident91.1Very high88 Ų8865.6 Ų65.654%0.5436%0.356SS..Hα-helixtrans-65.5-28.517556.40000112K114T110-K114 WeakPolarHBondContact O-CB 3.46Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 3.42Å
111E90.2Very high90.9Very high125 Ų12569.1 Ų69.158%0.58437%0.37SS*.Hα-helixtrans-65.5-46.1174-65.1-177.2167.900111.8S109 M113 K114 A115S109-E111 PolarHBondContact O-N 2.94Å; E111-M113 VanDerWaalsContact C-N 3.32Å; E111-M113 PolarHBondContact O-N 2.97Å; E111-K114 PolarHBondContact O-N 3.32Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 2.99Å
112V91.9Very high90.8Very high1 Ų160.9 Ų60.91%0.00634%0.34CS..Hα-helixtrans-63.3-43176.7173.20000110.6V89 S92 M93 S109 A115 M116 M136 I141 I142V89-V112 HydrophobicContact CG1-CG1 4.2Å; S92-V112 WeakPolarHBondContact OG-CG2 3.41Å; M93-V112 HydrophobicContact CE-CG1 3.99Å; M93-V112 HydrophobicContact CE-CG2 3.76Å; S109-V112 PolarHBondContact O-N 3.42Å; S109-V112 WeakPolarHBondContact OG-CG2 3.48Å; S109-V112 PolarHBondContact OG-N 2.97Å; V112-A115 PolarHBondContact O-N 2.96Å; V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 PolarHBondContact O-N 2.93Å; V112-M136 HydrophobicContact CG1-SD 3.79Å; V112-I141 HydrophobicContact CB-CG2 4.3Å; V112-I141 HydrophobicContact CG1-CG2 4.08Å; V112-I141 HydrophobicContact CG2-CG2 4.45Å; V112-I142 HydrophobicContact CG1-CD1 4Å; V112-I142 HydrophobicContact CG1-CG1 3.98Å
113M91.4Very high90.6Very high36 Ų3659.1 Ų59.118%0.17733%0.331CS..Hα-helixtrans-57.1-52.1176.5174.1-168.2179.100111.6S109 E111 M116 Q117 I142 M145S109-M113 PolarHBondContact O-N 3.2Å; S109-M113 VanDerWaalsContact O-N 3.11Å; E111-M113 VanDerWaalsContact C-N 3.32Å; E111-M113 PolarHBondContact O-N 2.97Å; M113-M116 PolarHBondContact O-N 2.95Å; M113-Q117 WeakPolarHBondContact O-CB 3.49Å; M113-Q117 PolarHBondContact O-N 2.95Å; M113-I142 HydrophobicContact CB-CG2 4.07Å; M113-I142 HydrophobicContact CG-CG2 4.06Å; M113-M145 HydrophobicContact CE-CB 4.49Å; M113-M145 HydrophobicContact CE-CE 4.08Å; M113-M145 HydrophobicContact CE-CG 3.09Å; M113-M145 HydrophobicContact CE-SD 3.46Å; M113-M145 WeakPolarHBondContact CE-SD 3.41Å; M113-M145 HydrophobicContact CG-CG 4.22Å; M113-M145 HydrophobicContact CG-SD 3.64Å; M113-M145 HydrophobicContact SD-CG 4.38Å; M113-M145 HydrophobicContact SD-SD 4.38Å
114K91.3Very high90.5Very high158 Ų15859.8 Ų59.869%0.68732%0.323SS*.Hα-helixtrans-62.4-46.5178.1-73.3179.7-178.9-174.10112.4T110 E111 M116 Q117 S118T110-K114 WeakPolarHBondContact O-CB 3.46Å; T110-K114 WeakPolarHBondContact O-CG 3.46Å; T110-K114 PolarHBondContact O-N 3.42Å; E111-K114 PolarHBondContact O-N 3.32Å; K114-M116 PolarHBondContact O-N 3.25Å; K114-Q117 PolarHBondContact O-N 3.26Å; K114-S118 PolarHBondContact O-N 3.07Å; K114-S118 VanDerWaalsContact O-N 3.16Å
115A91.6Very high90.6Very high1 Ų157 Ų571%0.00829%0.294CS..Hα-helixtrans-62.1-44.9178.900000110.9Q85 V89 E111 V112 Q117 S118 L119Q85-A115 HydrophobicContact CB-CB 4.36Å; V89-A115 HydrophobicContact CG2-CB 3.54Å; E111-A115 WeakPolarHBondContact O-CB 3.45Å; E111-A115 PolarHBondContact O-N 2.99Å; V112-A115 PolarHBondContact O-N 2.96Å; A115-Q117 VanDerWaalsContact C-N 3.33Å; A115-Q117 PolarHBondContact O-N 2.97Å; A115-S118 PolarHBondContact O-N 2.92Å; A115-S118 PolarHBondContact O-OG 2.71Å; A115-L119 VanDerWaalsContact O-CG 3.23Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.1Å
116M91.6Very high90.7Very high1 Ų157.9 Ų57.91%0.00529%0.289CS..Hα-helixtrans-63.5-38.2178.1-165.364.785.100112.1V112 M113 K114 S118 L119 V120 M129 L132 M136 I142V112-M116 WeakPolarHBondContact O-CB 3.49Å; V112-M116 PolarHBondContact O-N 2.93Å; M113-M116 PolarHBondContact O-N 2.95Å; K114-M116 PolarHBondContact O-N 3.25Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 3.42Å; M116-L119 PolarHBondContact O-N 2.85Å; M116-L119 VanDerWaalsContact O-N 3.1Å; M116-V120 WeakPolarHBondContact O-CG1 3.47Å; M116-V120 PolarHBondContact O-N 2.96Å; M116-M129 HydrophobicContact CE-SD 4.5Å; M116-M129 HydrophobicContact SD-CB 3.93Å; M116-M129 HydrophobicContact SD-CG 4.41Å; M116-M129 HydrophobicContact SD-SD 3.78Å; M116-L132 HydrophobicContact CE-CB 3.71Å; M116-L132 HydrophobicContact SD-CB 4.46Å; M116-M136 HydrophobicContact CE-CE 3.91Å; M116-M136 HydrophobicContact CE-SD 3.63Å; M116-I142 HydrophobicContact CB-CD1 4.23Å; M116-I142 HydrophobicContact CG-CD1 4.33Å
117Q90.4Very high90.7Very high85 Ų8558.7 Ų58.740%0.39730%0.304SS..Hα-helixtrans-62.1-35.1175.3-17757.171.700112.9M113 K114 A115 V120M113-Q117 WeakPolarHBondContact O-CB 3.49Å; M113-Q117 PolarHBondContact O-N 2.95Å; K114-Q117 PolarHBondContact O-N 3.26Å; A115-Q117 VanDerWaalsContact C-N 3.33Å; A115-Q117 PolarHBondContact O-N 2.97Å; Q117-V120 WeakPolarHBondContact O-CG2 3.3Å
118S89.9Confident90.8Very high42 Ų4255.7 Ų55.729%0.29429%0.293SS..Hα-helixtrans-71-37.5172.774.80000111.9Q85 K114 A115 M116 K121Q85-S118 WeakPolarHBondContact CG-OG 3.36Å; K114-S118 PolarHBondContact O-N 3.07Å; K114-S118 VanDerWaalsContact O-N 3.16Å; A115-S118 PolarHBondContact O-N 2.92Å; A115-S118 PolarHBondContact O-OG 2.71Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 3.42Å; S118-K121 WeakPolarHBondContact O-CB 3.21Å; S118-K121 PolarHBondContact O-N 3.34Å
119L90.2Very high90.8Very high1 Ų149.2 Ų49.21%0.00527%0.265CS..Hα-helixtrans-73.2-29.6-174.9-70171000113.4S82 Q85 M86 V89 A115 M116 K121 I122 I125 M129S82-L119 WeakPolarHBondContact O-CD2 3.5Å; Q85-L119 HydrophobicContact CB-CD1 4.31Å; Q85-L119 HydrophobicContact CB-CD2 3.94Å; Q85-L119 HydrophobicContact CB-CG 4.04Å; M86-L119 HydrophobicContact CG-CD1 3.77Å; M86-L119 HydrophobicContact CG-CD2 3.66Å; M86-L119 HydrophobicContact CG-CG 4.38Å; V89-L119 HydrophobicContact CG2-CD1 4.2Å; A115-L119 VanDerWaalsContact O-CG 3.23Å; A115-L119 WeakPolarHBondContact O-CG 3.31Å; A115-L119 PolarHBondContact O-N 3.1Å; M116-L119 PolarHBondContact O-N 2.85Å; M116-L119 VanDerWaalsContact O-N 3.1Å; L119-K121 PolarHBondContact O-N 3.12Å; L119-I122 PolarHBondContact O-N 3.44Å; L119-I125 HydrophobicContact CB-CD1 4.38Å; L119-I125 HydrophobicContact CD2-CD1 3.9Å; L119-M129 HydrophobicContact CB-CB 4.27Å; L119-M129 HydrophobicContact CB-CG 3.92Å; L119-M129 HydrophobicContact CB-SD 4.19Å; L119-M129 HydrophobicContact CD1-SD 4.12Å
120V90.9Very high90.9Very high23 Ų2354.9 Ų54.914%0.13928%0.283CS..THydrogen-bonded Turntrans-68.1-12.9175-65.40000113.5M116 Q117 Q126 M129 R130M116-V120 WeakPolarHBondContact O-CG1 3.47Å; M116-V120 PolarHBondContact O-N 2.96Å; Q117-V120 WeakPolarHBondContact O-CG2 3.3Å; V120-Q126 WeakPolarHBondContact O-CG 3.37Å; V120-Q126 PolarHBondContact O-NE2 3.37Å; V120-M129 HydrophobicContact CG1-CB 3.92Å; V120-R130 HydrophobicContact CG1-CB 4.34Å
121K87.6Confident91.1Very high104 Ų10455.8 Ų55.845%0.45228%0.282SS..THydrogen-bonded Turntrans-84.7-10.7175.5-58.3-176.8-179.2-175.20112.9S118 L119 P123S118-K121 WeakPolarHBondContact O-CB 3.21Å; S118-K121 PolarHBondContact O-N 3.34Å; L119-K121 PolarHBondContact O-N 3.12Å; K121-P123 WeakPolarHBondContact O-CD 3.25Å
122I89.8Confident91.3Very high11 Ų1149.9 Ų49.96%0.05625%0.254CS..SBendtrans-86.8109.9-176.7-52.7-57.2000108.9K78 L79 S82 L119 E124 I125 Q126K78-I122 HydrophobicContact CD-CD1 4.44Å; K78-I122 HydrophobicContact CG-CD1 4.26Å; L79-I122 HydrophobicContact CD2-CG2 4.27Å; S82-I122 WeakPolarHBondContact OG-CD1 3.42Å; S82-I122 VanDerWaalsContact OG-CG1 3.27Å; S82-I122 WeakPolarHBondContact OG-CG1 3.45Å; L119-I122 PolarHBondContact O-N 3.44Å; I122-E124 WeakPolarHBondContact CG2-OE2 3.49Å; I122-E124 PolarHBondContact O-N 3.28Å; I122-I125 HydrophobicContact CB-CD1 4.03Å; I122-I125 HydrophobicContact CB-CG1 3.66Å; I122-I125 HydrophobicContact CG1-CD1 4.44Å; I122-I125 HydrophobicContact CG2-CD1 4.21Å; I122-I125 HydrophobicContact CG2-CG1 3.78Å; I122-I125 PolarHBondContact O-N 3.5Å; I122-Q126 WeakPolarHBondContact O-CA 3.36Å; I122-Q126 VanDerWaalsContact O-CB 3.23Å; I122-Q126 WeakPolarHBondContact O-CB 3.49Å; I122-Q126 PolarHBondContact O-N 3.48Å
123P89.1Confident91.3Very high98 Ų9851 Ų5164%0.63626%0.262SS*.THydrogen-bonded Turntrans-52-34.3-167.9-29.436.2000114.2K121K121-P123 WeakPolarHBondContact O-CD 3.25Å
124E89Confident91.3Very high79 Ų7955.7 Ų55.737%0.36928%0.282SS..THydrogen-bonded Turntrans-85.6-17.7-166.3-51.5105.5140.300113Q35 I122Q35-E124 VanDerWaalsContact CD-CG 3.47Å; Q35-E124 PolarHBondContact NE2-OE1 2.87Å; Q35-E124 VanDerWaalsContact OE1-CD 3.25Å; Q35-E124 VanDerWaalsContact OE1-CG 3.26Å; Q35-E124 PolarHBondContact OE1-OE1 2.96Å; I122-E124 WeakPolarHBondContact CG2-OE2 3.49Å; I122-E124 PolarHBondContact O-N 3.28Å
125I92.2Very high91.4Very high1 Ų150.6 Ų50.61%0.00526%0.26CS..THydrogen-bonded Turntrans-119.9-5.3176.561.6165.6000112E28 I32 M86 L119 I122 G127 T128 M129E28-I125 HydrophobicContact CB-CB 4.32Å; E28-I125 HydrophobicContact CB-CG2 3.8Å; E28-I125 HydrophobicContact CG-CG2 4.35Å; E28-I125 WeakPolarHBondContact OE2-CG2 3.32Å; I32-I125 HydrophobicContact CD1-CD1 3.62Å; I32-I125 HydrophobicContact CD1-CG1 4.26Å; I32-I125 HydrophobicContact CD1-CG2 4Å; I32-I125 HydrophobicContact CG1-CG2 4.12Å; M86-I125 HydrophobicContact SD-CD1 4.19Å; L119-I125 HydrophobicContact CB-CD1 4.38Å; L119-I125 HydrophobicContact CD2-CD1 3.9Å; I122-I125 HydrophobicContact CB-CD1 4.03Å; I122-I125 HydrophobicContact CB-CG1 3.66Å; I122-I125 HydrophobicContact CG1-CD1 4.44Å; I122-I125 HydrophobicContact CG2-CD1 4.21Å; I122-I125 HydrophobicContact CG2-CG1 3.78Å; I122-I125 PolarHBondContact O-N 3.5Å; I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 3.25Å; I125-T128 PolarHBondContact O-N 3.37Å; I125-T128 VanDerWaalsContact O-N 3.09Å; I125-T128 PolarHBondContact O-OG1 3.35Å; I125-M129 HydrophobicContact CB-CE 4.37Å; I125-M129 HydrophobicContact CB-CG 4.16Å; I125-M129 HydrophobicContact CD1-CE 3.8Å; I125-M129 HydrophobicContact CD1-CG 3.83Å; I125-M129 HydrophobicContact CG1-CG 4.02Å; I125-M129 WeakPolarHBondContact O-CG 3.5Å; I125-M129 PolarHBondContact O-N 3.08Å
126Q91.1Very high91.4Very high74 Ų7450.6 Ų50.635%0.34626%0.26SS..Hα-helixtrans-48.7-48.6-172.8167.2173.37500113.2V120 I122 T128 M129 R130V120-Q126 WeakPolarHBondContact O-CG 3.37Å; V120-Q126 PolarHBondContact O-NE2 3.37Å; I122-Q126 WeakPolarHBondContact O-CA 3.36Å; I122-Q126 VanDerWaalsContact O-CB 3.23Å; I122-Q126 WeakPolarHBondContact O-CB 3.49Å; I122-Q126 PolarHBondContact O-N 3.48Å; Q126-T128 PolarHBondContact O-N 3.06Å; Q126-M129 PolarHBondContact O-N 3.24Å; Q126-R130 VanDerWaalsContact CG-NH2 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.48Å; Q126-R130 PolarHBondContact O-N 2.92Å
127G91.4Very high91.4Very high46 Ų4653.3 Ų53.347%0.47427%0.274SS..Hα-helixtrans-59.8-47.8-177.900000112.1I125 R130 E131I125-G127 VanDerWaalsContact C-N 3.32Å; I125-G127 PolarHBondContact O-N 3.25Å; G127-R130 PolarHBondContact O-N 2.85Å; G127-E131 PolarHBondContact O-N 3.05Å; G127-E131 VanDerWaalsContact O-N 3.17Å
128T93.6Very high91.4Very high42 Ų4257.3 Ų57.326%0.25829%0.289SS..Hα-helixtrans-68.9-39.3-179.566.60000112.3E28 I125 Q126 R130 E131 L132E28-T128 HydrophobicContact CG-CG2 4.43Å; E28-T128 WeakPolarHBondContact CG-OG1 3.33Å; I125-T128 PolarHBondContact O-N 3.37Å; I125-T128 VanDerWaalsContact O-N 3.09Å; I125-T128 PolarHBondContact O-OG1 3.35Å; Q126-T128 PolarHBondContact O-N 3.06Å; T128-R130 VanDerWaalsContact C-N 3.35Å; T128-E131 PolarHBondContact O-N 3.39Å; T128-L132 WeakPolarHBondContact O-CB 3.39Å; T128-L132 VanDerWaalsContact O-CG 3.32Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.26Å
129M94Very high91.4Very high0 Ų056.7 Ų56.70%029%0.287CS..Hα-helixtrans-69.4-34.4179.2-65.8-62.316600111.7E28 M86 M116 L119 V120 I125 Q126 L132 S133E28-M129 HydrophobicContact CB-CE 3.67Å; E28-M129 HydrophobicContact CG-CE 3.91Å; M86-M129 HydrophobicContact CG-CE 4.06Å; M86-M129 HydrophobicContact SD-CE 3.78Å; M116-M129 HydrophobicContact CE-SD 4.5Å; M116-M129 HydrophobicContact SD-CB 3.93Å; M116-M129 HydrophobicContact SD-CG 4.41Å; M116-M129 HydrophobicContact SD-SD 3.78Å; L119-M129 HydrophobicContact CB-CB 4.27Å; L119-M129 HydrophobicContact CB-CG 3.92Å; L119-M129 HydrophobicContact CB-SD 4.19Å; L119-M129 HydrophobicContact CD1-SD 4.12Å; V120-M129 HydrophobicContact CG1-CB 3.92Å; I125-M129 HydrophobicContact CB-CE 4.37Å; I125-M129 HydrophobicContact CB-CG 4.16Å; I125-M129 HydrophobicContact CD1-CE 3.8Å; I125-M129 HydrophobicContact CD1-CG 3.83Å; I125-M129 HydrophobicContact CG1-CG 4.02Å; I125-M129 WeakPolarHBondContact O-CG 3.5Å; I125-M129 PolarHBondContact O-N 3.08Å; Q126-M129 PolarHBondContact O-N 3.24Å; M129-L132 PolarHBondContact O-N 3.03Å; M129-L132 HydrophobicContact SD-CD1 4.04Å; M129-S133 VanDerWaalsContact O-CB 3.28Å; M129-S133 WeakPolarHBondContact O-CB 3.38Å; M129-S133 PolarHBondContact O-N 3.08Å
130R93.1Very high91.3Very high136 Ų13658 Ų5851%0.51330%0.301SS..Hα-helixtrans-65.6-42.9174-170.4-174-62.6127.3-2.9111.5V120 Q126 G127 T128 S133 K134V120-R130 HydrophobicContact CG1-CB 4.34Å; Q126-R130 VanDerWaalsContact CG-NH2 3.3Å; Q126-R130 WeakPolarHBondContact O-CB 3.48Å; Q126-R130 PolarHBondContact O-N 2.92Å; G127-R130 PolarHBondContact O-N 2.85Å; T128-R130 VanDerWaalsContact C-N 3.35Å; R130-S133 PolarHBondContact O-N 3.18Å; R130-K134 PolarHBondContact O-N 3Å; R130-K134 VanDerWaalsContact O-N 3.11Å
131E93.9Very high91.3Very high107 Ų10757 Ų5750%0.530%0.295SS..Hα-helixtrans-63.7-48.1175.6-174.8179.9-161.500111.4G127 T128 S133 K134 E135G127-E131 PolarHBondContact O-N 3.05Å; G127-E131 VanDerWaalsContact O-N 3.17Å; T128-E131 PolarHBondContact O-N 3.39Å; E131-S133 VanDerWaalsContact C-N 3.32Å; E131-S133 PolarHBondContact O-N 3.18Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 2.96Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E131-E135 PolarHBondContact O-N 2.71Å
132L92.9Very high91.4Very high1 Ų152.3 Ų52.31%0.00528%0.275CS..Hα-helixtrans-58.3-43.1175.5-76.5174.8000112.1W21 K24 I25 M116 T128 M129 K134 E135 M136W21-L132 HydrophobicContact CB-CD2 4.01Å; W21-L132 HydrophobicContact CG-CD2 3.91Å; K24-L132 HydrophobicContact CB-CD1 4.16Å; K24-L132 HydrophobicContact CB-CD2 4.12Å; K24-L132 HydrophobicContact CD-CD2 3.62Å; K24-L132 HydrophobicContact CD-CG 4.38Å; K24-L132 HydrophobicContact CG-CD2 4.5Å; I25-L132 HydrophobicContact CG1-CD1 3.75Å; M116-L132 HydrophobicContact CE-CB 3.71Å; M116-L132 HydrophobicContact SD-CB 4.46Å; T128-L132 WeakPolarHBondContact O-CB 3.39Å; T128-L132 VanDerWaalsContact O-CG 3.32Å; T128-L132 WeakPolarHBondContact O-CG 3.44Å; T128-L132 PolarHBondContact O-N 3.26Å; M129-L132 PolarHBondContact O-N 3.03Å; M129-L132 HydrophobicContact SD-CD1 4.04Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 2.83Å; L132-E135 PolarHBondContact O-N 2.96Å; L132-M136 WeakPolarHBondContact O-CB 3.38Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.37Å; L132-M136 PolarHBondContact O-N 3.35Å
133S91.8Very high91.1Very high26 Ų2655.7 Ų55.718%0.18229%0.29CS..Hα-helixtrans-57-45.6176-170.20000111.2M129 R130 E131 M136 M137M129-S133 VanDerWaalsContact O-CB 3.28Å; M129-S133 WeakPolarHBondContact O-CB 3.38Å; M129-S133 PolarHBondContact O-N 3.08Å; R130-S133 PolarHBondContact O-N 3.18Å; E131-S133 VanDerWaalsContact C-N 3.32Å; E131-S133 PolarHBondContact O-N 3.18Å; S133-M136 PolarHBondContact O-N 3.31Å; S133-M137 VanDerWaalsContact O-CB 3.26Å; S133-M137 WeakPolarHBondContact O-CB 3.31Å; S133-M137 PolarHBondContact O-N 2.93Å
134K92.8Very high90.2Very high134 Ų13459.1 Ų59.158%0.58330%0.298SS*.Hα-helixtrans-65.6-41177.8-166.9174.2-168.2169.50112.7R130 E131 L132 K138R130-K134 PolarHBondContact O-N 3Å; R130-K134 VanDerWaalsContact O-N 3.11Å; E131-K134 WeakPolarHBondContact O-CB 3.42Å; E131-K134 PolarHBondContact O-N 2.96Å; E131-K134 VanDerWaalsContact O-N 3.15Å; L132-K134 VanDerWaalsContact C-N 3.3Å; L132-K134 PolarHBondContact O-N 2.83Å; K134-K138 WeakPolarHBondContact O-CG 3.36Å; K134-K138 PolarHBondContact O-N 3.12Å; K134-K138 VanDerWaalsContact O-N 3.09Å
135E92.4Very high88.8Confident51 Ų5159.1 Ų59.124%0.23830%0.299CS..Hα-helixtrans-64.2-45.2175.3-71.2179.9178.500111.4W21 K24 E131 L132 M137 K138 A139W21-E135 HydrophobicContact CZ2-CB 4.1Å; W21-E135 PolarHBondContact NE1-OE2 3.19Å; K24-E135 IonicContact NZ-OE1 3.59Å; K24-E135 PolarHBondContact NZ-OE1 3.43Å; K24-E135 IonicContact NZ-OE2 3.83Å; K24-E135 PolarHBondContact NZ-OE2 3.25Å; E131-E135 PolarHBondContact O-N 2.71Å; L132-E135 PolarHBondContact O-N 2.96Å; E135-M137 VanDerWaalsContact C-N 3.35Å; E135-M137 PolarHBondContact O-N 2.93Å; E135-K138 PolarHBondContact O-N 2.96Å; E135-A139 WeakPolarHBondContact O-CB 3.35Å; E135-A139 PolarHBondContact O-N 3.09Å
136M91.6Very high86.7Confident0 Ų066.2 Ų66.20%034%0.336CS..Hα-helixtrans-68.1-32.7178.6-71.7-177.5-175.500112.7W21 I25 V89 M93 V112 M116 L132 S133 A139 G140 I141 I142W21-M136 HydrophobicContact CB-CE 3.71Å; W21-M136 HydrophobicContact CD2-CE 4.06Å; W21-M136 HydrophobicContact CD2-CG 4.01Å; W21-M136 HydrophobicContact CE3-CE 4.13Å; W21-M136 HydrophobicContact CE3-CG 4Å; W21-M136 HydrophobicContact CG-CE 3.91Å; W21-M136 HydrophobicContact CH2-CG 4.48Å; W21-M136 HydrophobicContact CZ2-CG 4.41Å; W21-M136 HydrophobicContact CZ3-CG 4.29Å; I25-M136 HydrophobicContact CD1-CE 4.15Å; V89-M136 HydrophobicContact CG1-CE 4.26Å; M93-M136 HydrophobicContact CE-CE 4Å; M93-M136 HydrophobicContact CE-SD 4.12Å; M93-M136 HydrophobicContact SD-CE 3.81Å; V112-M136 HydrophobicContact CG1-SD 3.79Å; M116-M136 HydrophobicContact CE-CE 3.91Å; M116-M136 HydrophobicContact CE-SD 3.63Å; L132-M136 WeakPolarHBondContact O-CB 3.38Å; L132-M136 VanDerWaalsContact O-CG 3.27Å; L132-M136 WeakPolarHBondContact O-CG 3.37Å; L132-M136 PolarHBondContact O-N 3.35Å; S133-M136 PolarHBondContact O-N 3.31Å; M136-A139 PolarHBondContact O-N 3.49Å; M136-G140 PolarHBondContact O-N 3.41Å; M136-I141 HydrophobicContact CB-CB 4.32Å; M136-I141 PolarHBondContact O-N 3.49Å; M136-I142 HydrophobicContact CB-CD1 3.61Å; M136-I142 HydrophobicContact CB-CG1 3.86Å; M136-I142 HydrophobicContact CG-CD1 4.46Å; M136-I142 PolarHBondContact O-N 3.34Å; M136-I142 HydrophobicContact SD-CD1 4.08Å
137M91.5Very high85Confident59 Ų5971.1 Ų71.129%0.29136%0.359SS..Hα-helixtrans-65.1-48.7172.7-178.2-175.9-73.300111S133 E135 A139 G140 I142 E144S133-M137 VanDerWaalsContact O-CB 3.26Å; S133-M137 WeakPolarHBondContact O-CB 3.31Å; S133-M137 PolarHBondContact O-N 2.93Å; E135-M137 VanDerWaalsContact C-N 3.35Å; E135-M137 PolarHBondContact O-N 2.93Å; M137-A139 PolarHBondContact O-N 2.83Å; M137-G140 PolarHBondContact O-N 2.83Å; M137-I142 WeakPolarHBondContact CA-O 3.31Å; M137-I142 HydrophobicContact CB-CB 4.34Å; M137-E144 HydrophobicContact CG-CG 4.02Å; M137-E144 HydrophobicContact SD-CG 3.68Å
138K90.7Very high83.1Confident168 Ų16875.2 Ų75.273%0.7337%0.37SS*.Hα-helixtrans-59.9-34.9175-73.1176.6179.8-175.70113K134 E135 G140K134-K138 WeakPolarHBondContact O-CG 3.36Å; K134-K138 PolarHBondContact O-N 3.12Å; K134-K138 VanDerWaalsContact O-N 3.09Å; E135-K138 PolarHBondContact O-N 2.96Å; K138-G140 PolarHBondContact O-N 2.89Å
139A89.7Confident80.8Confident30 Ų3078.6 Ų78.625%0.24839%0.39CS..THydrogen-bonded Turntrans-81.10.7178.100000114.2W21 L106 E135 M136 M137 I141W21-A139 HydrophobicContact CH2-CB 3.38Å; W21-A139 HydrophobicContact CZ2-CB 3.98Å; W21-A139 HydrophobicContact CZ3-CB 4.41Å; L106-A139 HydrophobicContact CD1-CB 4.05Å; E135-A139 WeakPolarHBondContact O-CB 3.35Å; E135-A139 PolarHBondContact O-N 3.09Å; M136-A139 PolarHBondContact O-N 3.49Å; M137-A139 PolarHBondContact O-N 2.83Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3Å
140G88.8Confident78.4Confident29 Ų2987.6 Ų87.630%0.29943%0.43SS..THydrogen-bonded Turntrans76.614.7176.400000115.1K108 M136 M137 K138K108-G140 WeakPolarHBondContact CG-O 3.44Å; K108-G140 PolarHBondContact N-O 3Å; M136-G140 PolarHBondContact O-N 3.41Å; M137-G140 PolarHBondContact O-N 2.83Å; K138-G140 PolarHBondContact O-N 2.89Å
141I89.7Confident76.5Confident0 Ų089.3 Ų89.30%044%0.444CS..SBendtrans-81.5-39.1172.5-63.9-179.7000110.5W21 M93 Q96 L106 K108 S109 V112 M136 A139W21-I141 HydrophobicContact CE3-CD1 4.12Å; W21-I141 HydrophobicContact CH2-CD1 4.19Å; W21-I141 HydrophobicContact CZ3-CD1 3.41Å; W21-I141 VanDerWaalsContact CZ3-CD1 3.41Å; M93-I141 HydrophobicContact CE-CD1 4.18Å; M93-I141 HydrophobicContact CE-CG2 4.17Å; M93-I141 HydrophobicContact SD-CD1 4.27Å; Q96-I141 HydrophobicContact CG-CD1 4.22Å; L106-I141 HydrophobicContact CB-CG1 4.08Å; L106-I141 HydrophobicContact CD1-CD1 4.01Å; L106-I141 HydrophobicContact CD1-CG1 4.06Å; L106-I141 HydrophobicContact CD2-CD1 4.3Å; L106-I141 HydrophobicContact CG-CG1 4.47Å; K108-I141 CarbonylContact C-O 3.49Å; K108-I141 VanDerWaalsContact CA-O 3.3Å; K108-I141 WeakPolarHBondContact CA-O 3.46Å; S109-I141 PolarHBondContact N-O 3.12Å; V112-I141 HydrophobicContact CB-CG2 4.3Å; V112-I141 HydrophobicContact CG1-CG2 4.08Å; V112-I141 HydrophobicContact CG2-CG2 4.45Å; M136-I141 HydrophobicContact CB-CB 4.32Å; M136-I141 PolarHBondContact O-N 3.49Å; A139-I141 VanDerWaalsContact C-N 3.34Å; A139-I141 PolarHBondContact O-N 3Å
142I89.7Confident74.1Confident6 Ų687.8 Ų87.83%0.03145%0.445CS..SBendtrans-107.5137.1179-62177.2000107.8V112 M113 M116 M136 M137V112-I142 HydrophobicContact CG1-CD1 4Å; V112-I142 HydrophobicContact CG1-CG1 3.98Å; M113-I142 HydrophobicContact CB-CG2 4.07Å; M113-I142 HydrophobicContact CG-CG2 4.06Å; M116-I142 HydrophobicContact CB-CD1 4.23Å; M116-I142 HydrophobicContact CG-CD1 4.33Å; M136-I142 HydrophobicContact CB-CD1 3.61Å; M136-I142 HydrophobicContact CB-CG1 3.86Å; M136-I142 HydrophobicContact CG-CD1 4.46Å; M136-I142 PolarHBondContact O-N 3.34Å; M136-I142 HydrophobicContact SD-CD1 4.08Å; M137-I142 WeakPolarHBondContact CA-O 3.31Å; M137-I142 HydrophobicContact CB-CB 4.34Å
143E83.8Confident71.8Confident82 Ų8295.9 Ų95.938%0.38349%0.485SS..  trans-76.1150.3173-63.5-16713600110.5K108 M145K108-E143 HydrophobicContact CD-CG 3.8Å; K108-E143 VanDerWaalsContact CD-OE1 3.27Å; K108-E143 WeakPolarHBondContact CD-OE1 3.39Å; K108-E143 WeakPolarHBondContact CE-OE1 3.25Å; K108-E143 HydrophobicContact CG-CG 4.23Å; K108-E143 IonicContact NZ-OE1 3.83Å; K108-E143 PolarHBondContact NZ-OE1 3.37Å; E143-M145 VanDerWaalsContact C-N 3.31Å; E143-M145 PolarHBondContact O-N 3.18Å
144E71Confident69.6Low170 Ų170100.9 Ų100.979%0.79451%0.505SS*.  trans-59.999166.5-81.9-177.5167.500108.1M137 L146M137-E144 HydrophobicContact CG-CG 4.02Å; M137-E144 HydrophobicContact SD-CG 3.68Å; E144-L146 PolarHBondContact O-N 3.33Å; E144-L146 VanDerWaalsContact O-N 3.15Å
145M59.4Low67.4Low80 Ų80101.5 Ų101.539%0.39452%0.515SS..  trans-65.2111.6166.2-73.2-177.570.900106.5M113 E143 E147M113-M145 HydrophobicContact CE-CB 4.49Å; M113-M145 HydrophobicContact CE-CE 4.08Å; M113-M145 HydrophobicContact CE-CG 3.09Å; M113-M145 HydrophobicContact CE-SD 3.46Å; M113-M145 WeakPolarHBondContact CE-SD 3.41Å; M113-M145 HydrophobicContact CG-CG 4.22Å; M113-M145 HydrophobicContact CG-SD 3.64Å; M113-M145 HydrophobicContact SD-CG 4.38Å; M113-M145 HydrophobicContact SD-SD 4.38Å; E143-M145 VanDerWaalsContact C-N 3.31Å; E143-M145 PolarHBondContact O-N 3.18Å; M145-E147 PolarHBondContact O-N 2.85Å
146L49Very low65.3Low149 Ų149104.2 Ų104.278%0.7853%0.531SS*.  trans-52.3125.6147.2-95.8130.4000104.9E144 D148E144-L146 PolarHBondContact O-N 3.33Å; E144-L146 VanDerWaalsContact O-N 3.15Å; L146-D148 PolarHBondContact O-N 3.31Å
147E55.2Low63.1Low178 Ų178111.5 Ų111.583%0.83257%0.565SS**  trans-67.763.1-178.8-165.4154.9-15400108.9M145 T149M145-E147 PolarHBondContact O-N 2.85Å; E147-T149 PolarHBondContact O-N 3.22Å
148D49.8Very low60.9Low131 Ų131117.1 Ų117.170%0.70159%0.593SS**  trans-71.393.3164.5-82.5-9.9000104.7L146 F150L146-D148 PolarHBondContact O-N 3.31Å; D148-F150 PolarHBondContact O-N 3.44Å
149T46.9Very low59.1Low113 Ų113114.5 Ų114.569%0.69358%0.583SS**  trans-49.665.616049.60000110.6E147 E151E147-T149 PolarHBondContact O-N 3.22Å; T149-E151 PolarHBondContact O-N 3.18Å
150F43Very low57.6Low189 Ų189119.5 Ų119.583%0.82960%0.602SS**  trans-83.683.9156.3-110.9-90.7000106.6D148 S152D148-F150 PolarHBondContact O-N 3.44Å; F150-S152 PolarHBondContact O-N 3.27Å
151E52.4Low56.5Low173 Ų173118.5 Ų118.581%0.80859%0.59SS**  trans-47.882.5155.7-72.5170.1156.300109.3T149 M153T149-E151 PolarHBondContact O-N 3.18Å; E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 2.99Å; E151-M153 VanDerWaalsContact O-N 3.1Å
152S44.5Very low55.7Low75 Ų75121.1 Ų121.152%0.52461%0.612SS.*  trans-80.487.8165.264.70000107.8F150 E154F150-S152 PolarHBondContact O-N 3.27Å; S152-E154 VanDerWaalsContact C-N 3.34Å; S152-E154 PolarHBondContact O-N 3.38Å
153M43.4Very low55.1Low170 Ų170127.8 Ų127.884%0.83764%0.643SS**SBendtrans45.445.1133.3-64.7168.45500117.3E151E151-M153 VanDerWaalsContact C-N 3.3Å; E151-M153 PolarHBondContact O-N 2.99Å; E151-M153 VanDerWaalsContact O-N 3.1Å
154E47.2Very low55.2Low132 Ų132126.9 Ų126.962%0.61765%0.649SS**  trans-121.617.1161.4-73.5-174.5-178.600111S152 D156S152-E154 VanDerWaalsContact C-N 3.34Å; S152-E154 PolarHBondContact O-N 3.38Å; E154-D156 PolarHBondContact O-N 3.4Å; E154-D156 VanDerWaalsContact O-N 3.09Å
155D45.4Very low55.8Low147 Ų147121.3 Ų121.379%0.78662%0.623SS**  trans-77.924.7170.3-138.724.7000111.8E157D155-E157 PolarHBondContact O-N 3.45Å
156D48Very low57.1Low107 Ų107117.7 Ų117.757%0.57261%0.606SS**  trans-81.626.8164.3-67.2-29.7000110.8E154 M158 E159E154-D156 PolarHBondContact O-N 3.4Å; E154-D156 VanDerWaalsContact O-N 3.09Å; D156-M158 PolarHBondContact O-N 3.46Å; D156-E159 HydrophobicContact CB-CG 4.35Å; D156-E159 PolarHBondContact O-N 3.16Å; D156-E159 VanDerWaalsContact O-N 3.17Å
157E45.2Very low58.9Low154 Ų154113.4 Ų113.472%0.7258%0.584SS**THydrogen-bonded Turntrans-67.710.1167.8-70.8-166161.600112.5K78 D155K78-E157 IonicContact NZ-OE1 3.96Å; K78-E157 PolarHBondContact NZ-OE1 3.34Å; D155-E157 PolarHBondContact O-N 3.45Å
158M47.1Very low60.5Low176 Ų176110.2 Ų110.287%0.86756%0.564SS**THydrogen-bonded Turntrans-131.825.6170.1-146.3-178.1-56.900114D156 E160D156-M158 PolarHBondContact O-N 3.46Å; M158-E160 VanDerWaalsContact C-N 3.33Å; M158-E160 PolarHBondContact O-N 2.99Å
159E53.2Low62.3Low114 Ų114104.3 Ų104.353%0.53353%0.532SS..  trans-69.599157.8-89.4-167.4164.200108R74 D156 A161R74-E159 IonicContact NH1-OE2 2.83Å; R74-E159 IonicContact NH2-OE2 2.93Å; D156-E159 HydrophobicContact CB-CG 4.35Å; D156-E159 PolarHBondContact O-N 3.16Å; D156-E159 VanDerWaalsContact O-N 3.17Å; E159-A161 PolarHBondContact O-N 3.41Å
160E57.4Low64.3Low135 Ų13599.2 Ų99.263%0.63150%0.501SS*.  trans-45115.9159.7-176.2164.7-155.200106.9K67 M158 A162K67-E160 IonicContact NZ-OE1 2.59Å; K67-E160 PolarHBondContact NZ-OE1 3.41Å; M158-E160 VanDerWaalsContact C-N 3.33Å; M158-E160 PolarHBondContact O-N 2.99Å; E160-A162 PolarHBondContact O-N 3.44Å
161A64.4Low66.5Low8 Ų894 Ų947%0.06648%0.478CS..  trans-45.5116.8-175.100000108.1V70 E159 E163 V166V70-A161 HydrophobicContact CB-CB 4Å; V70-A161 HydrophobicContact CG1-CB 3.78Å; V70-A161 HydrophobicContact CG2-CB 4.12Å; E159-A161 PolarHBondContact O-N 3.41Å; A161-E163 PolarHBondContact O-N 3.26Å; A161-E163 VanDerWaalsContact O-N 3.12Å; A161-V166 HydrophobicContact CB-CG2 3.79Å
162A73.3Confident68.1Low54 Ų5491.4 Ų91.445%0.44647%0.466SS..  trans-48.2127.7-171.200000108E160 A164 E165 V166E160-A162 PolarHBondContact O-N 3.44Å; A162-A164 CarbonylContact O-C 3.58Å; A162-A164 PolarHBondContact O-N 3.12Å; A162-E165 HydrophobicContact CB-CB 4.41Å; A162-E165 WeakPolarHBondContact O-CA 3.44Å; A162-E165 WeakPolarHBondContact O-CB 3.4Å; A162-E165 PolarHBondContact O-N 3.04Å; A162-V166 PolarHBondContact O-N 3.42Å
163E78.6Confident70.2Confident147 Ų14788.7 Ų88.769%0.68745%0.445SS*.Hα-helixtrans-52.3-33.5-173.5-66.2-179.5155.200111.3A161 E165 V166 D167A161-E163 PolarHBondContact O-N 3.26Å; A161-E163 VanDerWaalsContact O-N 3.12Å; E163-E165 PolarHBondContact O-N 3.26Å; E163-V166 PolarHBondContact O-N 2.88Å; E163-D167 WeakPolarHBondContact O-CB 3.49Å; E163-D167 PolarHBondContact O-N 2.65Å
164A84.1Confident72.2Confident62 Ų6281.2 Ų81.251%0.51241%0.409SS..Hα-helixtrans-61.7-35.9172.600000114.8A162 R168A162-A164 CarbonylContact O-C 3.58Å; A162-A164 PolarHBondContact O-N 3.12Å; A164-R168 VanDerWaalsContact O-CB 3.28Å; A164-R168 WeakPolarHBondContact O-CB 3.42Å; A164-R168 PolarHBondContact O-N 2.94Å
165E84.6Confident73.9Confident53 Ų5379.4 Ų79.425%0.24842%0.416CS..Hα-helixtrans-70.6-41.7174.6-167.3177.1-172.100110.7V70 R74 A162 E163 R168 I169V70-E165 HydrophobicContact CG1-CG 4.34Å; V70-E165 WeakPolarHBondContact CG1-OE2 3.41Å; V70-E165 HydrophobicContact CG2-CG 3.97Å; R74-E165 IonicContact CZ-OE2 3.06Å; R74-E165 IonicContact NE-OE2 2.73Å; R74-E165 IonicContact NH2-OE2 3.56Å; R74-E165 PolarHBondContact NH2-OE2 3.46Å; A162-E165 HydrophobicContact CB-CB 4.41Å; A162-E165 WeakPolarHBondContact O-CA 3.44Å; A162-E165 WeakPolarHBondContact O-CB 3.4Å; A162-E165 PolarHBondContact O-N 3.04Å; E163-E165 PolarHBondContact O-N 3.26Å; E165-R168 PolarHBondContact O-N 3.16Å; E165-I169 WeakPolarHBondContact O-CG1 3.21Å; E165-I169 PolarHBondContact O-N 3.14Å
166V87.1Confident75.3Confident5 Ų573.5 Ų73.53%0.0339%0.391CS..Hα-helixtrans-62.6-48.7175.8-179.10000110.7V63 A66 K67 V70 A161 A162 E163 R168 I169 L170V63-V166 HydrophobicContact CG1-CG1 4.34Å; A66-V166 HydrophobicContact CB-CG1 3.66Å; K67-V166 HydrophobicContact CG-CG1 4.35Å; K67-V166 HydrophobicContact CG-CG2 3.84Å; V70-V166 HydrophobicContact CG2-CG2 4.31Å; A161-V166 HydrophobicContact CB-CG2 3.79Å; A162-V166 PolarHBondContact O-N 3.42Å; E163-V166 PolarHBondContact O-N 2.88Å; V166-R168 VanDerWaalsContact C-N 3.33Å; V166-R168 PolarHBondContact O-N 3.46Å; V166-I169 PolarHBondContact O-N 3.25Å; V166-L170 HydrophobicContact CG1-CD1 4.29Å; V166-L170 WeakPolarHBondContact O-CG 3.34Å; V166-L170 PolarHBondContact O-N 2.93Å
167D86.4Confident76.4Confident59 Ų5972.4 Ų72.432%0.31640%0.396SS..Hα-helixtrans-62.3-39.3177.4-82.8-21.4000112R59 E163 L170 F171R59-D167 IonicContact NH2-OD1 3.9Å; E163-D167 WeakPolarHBondContact O-CB 3.49Å; E163-D167 PolarHBondContact O-N 2.65Å; D167-L170 PolarHBondContact O-N 3.44Å; D167-F171 WeakPolarHBondContact O-CB 3.22Å; D167-F171 PolarHBondContact O-N 2.91Å
168R88.1Confident77.6Confident111 Ų11166.6 Ų66.642%0.41937%0.37SS..Hα-helixtrans-59.9-48.3173.9-173.7-171.5-62.51421.4111.1A164 E165 V166 L170 F171 E172A164-R168 VanDerWaalsContact O-CB 3.28Å; A164-R168 WeakPolarHBondContact O-CB 3.42Å; A164-R168 PolarHBondContact O-N 2.94Å; E165-R168 PolarHBondContact O-N 3.16Å; V166-R168 VanDerWaalsContact C-N 3.33Å; V166-R168 PolarHBondContact O-N 3.46Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 3.41Å; R168-F171 PolarHBondContact O-N 3.48Å; R168-E172 HydrophobicContact CG-CG 4.48Å; R168-E172 WeakPolarHBondContact CG-OE1 3.33Å; R168-E172 WeakPolarHBondContact O-CB 3.26Å; R168-E172 WeakPolarHBondContact O-CG 3.46Å; R168-E172 PolarHBondContact O-N 3.12Å
169I88.4Confident78.5Confident7 Ų760.2 Ų60.24%0.03635%0.35CS..Hα-helixtrans-62.2-42.7178.4-72.3-173000111.2A66 M69 V70 K73 E165 V166 F171 E172 I173A66-I169 HydrophobicContact CB-CG2 4.25Å; M69-I169 HydrophobicContact CB-CD1 4.35Å; M69-I169 HydrophobicContact CB-CG2 4.12Å; M69-I169 HydrophobicContact CG-CD1 4Å; M69-I169 HydrophobicContact CG-CG2 3.83Å; V70-I169 HydrophobicContact CB-CD1 4.34Å; V70-I169 HydrophobicContact CG2-CD1 3.42Å; V70-I169 VanDerWaalsContact CG2-CD1 3.42Å; V70-I169 HydrophobicContact CG2-CG1 4.48Å; K73-I169 HydrophobicContact CD-CD1 4.33Å; E165-I169 WeakPolarHBondContact O-CG1 3.21Å; E165-I169 PolarHBondContact O-N 3.14Å; V166-I169 PolarHBondContact O-N 3.25Å; I169-F171 VanDerWaalsContact C-N 3.34Å; I169-F171 PolarHBondContact O-N 3.49Å; I169-E172 PolarHBondContact O-N 3.29Å; I169-I173 HydrophobicContact CG2-CD1 3.5Å; I169-I173 HydrophobicContact CG2-CG1 4.26Å; I169-I173 WeakPolarHBondContact O-CB 3.28Å; I169-I173 VanDerWaalsContact O-CG1 3.26Å; I169-I173 WeakPolarHBondContact O-CG1 3.41Å; I169-I173 PolarHBondContact O-N 2.9Å
170L88.4Confident78.6Confident6 Ų662.8 Ų62.83%0.03136%0.359CS..Hα-helixtrans-60.3-45.3176.5-75.2176.3000111.7I50 C62 V63 A66 V166 D167 R168 I173 T174 L178I50-L170 HydrophobicContact CG2-CD2 4.05Å; C62-L170 HydrophobicContact CB-CD2 3.67Å; C62-L170 WeakPolarHBondContact O-CD2 3.31Å; V63-L170 HydrophobicContact CG2-CD1 4.08Å; A66-L170 HydrophobicContact CB-CD1 4.31Å; A66-L170 HydrophobicContact CB-CD2 3.62Å; A66-L170 HydrophobicContact CB-CG 3.64Å; V166-L170 HydrophobicContact CG1-CD1 4.29Å; V166-L170 WeakPolarHBondContact O-CG 3.34Å; V166-L170 PolarHBondContact O-N 2.93Å; D167-L170 PolarHBondContact O-N 3.44Å; R168-L170 VanDerWaalsContact C-N 3.34Å; R168-L170 PolarHBondContact O-N 3.41Å; L170-I173 PolarHBondContact O-N 2.91Å; L170-T174 VanDerWaalsContact O-CB 3.31Å; L170-T174 WeakPolarHBondContact O-CB 3.37Å; L170-T174 WeakPolarHBondContact O-CG2 3.39Å; L170-T174 PolarHBondContact O-N 3.47Å; L170-T174 PolarHBondContact O-OG1 3.35Å; L170-L178 HydrophobicContact CD2-CD1 4.36Å
171F89Confident78.5Confident80 Ų8057.6 Ų57.635%0.35134%0.339SS..Hα-helixtrans-63.2-47.6177.6-175.8-96.7000112.1D167 R168 I169 I173 A175 G176 A181D167-F171 WeakPolarHBondContact O-CB 3.22Å; D167-F171 PolarHBondContact O-N 2.91Å; R168-F171 PolarHBondContact O-N 3.48Å; I169-F171 VanDerWaalsContact C-N 3.34Å; I169-F171 PolarHBondContact O-N 3.49Å; F171-I173 PolarHBondContact O-N 3.03Å; F171-A175 WeakPolarHBondContact O-CA 3.22Å; F171-A175 PolarHBondContact O-N 3.17Å; F171-G176 VanDerWaalsContact CD2-CA 3.49Å; F171-G176 VanDerWaalsContact CE2-CA 3.46Å; F171-G176 PolarHBondContact O-N 3.05Å; F171-G176 VanDerWaalsContact O-N 3.15Å; F171-A181 HydrophobicContact CB-CB 3.4Å; F171-A181 VanDerWaalsContact CB-CB 3.4Å; F171-A181 HydrophobicContact CD1-CB 4.05Å; F171-A181 HydrophobicContact CD2-CB 4.16Å; F171-A181 HydrophobicContact CG-CB 3.61Å
172E87.4Confident77.6Confident117 Ų11762 Ų6255%0.54737%0.367SS..Hα-helixtrans-60.2-41.6177.9-75175.9-16900112.5R168 I169R168-E172 HydrophobicContact CG-CG 4.48Å; R168-E172 WeakPolarHBondContact CG-OE1 3.33Å; R168-E172 WeakPolarHBondContact O-CB 3.26Å; R168-E172 WeakPolarHBondContact O-CG 3.46Å; R168-E172 PolarHBondContact O-N 3.12Å; I169-E172 PolarHBondContact O-N 3.29Å
173I87.7Confident76.4Confident18 Ų1863.1 Ų63.19%0.09237%0.372CS..Hα-helixtrans-77.9-38.2-176.9-67.6175.6000111.9K47 I50 K51 M69 I169 L170 F171K47-I173 HydrophobicContact CG-CD1 4.34Å; K47-I173 HydrophobicContact CG-CG1 4.29Å; K47-I173 HydrophobicContact CG-CG2 3.87Å; I50-I173 HydrophobicContact CB-CG2 3.98Å; I50-I173 HydrophobicContact CD1-CD1 3.66Å; I50-I173 HydrophobicContact CG2-CB 4.25Å; I50-I173 HydrophobicContact CG2-CG2 3.62Å; K51-I173 WeakPolarHBondContact CE-O 3.37Å; K51-I173 HydrophobicContact CG-CG2 3.89Å; M69-I173 HydrophobicContact CE-CD1 4.35Å; M69-I173 HydrophobicContact CG-CD1 4.41Å; I169-I173 HydrophobicContact CG2-CD1 3.5Å; I169-I173 HydrophobicContact CG2-CG1 4.26Å; I169-I173 WeakPolarHBondContact O-CB 3.28Å; I169-I173 VanDerWaalsContact O-CG1 3.26Å; I169-I173 WeakPolarHBondContact O-CG1 3.41Å; I169-I173 PolarHBondContact O-N 2.9Å; L170-I173 PolarHBondContact O-N 2.91Å; F171-I173 PolarHBondContact O-N 3.03Å
174T85.4Confident74.7Confident14 Ų1465 Ų659%0.08638%0.378CS..Hα-helixtrans-93.41.4-176.567.90000113.6I50 A54 L170 G176 A177 L178I50-T174 HydrophobicContact CG2-CG2 4.03Å; A54-T174 HydrophobicContact CB-CG2 3.59Å; L170-T174 VanDerWaalsContact O-CB 3.31Å; L170-T174 WeakPolarHBondContact O-CB 3.37Å; L170-T174 WeakPolarHBondContact O-CG2 3.39Å; L170-T174 PolarHBondContact O-N 3.47Å; L170-T174 PolarHBondContact O-OG1 3.35Å; T174-G176 PolarHBondContact O-N 3.46Å; T174-A177 WeakPolarHBondContact O-CB 3.34Å; T174-A177 PolarHBondContact O-N 3.23Å; T174-L178 HydrophobicContact CG2-CD1 3.8Å; T174-L178 HydrophobicContact CG2-CG 4.19Å
175A82.9Confident72.5Confident93 Ų9367.7 Ų67.777%0.76939%0.387SS*.THydrogen-bonded Turntrans50.938-17500000112.5F171 A177F171-A175 WeakPolarHBondContact O-CA 3.22Å; F171-A175 PolarHBondContact O-N 3.17Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A175-A177 PolarHBondContact O-N 3.15Å
176G74.7Confident70.3Confident24 Ų2470.5 Ų70.525%0.24741%0.408CS..THydrogen-bonded Turntrans78.65.2-179.400000116.3F171 T174 L178 G179F171-G176 VanDerWaalsContact CD2-CA 3.49Å; F171-G176 VanDerWaalsContact CE2-CA 3.46Å; F171-G176 PolarHBondContact O-N 3.05Å; F171-G176 VanDerWaalsContact O-N 3.15Å; T174-G176 PolarHBondContact O-N 3.46Å; G176-L178 PolarHBondContact O-N 2.92Å; G176-L178 VanDerWaalsContact O-N 3.17Å; G176-G179 PolarHBondContact O-N 3.07Å
177A71.9Confident68Low83 Ų8375.8 Ų75.869%0.68644%0.436SS*.THydrogen-bonded Turntrans-61.1-25.3-17900000114.2T174 A175T174-A177 WeakPolarHBondContact O-CB 3.34Å; T174-A177 PolarHBondContact O-N 3.23Å; A175-A177 VanDerWaalsContact C-N 3.34Å; A175-A177 PolarHBondContact O-N 3.15Å
178L70.6Confident65.9Low32 Ų3277.1 Ų77.117%0.16846%0.455CS..THydrogen-bonded Turntrans-92.73.8177.8-71.6175.9000114.4A54 R59 C62 L170 T174 G176A54-L178 HydrophobicContact CB-CD1 3.79Å; A54-L178 HydrophobicContact CB-CD2 4.04Å; A54-L178 HydrophobicContact CB-CG 3.85Å; R59-L178 PolarHBondContact NH1-O 2.88Å; R59-L178 VanDerWaalsContact NH1-O 3.12Å; C62-L178 HydrophobicContact CB-CD1 3.84Å; L170-L178 HydrophobicContact CD2-CD1 4.36Å; T174-L178 HydrophobicContact CG2-CD1 3.8Å; T174-L178 HydrophobicContact CG2-CG 4.19Å; G176-L178 PolarHBondContact O-N 2.92Å; G176-L178 VanDerWaalsContact O-N 3.17Å
179G65.1Low63.4Low43 Ų4377.1 Ų77.144%0.44346%0.463SS..  trans79.3177.9-167.900000113.2G176G176-G179 PolarHBondContact O-N 3.07Å
180K55.6Low61.2Low168 Ų16882.5 Ų82.573%0.7350%0.499SS*.  trans-47.8139.5-143.2-79.6-177.2175-178.60119.5P182K180-P182 HydrophobicContact CD-CG 4.35Å
181A54.2Low58.7Low25 Ų2590.9 Ų90.921%0.20754%0.537CS..  -129.5114.211900000110F171F171-A181 HydrophobicContact CB-CB 3.4Å; F171-A181 VanDerWaalsContact CB-CB 3.4Å; F171-A181 HydrophobicContact CD1-CB 4.05Å; F171-A181 HydrophobicContact CD2-CB 4.16Å; F171-A181 HydrophobicContact CG-CB 3.61Å
182P45.9Very low56.2Low100 Ų10095.5 Ų95.565%0.64956%0.562SS**  trans-117.8128131.230.7-24000108.9K180K180-P182 HydrophobicContact CD-CG 4.35Å
183S48.3Very low53.8Low79 Ų7998.3 Ų98.355%0.55258%0.575SS**  trans-99.6138.6177.169.40000111.4
184K42.2Very low51.5Low187 Ų187102.4 Ų102.481%0.81360%0.603SS**  trans7175.1-179.9-58.1-169.7178.5-172.60114.6T186K184-T186 PolarHBondContact O-N 3.42Å
185V37.6Very low49.1Very low117 Ų117107.8 Ų107.871%0.70964%0.639SS**  -78.289.9127.2-174.30000104D187V185-D187 HydrophobicContact CG1-CB 3.66Å; V185-D187 WeakPolarHBondContact CG1-OD1 3.36Å; V185-D187 PolarHBondContact O-N 3.03Å
186T39.5Very low46.7Very low113 Ų113107.6 Ų107.669%0.69364%0.637SS**  trans-59.7102139.141.10000102.2K184 A188K184-T186 PolarHBondContact O-N 3.42Å; T186-A188 PolarHBondContact O-N 2.76Å
187D38.2Very low44.6Very low116 Ų116111.2 Ų111.262%0.6267%0.665SS**  trans-71.959.1175.1-14210000107.3V185 L189V185-D187 HydrophobicContact CG1-CB 3.66Å; V185-D187 WeakPolarHBondContact CG1-OD1 3.36Å; V185-D187 PolarHBondContact O-N 3.03Å; D187-L189 HydrophobicContact CB-CD1 4.47Å; D187-L189 PolarHBondContact O-N 3.36Å; D187-L189 WeakPolarHBondContact OD1-CD1 3.45Å; D187-L189 WeakPolarHBondContact OD1-CG 3.37Å
188A42.5Very low43Very low86 Ų86111.7 Ų111.771%0.71167%0.669SS**  -74.588.413000000103T186T186-A188 PolarHBondContact O-N 2.76Å
189L35.9Very low41.2Very low112 Ų112115.4 Ų115.459%0.58670%0.697SS**  trans-38.5145.4148.5-75.4101.2000106.8D187 E191D187-L189 HydrophobicContact CB-CD1 4.47Å; D187-L189 PolarHBondContact O-N 3.36Å; D187-L189 WeakPolarHBondContact OD1-CD1 3.45Å; D187-L189 WeakPolarHBondContact OD1-CG 3.37Å; L189-E191 VanDerWaalsContact C-N 3.28Å; L189-E191 PolarHBondContact O-N 2.83Å
190P41.9Very low40.3Very low120 Ų120122 Ų12278%0.77972%0.716SS**  trans-50113.1149.3-5.719.4000103.9M192P190-M192 VanDerWaalsContact C-N 3.3Å; P190-M192 PolarHBondContact O-N 2.85Å
191E36.7Very low39.7Very low181 Ų181121.6 Ų121.685%0.84672%0.722SS**  trans-45114163-96177.7158.800103.6L189 E193L189-E191 VanDerWaalsContact C-N 3.28Å; L189-E191 PolarHBondContact O-N 2.83Å; E191-E193 VanDerWaalsContact C-N 3.33Å; E191-E193 PolarHBondContact O-N 2.82Å
192M36.8Very low39.2Very low178 Ų178127 Ų12788%0.87774%0.743SS**  trans-50.9113.1172.5-166.1157.274.100103.4P190 P194P190-M192 VanDerWaalsContact C-N 3.3Å; P190-M192 PolarHBondContact O-N 2.85Å; M192-P194 WeakPolarHBondContact O-CD 3.49Å
193E35.9Very low39.5Very low175 Ų175125.1 Ų125.182%0.81873%0.732SS**  trans-44.7123.5178.7-76.3178153.500106.2E191E191-E193 VanDerWaalsContact C-N 3.33Å; E191-E193 PolarHBondContact O-N 2.82Å
194P39.8Very low39.8Very low105 Ų105129.5 Ų129.568%0.68274%0.744SS**  trans-52.5137.3164.322.5-30.1000106.3M192 A196M192-P194 WeakPolarHBondContact O-CD 3.49Å; P194-A196 PolarHBondContact O-N 3.16Å; P194-A196 VanDerWaalsContact O-N 3.16Å
195P34.7Very low40.3Very low127 Ų127127.9 Ų127.983%0.82574%0.739SS**SBendtrans-57.1130.9179.925.7-32.1000108.4
196A32.7Very low41.4Very low89 Ų89125.9 Ų125.974%0.73673%0.725SS**  trans62.3104.1168.100000115.8P194 A198P194-A196 PolarHBondContact O-N 3.16Å; P194-A196 VanDerWaalsContact O-N 3.16Å; A196-A198 PolarHBondContact O-N 2.95Å
197A31.6Very low42.6Very low100 Ų100124 Ų12483%0.82671%0.71SS**  trans-52.1104.7131.300000107S199A197-S199 PolarHBondContact O-N 2.92Å
198A37.3Very low44.2Very low93 Ų93125.1 Ų125.177%0.76971%0.711SS**  trans-54.497155.800000106.7A196 E200A196-A198 PolarHBondContact O-N 2.95Å; A198-E200 PolarHBondContact O-N 3.38Å
199S33Very low45.6Very low110 Ų110126.2 Ų126.277%0.76970%0.702SS**  trans-71112.2150.252.50000105.7A197 D201A197-S199 PolarHBondContact O-N 2.92Å; S199-D201 PolarHBondContact O-N 3.1Å; S199-D201 VanDerWaalsContact O-N 3.15Å
200E47Very low47.2Very low180 Ų180125.9 Ų125.984%0.84170%0.698SS**SBendtrans-29.7109.8160.7-62.3167.7158.600111.5A198A198-E200 PolarHBondContact O-N 3.38Å
201D42.7Very low48.6Very low160 Ų160126.1 Ų126.186%0.85669%0.689SS**  trans-162.162.6146.3-95.7-28.8000105.6S199 S203S199-D201 PolarHBondContact O-N 3.1Å; S199-D201 VanDerWaalsContact O-N 3.15Å; D201-S203 PolarHBondContact O-N 3.15Å
202E42.8Very low50.5Low138 Ų138120.9 Ų120.965%0.64567%0.672SS**  trans-71104.3158-74.3-173.116900106.1
203S53.1Low52.2Low61 Ų61120.3 Ų120.343%0.42766%0.66SS.*  trans-61.2144.9170.132.70000110.1D201 E205 D206D201-S203 PolarHBondContact O-N 3.15Å; S203-E205 PolarHBondContact O-N 3.18Å; S203-D206 PolarHBondContact O-N 3.47Å; S203-D206 PolarHBondContact OG-OD2 3.46Å
204E53.5Low53.9Low172 Ų172117.3 Ų117.380%0.80465%0.65SS**Hα-helixtrans-50.2-24.5177.8-67.6-179.6155.200113E208E204-E208 PolarHBondContact O-N 3.32Å
205E53.7Low55.4Low152 Ų152115.4 Ų115.471%0.7164%0.643SS**Hα-helixtrans-65.2-34.9175.7-65.5-176.5164.600113.7S203 E209S203-E205 PolarHBondContact O-N 3.18Å; E205-E209 PolarHBondContact O-N 3.13Å; E205-E209 VanDerWaalsContact O-N 3.15Å
206D60.2Low57.2Low75 Ų75112.7 Ų112.740%0.40163%0.631SS.*Hα-helixtrans-75.6-30.9-177.5-67.7-46000112.1S203 M210S203-D206 PolarHBondContact O-N 3.47Å; S203-D206 PolarHBondContact OG-OD2 3.46Å; D206-M210 PolarHBondContact O-N 3.4Å
207I65.1Low58.8Low74 Ų74115.6 Ų115.638%0.37963%0.633SS.*Hα-helixtrans-72.7-39.4177.2-58.1176.4000110.1M210 Q211I207-M210 PolarHBondContact O-N 3.18Å; I207-Q211 VanDerWaalsContact O-CG 3.31Å; I207-Q211 WeakPolarHBondContact O-CG 3.45Å; I207-Q211 PolarHBondContact O-N 3.07Å
208E71Confident60.3Low140 Ų140122 Ų12265%0.65464%0.636SS**Hα-helixtrans-65.9-39.2175.1-75.1-170.7164.300112.1E204 M210 Q211 S212E204-E208 PolarHBondContact O-N 3.32Å; E208-M210 PolarHBondContact O-N 3.45Å; E208-Q211 PolarHBondContact O-N 3Å; E208-S212 PolarHBondContact O-N 3.31Å
209E72.9Confident61Low109 Ų109125.3 Ų125.351%0.50965%0.653SS.*Hα-helixtrans-66.5-38178.3-143.9-172.2-161.900111.7E205 S212 R213E205-E209 PolarHBondContact O-N 3.13Å; E205-E209 VanDerWaalsContact O-N 3.15Å; E209-S212 PolarHBondContact O-N 3.49Å; E209-S212 PolarHBondContact O-OG 3.48Å; E209-R213 PolarHBondContact O-N 3.48Å
210M68.6Low62.4Low104 Ų104126.1 Ų126.151%0.51265%0.648SS.*Hα-helixtrans-66-40.4173.6-115.8-174.7-67.600112.9D206 I207 E208 R213 L214D206-M210 PolarHBondContact O-N 3.4Å; I207-M210 PolarHBondContact O-N 3.18Å; E208-M210 PolarHBondContact O-N 3.45Å; M210-R213 PolarHBondContact O-N 3.14Å; M210-L214 WeakPolarHBondContact O-CG 3.31Å; M210-L214 PolarHBondContact O-N 2.78Å; M210-L214 VanDerWaalsContact O-N 3.13Å
211Q71.6Confident63.2Low125 Ų125123.3 Ų123.358%0.58464%0.637SS**Hα-helixtrans-66.5-37.7177.7-73.3179.414.400112.1I207 E208 R213 L214 A215I207-Q211 VanDerWaalsContact O-CG 3.31Å; I207-Q211 WeakPolarHBondContact O-CG 3.45Å; I207-Q211 PolarHBondContact O-N 3.07Å; E208-Q211 PolarHBondContact O-N 3Å; Q211-R213 PolarHBondContact O-N 2.9Å; Q211-L214 PolarHBondContact O-N 3.28Å; Q211-A215 PolarHBondContact O-N 3.02Å
212S76.6Confident64.4Low71 Ų71121.2 Ų121.250%0.49763%0.625SS.*Hα-helixtrans-63.7-38.9176.4790000112.5E208 E209 A215 A216E208-S212 PolarHBondContact O-N 3.31Å; E209-S212 PolarHBondContact O-N 3.49Å; E209-S212 PolarHBondContact O-OG 3.48Å; S212-A215 PolarHBondContact O-N 3.3Å; S212-A216 PolarHBondContact O-N 3.22Å
213R72Confident65.7Low166 Ų166120.2 Ų120.263%0.62662%0.624SS**Hα-helixtrans-68.3-37.4175.4-79.6-175.21741425.7112.8E209 M210 Q211 A216 L217E209-R213 PolarHBondContact O-N 3.48Å; M210-R213 PolarHBondContact O-N 3.14Å; Q211-R213 PolarHBondContact O-N 2.9Å; R213-A216 PolarHBondContact O-N 2.9Å; R213-L217 PolarHBondContact O-N 3.48Å
214L71Confident66.4Low113 Ų113123.9 Ų123.959%0.59264%0.637SS**Hα-helixtrans-70.7-32176.9-72.1172.6000112.6M210 Q211M210-L214 WeakPolarHBondContact O-CG 3.31Å; M210-L214 PolarHBondContact O-N 2.78Å; M210-L214 VanDerWaalsContact O-N 3.13Å; Q211-L214 PolarHBondContact O-N 3.28Å
215A73.1Confident67.3Low65 Ų65120.7 Ų120.754%0.53763%0.625SS.*Hα-helixtrans-70-37.5174.600000112.4Q211 S212 L217 R218Q211-A215 PolarHBondContact O-N 3.02Å; S212-A215 PolarHBondContact O-N 3.3Å; A215-L217 PolarHBondContact O-N 3.15Å; A215-R218 PolarHBondContact O-N 3.36Å; A215-R218 VanDerWaalsContact O-N 3.1Å
216A72.1Confident68.3Low69 Ų69118.5 Ų118.557%0.5762%0.619SS**Hα-helixtrans-67.2-20.1177.200000113.9S212 R213S212-A216 PolarHBondContact O-N 3.22Å; R213-A216 PolarHBondContact O-N 2.9Å
217L66.9Low68.9Low150 Ų150121.8 Ų121.879%0.78564%0.636SS**THydrogen-bonded Turntrans-90.3-4.8174.5-73.2165.5000113.4R213 A215R213-L217 PolarHBondContact O-N 3.48Å; A215-L217 PolarHBondContact O-N 3.15Å
218R61.1Low69.2Low236 Ų236125.8 Ų125.889%0.89166%0.658SS**  trans-107.45.7177.6-85-174.2173.2179.50.3113.8A215A215-R218 PolarHBondContact O-N 3.36Å; A215-R218 VanDerWaalsContact O-N 3.1Å
219S53.7Low69.1Low162 Ų162124.5 Ų124.5100%1.13366%0.658SS**  trans-1020166.880.90000111.7

Retrieved 219 of 219 residues in 860.4 ms (Link to these results)

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