A0A060D366_MAIZE Loading...

MYB transcription factor

AlphaFold DB (K7V354), UniProt , Accession A0A060D366, Species MAIZE (Zea mays, Maize), Gene MYB63, Length 270 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
1M44.7Very low61.6Low248 Ų248120.9 Ų120.9100%1.22270%0.704SS**  0121.50-66.2-178-115.500108.8
2G54.6Low63Low78 Ų78115.7 Ų115.780%0.80467%0.67SS**PPolyproline II helixtrans-74.7142.1177.800000111.9S4G2-S4 PolarHBondContact O-N 2.89Å
3R65.6Low64.3Low207 Ų207116.5 Ų116.578%0.78166%0.661SS**PPolyproline II helixtrans-70.2117172.1-72.9-175.3177.8-170.61.8108.6
4S63.3Low65.6Low86 Ų86119.8 Ų119.860%0.60166%0.664SS**PPolyproline II helixtrans-54.6140.1174.1-44.20000111G2 C6 R38G2-S4 PolarHBondContact O-N 2.89Å; S4-C6 PolarHBondContact O-N 3.16Å; S4-R38 PolarHBondContact O-NH1 2.91Å
5P66.7Low67.1Low104 Ų104114.9 Ų114.968%0.67565%0.652SS**PPolyproline II helixtrans-47.2134.9173.3-28.135.5000111.1C7P5-C7 PolarHBondContact O-N 2.93Å
6C62.6Low68.8Low71 Ų71115 Ų11548%0.4866%0.658SS.*SBendtrans-82.2-0.6-174.768.10000114.1S4S4-C6 PolarHBondContact O-N 3.16Å
7C63.8Low70.3Confident45 Ų45110.8 Ų110.830%0.30463%0.63SS.*  trans-144.6114.8-179.9-50.50000107P5 L12 C49P5-C7 PolarHBondContact O-N 2.93Å; C7-L12 HydrophobicContact CB-CD1 4.18Å; C7-C49 HydrophobicContact CB-CB 4.23Å; C7-C49 WeakPolarHBondContact SG-CB 3.48Å; C7-C49 PolarHBondContact SG-SG 3.12Å
8D60Low71.7Confident131 Ų131108 Ų10870%0.70162%0.615SS**  trans-73.8122.8157.6-57.9-49.7000106.1N10 L12D8-N10 PolarHBondContact O-N 3.36Å; D8-N10 VanDerWaalsContact O-N 3.14Å; D8-L12 WeakPolarHBondContact O-CD1 3.35Å
9E60.7Low73Confident133 Ų133110.4 Ų110.462%0.62162%0.62SS**  trans-71.4-10.2-165.7-72.7-130.191.500114.4G11 K14E9-G11 PolarHBondContact O-N 3.01Å; E9-K14 IonicContact OE1-NZ 2.74Å; E9-K14 PolarHBondContact OE1-NZ 3.31Å
10N62.2Low74.2Confident159 Ų159110.5 Ų110.585%0.8562%0.615SS**SBendtrans-86.692.6-170.1-62.456.3000111.3D8D8-N10 PolarHBondContact O-N 3.36Å; D8-N10 VanDerWaalsContact O-N 3.14Å
11G73.2Confident75.2Confident68 Ų68106 Ų10670%0.70159%0.59SS**SBendtrans103.90.7165.300000117E9E9-G11 PolarHBondContact O-N 3.01Å
12L78.5Confident77.7Confident58 Ų5895.1 Ų95.130%0.30454%0.537SS..  trans-75133.6175.8-62.5178.8000111.7C7 D8 K14 C49C7-L12 HydrophobicContact CB-CD1 4.18Å; D8-L12 WeakPolarHBondContact O-CD1 3.35Å; L12-K14 PolarHBondContact O-N 3.04Å; L12-C49 HydrophobicContact CD1-CB 3.98Å
13K80.2Confident79.8Confident126 Ų12697.5 Ų97.555%0.54853%0.527SS..  trans-68114.2177.9-74.7-172.5174.7-175.50111N47 R48K13-N47 PolarHBondContact N-O 3.44Å; K13-R48 VanDerWaalsContact O-CD 3.25Å; K13-R48 WeakPolarHBondContact O-CD 3.28Å; K13-R48 PolarHBondContact O-NH1 3.28Å
14K82.3Confident81.2Confident163 Ų16392.8 Ų92.871%0.70951%0.512SS*.  trans-94.7128.8167-62.2175.5-178.6176.40107.8E9 L12E9-K14 IonicContact OE1-NZ 2.74Å; E9-K14 PolarHBondContact OE1-NZ 3.31Å; L12-K14 PolarHBondContact O-N 3.04Å
15G88.6Confident82.8Confident46 Ų4688.7 Ų88.747%0.47448%0.483SS..SBendtrans143179.9-175.400000113.8R48G15-R48 PolarHBondContact O-NH1 2.7Å
16P92.9Very high84.2Confident117 Ų11786.4 Ų86.476%0.7647%0.465SS*.PPolyproline II helixtrans-58.7154.8178.227.4-35.8000111.7R48P16-R48 PolarHBondContact O-NH2 3.23Å
17W95.3Very high85.8Confident44 Ų4488.6 Ų88.617%0.16747%0.468CS..PPolyproline II helixtrans-80.5134.7175.3-81.677.9000110.5E21 D22 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.71Å; W17-E21 HydrophobicContact CZ3-CB 3.93Å; W17-D22 VanDerWaalsContact CE3-OD1 3.28Å; W17-L25 HydrophobicContact CH2-CD2 3.69Å; W17-L25 HydrophobicContact CZ3-CB 4.38Å; W17-L25 HydrophobicContact CZ3-CD2 3.74Å; W17-L46 HydrophobicContact CH2-CD2 3.54Å; W17-L46 HydrophobicContact CZ3-CD2 3.47Å; W17-L46 VanDerWaalsContact CZ3-CD2 3.47Å; W17-R48 HydrophobicContact CH2-CB 4.35Å; W17-R48 HydrophobicContact CH2-CG 4.1Å; W17-R48 HydrophobicContact CZ2-CB 4.34Å; W17-R48 HydrophobicContact CZ2-CG 4.13Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.27Å; W17-S52 PolarHBondContact NE1-OG 3.19Å; W17-C53 HydrophobicContact CH2-CB 4.4Å; W17-R56 HydrophobicContact CD2-CB 4.04Å; W17-R56 HydrophobicContact CD2-CG 3.58Å; W17-R56 HydrophobicContact CE3-CB 4.45Å; W17-R56 HydrophobicContact CE3-CG 3.81Å; W17-R56 HydrophobicContact CG-CG 3.97Å; W17-R56 HydrophobicContact CH2-CB 4.16Å; W17-R56 HydrophobicContact CH2-CG 4.34Å; W17-R56 HydrophobicContact CZ2-CB 3.71Å; W17-R56 HydrophobicContact CZ2-CG 4.14Å; W17-R56 HydrophobicContact CZ3-CB 4.49Å; W17-R56 HydrophobicContact CZ3-CG 4.17Å
18T95.7Very high87.4Confident60 Ų6088.3 Ų88.337%0.36846%0.461SS..PPolyproline II helixtrans-92.9159173.4780000111E20 E21 D22T18-E20 VanDerWaalsContact C-N 3.27Å; T18-E20 WeakPolarHBondContact CB-OE2 3.48Å; T18-E20 PolarHBondContact O-N 3.49Å; T18-E20 PolarHBondContact OG1-OE2 3.38Å; T18-E21 PolarHBondContact N-OE2 3.45Å; T18-E21 VanDerWaalsContact N-OE2 3.1Å; T18-E21 PolarHBondContact O-N 3.29Å; T18-E21 VanDerWaalsContact O-N 3.13Å; T18-D22 PolarHBondContact O-N 3.07Å; T18-D22 VanDerWaalsContact O-N 3.08Å
19Q96Very high89.1Confident153 Ų15382.7 Ų82.772%0.71543%0.431SS*.Hα-helixtrans-62.2-36.7-178.1-70.8-179.9-19.100111.5E21 D22 E23Q19-E21 VanDerWaalsContact C-N 3.29Å; Q19-E21 PolarHBondContact O-N 2.9Å; Q19-D22 WeakPolarHBondContact O-CB 3.37Å; Q19-D22 PolarHBondContact O-N 3.49Å; Q19-E23 WeakPolarHBondContact O-CG 3.49Å; Q19-E23 PolarHBondContact O-N 2.91Å
20E96.5Very high90.8Very high112 Ų11283 Ų8352%0.52343%0.432SS..Hα-helixtrans-69-25.4178-4682.5172.100112.6T18 K24T18-E20 VanDerWaalsContact C-N 3.27Å; T18-E20 WeakPolarHBondContact CB-OE2 3.48Å; T18-E20 PolarHBondContact O-N 3.49Å; T18-E20 PolarHBondContact OG1-OE2 3.38Å; E20-K24 WeakPolarHBondContact O-CD 3.34Å; E20-K24 VanDerWaalsContact O-CG 3.26Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3.43Å
21E96.4Very high92.4Very high16 Ų1683 Ų838%0.07542%0.424CS..Hα-helixtrans-78-38.7171.2-70.3176.2128.500111.5W17 T18 Q19 L25 R48W17-E21 HydrophobicContact CE3-CB 3.71Å; W17-E21 HydrophobicContact CZ3-CB 3.93Å; T18-E21 PolarHBondContact N-OE2 3.45Å; T18-E21 VanDerWaalsContact N-OE2 3.1Å; T18-E21 PolarHBondContact O-N 3.29Å; T18-E21 VanDerWaalsContact O-N 3.13Å; Q19-E21 VanDerWaalsContact C-N 3.29Å; Q19-E21 PolarHBondContact O-N 2.9Å; E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 PolarHBondContact O-N 2.94Å; E21-R48 IonicContact OE1-CZ 2.62Å; E21-R48 IonicContact OE1-NE 3.45Å; E21-R48 PolarHBondContact OE1-NE 3.49Å; E21-R48 IonicContact OE1-NH2 2.67Å; E21-R48 PolarHBondContact OE1-NH2 2.78Å; E21-R48 IonicContact OE2-CZ 3.6Å; E21-R48 IonicContact OE2-NE 2.82Å; E21-R48 IonicContact OE2-NH2 3.27Å; E21-R48 PolarHBondContact OE2-NH2 2.97Å
22D97Very high93.4Very high20 Ų2084.3 Ų84.311%0.10742%0.416CS..Hα-helixtrans-64.8-43.3175.3-71.9-29.4000111.7W17 T18 Q19 L25 L26 R56 L61W17-D22 VanDerWaalsContact CE3-OD1 3.28Å; T18-D22 PolarHBondContact O-N 3.07Å; T18-D22 VanDerWaalsContact O-N 3.08Å; Q19-D22 WeakPolarHBondContact O-CB 3.37Å; Q19-D22 PolarHBondContact O-N 3.49Å; D22-L25 PolarHBondContact O-N 3.47Å; D22-L26 VanDerWaalsContact O-CB 3.25Å; D22-L26 WeakPolarHBondContact O-CB 3.42Å; D22-L26 PolarHBondContact O-N 3.29Å; D22-R56 WeakPolarHBondContact OD1-CG 3.42Å; D22-R56 IonicContact OD1-CZ 2.78Å; D22-R56 IonicContact OD1-NE 3.44Å; D22-R56 PolarHBondContact OD1-NE 3.49Å; D22-R56 IonicContact OD1-NH2 2.67Å; D22-R56 IonicContact OD2-CZ 3.27Å; D22-R56 IonicContact OD2-NE 3.53Å; D22-R56 PolarHBondContact OD2-NE 3.32Å; D22-R56 IonicContact OD2-NH2 3.51Å; D22-R56 PolarHBondContact OD2-NH2 2.85Å; D22-L61 HydrophobicContact CB-CD1 3.94Å; D22-L61 HydrophobicContact CB-CD2 3.86Å
23E97Very high94.2Very high128 Ų12883.2 Ų83.260%0.59842%0.419SS*.Hα-helixtrans-58.9-47.1175.4-77.3175.3-177.100112.1Q19 L25 L26 H27Q19-E23 WeakPolarHBondContact O-CG 3.49Å; Q19-E23 PolarHBondContact O-N 2.91Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.39Å; E23-L26 PolarHBondContact O-N 3.31Å; E23-H27 VanDerWaalsContact O-CB 3.23Å; E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.31Å
24K96.5Very high94.7Very high108 Ų10881.6 Ų81.647%0.4741%0.413SS..Hα-helixtrans-62.2-41.7176.3-73.4172-177.6-179.40112E20 Y28 L46E20-K24 WeakPolarHBondContact O-CD 3.34Å; E20-K24 VanDerWaalsContact O-CG 3.26Å; E20-K24 WeakPolarHBondContact O-CG 3.47Å; E20-K24 PolarHBondContact O-N 3.43Å; K24-Y28 VanDerWaalsContact O-CB 3.3Å; K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 3.2Å; K24-L46 HydrophobicContact CB-CD1 3.47Å; K24-L46 VanDerWaalsContact CB-CD1 3.47Å; K24-L46 HydrophobicContact CD-CD1 4.27Å
25L96.7Very high95.1Very high0 Ų076.5 Ų76.50%041%0.406CS..Hα-helixtrans-64.1-46.3177178.355.8000111.2W17 E21 D22 E23 I29 L40 L46 C53 R56 L61W17-L25 HydrophobicContact CH2-CD2 3.69Å; W17-L25 HydrophobicContact CZ3-CB 4.38Å; W17-L25 HydrophobicContact CZ3-CD2 3.74Å; E21-L25 WeakPolarHBondContact O-CB 3.41Å; E21-L25 PolarHBondContact O-N 2.94Å; D22-L25 PolarHBondContact O-N 3.47Å; E23-L25 VanDerWaalsContact C-N 3.34Å; E23-L25 PolarHBondContact O-N 3.39Å; L25-I29 HydrophobicContact CD1-CD1 3.57Å; L25-I29 HydrophobicContact CD1-CG1 4.26Å; L25-I29 HydrophobicContact CG-CD1 4.05Å; L25-I29 WeakPolarHBondContact O-CB 3.33Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.08Å; L25-L40 HydrophobicContact CD1-CD1 4.4Å; L25-L40 HydrophobicContact CD1-CD2 3.47Å; L25-L40 VanDerWaalsContact CD1-CD2 3.47Å; L25-L46 HydrophobicContact CB-CD2 4.13Å; L25-C53 HydrophobicContact CD1-CB 4.05Å; L25-C53 HydrophobicContact CD2-CB 4.34Å; L25-R56 HydrophobicContact CD2-CB 4.07Å; L25-R56 HydrophobicContact CD2-CG 4.12Å; L25-L61 HydrophobicContact CB-CD1 4.26Å; L25-L61 HydrophobicContact CD2-CD1 3.71Å; L25-L61 HydrophobicContact CG-CD1 4.04Å
26L96.3Very high95.3Very high56 Ų5677.4 Ų77.429%0.29341%0.406SS..Hα-helixtrans-63-52.2178.2179.363.3000111.5D22 E23 Y28 I29 Q30 W57D22-L26 VanDerWaalsContact O-CB 3.25Å; D22-L26 WeakPolarHBondContact O-CB 3.42Å; D22-L26 PolarHBondContact O-N 3.29Å; E23-L26 PolarHBondContact O-N 3.31Å; L26-Y28 VanDerWaalsContact C-N 3.35Å; L26-Y28 PolarHBondContact O-N 3.35Å; L26-I29 PolarHBondContact O-N 3.2Å; L26-Q30 HydrophobicContact CD1-CG 4.18Å; L26-Q30 HydrophobicContact CG-CG 4.45Å; L26-Q30 WeakPolarHBondContact O-CB 3.38Å; L26-Q30 VanDerWaalsContact O-CG 3.3Å; L26-Q30 WeakPolarHBondContact O-CG 3.35Å; L26-Q30 PolarHBondContact O-N 3.43Å; L26-W57 HydrophobicContact CD1-CH2 4.15Å; L26-W57 HydrophobicContact CD1-CZ3 3.72Å
27H96.2Very high95.4Very high118 Ų11873.8 Ų73.855%0.54638%0.377SS..Hα-helixtrans-59.8-42.5179.7173-99000112E23 K31E23-H27 VanDerWaalsContact O-CB 3.23Å; E23-H27 WeakPolarHBondContact O-CB 3.18Å; E23-H27 PolarHBondContact O-N 3.31Å; H27-K31 WeakPolarHBondContact O-CB 3.44Å; H27-K31 PolarHBondContact O-N 3.49Å
28Y96.8Very high95.2Very high38 Ų3878.7 Ų78.715%0.14940%0.395CS..Hα-helixtrans-61.7-48.2174.9-178.2-86.5000111.6K24 L26 Q30 K31 N32 L40 L43 A44K24-Y28 VanDerWaalsContact O-CB 3.3Å; K24-Y28 WeakPolarHBondContact O-CB 3.35Å; K24-Y28 PolarHBondContact O-N 3.2Å; L26-Y28 VanDerWaalsContact C-N 3.35Å; L26-Y28 PolarHBondContact O-N 3.35Å; Y28-Q30 PolarHBondContact O-N 2.98Å; Y28-K31 PolarHBondContact O-N 3.37Å; Y28-N32 HydrophobicContact CE1-CB 4.07Å; Y28-N32 HydrophobicContact CE2-CB 4.31Å; Y28-N32 WeakPolarHBondContact O-CB 3.35Å; Y28-N32 PolarHBondContact O-N 2.89Å; Y28-L40 HydrophobicContact CD1-CD1 3.87Å; Y28-L40 HydrophobicContact CD1-CG 3.74Å; Y28-L40 HydrophobicContact CE1-CB 4.37Å; Y28-L40 HydrophobicContact CE1-CD1 3.92Å; Y28-L40 HydrophobicContact CE1-CG 3.72Å; Y28-L43 HydrophobicContact CE2-CB 3.52Å; Y28-L43 WeakPolarHBondContact OH-CB 3.45Å; Y28-L43 WeakPolarHBondContact OH-CD1 3.47Å; Y28-A44 HydrophobicContact CD1-CB 4.22Å; Y28-A44 HydrophobicContact CD2-CB 3.75Å; Y28-A44 HydrophobicContact CG-CB 3.57Å
29I96.6Very high95Very high13 Ų1378.6 Ų78.67%0.06740%0.395CS..Hα-helixtrans-66.7-37.2-178.6-68.5171.6000111.6L25 L26 G33 H34 W37 L40 W57L25-I29 HydrophobicContact CD1-CD1 3.57Å; L25-I29 HydrophobicContact CD1-CG1 4.26Å; L25-I29 HydrophobicContact CG-CD1 4.05Å; L25-I29 WeakPolarHBondContact O-CB 3.33Å; L25-I29 VanDerWaalsContact O-CG1 3.28Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.08Å; L26-I29 PolarHBondContact O-N 3.2Å; I29-G33 WeakPolarHBondContact O-CA 3.47Å; I29-G33 PolarHBondContact O-N 2.89Å; I29-H34 HydrophobicContact CD1-CB 4.46Å; I29-H34 HydrophobicContact CG1-CB 4.33Å; I29-H34 HydrophobicContact CG2-CB 4.48Å; I29-W37 HydrophobicContact CD1-CH2 3.81Å; I29-W37 HydrophobicContact CD1-CZ3 4.04Å; I29-L40 HydrophobicContact CD1-CD1 4.08Å; I29-L40 HydrophobicContact CG1-CD1 3.79Å; I29-W57 HydrophobicContact CB-CH2 4.29Å; I29-W57 HydrophobicContact CB-CZ3 4.22Å; I29-W57 HydrophobicContact CD1-CB 4.3Å; I29-W57 HydrophobicContact CD1-CD2 3.55Å; I29-W57 HydrophobicContact CD1-CE3 3.45Å; I29-W57 VanDerWaalsContact CD1-CE3 3.45Å; I29-W57 HydrophobicContact CD1-CG 3.93Å; I29-W57 HydrophobicContact CD1-CZ3 4Å; I29-W57 HydrophobicContact CG2-CD2 4.42Å; I29-W57 HydrophobicContact CG2-CE3 4.4Å; I29-W57 HydrophobicContact CG2-CH2 3.65Å; I29-W57 HydrophobicContact CG2-CZ2 3.64Å; I29-W57 HydrophobicContact CG2-CZ3 4.03Å
30Q95.2Very high94.9Very high141 Ų14171.3 Ų71.366%0.65936%0.361SS*.Hα-helixtrans-63.7-39.2174.7-75174-1400112.3L26 Y28L26-Q30 HydrophobicContact CD1-CG 4.18Å; L26-Q30 HydrophobicContact CG-CG 4.45Å; L26-Q30 WeakPolarHBondContact O-CB 3.38Å; L26-Q30 VanDerWaalsContact O-CG 3.3Å; L26-Q30 WeakPolarHBondContact O-CG 3.35Å; L26-Q30 PolarHBondContact O-N 3.43Å; Y28-Q30 PolarHBondContact O-N 2.98Å
31K95.8Very high94.7Very high157 Ų15766.3 Ų66.368%0.68334%0.338SS*.Hα-helixtrans-81-36.3-177.4-174.1177.5179.9175.40114H27 Y28H27-K31 WeakPolarHBondContact O-CB 3.44Å; H27-K31 PolarHBondContact O-N 3.49Å; Y28-K31 PolarHBondContact O-N 3.37Å
32N95.2Very high94.5Very high97 Ų9775.1 Ų75.152%0.51937%0.371SS..Hα-helixtrans-120.9-7.6-167.8-71.287.7000114.2Y28Y28-N32 HydrophobicContact CE1-CB 4.07Å; Y28-N32 HydrophobicContact CE2-CB 4.31Å; Y28-N32 WeakPolarHBondContact O-CB 3.35Å; Y28-N32 PolarHBondContact O-N 2.89Å
33G94.1Very high94.3Very high35 Ų3578.9 Ų78.936%0.36139%0.39SS..  trans70.2173.1-159.800000111.9I29I29-G33 WeakPolarHBondContact O-CA 3.47Å; I29-G33 PolarHBondContact O-N 2.89Å
34H90.7Very high94.2Very high91 Ų9173.5 Ų73.542%0.42137%0.368SS..  trans-75-29.2177.359.471.2000113.3I29 S36 W37 L40I29-H34 HydrophobicContact CD1-CB 4.46Å; I29-H34 HydrophobicContact CG1-CB 4.33Å; I29-H34 HydrophobicContact CG2-CB 4.48Å; H34-S36 PolarHBondContact O-N 2.96Å; H34-W37 HydrophobicContact CB-CH2 3.7Å; H34-W37 HydrophobicContact CB-CZ2 3.52Å; H34-W37 HydrophobicContact CB-CZ3 4.37Å; H34-W37 AromaticContact CG-CZ2 3.84Å; H34-L40 HydrophobicContact CB-CD1 4.3Å; H34-L40 WeakPolarHBondContact O-CD1 3.34Å
35G91Very high94Very high56 Ų5670.7 Ų70.758%0.57737%0.369SS*.  trans46.8-132.9-175.100000112.4
36S94Very high93.8Very high66 Ų6671.1 Ų71.146%0.46237%0.372SS..  trans-83.4116.1173.5-179.10000112H34 R38 T39 L40H34-S36 PolarHBondContact O-N 2.96Å; S36-R38 PolarHBondContact O-N 3.44Å; S36-R38 PolarHBondContact OG-N 2.83Å; S36-T39 PolarHBondContact O-N 3.22Å; S36-T39 VanDerWaalsContact O-N 3.09Å; S36-T39 PolarHBondContact O-OG1 3.06Å; S36-L40 PolarHBondContact O-N 3.29Å; S36-L40 VanDerWaalsContact O-N 3.07Å
37W94.6Very high93.7Very high40 Ų4073.5 Ų73.515%0.15239%0.385CS..THydrogen-bonded Turntrans-54.5-24.2174.1-67105.9000114.2I29 H34 L40 P41 G50 C53 R54 W57I29-W37 HydrophobicContact CD1-CH2 3.81Å; I29-W37 HydrophobicContact CD1-CZ3 4.04Å; H34-W37 HydrophobicContact CB-CH2 3.7Å; H34-W37 HydrophobicContact CB-CZ2 3.52Å; H34-W37 HydrophobicContact CB-CZ3 4.37Å; H34-W37 AromaticContact CG-CZ2 3.84Å; W37-L40 HydrophobicContact CE3-CD1 4.01Å; W37-L40 HydrophobicContact CZ3-CD1 3.8Å; W37-P41 WeakPolarHBondContact O-CD 3.45Å; W37-G50 WeakPolarHBondContact O-CA 3.4Å; W37-C53 HydrophobicContact CE3-CB 4.16Å; W37-C53 HydrophobicContact CZ3-CB 4.23Å; W37-R54 HydrophobicContact CB-CB 4.4Å; W37-R54 HydrophobicContact CD2-CB 3.53Å; W37-R54 HydrophobicContact CD2-CG 3.91Å; W37-R54 VanDerWaalsContact CE3-CA 3.47Å; W37-R54 HydrophobicContact CE3-CB 3.77Å; W37-R54 HydrophobicContact CG-CB 3.8Å; W37-R54 HydrophobicContact CG-CG 4.11Å; W37-R54 HydrophobicContact CZ2-CB 4.46Å; W37-R54 HydrophobicContact CZ2-CG 4.26Å; W37-R54 HydrophobicContact CZ3-CB 4.35Å; W37-W57 HydrophobicContact CH2-CB 3.5Å; W37-W57 AromaticContact CH2-CD1 3.57Å; W37-W57 AromaticContact CH2-CG 3.58Å; W37-W57 HydrophobicContact CH2-CG 3.58Å; W37-W57 HydrophobicContact CZ2-CB 4.38Å; W37-W57 AromaticContact CZ2-CD1 3.81Å; W37-W57 HydrophobicContact CZ2-CG 4.27Å; W37-W57 HydrophobicContact CZ3-CB 4.08Å
38R91.3Very high93.5Very high147 Ų14768.5 Ų68.556%0.55536%0.361SS*.THydrogen-bonded Turntrans-70.6-37.6178.2-67.3-175.4-177.8-1084.3112.7S4 S36S4-R38 PolarHBondContact O-NH1 2.91Å; S36-R38 PolarHBondContact O-N 3.44Å; S36-R38 PolarHBondContact OG-N 2.83Å
39T91.5Very high93.3Very high58 Ų5868 Ų6836%0.35636%0.362SS..THydrogen-bonded Turntrans-94.2-26-177.253.20000112.9S36 P41 R42 L43S36-T39 PolarHBondContact O-N 3.22Å; S36-T39 VanDerWaalsContact O-N 3.09Å; S36-T39 PolarHBondContact O-OG1 3.06Å; T39-P41 VanDerWaalsContact C-CD 3.43Å; T39-R42 PolarHBondContact O-N 3.07Å; T39-L43 WeakPolarHBondContact O-CG 3.49Å; T39-L43 PolarHBondContact O-N 2.83Å
40L94.2Very high93.1Very high1 Ų167.7 Ų67.71%0.00536%0.363CS..Hα-helixtrans-45.9-49-178.9-179.2152.6000114.5L25 Y28 I29 H34 S36 W37 R42 L43 A44 C53L25-L40 HydrophobicContact CD1-CD1 4.4Å; L25-L40 HydrophobicContact CD1-CD2 3.47Å; L25-L40 VanDerWaalsContact CD1-CD2 3.47Å; Y28-L40 HydrophobicContact CD1-CD1 3.87Å; Y28-L40 HydrophobicContact CD1-CG 3.74Å; Y28-L40 HydrophobicContact CE1-CB 4.37Å; Y28-L40 HydrophobicContact CE1-CD1 3.92Å; Y28-L40 HydrophobicContact CE1-CG 3.72Å; I29-L40 HydrophobicContact CD1-CD1 4.08Å; I29-L40 HydrophobicContact CG1-CD1 3.79Å; H34-L40 HydrophobicContact CB-CD1 4.3Å; H34-L40 WeakPolarHBondContact O-CD1 3.34Å; S36-L40 PolarHBondContact O-N 3.29Å; S36-L40 VanDerWaalsContact O-N 3.07Å; W37-L40 HydrophobicContact CE3-CD1 4.01Å; W37-L40 HydrophobicContact CZ3-CD1 3.8Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 2.82Å; L40-L43 PolarHBondContact O-N 3.33Å; L40-L43 VanDerWaalsContact O-N 3.15Å; L40-A44 HydrophobicContact CD2-CB 4.37Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 3.13Å; L40-C53 HydrophobicContact CD2-CB 3.95Å
41P92.7Very high92.9Very high7 Ų768.1 Ų68.15%0.04536%0.362CS..Hα-helixtrans-63-40.2-173.1-16.926.6000112.5W37 T39 A44 G45 L46 R48W37-P41 WeakPolarHBondContact O-CD 3.45Å; T39-P41 VanDerWaalsContact C-CD 3.43Å; P41-A44 PolarHBondContact O-N 3.5Å; P41-G45 PolarHBondContact O-N 3.15Å; P41-G45 VanDerWaalsContact O-N 3.11Å; P41-L46 HydrophobicContact CB-CB 4.35Å; P41-L46 PolarHBondContact O-N 3.34Å; P41-R48 WeakPolarHBondContact CB-O 3.5Å; P41-R48 WeakPolarHBondContact CG-O 3.37Å
42R91.6Very high92.8Very high201 Ų20162.1 Ų62.176%0.75834%0.34SS*.Hα-helixtrans-65.2-40.2177-173.6177.769.5-171.82.8111.7T39 L40T39-R42 PolarHBondContact O-N 3.07Å; L40-R42 VanDerWaalsContact C-N 3.33Å; L40-R42 PolarHBondContact O-N 2.82Å
43L93Very high92.9Very high98 Ų9857.5 Ų57.551%0.51332%0.315SS..Hα-helixtrans-75.3-29.9-179.4-63.3171.9000112.5Y28 T39 L40Y28-L43 HydrophobicContact CE2-CB 3.52Å; Y28-L43 WeakPolarHBondContact OH-CB 3.45Å; Y28-L43 WeakPolarHBondContact OH-CD1 3.47Å; T39-L43 WeakPolarHBondContact O-CG 3.49Å; T39-L43 PolarHBondContact O-N 2.83Å; L40-L43 PolarHBondContact O-N 3.33Å; L40-L43 VanDerWaalsContact O-N 3.15Å
44A93.9Very high93Very high16 Ų1662.8 Ų62.813%0.13232%0.324CS..Hα-helixtrans-85.5-5.7176.400000114.1Y28 L40 P41 L46Y28-A44 HydrophobicContact CD1-CB 4.22Å; Y28-A44 HydrophobicContact CD2-CB 3.75Å; Y28-A44 HydrophobicContact CG-CB 3.57Å; L40-A44 HydrophobicContact CD2-CB 4.37Å; L40-A44 VanDerWaalsContact O-CB 3.27Å; L40-A44 WeakPolarHBondContact O-CB 3.36Å; L40-A44 PolarHBondContact O-N 3.13Å; P41-A44 PolarHBondContact O-N 3.5Å; A44-L46 HydrophobicContact CB-CD1 3.67Å; A44-L46 WeakPolarHBondContact O-CD1 3.11Å
45G92.9Very high93.2Very high49 Ų4963.5 Ų63.551%0.50533%0.331SS..THydrogen-bonded Turntrans70.633-17700000114.1P41P41-G45 PolarHBondContact O-N 3.15Å; P41-G45 VanDerWaalsContact O-N 3.11Å
46L93.2Very high93.5Very high9 Ų963.1 Ų63.15%0.04731%0.312CS..  trans-102.9130.5175.7-85.876.5000111.8W17 K24 L25 P41 A44 R48W17-L46 HydrophobicContact CH2-CD2 3.54Å; W17-L46 HydrophobicContact CZ3-CD2 3.47Å; W17-L46 VanDerWaalsContact CZ3-CD2 3.47Å; K24-L46 HydrophobicContact CB-CD1 3.47Å; K24-L46 VanDerWaalsContact CB-CD1 3.47Å; K24-L46 HydrophobicContact CD-CD1 4.27Å; L25-L46 HydrophobicContact CB-CD2 4.13Å; P41-L46 HydrophobicContact CB-CB 4.35Å; P41-L46 PolarHBondContact O-N 3.34Å; A44-L46 HydrophobicContact CB-CD1 3.67Å; A44-L46 WeakPolarHBondContact O-CD1 3.11Å; L46-R48 HydrophobicContact CB-CB 4.43Å; L46-R48 HydrophobicContact CD2-CG 4.46Å; L46-R48 PolarHBondContact O-N 3.11Å
47N92.4Very high93.6Very high106 Ų10661.3 Ų61.357%0.56730%0.295SS*.SBendtrans-83.148.6171.6-65.5-19.8000111.6K13K13-N47 PolarHBondContact N-O 3.44Å
48R92.6Very high93.7Very high13 Ų1361.4 Ų61.45%0.04930%0.3CS..SBendtrans-128.9156-178.5-61.8-61.4-172.9142.811.9110K13 G15 P16 W17 E21 P41 L46K13-R48 VanDerWaalsContact O-CD 3.25Å; K13-R48 WeakPolarHBondContact O-CD 3.28Å; K13-R48 PolarHBondContact O-NH1 3.28Å; G15-R48 PolarHBondContact O-NH1 2.7Å; P16-R48 PolarHBondContact O-NH2 3.23Å; W17-R48 HydrophobicContact CH2-CB 4.35Å; W17-R48 HydrophobicContact CH2-CG 4.1Å; W17-R48 HydrophobicContact CZ2-CB 4.34Å; W17-R48 HydrophobicContact CZ2-CG 4.13Å; E21-R48 IonicContact OE1-CZ 2.62Å; E21-R48 IonicContact OE1-NE 3.45Å; E21-R48 PolarHBondContact OE1-NE 3.49Å; E21-R48 IonicContact OE1-NH2 2.67Å; E21-R48 PolarHBondContact OE1-NH2 2.78Å; E21-R48 IonicContact OE2-CZ 3.6Å; E21-R48 IonicContact OE2-NE 2.82Å; E21-R48 IonicContact OE2-NH2 3.27Å; E21-R48 PolarHBondContact OE2-NH2 2.97Å; P41-R48 WeakPolarHBondContact CB-O 3.5Å; P41-R48 WeakPolarHBondContact CG-O 3.37Å; L46-R48 HydrophobicContact CB-CB 4.43Å; L46-R48 HydrophobicContact CD2-CG 4.46Å; L46-R48 PolarHBondContact O-N 3.11Å
49C92Very high93.9Very high26 Ų2654.9 Ų54.918%0.17628%0.276CS..  trans-80.5156.5174.770.30000112.2C7 L12 K51 S52 C53C7-C49 HydrophobicContact CB-CB 4.23Å; C7-C49 WeakPolarHBondContact SG-CB 3.48Å; C7-C49 PolarHBondContact SG-SG 3.12Å; L12-C49 HydrophobicContact CD1-CB 3.98Å; C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 2.85Å; C49-S52 WeakPolarHBondContact O-CB 3.49Å; C49-S52 PolarHBondContact O-N 3.48Å; C49-S52 PolarHBondContact SG-N 2.76Å; C49-S52 VanDerWaalsContact SG-N 3.44Å; C49-C53 PolarHBondContact O-N 3.28Å; C49-C53 VanDerWaalsContact O-N 3.12Å
50G92.8Very high94.1Very high7 Ų757.6 Ų57.67%0.07228%0.281CS..Hα-helixtrans-57.7-35.3-179.600000114.8W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.4Å; G50-S52 VanDerWaalsContact C-N 3.34Å; G50-C53 PolarHBondContact O-N 2.85Å; G50-R54 PolarHBondContact O-N 3.35Å
51K92.1Very high94.1Very high151 Ų15159.2 Ų59.266%0.65729%0.289SS*.Hα-helixtrans-62.9-40.6174.5-175.3180178.6-177.30111.7C49 L55C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 2.85Å; K51-L55 WeakPolarHBondContact O-CB 3.32Å; K51-L55 PolarHBondContact O-N 3.12Å
52S94.1Very high94.2Very high30 Ų3063 Ų6321%0.2130%0.303CS..Hα-helixtrans-65.1-46.8176.9-167.20000110.7W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.27Å; W17-S52 PolarHBondContact NE1-OG 3.19Å; C49-S52 WeakPolarHBondContact O-CB 3.49Å; C49-S52 PolarHBondContact O-N 3.48Å; C49-S52 PolarHBondContact SG-N 2.76Å; C49-S52 VanDerWaalsContact SG-N 3.44Å; G50-S52 VanDerWaalsContact C-N 3.34Å; S52-R54 PolarHBondContact O-N 3.42Å; S52-L55 PolarHBondContact O-N 3.16Å; S52-R56 WeakPolarHBondContact O-CB 3.49Å; S52-R56 PolarHBondContact O-N 3.38Å
53C95.8Very high94.3Very high0 Ų059.2 Ų59.20%030%0.304CS..Hα-helixtrans-61.7-43.5178.4-59.40000112.3W17 L25 W37 L40 C49 G50 R56 W57W17-C53 HydrophobicContact CH2-CB 4.4Å; L25-C53 HydrophobicContact CD1-CB 4.05Å; L25-C53 HydrophobicContact CD2-CB 4.34Å; W37-C53 HydrophobicContact CE3-CB 4.16Å; W37-C53 HydrophobicContact CZ3-CB 4.23Å; L40-C53 HydrophobicContact CD2-CB 3.95Å; C49-C53 PolarHBondContact O-N 3.28Å; C49-C53 VanDerWaalsContact O-N 3.12Å; G50-C53 PolarHBondContact O-N 2.85Å; C53-R56 PolarHBondContact O-N 3.38Å; C53-W57 WeakPolarHBondContact O-CB 3.28Å; C53-W57 PolarHBondContact O-N 3.15Å
54R96.5Very high94.3Very high147 Ų14758.2 Ų58.256%0.55530%0.299SS*.Hα-helixtrans-57.7-51.5174.3-175.4176.5176.3-178.7-0.4110.9W37 G50 S52 R56 W57 T58W37-R54 HydrophobicContact CB-CB 4.4Å; W37-R54 HydrophobicContact CD2-CB 3.53Å; W37-R54 HydrophobicContact CD2-CG 3.91Å; W37-R54 VanDerWaalsContact CE3-CA 3.47Å; W37-R54 HydrophobicContact CE3-CB 3.77Å; W37-R54 HydrophobicContact CG-CB 3.8Å; W37-R54 HydrophobicContact CG-CG 4.11Å; W37-R54 HydrophobicContact CZ2-CB 4.46Å; W37-R54 HydrophobicContact CZ2-CG 4.26Å; W37-R54 HydrophobicContact CZ3-CB 4.35Å; G50-R54 PolarHBondContact O-N 3.35Å; S52-R54 PolarHBondContact O-N 3.42Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 3.29Å; R54-W57 PolarHBondContact O-N 3.17Å; R54-T58 HydrophobicContact CG-CG2 4.28Å; R54-T58 WeakPolarHBondContact O-CG2 3.21Å; R54-T58 PolarHBondContact O-N 3.34Å; R54-T58 PolarHBondContact O-OG1 3.07Å; R54-T58 VanDerWaalsContact O-OG1 3.14Å
55L95.2Very high94.3Very high105 Ų10558 Ų5855%0.5530%0.296SS..Hα-helixtrans-62.8-37.7-177.7-171.574.8000112.3K51 S52 N59K51-L55 WeakPolarHBondContact O-CB 3.32Å; K51-L55 PolarHBondContact O-N 3.12Å; S52-L55 PolarHBondContact O-N 3.16Å; L55-N59 VanDerWaalsContact CD1-ND2 3.29Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.47Å; L55-N59 WeakPolarHBondContact O-CB 3.46Å; L55-N59 PolarHBondContact O-N 2.96Å; L55-N59 PolarHBondContact O-ND2 3.06Å
56R97.1Very high94.4Very high49 Ų4960.5 Ų60.519%0.18529%0.292CS..Hα-helixtrans-67.3-47.2176.4-172.762.7173.7170.3-6.3111W17 D22 L25 S52 C53 R54 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.04Å; W17-R56 HydrophobicContact CD2-CG 3.58Å; W17-R56 HydrophobicContact CE3-CB 4.45Å; W17-R56 HydrophobicContact CE3-CG 3.81Å; W17-R56 HydrophobicContact CG-CG 3.97Å; W17-R56 HydrophobicContact CH2-CB 4.16Å; W17-R56 HydrophobicContact CH2-CG 4.34Å; W17-R56 HydrophobicContact CZ2-CB 3.71Å; W17-R56 HydrophobicContact CZ2-CG 4.14Å; W17-R56 HydrophobicContact CZ3-CB 4.49Å; W17-R56 HydrophobicContact CZ3-CG 4.17Å; D22-R56 WeakPolarHBondContact OD1-CG 3.42Å; D22-R56 IonicContact OD1-CZ 2.78Å; D22-R56 IonicContact OD1-NE 3.44Å; D22-R56 PolarHBondContact OD1-NE 3.49Å; D22-R56 IonicContact OD1-NH2 2.67Å; D22-R56 IonicContact OD2-CZ 3.27Å; D22-R56 IonicContact OD2-NE 3.53Å; D22-R56 PolarHBondContact OD2-NE 3.32Å; D22-R56 IonicContact OD2-NH2 3.51Å; D22-R56 PolarHBondContact OD2-NH2 2.85Å; L25-R56 HydrophobicContact CD2-CB 4.07Å; L25-R56 HydrophobicContact CD2-CG 4.12Å; S52-R56 WeakPolarHBondContact O-CB 3.49Å; S52-R56 PolarHBondContact O-N 3.38Å; C53-R56 PolarHBondContact O-N 3.38Å; R54-R56 VanDerWaalsContact C-N 3.32Å; R54-R56 PolarHBondContact O-N 3.29Å; R56-Y60 WeakPolarHBondContact O-CA 3.34Å; R56-Y60 WeakPolarHBondContact O-CB 3.13Å; R56-Y60 PolarHBondContact O-N 3.5Å; R56-L61 HydrophobicContact CG-CD1 3.93Å; R56-L61 HydrophobicContact CG-CG 4.14Å; R56-L61 PolarHBondContact O-N 2.95Å
57W97Very high94.3Very high28 Ų2866.4 Ų66.411%0.10631%0.314CS..Iπ-helixtrans-57.8-58.3176.9179.9-107.5000112.1L26 I29 W37 C53 R54 N59 L61 R62L26-W57 HydrophobicContact CD1-CH2 4.15Å; L26-W57 HydrophobicContact CD1-CZ3 3.72Å; I29-W57 HydrophobicContact CB-CH2 4.29Å; I29-W57 HydrophobicContact CB-CZ3 4.22Å; I29-W57 HydrophobicContact CD1-CB 4.3Å; I29-W57 HydrophobicContact CD1-CD2 3.55Å; I29-W57 HydrophobicContact CD1-CE3 3.45Å; I29-W57 VanDerWaalsContact CD1-CE3 3.45Å; I29-W57 HydrophobicContact CD1-CG 3.93Å; I29-W57 HydrophobicContact CD1-CZ3 4Å; I29-W57 HydrophobicContact CG2-CD2 4.42Å; I29-W57 HydrophobicContact CG2-CE3 4.4Å; I29-W57 HydrophobicContact CG2-CH2 3.65Å; I29-W57 HydrophobicContact CG2-CZ2 3.64Å; I29-W57 HydrophobicContact CG2-CZ3 4.03Å; W37-W57 HydrophobicContact CH2-CB 3.5Å; W37-W57 AromaticContact CH2-CD1 3.57Å; W37-W57 AromaticContact CH2-CG 3.58Å; W37-W57 HydrophobicContact CH2-CG 3.58Å; W37-W57 HydrophobicContact CZ2-CB 4.38Å; W37-W57 AromaticContact CZ2-CD1 3.81Å; W37-W57 HydrophobicContact CZ2-CG 4.27Å; W37-W57 HydrophobicContact CZ3-CB 4.08Å; C53-W57 WeakPolarHBondContact O-CB 3.28Å; C53-W57 PolarHBondContact O-N 3.15Å; R54-W57 PolarHBondContact O-N 3.17Å; W57-N59 VanDerWaalsContact C-N 3.26Å; W57-N59 PolarHBondContact O-N 2.92Å; W57-L61 HydrophobicContact CE3-CB 3.72Å; W57-L61 HydrophobicContact CZ3-CB 4.06Å; W57-L61 PolarHBondContact O-N 2.93Å; W57-R62 HydrophobicContact CZ2-CB 4.35Å; W57-R62 HydrophobicContact CZ2-CG 4Å; W57-R62 WeakPolarHBondContact O-CB 3.25Å; W57-R62 PolarHBondContact O-N 3.19Å
58T95.4Very high94.3Very high41 Ų4164.2 Ų64.225%0.25232%0.316SS..Iπ-helixtrans-68.5-20.4-170.159.60000114.6R54 I65 T100R54-T58 HydrophobicContact CG-CG2 4.28Å; R54-T58 WeakPolarHBondContact O-CG2 3.21Å; R54-T58 PolarHBondContact O-N 3.34Å; R54-T58 PolarHBondContact O-OG1 3.07Å; R54-T58 VanDerWaalsContact O-OG1 3.14Å; T58-I65 WeakPolarHBondContact O-CD1 3.44Å; T58-T100 WeakPolarHBondContact O-CG2 3.37Å
59N95.9Very high94.4Very high10 Ų1073.1 Ų73.15%0.05336%0.355CS..Iπ-helixtrans-106.2-30.7-179.7-65.2-60.1000113.8L55 W57 I65 R67 N102L55-N59 VanDerWaalsContact CD1-ND2 3.29Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.47Å; L55-N59 WeakPolarHBondContact O-CB 3.46Å; L55-N59 PolarHBondContact O-N 2.96Å; L55-N59 PolarHBondContact O-ND2 3.06Å; W57-N59 VanDerWaalsContact C-N 3.26Å; W57-N59 PolarHBondContact O-N 2.92Å; N59-I65 VanDerWaalsContact C-CD1 3.48Å; N59-I65 WeakPolarHBondContact O-CD1 3.31Å; N59-R67 PolarHBondContact O-NH1 3.42Å; N59-R67 PolarHBondContact O-NH2 2.98Å; N59-N102 WeakPolarHBondContact OD1-CB 3.43Å
60Y95.3Very high94.6Very high116 Ų11673.6 Ų73.646%0.45535%0.354SS..Iπ-helixtrans-121.6-39-167.3-61-79.8000114.6R56 R67R56-Y60 WeakPolarHBondContact O-CA 3.34Å; R56-Y60 WeakPolarHBondContact O-CB 3.13Å; R56-Y60 PolarHBondContact O-N 3.5Å; Y60-R67 VanDerWaalsContact C-NH2 3.28Å; Y60-R67 PolarHBondContact O-NH2 2.93Å
61L95.6Very high94.8Very high35 Ų3575.4 Ų75.418%0.18337%0.366CS..Iπ-helixtrans-107.1-15.5-169.1-54.1-179.8000115.6D22 L25 R56 W57D22-L61 HydrophobicContact CB-CD1 3.94Å; D22-L61 HydrophobicContact CB-CD2 3.86Å; L25-L61 HydrophobicContact CB-CD1 4.26Å; L25-L61 HydrophobicContact CD2-CD1 3.71Å; L25-L61 HydrophobicContact CG-CD1 4.04Å; R56-L61 HydrophobicContact CG-CD1 3.93Å; R56-L61 HydrophobicContact CG-CG 4.14Å; R56-L61 PolarHBondContact O-N 2.95Å; W57-L61 HydrophobicContact CE3-CB 3.72Å; W57-L61 HydrophobicContact CZ3-CB 4.06Å; W57-L61 PolarHBondContact O-N 2.93Å
62R94.3Very high94.9Very high87 Ų8774 Ų7433%0.32836%0.362SS..  trans-63.2129.6179.1-155.517966176.46109.4W57 D64 I65W57-R62 HydrophobicContact CZ2-CB 4.35Å; W57-R62 HydrophobicContact CZ2-CG 4Å; W57-R62 WeakPolarHBondContact O-CB 3.25Å; W57-R62 PolarHBondContact O-N 3.19Å; R62-D64 VanDerWaalsContact C-N 3.25Å; R62-D64 WeakPolarHBondContact CB-OD1 3.3Å; R62-D64 WeakPolarHBondContact CD-OD1 3.49Å; R62-D64 WeakPolarHBondContact CG-OD1 3.3Å; R62-D64 IonicContact CZ-OD1 3.46Å; R62-D64 IonicContact CZ-OD2 3.07Å; R62-D64 VanDerWaalsContact NE-CG 3.26Å; R62-D64 IonicContact NE-OD1 2.68Å; R62-D64 PolarHBondContact NE-OD1 2.85Å; R62-D64 IonicContact NE-OD2 3.06Å; R62-D64 PolarHBondContact NE-OD2 2.99Å; R62-D64 IonicContact NH2-OD1 3.43Å; R62-D64 PolarHBondContact NH2-OD1 3.12Å; R62-D64 IonicContact NH2-OD2 2.7Å; R62-D64 PolarHBondContact NH2-OD2 2.79Å; R62-D64 PolarHBondContact O-N 2.6Å; R62-I65 HydrophobicContact CB-CD1 3.74Å; R62-I65 HydrophobicContact CB-CG1 4.03Å; R62-I65 WeakPolarHBondContact O-CG1 3.24Å; R62-I65 PolarHBondContact O-N 2.89Å
63P93Very high95.1Very high120 Ų12078.8 Ų78.878%0.77938%0.381SS*.THydrogen-bonded Turntrans-73.4-11.4-166.328.1-37.1000115.1
64D92.9Very high95.1Very high77 Ų7779.8 Ų79.841%0.41239%0.385SS..THydrogen-bonded Turntrans-84.5-7.3176.966.6-27.8000113.4R62 K66 G98R62-D64 VanDerWaalsContact C-N 3.25Å; R62-D64 WeakPolarHBondContact CB-OD1 3.3Å; R62-D64 WeakPolarHBondContact CD-OD1 3.49Å; R62-D64 WeakPolarHBondContact CG-OD1 3.3Å; R62-D64 IonicContact CZ-OD1 3.46Å; R62-D64 IonicContact CZ-OD2 3.07Å; R62-D64 VanDerWaalsContact NE-CG 3.26Å; R62-D64 IonicContact NE-OD1 2.68Å; R62-D64 PolarHBondContact NE-OD1 2.85Å; R62-D64 IonicContact NE-OD2 3.06Å; R62-D64 PolarHBondContact NE-OD2 2.99Å; R62-D64 IonicContact NH2-OD1 3.43Å; R62-D64 PolarHBondContact NH2-OD1 3.12Å; R62-D64 IonicContact NH2-OD2 2.7Å; R62-D64 PolarHBondContact NH2-OD2 2.79Å; R62-D64 PolarHBondContact O-N 2.6Å; D64-K66 PolarHBondContact O-N 3.39Å; D64-G98 WeakPolarHBondContact O-CA 3.47Å
65I94.8Very high95.1Very high13 Ų1373.8 Ų73.87%0.06736%0.364CS..  trans-80.5115.7-176.6-50.6168.3000110.2T58 N59 R62 R67 G98 T100T58-I65 WeakPolarHBondContact O-CD1 3.44Å; N59-I65 VanDerWaalsContact C-CD1 3.48Å; N59-I65 WeakPolarHBondContact O-CD1 3.31Å; R62-I65 HydrophobicContact CB-CD1 3.74Å; R62-I65 HydrophobicContact CB-CG1 4.03Å; R62-I65 WeakPolarHBondContact O-CG1 3.24Å; R62-I65 PolarHBondContact O-N 2.89Å; I65-R67 VanDerWaalsContact CG2-CZ 3.42Å; I65-G98 CarbonylContact C-O 3.6Å; I65-G98 WeakPolarHBondContact CA-O 3.15Å; I65-T100 HydrophobicContact CD1-CG2 3.85Å; I65-T100 HydrophobicContact CG1-CG2 4Å; I65-T100 HydrophobicContact CG2-CG2 3.86Å
66K94Very high95.1Very high101 Ų10173.5 Ų73.544%0.43936%0.359SS..  trans-70.4129.2178.5-69.4170.4176.2164.40110.8D64 P97 G98D64-K66 PolarHBondContact O-N 3.39Å; K66-P97 VanDerWaalsContact CE-O 3.27Å; K66-P97 WeakPolarHBondContact CE-O 3.15Å; K66-P97 PolarHBondContact NZ-O 3.27Å; K66-G98 PolarHBondContact N-O 2.89Å
67R92.4Very high95.1Very high133 Ų13373.5 Ų73.550%0.50237%0.365SS..  trans-102.2126.6174-56.4-57.2172-158.2-3.1110.1N59 Y60 I65 E103N59-R67 PolarHBondContact O-NH1 3.42Å; N59-R67 PolarHBondContact O-NH2 2.98Å; Y60-R67 VanDerWaalsContact C-NH2 3.28Å; Y60-R67 PolarHBondContact O-NH2 2.93Å; I65-R67 VanDerWaalsContact CG2-CZ 3.42Å; R67-E103 IonicContact CZ-OE1 2.69Å; R67-E103 IonicContact NH1-OE1 3.47Å; R67-E103 PolarHBondContact NH1-OE1 3Å
68G92.7Very high95.1Very high59 Ų5972.2 Ų72.261%0.60836%0.36SS*.SBendtrans140.7178.5-179.700000113.2R99G68-R99 PolarHBondContact O-NH1 2.91Å
69K94.4Very high95.1Very high200 Ų20071.5 Ų71.587%0.8736%0.355SS*.PPolyproline II helixtrans-56.3154.1174.5-61.5-177.2178.8-175.80110.9R99K69-R99 PolarHBondContact O-NH2 3.07Å
70F96Very high95.1Very high37 Ų3776.8 Ų76.816%0.16238%0.379CS..PPolyproline II helixtrans-71.1144.1168-76.2-96.5000109.9E74 I78 R99 E103 I104 F107F70-E74 WeakPolarHBondContact CA-OE2 3.47Å; F70-E74 HydrophobicContact CD1-CB 4.02Å; F70-I78 HydrophobicContact CD1-CD1 3.75Å; F70-I78 HydrophobicContact CE1-CD1 3.66Å; F70-I78 HydrophobicContact CZ-CD1 4.5Å; F70-R99 HydrophobicContact CE1-CB 4.4Å; F70-R99 HydrophobicContact CE1-CG 3.87Å; F70-E103 HydrophobicContact CZ-CB 4.04Å; F70-I104 HydrophobicContact CE1-CG1 4.25Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; F70-F107 HydrophobicContact CB-CD1 4.48Å; F70-F107 HydrophobicContact CB-CD2 4.46Å; F70-F107 HydrophobicContact CB-CE1 4.03Å; F70-F107 HydrophobicContact CB-CE2 4.05Å; F70-F107 HydrophobicContact CB-CZ 3.82Å; F70-F107 HydrophobicContact CD1-CD1 4.35Å; F70-F107 HydrophobicContact CD2-CB 3.94Å; F70-F107 AromaticContact CD2-CD1 3.96Å; F70-F107 HydrophobicContact CD2-CD1 3.96Å; F70-F107 AromaticContact CD2-CD2 3.44Å; F70-F107 HydrophobicContact CD2-CD2 3.44Å; F70-F107 VanDerWaalsContact CD2-CD2 3.44Å; F70-F107 HydrophobicContact CD2-CE1 4.32Å; F70-F107 AromaticContact CD2-CE2 3.89Å; F70-F107 HydrophobicContact CD2-CE2 3.89Å; F70-F107 AromaticContact CD2-CG 3.51Å; F70-F107 HydrophobicContact CD2-CG 3.51Å; F70-F107 HydrophobicContact CD2-CZ 4.3Å; F70-F107 HydrophobicContact CE2-CB 3.53Å; F70-F107 HydrophobicContact CE2-CD1 4.28Å; F70-F107 AromaticContact CE2-CD2 3.95Å; F70-F107 HydrophobicContact CE2-CD2 3.95Å; F70-F107 AromaticContact CE2-CG 3.68Å; F70-F107 HydrophobicContact CE2-CG 3.68Å; F70-F107 AromaticContact CG-CD1 4Å; F70-F107 HydrophobicContact CG-CD1 4Å; F70-F107 HydrophobicContact CG-CD2 4.12Å; F70-F107 HydrophobicContact CG-CE1 4.05Å; F70-F107 HydrophobicContact CG-CE2 4.21Å; F70-F107 HydrophobicContact CG-CG 4.04Å; F70-F107 HydrophobicContact CG-CZ 4.17Å; F70-F107 HydrophobicContact CZ-CB 4.01Å; F70-F107 HydrophobicContact CZ-CG 4.31Å
71S96.1Very high95.1Very high44 Ų4472.2 Ų72.231%0.30836%0.362SS..PPolyproline II helixtrans-79.7165.717085.50000111.1E73 E74 E75S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.39Å; S71-E73 PolarHBondContact O-N 2.77Å; S71-E73 PolarHBondContact OG-OE2 2.88Å; S71-E74 PolarHBondContact N-OE2 3.31Å; S71-E74 PolarHBondContact O-N 3.2Å; S71-E74 WeakPolarHBondContact OG-CG 3.23Å; S71-E74 PolarHBondContact OG-N 2.91Å; S71-E75 PolarHBondContact O-N 2.97Å
72Q95.4Very high95.2Very high123 Ų12370.7 Ų70.758%0.57535%0.354SS*.Hα-helixtrans-64.2-37179.4-166-179.824.400111.4E75 Q76Q72-E75 PolarHBondContact O-N 2.9Å; Q72-Q76 WeakPolarHBondContact O-CG 3.24Å; Q72-Q76 PolarHBondContact O-N 1.99Å
73E96.6Very high95.1Very high129 Ų12969.3 Ų69.360%0.60336%0.358SS*.Hα-helixtrans-68.6-40.2176.8-47.781.517700111.6S71 T77S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.39Å; S71-E73 PolarHBondContact O-N 2.77Å; S71-E73 PolarHBondContact OG-OE2 2.88Å; E73-T77 WeakPolarHBondContact O-CB 3.35Å; E73-T77 PolarHBondContact O-N 2.74Å; E73-T77 PolarHBondContact O-OG1 3.03Å
74E96.9Very high95.2Very high21 Ų2168.3 Ų68.310%0.09835%0.349CS..Hα-helixtrans-62.9-42.5172.2-68.2178.5134.600110.8F70 S71 T77 I78 L96 R99F70-E74 WeakPolarHBondContact CA-OE2 3.47Å; F70-E74 HydrophobicContact CD1-CB 4.02Å; S71-E74 PolarHBondContact N-OE2 3.31Å; S71-E74 PolarHBondContact O-N 3.2Å; S71-E74 WeakPolarHBondContact OG-CG 3.23Å; S71-E74 PolarHBondContact OG-N 2.91Å; E74-T77 PolarHBondContact O-N 2.62Å; E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.5Å; E74-I78 PolarHBondContact O-N 2.86Å; E74-L96 HydrophobicContact CB-CD2 3.97Å; E74-L96 HydrophobicContact CG-CD2 3.99Å; E74-R99 WeakPolarHBondContact OE1-CG 3.19Å; E74-R99 IonicContact OE1-CZ 2.66Å; E74-R99 IonicContact OE1-NE 3.42Å; E74-R99 PolarHBondContact OE1-NE 3.27Å; E74-R99 IonicContact OE1-NH2 4Å; E74-R99 PolarHBondContact OE1-NH2 3.19Å; E74-R99 IonicContact OE2-CZ 3.58Å; E74-R99 IonicContact OE2-NE 3.57Å; E74-R99 PolarHBondContact OE2-NE 2.78Å; E74-R99 IonicContact OE2-NH2 2.75Å; E74-R99 PolarHBondContact OE2-NH2 2.84Å
75E96.2Very high95.3Very high22 Ų2267.5 Ų67.510%0.10335%0.345CS..Hα-helixtrans-60.7-51.5175.7170.816716900112.1S71 Q72 T77 I78 L79 F107 L112 R115S71-E75 PolarHBondContact O-N 2.97Å; Q72-E75 PolarHBondContact O-N 2.9Å; E75-T77 PolarHBondContact O-N 3.47Å; E75-I78 WeakPolarHBondContact O-CB 3.39Å; E75-I78 PolarHBondContact O-N 3.31Å; E75-L79 HydrophobicContact CG-CD1 4.04Å; E75-L79 HydrophobicContact CG-CG 4.31Å; E75-L79 WeakPolarHBondContact O-CG 3.14Å; E75-L79 PolarHBondContact O-N 3.31Å; E75-F107 HydrophobicContact CB-CE1 4.15Å; E75-F107 HydrophobicContact CB-CZ 4.44Å; E75-F107 HydrophobicContact CG-CE1 4.27Å; E75-L112 HydrophobicContact CG-CD2 3.59Å; E75-L112 WeakPolarHBondContact OE1-CD2 3.46Å; E75-R115 IonicContact OE1-CZ 4Å; E75-R115 IonicContact OE1-NE 3.54Å; E75-R115 IonicContact OE1-NH1 3.6Å; E75-R115 PolarHBondContact OE1-NH1 3.08Å; E75-R115 IonicContact OE2-CZ 2.7Å; E75-R115 IonicContact OE2-NH1 3.74Å; E75-R115 PolarHBondContact OE2-NH1 3.13Å
76Q95.8Very high95.3Very high98 Ų9868 Ų6846%0.45835%0.353SS..Hα-helixtrans-58.6-38.4179.2-70.7-64.1-16.500111.4Q72 L79 H80Q72-Q76 WeakPolarHBondContact O-CG 3.24Å; Q72-Q76 PolarHBondContact O-N 1.99Å; Q76-L79 PolarHBondContact O-N 3.04Å; Q76-H80 WeakPolarHBondContact O-CB 3.38Å; Q76-H80 PolarHBondContact O-N 3.48Å
77T97.1Very high95.3Very high50 Ų5067.5 Ų67.531%0.30736%0.355SS..Hα-helixtrans-63.2-42.7174.4-58.20000111.9E73 E74 E75 L81 H95 L96E73-T77 WeakPolarHBondContact O-CB 3.35Å; E73-T77 PolarHBondContact O-N 2.74Å; E73-T77 PolarHBondContact O-OG1 3.03Å; E74-T77 PolarHBondContact O-N 2.62Å; E75-T77 PolarHBondContact O-N 3.47Å; T77-L81 HydrophobicContact CG2-CD1 3.72Å; T77-L81 HydrophobicContact CG2-CG 4.37Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.18Å; T77-L81 PolarHBondContact O-N 2.98Å; T77-H95 HydrophobicContact CG2-CB 4.44Å; T77-L96 HydrophobicContact CG2-CD2 3.85Å; T77-L96 HydrophobicContact CG2-CG 4.18Å
78I97Very high95.5Very high0 Ų067.3 Ų67.30%036%0.358CS..Hα-helixtrans-63.9-44.1175.8-65.5164.6000110.8F70 E74 E75 H82 L96 I104 F107 L112F70-I78 HydrophobicContact CD1-CD1 3.75Å; F70-I78 HydrophobicContact CE1-CD1 3.66Å; F70-I78 HydrophobicContact CZ-CD1 4.5Å; E74-I78 VanDerWaalsContact O-CG1 3.26Å; E74-I78 WeakPolarHBondContact O-CG1 3.5Å; E74-I78 PolarHBondContact O-N 2.86Å; E75-I78 WeakPolarHBondContact O-CB 3.39Å; E75-I78 PolarHBondContact O-N 3.31Å; I78-H82 WeakPolarHBondContact O-CB 3.15Å; I78-H82 PolarHBondContact O-N 2.9Å; I78-L96 HydrophobicContact CD1-CD1 4.08Å; I78-L96 HydrophobicContact CG1-CD1 3.46Å; I78-L96 VanDerWaalsContact CG1-CD1 3.46Å; I78-I104 HydrophobicContact CD1-CG1 4.3Å; I78-I104 HydrophobicContact CD1-CG2 4.07Å; I78-I104 HydrophobicContact CG1-CG2 3.97Å; I78-I104 HydrophobicContact CG2-CG2 3.96Å; I78-F107 HydrophobicContact CD1-CD1 3.84Å; I78-F107 HydrophobicContact CD1-CE1 4.26Å; I78-L112 HydrophobicContact CB-CD1 4.1Å; I78-L112 HydrophobicContact CG2-CD1 3.52Å
79L94.9Very high95.8Very high27 Ų2766.2 Ų66.214%0.14134%0.335CS..Hα-helixtrans-60.6-53.1178.8-69.9176000111.1E75 Q76 H82 S83 W108 L112 L116 H126E75-L79 HydrophobicContact CG-CD1 4.04Å; E75-L79 HydrophobicContact CG-CG 4.31Å; E75-L79 WeakPolarHBondContact O-CG 3.14Å; E75-L79 PolarHBondContact O-N 3.31Å; Q76-L79 PolarHBondContact O-N 3.04Å; L79-H82 PolarHBondContact O-N 3.37Å; L79-S83 PolarHBondContact O-N 3.37Å; L79-W108 HydrophobicContact CD2-CZ3 4.15Å; L79-L112 HydrophobicContact CD2-CB 4.23Å; L79-L112 HydrophobicContact CD2-CD1 4.06Å; L79-L112 HydrophobicContact CD2-CD2 4.29Å; L79-L112 HydrophobicContact CD2-CG 4.43Å; L79-L112 HydrophobicContact CG-CD1 4.44Å; L79-L116 HydrophobicContact CD2-CD1 3.6Å; L79-H126 PolarHBondContact O-CE1 2.94Å; L79-H126 VanDerWaalsContact O-CE1 3.31Å
80H95.2Very high95.9Very high121 Ų12160.5 Ų60.556%0.5632%0.321SS*.Hα-helixtrans-58.1-53179.1178.770.1000111.7Q76 H82 S83 V84Q76-H80 WeakPolarHBondContact O-CB 3.38Å; Q76-H80 PolarHBondContact O-N 3.48Å; H80-H82 VanDerWaalsContact C-N 3.33Å; H80-H82 PolarHBondContact O-N 3.21Å; H80-S83 PolarHBondContact O-N 2.67Å; H80-S83 PolarHBondContact O-OG 3.3Å; H80-V84 PolarHBondContact O-N 2.76Å
81L96.7Very high95.9Very high20 Ų2060.7 Ų60.711%0.10533%0.329CS..Hα-helixtrans-67-33.1-177.8-67.6174.2000112.5T77 V84 L85 I92 H95T77-L81 HydrophobicContact CG2-CD1 3.72Å; T77-L81 HydrophobicContact CG2-CG 4.37Å; T77-L81 WeakPolarHBondContact O-CB 3.4Å; T77-L81 VanDerWaalsContact O-CG 3.28Å; T77-L81 WeakPolarHBondContact O-CG 3.18Å; T77-L81 PolarHBondContact O-N 2.98Å; L81-V84 PolarHBondContact O-N 3.39Å; L81-L85 HydrophobicContact CD2-CD1 4.48Å; L81-L85 VanDerWaalsContact O-CB 3.25Å; L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.19Å; L81-I92 HydrophobicContact CB-CD1 4.5Å; L81-I92 HydrophobicContact CB-CG1 4.08Å; L81-I92 HydrophobicContact CB-CG2 4.17Å; L81-I92 HydrophobicContact CD1-CG2 4.07Å; L81-H95 HydrophobicContact CD1-CB 3.56Å
82H96.5Very high96Very high3 Ų358.6 Ų58.61%0.01432%0.315CS..Hα-helixtrans-66.5-39.3173.5-174.8-79.4000111.8I78 L79 H80 V84 G86 N87 W89 I92 W108 P123 M124 H126I78-H82 WeakPolarHBondContact O-CB 3.15Å; I78-H82 PolarHBondContact O-N 2.9Å; L79-H82 PolarHBondContact O-N 3.37Å; H80-H82 VanDerWaalsContact C-N 3.33Å; H80-H82 PolarHBondContact O-N 3.21Å; H82-V84 PolarHBondContact O-N 3.44Å; H82-G86 PolarHBondContact CD2-O 2.97Å; H82-G86 WeakPolarHBondContact O-CA 3.25Å; H82-G86 PolarHBondContact O-N 3.01Å; H82-N87 PolarHBondContact NE2-OD1 3.4Å; H82-W89 AromaticContact CD2-CH2 3.5Å; H82-W89 AromaticContact CD2-CZ3 3.85Å; H82-W89 AromaticContact NE2-CH2 3.6Å; H82-W89 AromaticContact NE2-CZ2 3.91Å; H82-I92 HydrophobicContact CB-CD1 4.31Å; H82-W108 HydrophobicContact CB-CE3 4.43Å; H82-W108 HydrophobicContact CB-CZ3 4.11Å; H82-W108 AromaticContact CE1-CH2 3.83Å; H82-W108 AromaticContact CE1-CZ2 3.44Å; H82-W108 VanDerWaalsContact CE1-CZ2 3.44Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.47Å; H82-W108 AromaticContact CG-CH2 3.82Å; H82-W108 AromaticContact CG-CZ3 3.75Å; H82-W108 AromaticContact ND1-CH2 3.39Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.39Å; H82-W108 AromaticContact ND1-CZ2 3.7Å; H82-W108 AromaticContact ND1-CZ3 3.81Å; H82-W108 AromaticContact NE2-CE2 3.76Å; H82-W108 AromaticContact NE2-CZ2 3.93Å; H82-W108 AromaticContact NE2-NE1 3.74Å; H82-P123 PolarHBondContact CE1-O 2.91Å; H82-M124 WeakPolarHBondContact CE1-CE 3.49Å; H82-H126 AromaticContact CG-NE2 3.77Å; H82-H126 AromaticContact ND1-CD2 3.78Å; H82-H126 AromaticContact ND1-CE1 3.92Å; H82-H126 AromaticContact ND1-NE2 2.91Å; H82-H126 PolarHBondContact ND1-NE2 3.21Å
83S93.3Very high96.1Very high57 Ų5753.8 Ų53.840%0.39930%0.296SS..Hα-helixtrans-60.7-29.6176.478.60000113.4L79 H80L79-S83 PolarHBondContact O-N 3.37Å; H80-S83 PolarHBondContact O-N 2.67Å; H80-S83 PolarHBondContact O-OG 3.3Å
84V94.5Very high96.1Very high100 Ų10052.8 Ų52.861%0.60630%0.298SS*.Hα-helixtrans-92.8-42.2-179.4179.90000112.7H80 L81 H82H80-V84 PolarHBondContact O-N 2.76Å; L81-V84 PolarHBondContact O-N 3.39Å; H82-V84 PolarHBondContact O-N 3.44Å
85L94.8Very high96Very high60 Ų6057 Ų5731%0.31432%0.318SS..Hα-helixtrans-104.2-16.6-170.2-59.4177.6000113.8L81 K88 A91 I92L81-L85 HydrophobicContact CD2-CD1 4.48Å; L81-L85 VanDerWaalsContact O-CB 3.25Å; L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 3.19Å; L85-K88 HydrophobicContact CB-CB 4.3Å; L85-K88 HydrophobicContact CB-CD 4.23Å; L85-K88 VanDerWaalsContact O-CD 3.31Å; L85-K88 WeakPolarHBondContact O-CD 3.46Å; L85-K88 WeakPolarHBondContact O-CE 3.31Å; L85-K88 VanDerWaalsContact O-CG 3.3Å; L85-K88 WeakPolarHBondContact O-CG 3.19Å; L85-A91 HydrophobicContact CD1-CB 4.39Å; L85-I92 HydrophobicContact CD1-CG1 4.32Å
86G94.2Very high96Very high24 Ų2456.3 Ų56.325%0.24732%0.315CS..  trans64-145.4-169.700000112.6H82 K88H82-G86 PolarHBondContact CD2-O 2.97Å; H82-G86 WeakPolarHBondContact O-CA 3.25Å; H82-G86 PolarHBondContact O-N 3.01Å; G86-K88 PolarHBondContact O-N 3.36Å
87N95.3Very high96Very high89 Ų8956.3 Ų56.348%0.47632%0.323SS..SBendtrans-73.531.8-174.3-58.9-47.5000114.8H82 W89H82-N87 PolarHBondContact NE2-OD1 3.4Å; N87-W89 VanDerWaalsContact C-N 3.27Å; N87-W89 HydrophobicContact CB-CZ2 3.89Å; N87-W89 PolarHBondContact O-N 2.9Å; N87-W89 VanDerWaalsContact O-N 3.1Å; N87-W89 PolarHBondContact O-NE1 2.83Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.23Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.5Å
88K96.5Very high95.9Very high130 Ų13054.5 Ų54.557%0.56532%0.315SS*.  trans-85.660.3179.5-66.8178-169.6-72.20111.3L85 G86 S90 A91 I92L85-K88 HydrophobicContact CB-CB 4.3Å; L85-K88 HydrophobicContact CB-CD 4.23Å; L85-K88 VanDerWaalsContact O-CD 3.31Å; L85-K88 WeakPolarHBondContact O-CD 3.46Å; L85-K88 WeakPolarHBondContact O-CE 3.31Å; L85-K88 VanDerWaalsContact O-CG 3.3Å; L85-K88 WeakPolarHBondContact O-CG 3.19Å; G86-K88 PolarHBondContact O-N 3.36Å; K88-S90 VanDerWaalsContact C-N 3.3Å; K88-S90 PolarHBondContact O-N 2.8Å; K88-S90 VanDerWaalsContact O-N 3.13Å; K88-A91 HydrophobicContact CB-CB 4.15Å; K88-A91 WeakPolarHBondContact O-CA 3.32Å; K88-A91 WeakPolarHBondContact O-CB 3.25Å; K88-A91 PolarHBondContact O-N 2.84Å; K88-I92 PolarHBondContact O-N 3.38Å
89W97.8Very high95.8Very high35 Ų3555.4 Ų55.413%0.13332%0.318CS..Hα-helixtrans-51.2-41.8-169.8-51.7115.5000115H82 N87 A91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.5Å; H82-W89 AromaticContact CD2-CZ3 3.85Å; H82-W89 AromaticContact NE2-CH2 3.6Å; H82-W89 AromaticContact NE2-CZ2 3.91Å; N87-W89 VanDerWaalsContact C-N 3.27Å; N87-W89 HydrophobicContact CB-CZ2 3.89Å; N87-W89 PolarHBondContact O-N 2.9Å; N87-W89 VanDerWaalsContact O-N 3.1Å; N87-W89 PolarHBondContact O-NE1 2.83Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.23Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.5Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 3.35Å; W89-I92 HydrophobicContact CE3-CD1 4.07Å; W89-I92 HydrophobicContact CZ3-CD1 4.17Å; W89-I92 PolarHBondContact O-N 2.68Å; W89-A93 WeakPolarHBondContact O-CB 3.36Å; W89-A93 PolarHBondContact O-N 3.1Å; W89-D101 HydrophobicContact CB-CB 3.89Å; W89-I104 HydrophobicContact CE3-CG2 3.82Å; W89-I104 HydrophobicContact CZ3-CG2 4.13Å; W89-K105 HydrophobicContact CB-CB 4.49Å; W89-K105 HydrophobicContact CD2-CB 3.73Å; W89-K105 HydrophobicContact CD2-CG 4.23Å; W89-K105 HydrophobicContact CE3-CB 4.27Å; W89-K105 HydrophobicContact CG-CB 3.8Å; W89-K105 HydrophobicContact CG-CG 4.29Å; W89-K105 HydrophobicContact CZ2-CG 4.44Å; W89-W108 HydrophobicContact CH2-CB 3.68Å; W89-W108 AromaticContact CH2-CD1 3.47Å; W89-W108 VanDerWaalsContact CH2-CD1 3.47Å; W89-W108 AromaticContact CH2-CD2 3.93Å; W89-W108 HydrophobicContact CH2-CD2 3.93Å; W89-W108 AromaticContact CH2-CG 3.38Å; W89-W108 HydrophobicContact CH2-CG 3.38Å; W89-W108 AromaticContact CZ2-CD1 3.92Å; W89-W108 HydrophobicContact CZ2-CG 4.24Å; W89-W108 HydrophobicContact CZ3-CB 3.94Å; W89-W108 HydrophobicContact CZ3-CG 4.05Å
90S96.3Very high95.9Very high80 Ų8054.4 Ų54.456%0.55931%0.313SS*.Hα-helixtrans-66.6-30.6179.4-41.80000112.8K88K88-S90 VanDerWaalsContact C-N 3.3Å; K88-S90 PolarHBondContact O-N 2.8Å; K88-S90 VanDerWaalsContact O-N 3.13Å
91A97.4Very high96Very high42 Ų4251.3 Ų51.335%0.34730%0.301SS..Hα-helixtrans-77.4-34.9172.800000111.9L85 K88 W89 A93 T94 H95L85-A91 HydrophobicContact CD1-CB 4.39Å; K88-A91 HydrophobicContact CB-CB 4.15Å; K88-A91 WeakPolarHBondContact O-CA 3.32Å; K88-A91 WeakPolarHBondContact O-CB 3.25Å; K88-A91 PolarHBondContact O-N 2.84Å; W89-A91 VanDerWaalsContact C-N 3.3Å; W89-A91 PolarHBondContact O-N 3.35Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A91-T94 PolarHBondContact O-OG1 2.73Å; A91-H95 PolarHBondContact O-CD2 3.23Å
92I97.7Very high96Very high0 Ų052 Ų520%030%0.304CS..Hα-helixtrans-65.9-37.3173.5-59.9176.8000110.5L81 H82 L85 K88 W89 T94 H95 L96 I104L81-I92 HydrophobicContact CB-CD1 4.5Å; L81-I92 HydrophobicContact CB-CG1 4.08Å; L81-I92 HydrophobicContact CB-CG2 4.17Å; L81-I92 HydrophobicContact CD1-CG2 4.07Å; H82-I92 HydrophobicContact CB-CD1 4.31Å; L85-I92 HydrophobicContact CD1-CG1 4.32Å; K88-I92 PolarHBondContact O-N 3.38Å; W89-I92 HydrophobicContact CE3-CD1 4.07Å; W89-I92 HydrophobicContact CZ3-CD1 4.17Å; W89-I92 PolarHBondContact O-N 2.68Å; I92-T94 VanDerWaalsContact C-N 3.26Å; I92-T94 PolarHBondContact O-N 3.44Å; I92-H95 PolarHBondContact O-N 3.34Å; I92-L96 HydrophobicContact CG2-CD1 4.09Å; I92-I104 HydrophobicContact CG2-CD1 4.42Å; I92-I104 HydrophobicContact CG2-CG2 4.05Å
93A96.8Very high96Very high21 Ų2153.4 Ų53.417%0.17431%0.311CS..G310 helixtrans-63.7-23.4-17900000114.5W89 A91 H95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.36Å; W89-A93 PolarHBondContact O-N 3.1Å; A91-A93 VanDerWaalsContact C-N 3.31Å; A93-H95 PolarHBondContact O-N 2.93Å; A93-L96 PolarHBondContact O-N 2.93Å; A93-D101 HydrophobicContact CB-CB 4.12Å; A93-I104 HydrophobicContact CB-CD1 3.76Å
94T96.2Very high96.2Very high108 Ų10850.7 Ų50.766%0.66329%0.292SS*.G310 helixtrans-66.9-25.2176.964.70000112.6A91 I92A91-T94 PolarHBondContact O-OG1 2.73Å; I92-T94 VanDerWaalsContact C-N 3.26Å; I92-T94 PolarHBondContact O-N 3.44Å
95H96.4Very high96.3Very high111 Ų11149 Ų4951%0.51428%0.277SS..G310 helixtrans-88.5-6.3179.4-64.9-91.9000113.5T77 L81 A91 I92 A93 P97T77-H95 HydrophobicContact CG2-CB 4.44Å; L81-H95 HydrophobicContact CD1-CB 3.56Å; A91-H95 PolarHBondContact O-CD2 3.23Å; I92-H95 PolarHBondContact O-N 3.34Å; A93-H95 PolarHBondContact O-N 2.93Å; H95-P97 WeakPolarHBondContact O-CD 3.44Å
96L96.4Very high96.4Very high6 Ų649.8 Ų49.83%0.03128%0.281CS..SBendtrans-121.880.9-172.9-70.3165.5000110.4E74 T77 I78 I92 A93 G98 R99 I104E74-L96 HydrophobicContact CB-CD2 3.97Å; E74-L96 HydrophobicContact CG-CD2 3.99Å; T77-L96 HydrophobicContact CG2-CD2 3.85Å; T77-L96 HydrophobicContact CG2-CG 4.18Å; I78-L96 HydrophobicContact CD1-CD1 4.08Å; I78-L96 HydrophobicContact CG1-CD1 3.46Å; I78-L96 VanDerWaalsContact CG1-CD1 3.46Å; I92-L96 HydrophobicContact CG2-CD1 4.09Å; A93-L96 PolarHBondContact O-N 2.93Å; L96-G98 PolarHBondContact O-N 3.32Å; L96-G98 VanDerWaalsContact O-N 3.13Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.19Å; L96-R99 PolarHBondContact O-N 3.43Å; L96-I104 HydrophobicContact CB-CD1 4.39Å; L96-I104 HydrophobicContact CD1-CD1 3.64Å; L96-I104 HydrophobicContact CD1-CG1 3.97Å
97P94.4Very high96.5Very high98 Ų9849.9 Ų49.964%0.63628%0.275SS*.THydrogen-bonded Turntrans-61.7118.7-171.723.7-33.6000111.7K66 H95K66-P97 VanDerWaalsContact CE-O 3.27Å; K66-P97 WeakPolarHBondContact CE-O 3.15Å; K66-P97 PolarHBondContact NZ-O 3.27Å; H95-P97 WeakPolarHBondContact O-CD 3.44Å
98G94.6Very high96.6Very high12 Ų1245.7 Ų45.712%0.12425%0.252CS..THydrogen-bonded Turntrans88.46.6-177.100000115.3D64 I65 K66 L96D64-G98 WeakPolarHBondContact O-CA 3.47Å; I65-G98 CarbonylContact C-O 3.6Å; I65-G98 WeakPolarHBondContact CA-O 3.15Å; K66-G98 PolarHBondContact N-O 2.89Å; L96-G98 PolarHBondContact O-N 3.32Å; L96-G98 VanDerWaalsContact O-N 3.13Å
99R96.7Very high96.5Very high19 Ų1943.4 Ų43.47%0.07225%0.246CC..  trans-104.5145.1167.8-60.3-60.3-176.5168.94110.8G68 K69 F70 E74 L96 I104G68-R99 PolarHBondContact O-NH1 2.91Å; K69-R99 PolarHBondContact O-NH2 3.07Å; F70-R99 HydrophobicContact CE1-CB 4.4Å; F70-R99 HydrophobicContact CE1-CG 3.87Å; E74-R99 WeakPolarHBondContact OE1-CG 3.19Å; E74-R99 IonicContact OE1-CZ 2.66Å; E74-R99 IonicContact OE1-NE 3.42Å; E74-R99 PolarHBondContact OE1-NE 3.27Å; E74-R99 IonicContact OE1-NH2 4Å; E74-R99 PolarHBondContact OE1-NH2 3.19Å; E74-R99 IonicContact OE2-CZ 3.58Å; E74-R99 IonicContact OE2-NE 3.57Å; E74-R99 PolarHBondContact OE2-NE 2.78Å; E74-R99 IonicContact OE2-NH2 2.75Å; E74-R99 PolarHBondContact OE2-NH2 2.84Å; L96-R99 HydrophobicContact CB-CB 3.96Å; L96-R99 HydrophobicContact CB-CG 4.19Å; L96-R99 PolarHBondContact O-N 3.43Å; R99-I104 HydrophobicContact CB-CD1 4.22Å; R99-I104 HydrophobicContact CB-CG1 4.27Å
100T96.7Very high96.4Very high7 Ų745 Ų454%0.04326%0.26CS..  trans-95.8153176.561.80000111.4T58 I65 N102 E103 I104T58-T100 WeakPolarHBondContact O-CG2 3.37Å; I65-T100 HydrophobicContact CD1-CG2 3.85Å; I65-T100 HydrophobicContact CG1-CG2 4Å; I65-T100 HydrophobicContact CG2-CG2 3.86Å; T100-N102 PolarHBondContact O-N 2.88Å; T100-E103 WeakPolarHBondContact CB-OE2 3.35Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.37Å; T100-E103 PolarHBondContact N-OE2 3.24Å; T100-E103 PolarHBondContact O-N 3.19Å; T100-E103 VanDerWaalsContact O-N 3.09Å; T100-E103 WeakPolarHBondContact OG1-CB 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.49Å; T100-E103 PolarHBondContact OG1-N 3.09Å; T100-E103 PolarHBondContact OG1-OE2 3.04Å; T100-I104 WeakPolarHBondContact O-CD1 3.29Å; T100-I104 WeakPolarHBondContact O-CG1 3.36Å; T100-I104 PolarHBondContact O-N 2.99Å
101D96.7Very high96.3Very high55 Ų5545.4 Ų45.429%0.29425%0.253SS..Hα-helixtrans-56.7-34.917471.6-46.3000111.7W89 A93 K105W89-D101 HydrophobicContact CB-CB 3.89Å; A93-D101 HydrophobicContact CB-CB 4.12Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 PolarHBondContact O-N 3.29Å
102N96.7Very high96.1Very high34 Ų3443.4 Ų43.418%0.18224%0.236CC..Hα-helixtrans-67.1-42174.8-171.971.7000113.1N59 T100 K105 N106N59-N102 WeakPolarHBondContact OD1-CB 3.43Å; T100-N102 PolarHBondContact O-N 2.88Å; N102-K105 PolarHBondContact OD1-NZ 3.18Å; N102-N106 WeakPolarHBondContact O-CB 3.28Å; N102-N106 PolarHBondContact O-N 2.88Å; N102-N106 PolarHBondContact O-ND2 2.97Å; N102-N106 PolarHBondContact O-OD1 3.44Å
103E96.9Very high95.9Very high33 Ų3346.6 Ų46.615%0.15425%0.25CS..Hα-helixtrans-65.3-44.8175.2-75161.1143.200111.6R67 F70 T100 N106 F107R67-E103 IonicContact CZ-OE1 2.69Å; R67-E103 IonicContact NH1-OE1 3.47Å; R67-E103 PolarHBondContact NH1-OE1 3Å; F70-E103 HydrophobicContact CZ-CB 4.04Å; T100-E103 WeakPolarHBondContact CB-OE2 3.35Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.37Å; T100-E103 PolarHBondContact N-OE2 3.24Å; T100-E103 PolarHBondContact O-N 3.19Å; T100-E103 VanDerWaalsContact O-N 3.09Å; T100-E103 WeakPolarHBondContact OG1-CB 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.49Å; T100-E103 PolarHBondContact OG1-N 3.09Å; T100-E103 PolarHBondContact OG1-OE2 3.04Å; E103-N106 PolarHBondContact O-N 3.39Å; E103-F107 WeakPolarHBondContact O-CB 3.32Å; E103-F107 PolarHBondContact O-N 3.06Å
104I97.5Very high95.6Very high0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-61.8-48.8178.6-64.5157.4000110.6F70 I78 W89 I92 A93 L96 R99 T100 N106 F107 W108F70-I104 HydrophobicContact CE1-CG1 4.25Å; F70-I104 HydrophobicContact CZ-CG1 4.41Å; I78-I104 HydrophobicContact CD1-CG1 4.3Å; I78-I104 HydrophobicContact CD1-CG2 4.07Å; I78-I104 HydrophobicContact CG1-CG2 3.97Å; I78-I104 HydrophobicContact CG2-CG2 3.96Å; W89-I104 HydrophobicContact CE3-CG2 3.82Å; W89-I104 HydrophobicContact CZ3-CG2 4.13Å; I92-I104 HydrophobicContact CG2-CD1 4.42Å; I92-I104 HydrophobicContact CG2-CG2 4.05Å; A93-I104 HydrophobicContact CB-CD1 3.76Å; L96-I104 HydrophobicContact CB-CD1 4.39Å; L96-I104 HydrophobicContact CD1-CD1 3.64Å; L96-I104 HydrophobicContact CD1-CG1 3.97Å; R99-I104 HydrophobicContact CB-CD1 4.22Å; R99-I104 HydrophobicContact CB-CG1 4.27Å; T100-I104 WeakPolarHBondContact O-CD1 3.29Å; T100-I104 WeakPolarHBondContact O-CG1 3.36Å; T100-I104 PolarHBondContact O-N 2.99Å; I104-N106 VanDerWaalsContact C-N 3.29Å; I104-N106 PolarHBondContact O-N 3.02Å; I104-F107 PolarHBondContact O-N 2.92Å; I104-W108 WeakPolarHBondContact O-CB 3.34Å; I104-W108 PolarHBondContact O-N 3.42Å
105K96.9Very high95.4Very high65 Ų6550.8 Ų50.828%0.28325%0.253SS..Hα-helixtrans-57.4-40.9174.4175.7-16872.3-152.30112W89 D101 N102 N109W89-K105 HydrophobicContact CB-CB 4.49Å; W89-K105 HydrophobicContact CD2-CB 3.73Å; W89-K105 HydrophobicContact CD2-CG 4.23Å; W89-K105 HydrophobicContact CE3-CB 4.27Å; W89-K105 HydrophobicContact CG-CB 3.8Å; W89-K105 HydrophobicContact CG-CG 4.29Å; W89-K105 HydrophobicContact CZ2-CG 4.44Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 PolarHBondContact O-N 3.29Å; N102-K105 PolarHBondContact OD1-NZ 3.18Å; K105-N109 PolarHBondContact O-N 3.23Å; K105-N109 PolarHBondContact O-ND2 2.91Å
106N96.7Very high95.2Very high76 Ų7646.1 Ų46.141%0.40623%0.232SC..Hα-helixtrans-66.4-51.2178.2-73.6-4.6000110.4N102 E103 I104 W108 N109 T110N102-N106 WeakPolarHBondContact O-CB 3.28Å; N102-N106 PolarHBondContact O-N 2.88Å; N102-N106 PolarHBondContact O-ND2 2.97Å; N102-N106 PolarHBondContact O-OD1 3.44Å; E103-N106 PolarHBondContact O-N 3.39Å; I104-N106 VanDerWaalsContact C-N 3.29Å; I104-N106 PolarHBondContact O-N 3.02Å; N106-W108 VanDerWaalsContact C-N 3.28Å; N106-W108 PolarHBondContact O-N 2.93Å; N106-N109 PolarHBondContact O-N 3.19Å; N106-T110 PolarHBondContact O-N 2.98Å; N106-T110 PolarHBondContact O-OG1 3.14Å
107F96.6Very high94.8Very high26 Ų2649.9 Ų49.911%0.11425%0.251CS..Hα-helixtrans-56.9-40.8179.1-176.1-113.1000112.6F70 E75 I78 E103 I104 H111 L112F70-F107 HydrophobicContact CB-CD1 4.48Å; F70-F107 HydrophobicContact CB-CD2 4.46Å; F70-F107 HydrophobicContact CB-CE1 4.03Å; F70-F107 HydrophobicContact CB-CE2 4.05Å; F70-F107 HydrophobicContact CB-CZ 3.82Å; F70-F107 HydrophobicContact CD1-CD1 4.35Å; F70-F107 HydrophobicContact CD2-CB 3.94Å; F70-F107 AromaticContact CD2-CD1 3.96Å; F70-F107 HydrophobicContact CD2-CD1 3.96Å; F70-F107 AromaticContact CD2-CD2 3.44Å; F70-F107 HydrophobicContact CD2-CD2 3.44Å; F70-F107 VanDerWaalsContact CD2-CD2 3.44Å; F70-F107 HydrophobicContact CD2-CE1 4.32Å; F70-F107 AromaticContact CD2-CE2 3.89Å; F70-F107 HydrophobicContact CD2-CE2 3.89Å; F70-F107 AromaticContact CD2-CG 3.51Å; F70-F107 HydrophobicContact CD2-CG 3.51Å; F70-F107 HydrophobicContact CD2-CZ 4.3Å; F70-F107 HydrophobicContact CE2-CB 3.53Å; F70-F107 HydrophobicContact CE2-CD1 4.28Å; F70-F107 AromaticContact CE2-CD2 3.95Å; F70-F107 HydrophobicContact CE2-CD2 3.95Å; F70-F107 AromaticContact CE2-CG 3.68Å; F70-F107 HydrophobicContact CE2-CG 3.68Å; F70-F107 AromaticContact CG-CD1 4Å; F70-F107 HydrophobicContact CG-CD1 4Å; F70-F107 HydrophobicContact CG-CD2 4.12Å; F70-F107 HydrophobicContact CG-CE1 4.05Å; F70-F107 HydrophobicContact CG-CE2 4.21Å; F70-F107 HydrophobicContact CG-CG 4.04Å; F70-F107 HydrophobicContact CG-CZ 4.17Å; F70-F107 HydrophobicContact CZ-CB 4.01Å; F70-F107 HydrophobicContact CZ-CG 4.31Å; E75-F107 HydrophobicContact CB-CE1 4.15Å; E75-F107 HydrophobicContact CB-CZ 4.44Å; E75-F107 HydrophobicContact CG-CE1 4.27Å; I78-F107 HydrophobicContact CD1-CD1 3.84Å; I78-F107 HydrophobicContact CD1-CE1 4.26Å; E103-F107 WeakPolarHBondContact O-CB 3.32Å; E103-F107 PolarHBondContact O-N 3.06Å; I104-F107 PolarHBondContact O-N 2.92Å; F107-H111 HydrophobicContact CD2-CB 4.26Å; F107-H111 AromaticContact CD2-CD2 3.38Å; F107-H111 WeakPolarHBondContact CD2-CD2 3.36Å; F107-H111 HydrophobicContact CE2-CB 4.05Å; F107-H111 AromaticContact CE2-CD2 3.7Å; F107-H111 AromaticContact CE2-CG 3.97Å; F107-H111 WeakPolarHBondContact O-CB 3.39Å; F107-H111 PolarHBondContact O-N 3.48Å; F107-L112 HydrophobicContact CD1-CD1 3.71Å; F107-L112 HydrophobicContact CD1-CD2 4.28Å; F107-L112 HydrophobicContact CD1-CG 3.85Å; F107-L112 HydrophobicContact CE1-CD1 3.73Å; F107-L112 HydrophobicContact CE1-CD2 3.6Å; F107-L112 HydrophobicContact CE1-CG 3.69Å; F107-L112 HydrophobicContact CZ-CD2 4.02Å; F107-L112 HydrophobicContact CZ-CG 4.41Å; F107-L112 PolarHBondContact O-N 3.13Å
108W96.8Very high94.5Very high2 Ų253 Ų531%0.00826%0.257CS..Iπ-helixtrans-57.1-50.9171.9175-96.9000112.5L79 H82 W89 I104 N106 L112 K113 L116 P123 M124 H126L79-W108 HydrophobicContact CD2-CZ3 4.15Å; H82-W108 HydrophobicContact CB-CE3 4.43Å; H82-W108 HydrophobicContact CB-CZ3 4.11Å; H82-W108 AromaticContact CE1-CH2 3.83Å; H82-W108 AromaticContact CE1-CZ2 3.44Å; H82-W108 VanDerWaalsContact CE1-CZ2 3.44Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.47Å; H82-W108 AromaticContact CG-CH2 3.82Å; H82-W108 AromaticContact CG-CZ3 3.75Å; H82-W108 AromaticContact ND1-CH2 3.39Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.39Å; H82-W108 AromaticContact ND1-CZ2 3.7Å; H82-W108 AromaticContact ND1-CZ3 3.81Å; H82-W108 AromaticContact NE2-CE2 3.76Å; H82-W108 AromaticContact NE2-CZ2 3.93Å; H82-W108 AromaticContact NE2-NE1 3.74Å; W89-W108 HydrophobicContact CH2-CB 3.68Å; W89-W108 AromaticContact CH2-CD1 3.47Å; W89-W108 VanDerWaalsContact CH2-CD1 3.47Å; W89-W108 AromaticContact CH2-CD2 3.93Å; W89-W108 HydrophobicContact CH2-CD2 3.93Å; W89-W108 AromaticContact CH2-CG 3.38Å; W89-W108 HydrophobicContact CH2-CG 3.38Å; W89-W108 AromaticContact CZ2-CD1 3.92Å; W89-W108 HydrophobicContact CZ2-CG 4.24Å; W89-W108 HydrophobicContact CZ3-CB 3.94Å; W89-W108 HydrophobicContact CZ3-CG 4.05Å; I104-W108 WeakPolarHBondContact O-CB 3.34Å; I104-W108 PolarHBondContact O-N 3.42Å; N106-W108 VanDerWaalsContact C-N 3.28Å; N106-W108 PolarHBondContact O-N 2.93Å; W108-L112 HydrophobicContact CD2-CB 4.39Å; W108-L112 HydrophobicContact CE3-CB 3.73Å; W108-L112 HydrophobicContact CE3-CD1 3.87Å; W108-L112 HydrophobicContact CE3-CG 4.43Å; W108-L112 HydrophobicContact CZ3-CB 4.06Å; W108-L112 HydrophobicContact CZ3-CD1 4.45Å; W108-L112 PolarHBondContact O-N 3.06Å; W108-K113 VanDerWaalsContact O-CB 3.24Å; W108-K113 WeakPolarHBondContact O-CB 3.1Å; W108-K113 PolarHBondContact O-N 3.36Å; W108-L116 HydrophobicContact CH2-CD2 4.41Å; W108-P123 HydrophobicContact CH2-CB 4.43Å; W108-P123 VanDerWaalsContact CH2-O 3.24Å; W108-P123 WeakPolarHBondContact CH2-O 3.29Å; W108-P123 HydrophobicContact CZ2-CB 4.03Å; W108-P123 WeakPolarHBondContact CZ2-O 3.06Å; W108-M124 HydrophobicContact CZ2-CE 3.89Å; W108-H126 AromaticContact CH2-CE1 3.75Å; W108-H126 AromaticContact CH2-NE2 3.47Å; W108-H126 WeakPolarHBondContact CH2-NE2 3.42Å; W108-H126 AromaticContact CZ3-CE1 3.82Å; W108-H126 AromaticContact CZ3-NE2 3.91Å
109N95.1Very high94.2Very high82 Ų8257.3 Ų57.344%0.43928%0.275SS..Iπ-helixtrans-73.5-30.5-176.1-75-62.5000113.5K105 N106K105-N109 PolarHBondContact O-N 3.23Å; K105-N109 PolarHBondContact O-ND2 2.91Å; N106-N109 PolarHBondContact O-N 3.19Å
110T94.2Very high93.6Very high68 Ų6858 Ų5842%0.41729%0.289SS..Iπ-helixtrans-89.2-35.9-178.156.30000113.6N106 K114N106-T110 PolarHBondContact O-N 2.98Å; N106-T110 PolarHBondContact O-OG1 3.14Å; T110-K114 WeakPolarHBondContact O-CD 3.44Å; T110-K114 WeakPolarHBondContact O-CE 3.44Å; T110-K114 PolarHBondContact O-NZ 2.74Å
111H94.1Very high93.2Very high88 Ų8861.5 Ų61.541%0.40730%0.303SS..Iπ-helixtrans-116.8-66.3-174.7-54.1-77.8000112.8F107 K113 K114 R115F107-H111 HydrophobicContact CD2-CB 4.26Å; F107-H111 AromaticContact CD2-CD2 3.38Å; F107-H111 WeakPolarHBondContact CD2-CD2 3.36Å; F107-H111 HydrophobicContact CE2-CB 4.05Å; F107-H111 AromaticContact CE2-CD2 3.7Å; F107-H111 AromaticContact CE2-CG 3.97Å; F107-H111 WeakPolarHBondContact O-CB 3.39Å; F107-H111 PolarHBondContact O-N 3.48Å; H111-K113 PolarHBondContact O-N 3.39Å; H111-K114 WeakPolarHBondContact O-CB 3.47Å; H111-K114 PolarHBondContact O-N 2.69Å; H111-R115 PolarHBondContact O-N 2.91Å
112L94.5Very high92.7Very high0 Ų061.2 Ų61.20%030%0.302CS..Iπ-helixtrans-61.8-47.7-165.3-56.1-179.7000112.9E75 I78 L79 F107 W108 K114 R115 L116E75-L112 HydrophobicContact CG-CD2 3.59Å; E75-L112 WeakPolarHBondContact OE1-CD2 3.46Å; I78-L112 HydrophobicContact CB-CD1 4.1Å; I78-L112 HydrophobicContact CG2-CD1 3.52Å; L79-L112 HydrophobicContact CD2-CB 4.23Å; L79-L112 HydrophobicContact CD2-CD1 4.06Å; L79-L112 HydrophobicContact CD2-CD2 4.29Å; L79-L112 HydrophobicContact CD2-CG 4.43Å; L79-L112 HydrophobicContact CG-CD1 4.44Å; F107-L112 HydrophobicContact CD1-CD1 3.71Å; F107-L112 HydrophobicContact CD1-CD2 4.28Å; F107-L112 HydrophobicContact CD1-CG 3.85Å; F107-L112 HydrophobicContact CE1-CD1 3.73Å; F107-L112 HydrophobicContact CE1-CD2 3.6Å; F107-L112 HydrophobicContact CE1-CG 3.69Å; F107-L112 HydrophobicContact CZ-CD2 4.02Å; F107-L112 HydrophobicContact CZ-CG 4.41Å; F107-L112 PolarHBondContact O-N 3.13Å; W108-L112 HydrophobicContact CD2-CB 4.39Å; W108-L112 HydrophobicContact CE3-CB 3.73Å; W108-L112 HydrophobicContact CE3-CD1 3.87Å; W108-L112 HydrophobicContact CE3-CG 4.43Å; W108-L112 HydrophobicContact CZ3-CB 4.06Å; W108-L112 HydrophobicContact CZ3-CD1 4.45Å; W108-L112 PolarHBondContact O-N 3.06Å; L112-K114 PolarHBondContact O-N 2.97Å; L112-K114 VanDerWaalsContact O-N 3.16Å; L112-R115 WeakPolarHBondContact O-CB 3.48Å; L112-R115 PolarHBondContact O-N 2.67Å; L112-L116 HydrophobicContact CB-CD1 4.5Å; L112-L116 WeakPolarHBondContact O-CD1 3.41Å; L112-L116 PolarHBondContact O-N 3.35Å
113K92.7Very high92.1Very high68 Ų6860.2 Ų60.230%0.29630%0.297SS..Hα-helixtrans-55.2-37.1177.4-178.9175.1-179.7-179.70112.4W108 H111 I117 P123W108-K113 VanDerWaalsContact O-CB 3.24Å; W108-K113 WeakPolarHBondContact O-CB 3.1Å; W108-K113 PolarHBondContact O-N 3.36Å; H111-K113 PolarHBondContact O-N 3.39Å; K113-I117 HydrophobicContact CG-CD1 4.16Å; K113-I117 VanDerWaalsContact O-CD1 3.28Å; K113-I117 WeakPolarHBondContact O-CD1 3.44Å; K113-I117 WeakPolarHBondContact O-CG1 3.37Å; K113-I117 PolarHBondContact O-N 3.3Å; K113-P123 HydrophobicContact CB-CB 4.49Å; K113-P123 HydrophobicContact CG-CB 3.88Å; K113-P123 HydrophobicContact CG-CG 4.1Å
114K91.6Very high91.5Very high122 Ų12262.9 Ų62.953%0.5331%0.31SS..Hα-helixtrans-73.7-43.4177.4-60.9-177.3-172.5167.90111.2T110 H111 L112 I117 Q118T110-K114 WeakPolarHBondContact O-CD 3.44Å; T110-K114 WeakPolarHBondContact O-CE 3.44Å; T110-K114 PolarHBondContact O-NZ 2.74Å; H111-K114 WeakPolarHBondContact O-CB 3.47Å; H111-K114 PolarHBondContact O-N 2.69Å; L112-K114 PolarHBondContact O-N 2.97Å; L112-K114 VanDerWaalsContact O-N 3.16Å; K114-I117 PolarHBondContact O-N 2.79Å; K114-Q118 WeakPolarHBondContact O-CB 3.02Å; K114-Q118 VanDerWaalsContact O-CG 3.28Å; K114-Q118 WeakPolarHBondContact O-CG 3.42Å; K114-Q118 PolarHBondContact O-N 3.36Å
115R92Very high90.8Very high95 Ų9566.4 Ų66.436%0.35833%0.332SS..Hα-helixtrans-57.8-47.7177.5-175176.2-71.6-178.2-2.9111.5E75 H111 L112 I117 Q118 M119E75-R115 IonicContact OE1-CZ 4Å; E75-R115 IonicContact OE1-NE 3.54Å; E75-R115 IonicContact OE1-NH1 3.6Å; E75-R115 PolarHBondContact OE1-NH1 3.08Å; E75-R115 IonicContact OE2-CZ 2.7Å; E75-R115 IonicContact OE2-NH1 3.74Å; E75-R115 PolarHBondContact OE2-NH1 3.13Å; H111-R115 PolarHBondContact O-N 2.91Å; L112-R115 WeakPolarHBondContact O-CB 3.48Å; L112-R115 PolarHBondContact O-N 2.67Å; R115-I117 PolarHBondContact O-N 2.83Å; R115-Q118 PolarHBondContact O-N 3.27Å; R115-M119 HydrophobicContact CG-CE 3.74Å; R115-M119 HydrophobicContact CG-SD 3.87Å; R115-M119 WeakPolarHBondContact O-CB 3.4Å; R115-M119 WeakPolarHBondContact O-CG 3.46Å; R115-M119 PolarHBondContact O-N 3.1Å
116L90.9Very high90.1Very high13 Ų1365.1 Ų65.17%0.06833%0.327CS..Hα-helixtrans-60-48176.6-87.479.3000112.1L79 W108 L112 Q118 M119 G120 F121 P123L79-L116 HydrophobicContact CD2-CD1 3.6Å; W108-L116 HydrophobicContact CH2-CD2 4.41Å; L112-L116 HydrophobicContact CB-CD1 4.5Å; L112-L116 WeakPolarHBondContact O-CD1 3.41Å; L112-L116 PolarHBondContact O-N 3.35Å; L116-Q118 VanDerWaalsContact C-N 3.31Å; L116-Q118 PolarHBondContact O-N 2.82Å; L116-M119 CarbonylContact O-C 3.51Å; L116-M119 PolarHBondContact O-N 2.66Å; L116-G120 PolarHBondContact O-N 3.42Å; L116-G120 VanDerWaalsContact O-N 3.15Å; L116-F121 CarbonylContact C-O 3.51Å; L116-F121 HydrophobicContact CB-CB 4.19Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.34Å; L116-F121 PolarHBondContact O-N 2.75Å; L116-P123 HydrophobicContact CB-CB 4.45Å
117I88.7Confident89.5Confident84 Ų8470 Ų7043%0.43134%0.34SS..Hα-helixtrans-60.8-41.1179.1-67.3166.9000111.1K113 K114 R115 M119 G120 P123K113-I117 HydrophobicContact CG-CD1 4.16Å; K113-I117 VanDerWaalsContact O-CD1 3.28Å; K113-I117 WeakPolarHBondContact O-CD1 3.44Å; K113-I117 WeakPolarHBondContact O-CG1 3.37Å; K113-I117 PolarHBondContact O-N 3.3Å; K114-I117 PolarHBondContact O-N 2.79Å; R115-I117 PolarHBondContact O-N 2.83Å; I117-M119 VanDerWaalsContact C-N 3.35Å; I117-G120 PolarHBondContact O-N 2.99Å; I117-G120 VanDerWaalsContact O-N 3.12Å; I117-P123 HydrophobicContact CD1-CG 4.14Å; I117-P123 HydrophobicContact CG1-CG 4Å
118Q88.7Confident88.6Confident163 Ų16372.4 Ų72.476%0.76236%0.358SS*.Hα-helixtrans-65.8-36176.9-73.3168.4-600112.7K114 R115 L116 G120K114-Q118 WeakPolarHBondContact O-CB 3.02Å; K114-Q118 VanDerWaalsContact O-CG 3.28Å; K114-Q118 WeakPolarHBondContact O-CG 3.42Å; K114-Q118 PolarHBondContact O-N 3.36Å; R115-Q118 PolarHBondContact O-N 3.27Å; L116-Q118 VanDerWaalsContact C-N 3.31Å; L116-Q118 PolarHBondContact O-N 2.82Å; Q118-G120 PolarHBondContact O-N 2.69Å
119M87.7Confident87.3Confident103 Ų10379.8 Ų79.851%0.50739%0.386SS..THydrogen-bonded Turntrans-76.70.5173.6-68.2170.7169.400113.3R115 L116 I117 F121R115-M119 HydrophobicContact CG-CE 3.74Å; R115-M119 HydrophobicContact CG-SD 3.87Å; R115-M119 WeakPolarHBondContact O-CB 3.4Å; R115-M119 WeakPolarHBondContact O-CG 3.46Å; R115-M119 PolarHBondContact O-N 3.1Å; L116-M119 CarbonylContact O-C 3.51Å; L116-M119 PolarHBondContact O-N 2.66Å; I117-M119 VanDerWaalsContact C-N 3.35Å; M119-F121 HydrophobicContact CB-CD2 3.7Å; M119-F121 HydrophobicContact CB-CE2 4.04Å; M119-F121 VanDerWaalsContact O-CD2 3.31Å; M119-F121 WeakPolarHBondContact O-CD2 3.44Å; M119-F121 WeakPolarHBondContact O-CE2 3.4Å
120G84.4Confident85.9Confident35 Ų3581 Ų8136%0.36140%0.397SS..THydrogen-bonded Turntrans78.421.3-179.900000114.5L116 I117 Q118 R129L116-G120 PolarHBondContact O-N 3.42Å; L116-G120 VanDerWaalsContact O-N 3.15Å; I117-G120 PolarHBondContact O-N 2.99Å; I117-G120 VanDerWaalsContact O-N 3.12Å; Q118-G120 PolarHBondContact O-N 2.69Å; G120-R129 WeakPolarHBondContact O-CA 3.27Å; G120-R129 WeakPolarHBondContact O-CB 3.44Å; G120-R129 PolarHBondContact O-N 2.66Å
121F87.6Confident84.4Confident80 Ų8081.1 Ų81.135%0.35140%0.395SS..BIsolated β-bridgetrans-100.7145.7174.6-66.9-100.7000111.4L116 M119 P123 R127 P128L116-F121 CarbonylContact C-O 3.51Å; L116-F121 HydrophobicContact CB-CB 4.19Å; L116-F121 HydrophobicContact CD2-CB 4.4Å; L116-F121 HydrophobicContact CG-CB 4.34Å; L116-F121 PolarHBondContact O-N 2.75Å; M119-F121 HydrophobicContact CB-CD2 3.7Å; M119-F121 HydrophobicContact CB-CE2 4.04Å; M119-F121 VanDerWaalsContact O-CD2 3.31Å; M119-F121 WeakPolarHBondContact O-CD2 3.44Å; M119-F121 WeakPolarHBondContact O-CE2 3.4Å; F121-P123 WeakPolarHBondContact O-CD 3.25Å; F121-R127 WeakPolarHBondContact CA-O 3.37Å; F121-P128 HydrophobicContact CD1-CB 4.38Å; F121-P128 HydrophobicContact CE1-CB 4.15Å
122D85.8Confident82.9Confident49 Ų4982.5 Ų82.526%0.26241%0.405SS..  trans-72.4120.9166.6165.226.8000109.5M124 T125 H126 R127D122-M124 PolarHBondContact O-N 3.22Å; D122-M124 PolarHBondContact OD1-N 2.54Å; D122-T125 PolarHBondContact O-N 3.31Å; D122-T125 VanDerWaalsContact OD2-CB 3.3Å; D122-T125 WeakPolarHBondContact OD2-CB 3.26Å; D122-T125 VanDerWaalsContact OD2-CG2 3.25Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.42Å; D122-T125 PolarHBondContact OD2-N 2.95Å; D122-T125 PolarHBondContact OD2-OG1 2.9Å; D122-H126 VanDerWaalsContact O-CA 3.3Å; D122-H126 WeakPolarHBondContact O-CA 2.92Å; D122-H126 PolarHBondContact O-N 3.47Å; D122-R127 PolarHBondContact N-O 3.3Å
123P84.7Confident81.5Confident12 Ų1290.7 Ų90.78%0.07844%0.44CS..THydrogen-bonded Turntrans-65.8-17.6-178.929.4-38.4000114.3H82 W108 K113 L116 I117 F121H82-P123 PolarHBondContact CE1-O 2.91Å; W108-P123 HydrophobicContact CH2-CB 4.43Å; W108-P123 VanDerWaalsContact CH2-O 3.24Å; W108-P123 WeakPolarHBondContact CH2-O 3.29Å; W108-P123 HydrophobicContact CZ2-CB 4.03Å; W108-P123 WeakPolarHBondContact CZ2-O 3.06Å; K113-P123 HydrophobicContact CB-CB 4.49Å; K113-P123 HydrophobicContact CG-CB 3.88Å; K113-P123 HydrophobicContact CG-CG 4.1Å; L116-P123 HydrophobicContact CB-CB 4.45Å; I117-P123 HydrophobicContact CD1-CG 4.14Å; I117-P123 HydrophobicContact CG1-CG 4Å; F121-P123 WeakPolarHBondContact O-CD 3.25Å
124M84.2Confident80.4Confident89 Ų8990.5 Ų90.544%0.43845%0.451SS..THydrogen-bonded Turntrans-87.6-42.9178.5-63.1-6689.800112.4H82 W108 D122H82-M124 WeakPolarHBondContact CE1-CE 3.49Å; W108-M124 HydrophobicContact CZ2-CE 3.89Å; D122-M124 PolarHBondContact O-N 3.22Å; D122-M124 PolarHBondContact OD1-N 2.54Å
125T83.1Confident79.5Confident74 Ų7486.7 Ų86.745%0.45444%0.443SS..THydrogen-bonded Turntrans-95.2-10.7-17961.10000114.6D122 R127D122-T125 PolarHBondContact O-N 3.31Å; D122-T125 VanDerWaalsContact OD2-CB 3.3Å; D122-T125 WeakPolarHBondContact OD2-CB 3.26Å; D122-T125 VanDerWaalsContact OD2-CG2 3.25Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.42Å; D122-T125 PolarHBondContact OD2-N 2.95Å; D122-T125 PolarHBondContact OD2-OG1 2.9Å; T125-R127 PolarHBondContact O-N 3.4Å; T125-R127 VanDerWaalsContact O-N 3.12Å
126H82.6Confident78.8Confident39 Ų3985.6 Ų85.618%0.18144%0.444CS..  trans55.320.7-172.3-67.3-118.8000113.7L79 H82 W108 D122L79-H126 PolarHBondContact O-CE1 2.94Å; L79-H126 VanDerWaalsContact O-CE1 3.31Å; H82-H126 AromaticContact CG-NE2 3.77Å; H82-H126 AromaticContact ND1-CD2 3.78Å; H82-H126 AromaticContact ND1-CE1 3.92Å; H82-H126 AromaticContact ND1-NE2 2.91Å; H82-H126 PolarHBondContact ND1-NE2 3.21Å; W108-H126 AromaticContact CH2-CE1 3.75Å; W108-H126 AromaticContact CH2-NE2 3.47Å; W108-H126 WeakPolarHBondContact CH2-NE2 3.42Å; W108-H126 AromaticContact CZ3-CE1 3.82Å; W108-H126 AromaticContact CZ3-NE2 3.91Å; D122-H126 VanDerWaalsContact O-CA 3.3Å; D122-H126 WeakPolarHBondContact O-CA 2.92Å; D122-H126 PolarHBondContact O-N 3.47Å
127R82.3Confident78.4Confident177 Ų17788.9 Ų88.967%0.66847%0.466SS*.SBendtrans-93.8148.3177.4-68.8177.4-177.1178.9-0.1110.3F121 D122 T125 R129F121-R127 WeakPolarHBondContact CA-O 3.37Å; D122-R127 PolarHBondContact N-O 3.3Å; T125-R127 PolarHBondContact O-N 3.4Å; T125-R127 VanDerWaalsContact O-N 3.12Å; R127-R129 PolarHBondContact O-N 2.88Å
128P79.5Confident78.1Confident78 Ų7890.2 Ų90.251%0.50647%0.47SS..BIsolated β-bridgetrans-57.2131.5168.926-33.8000108F121 T130F121-P128 HydrophobicContact CD1-CB 4.38Å; F121-P128 HydrophobicContact CE1-CB 4.15Å; P128-T130 PolarHBondContact O-N 2.94Å
129R69.4Low77.9Confident156 Ų15686.9 Ų86.959%0.58946%0.457SS*.  trans-73.385178.6-170.5177.7-174.7147.96.5107.8G120 R127 D131G120-R129 WeakPolarHBondContact O-CA 3.27Å; G120-R129 WeakPolarHBondContact O-CB 3.44Å; G120-R129 PolarHBondContact O-N 2.66Å; R127-R129 PolarHBondContact O-N 2.88Å; R129-D131 WeakPolarHBondContact CD-OD2 3.47Å; R129-D131 HydrophobicContact CG-CB 4.42Å; R129-D131 WeakPolarHBondContact CG-OD2 3.38Å; R129-D131 IonicContact CZ-OD2 2.79Å; R129-D131 IonicContact NE-OD2 3.37Å; R129-D131 PolarHBondContact NE-OD2 2.73Å; R129-D131 IonicContact NH2-OD2 3.59Å; R129-D131 PolarHBondContact O-N 3.13Å
130T65.7Low77.9Confident109 Ų10987.3 Ų87.367%0.66946%0.46SS*.  trans-70.954.3170.855.60000110.9P128 L132P128-T130 PolarHBondContact O-N 2.94Å; T130-L132 PolarHBondContact O-N 2.98Å
131D61.4Low78.1Confident70 Ų7088 Ų8837%0.37446%0.463SS..  trans-67.879.7156.3-80.5-31.2000106.1R129 F133 A134 A135R129-D131 WeakPolarHBondContact CD-OD2 3.47Å; R129-D131 HydrophobicContact CG-CB 4.42Å; R129-D131 WeakPolarHBondContact CG-OD2 3.38Å; R129-D131 IonicContact CZ-OD2 2.79Å; R129-D131 IonicContact NE-OD2 3.37Å; R129-D131 PolarHBondContact NE-OD2 2.73Å; R129-D131 IonicContact NH2-OD2 3.59Å; R129-D131 PolarHBondContact O-N 3.13Å; D131-F133 PolarHBondContact O-N 3.12Å; D131-F133 VanDerWaalsContact O-N 3.13Å; D131-A134 HydrophobicContact CB-CB 3.67Å; D131-A134 WeakPolarHBondContact O-CB 3.44Å; D131-A134 PolarHBondContact O-N 3.4Å; D131-A135 PolarHBondContact O-N 3.41Å
132L63.3Low78.3Confident117 Ų11789.5 Ų89.561%0.61347%0.474SS*.Hα-helixtrans-47.4-42.3172.9-77.5124.2000109.3T130 A134 A135 L136T130-L132 PolarHBondContact O-N 2.98Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.22Å; L132-A135 CarbonylContact O-C 3.52Å; L132-A135 PolarHBondContact O-N 3.39Å; L132-A135 VanDerWaalsContact O-N 3.11Å; L132-L136 WeakPolarHBondContact O-CG 3.44Å; L132-L136 PolarHBondContact O-N 3.28Å
133F65.9Low78.5Confident171 Ų17189.7 Ų89.775%0.7548%0.482SS*.Hα-helixtrans-54.9-35.1173.3-65.6-75.8000115.5D131 L136D131-F133 PolarHBondContact O-N 3.12Å; D131-F133 VanDerWaalsContact O-N 3.13Å; F133-L136 HydrophobicContact CD1-CD1 3.88Å; F133-L136 HydrophobicContact CE1-CD1 4.39Å
134A68.4Low78.7Confident64 Ų6491.7 Ų91.753%0.52950%0.499SS..Hα-helixtrans-76.9-26.717800000112.6D131 L132 Q138D131-A134 HydrophobicContact CB-CB 3.67Å; D131-A134 WeakPolarHBondContact O-CB 3.44Å; D131-A134 PolarHBondContact O-N 3.4Å; L132-A134 VanDerWaalsContact C-N 3.33Å; L132-A134 PolarHBondContact O-N 3.22Å; A134-Q138 PolarHBondContact O-OE1 2.98Å; A134-Q138 VanDerWaalsContact O-OE1 3.06Å
135A72.3Confident79Confident43 Ų4391.7 Ų91.736%0.35550%0.501SS..Hα-helixtrans-92.2-13.8174.500000113.6D131 L132 P137 Q138 L139D131-A135 PolarHBondContact O-N 3.41Å; L132-A135 CarbonylContact O-C 3.52Å; L132-A135 PolarHBondContact O-N 3.39Å; L132-A135 VanDerWaalsContact O-N 3.11Å; A135-P137 VanDerWaalsContact C-CD 3.49Å; A135-Q138 PolarHBondContact O-N 3.14Å; A135-Q138 PolarHBondContact O-OE1 3.28Å; A135-L139 HydrophobicContact CB-CD1 4.16Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.88Å
136L77.9Confident79.3Confident72 Ų7296.5 Ų96.538%0.37751%0.511SS..Hα-helixtrans-52.6-45.5-179.9-82.1-173.9000113L132 F133 Q138 L139 I140L132-L136 WeakPolarHBondContact O-CG 3.44Å; L132-L136 PolarHBondContact O-N 3.28Å; F133-L136 HydrophobicContact CD1-CD1 3.88Å; F133-L136 HydrophobicContact CE1-CD1 4.39Å; L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.95Å; L136-L139 PolarHBondContact O-N 3.34Å; L136-I140 HydrophobicContact CB-CD1 4.43Å; L136-I140 WeakPolarHBondContact O-CB 3.13Å; L136-I140 WeakPolarHBondContact O-CD1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.38Å; L136-I140 PolarHBondContact O-N 3.19Å
137P82.3Confident79.5Confident81 Ų8199.9 Ų99.953%0.52653%0.527SS..Hα-helixtrans-59.4-41.3179.8-24.635000113.1A135 A141A135-P137 VanDerWaalsContact C-CD 3.49Å; P137-A141 WeakPolarHBondContact O-CB 3.34Å; P137-A141 PolarHBondContact O-N 2.87Å
138Q83.7Confident79.6Confident113 Ų11397.3 Ų97.353%0.52852%0.522SS..Hα-helixtrans-72.8-39.2179.3-61.182.1-9.200111.2A134 A135 L136 A141 L142A134-Q138 PolarHBondContact O-OE1 2.98Å; A134-Q138 VanDerWaalsContact O-OE1 3.06Å; A135-Q138 PolarHBondContact O-N 3.14Å; A135-Q138 PolarHBondContact O-OE1 3.28Å; L136-Q138 VanDerWaalsContact C-N 3.32Å; L136-Q138 PolarHBondContact O-N 2.95Å; Q138-A141 PolarHBondContact O-N 3.46Å; Q138-L142 WeakPolarHBondContact O-CB 3.43Å; Q138-L142 WeakPolarHBondContact O-CG 3.17Å; Q138-L142 PolarHBondContact O-N 3.46Å
139L84Confident80Confident93 Ų9399.1 Ų99.149%0.48753%0.527SS..Hα-helixtrans-65.8-40.1174.9-70.8170.6000111.9A135 L136 L142 A143A135-L139 HydrophobicContact CB-CD1 4.16Å; A135-L139 WeakPolarHBondContact O-CB 3.4Å; A135-L139 WeakPolarHBondContact O-CG 3.38Å; A135-L139 PolarHBondContact O-N 2.88Å; L136-L139 PolarHBondContact O-N 3.34Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-A143 WeakPolarHBondContact O-CB 3.34Å; L139-A143 PolarHBondContact O-N 2.85Å
140I87.6Confident80.7Confident111 Ų11194.4 Ų94.457%0.56952%0.518SS*.Hα-helixtrans-64.4-43.8173.6-69163.5000110.3L136 A143 A144L136-I140 HydrophobicContact CB-CD1 4.43Å; L136-I140 WeakPolarHBondContact O-CB 3.13Å; L136-I140 WeakPolarHBondContact O-CD1 3.27Å; L136-I140 WeakPolarHBondContact O-CG1 3.38Å; L136-I140 PolarHBondContact O-N 3.19Å; I140-A143 PolarHBondContact O-N 3.25Å; I140-A144 WeakPolarHBondContact O-CB 3.28Å; I140-A144 PolarHBondContact O-N 3.27Å
141A89Confident81.5Confident50 Ų5092.2 Ų92.241%0.41351%0.511SS..Hα-helixtrans-62.8-42176.200000112.5P137 Q138 A144 L145P137-A141 WeakPolarHBondContact O-CB 3.34Å; P137-A141 PolarHBondContact O-N 2.87Å; Q138-A141 PolarHBondContact O-N 3.46Å; A141-A144 PolarHBondContact O-N 3.18Å; A141-L145 WeakPolarHBondContact O-CG 3.49Å; A141-L145 PolarHBondContact O-N 3.38Å
142L90.4Very high82.2Confident112 Ų11295.9 Ų95.959%0.58653%0.53SS*.Hα-helixtrans-65.9-38.7174.6-75.5171.8000112.4Q138 L139 L145 R146Q138-L142 WeakPolarHBondContact O-CB 3.43Å; Q138-L142 WeakPolarHBondContact O-CG 3.17Å; Q138-L142 PolarHBondContact O-N 3.46Å; L139-L142 PolarHBondContact O-N 3.27Å; L142-L145 PolarHBondContact O-N 2.8Å; L142-R146 WeakPolarHBondContact O-CB 3.48Å; L142-R146 PolarHBondContact O-N 3.43Å
143A90.2Very high82.2Confident52 Ų5295.2 Ų95.243%0.4353%0.534SS..Hα-helixtrans-63.5-44.1173.900000111.5L139 I140 L145 R146 E147L139-A143 WeakPolarHBondContact O-CB 3.34Å; L139-A143 PolarHBondContact O-N 2.85Å; I140-A143 PolarHBondContact O-N 3.25Å; A143-L145 PolarHBondContact O-N 3.04Å; A143-R146 WeakPolarHBondContact O-CB 3.23Å; A143-R146 PolarHBondContact O-N 2.82Å; A143-E147 PolarHBondContact O-N 2.99Å; A143-E147 VanDerWaalsContact O-N 3.08Å
144A90.4Very high82.2Confident54 Ų5491 Ų9145%0.44653%0.525SS..Hα-helixtrans-62.3-42.3175.900000112.5I140 A141 R146 E147 Q148I140-A144 WeakPolarHBondContact O-CB 3.28Å; I140-A144 PolarHBondContact O-N 3.27Å; A141-A144 PolarHBondContact O-N 3.18Å; A144-R146 VanDerWaalsContact C-N 3.33Å; A144-R146 PolarHBondContact O-N 3.36Å; A144-E147 PolarHBondContact O-N 2.83Å; A144-Q148 WeakPolarHBondContact O-CG 3.3Å; A144-Q148 PolarHBondContact O-N 2.7Å
145L88.9Confident81.7Confident89 Ų8993 Ų9347%0.46653%0.533SS..Hα-helixtrans-62.8-37.8173.8-76.1168.2000112.2A141 L142 A143 Q148 L149A141-L145 WeakPolarHBondContact O-CG 3.49Å; A141-L145 PolarHBondContact O-N 3.38Å; L142-L145 PolarHBondContact O-N 2.8Å; A143-L145 PolarHBondContact O-N 3.04Å; L145-Q148 PolarHBondContact O-N 3.06Å; L145-L149 WeakPolarHBondContact O-CG 3.32Å; L145-L149 PolarHBondContact O-N 3.22Å
146R90.6Very high80.7Confident175 Ų175100.3 Ų100.366%0.6656%0.56SS**Hα-helixtrans-62.5-41.1175.1179.4177.7176.6-108.35.2112L142 A143 A144 L149 S150L142-R146 WeakPolarHBondContact O-CB 3.48Å; L142-R146 PolarHBondContact O-N 3.43Å; A143-R146 WeakPolarHBondContact O-CB 3.23Å; A143-R146 PolarHBondContact O-N 2.82Å; A144-R146 VanDerWaalsContact C-N 3.33Å; A144-R146 PolarHBondContact O-N 3.36Å; R146-L149 PolarHBondContact O-N 2.87Å; R146-S150 PolarHBondContact O-N 3.11Å; R146-S150 PolarHBondContact O-OG 3.15Å
147E86.6Confident79.4Confident111 Ų111103.3 Ų103.352%0.51958%0.576SS.*Hα-helixtrans-70.2-30.5175.6-62.5-49.7143.400112.9A143 A144 S150 A151A143-E147 PolarHBondContact O-N 2.99Å; A143-E147 VanDerWaalsContact O-N 3.08Å; A144-E147 PolarHBondContact O-N 2.83Å; E147-S150 WeakPolarHBondContact CA-OG 3.3Å; E147-S150 PolarHBondContact O-OG 3.23Å; E147-S150 PolarHBondContact OE2-OG 3.27Å; E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 3.32Å; E147-A151 VanDerWaalsContact O-N 3.07Å
148Q84.3Confident77.8Confident123 Ų123106 Ų10658%0.57559%0.591SS**Hα-helixtrans-68.5-41.1170.9-71.8-179.7-27.100111.9A144 L145 A151 L152A144-Q148 WeakPolarHBondContact O-CG 3.3Å; A144-Q148 PolarHBondContact O-N 2.7Å; L145-Q148 PolarHBondContact O-N 3.06Å; Q148-A151 PolarHBondContact O-N 3.43Å; Q148-L152 VanDerWaalsContact O-CG 3.27Å; Q148-L152 WeakPolarHBondContact O-CG 3.4Å; Q148-L152 PolarHBondContact O-N 2.68Å
149L87.1Confident76.3Confident116 Ų116105.2 Ų105.261%0.60760%0.603SS**Hα-helixtrans-69.4-35.2177-69.9170000112.5L145 R146 L152 C153L145-L149 WeakPolarHBondContact O-CG 3.32Å; L145-L149 PolarHBondContact O-N 3.22Å; R146-L149 PolarHBondContact O-N 2.87Å; L149-L152 PolarHBondContact O-N 3.24Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 3.07Å
150S85.7Confident74.7Confident56 Ų56105.7 Ų105.739%0.39262%0.621SS.*Hα-helixtrans-67-41.2173.668.10000111.4R146 E147 C153 S154R146-S150 PolarHBondContact O-N 3.11Å; R146-S150 PolarHBondContact O-OG 3.15Å; E147-S150 WeakPolarHBondContact CA-OG 3.3Å; E147-S150 PolarHBondContact O-OG 3.23Å; E147-S150 PolarHBondContact OE2-OG 3.27Å; S150-C153 PolarHBondContact O-N 3.2Å; S150-S154 PolarHBondContact O-N 3.45Å; S150-S154 PolarHBondContact O-OG 2.85Å
151A81.2Confident72.9Confident64 Ų64106.8 Ų106.853%0.52963%0.633SS.*Hα-helixtrans-61.8-43.3174.100000112.3E147 Q148 C153 S154E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 3.32Å; E147-A151 VanDerWaalsContact O-N 3.07Å; Q148-A151 PolarHBondContact O-N 3.43Å; A151-C153 PolarHBondContact O-N 3.09Å; A151-S154 WeakPolarHBondContact O-CB 3.34Å; A151-S154 PolarHBondContact O-N 3.25Å
152L75.6Confident71.1Confident146 Ų146111.2 Ų111.276%0.76466%0.655SS**Hα-helixtrans-66.8-21.2177.1-71.9169.3000113.9Q148 L149Q148-L152 VanDerWaalsContact O-CG 3.27Å; Q148-L152 WeakPolarHBondContact O-CG 3.4Å; Q148-L152 PolarHBondContact O-N 2.68Å; L149-L152 PolarHBondContact O-N 3.24Å
153C64.8Low69.3Low104 Ų104110.2 Ų110.270%0.70366%0.663SS**THydrogen-bonded Turntrans-96.12.9179.6-153.10000113.3L149 S150 A151 P155L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 3.07Å; S150-C153 PolarHBondContact O-N 3.2Å; A151-C153 PolarHBondContact O-N 3.09Å; C153-P155 WeakPolarHBondContact O-CD 3.13Å
154S65.1Low67.4Low81 Ų81113.5 Ų113.557%0.56668%0.68SS**SBendtrans-69.9119174.2-67.70000110.4S150 A151 Q156S150-S154 PolarHBondContact O-N 3.45Å; S150-S154 PolarHBondContact O-OG 2.85Å; A151-S154 WeakPolarHBondContact O-CB 3.34Å; A151-S154 PolarHBondContact O-N 3.25Å; S154-Q156 PolarHBondContact O-N 3.02Å; S154-Q156 VanDerWaalsContact O-N 3.16Å
155P58.9Low65.5Low107 Ų107117.1 Ų117.170%0.69570%0.702SS**  trans-66.7117.5180-16.329.7000110.6C153 L157C153-P155 WeakPolarHBondContact O-CD 3.13Å; P155-L157 HydrophobicContact CB-CB 4.49Å; P155-L157 HydrophobicContact CB-CD1 4.22Å; P155-L157 PolarHBondContact O-N 3.48Å
156Q51.4Low63.9Low197 Ų197117.4 Ų117.492%0.92172%0.717SS**  trans-67.986.4164.2-111.6-96.8-000108.1S154S154-Q156 PolarHBondContact O-N 3.02Å; S154-Q156 VanDerWaalsContact O-N 3.16Å
157L48.9Very low62.3Low135 Ų135116.2 Ų116.271%0.70772%0.724SS**  trans-140129.7179.8-107.2149.4000109.6P155P155-L157 HydrophobicContact CB-CB 4.49Å; P155-L157 HydrophobicContact CB-CD1 4.22Å; P155-L157 PolarHBondContact O-N 3.48Å
158T49.5Very low60.8Low138 Ų138118.3 Ų118.385%0.84774%0.738SS**  trans72.8142.7-174.679.40000114.7
159A51.1Low59.3Low95 Ų95115.4 Ų115.479%0.78574%0.742SS**  cis-137.4135.27.600000112.2
160A51.3Low57.8Low104 Ų104117.8 Ų117.886%0.8676%0.755SS**  trans-87.8132.6159.800000108.9
161T49.5Very low56.5Low134 Ų134126.4 Ų126.482%0.82278%0.779SS**  trans-63.4126.5-174.6-55.60000113.9
162T52.7Low54.9Low143 Ų143132.7 Ų132.788%0.87780%0.797SS**  -175.6144.3129.720.10000110.3
163A52.2Low53.8Low91 Ų91131 Ų13175%0.75280%0.798SS**  trans-116.6-169.6-174.200000110.5
164P49.3Very low53.1Low120 Ų120130.9 Ų130.978%0.77980%0.798SS**  -126.5156.2-65.735.2-22.3000112.4
165S51.9Low52.7Low130 Ų130137.7 Ų137.791%0.90981%0.813SS**  trans-145.5146.9167.1-78.90000112.6
166A55Low52.3Low96 Ų96140.6 Ų140.679%0.79382%0.822SS**  trans-63.3171.9-163.700000119.4
167D56.6Low52.7Low149 Ų149136.8 Ų136.880%0.79781%0.814SS**  trans107.9109.4137.4-122.649.1000120
168D54.8Low52.5Low155 Ų155135.9 Ų135.983%0.82982%0.818SS**  trans59.6153.4142-114.4-55.6000124
169G53.2Low52.7Low62 Ų62135.9 Ų135.964%0.63982%0.818SS**  trans109.383.3162.900000118.3
170D56.1Low52.8Low167 Ų167140.4 Ų140.489%0.89382%0.82SS**  trans31.3126.3141-101.2-44.6000121.8
171R56.9Low53.1Low236 Ų236141 Ų14189%0.89182%0.815SS**  158.5115.8104.2-169.9167.5-171.21651.5112.6
172Q48.7Very low53.1Low196 Ų196141 Ų14192%0.91682%0.815SS**  trans-78.3134.5179.6-71.6166.6-17.800113.1
173S52Low53.3Low111 Ų111139.9 Ų139.978%0.77681%0.813SS**  trans-151.5123.2150.7-170.90000109.2
174S50.3Low53Low102 Ų102140.3 Ų140.371%0.71381%0.811SS**  trans-111.8121.1-162.153.70000112.8
175Y55.8Low53Low224 Ų224143.1 Ų143.188%0.87882%0.819SS**  trans-141.9121.4158.3-72.2-75.3000110.3
176L51.4Low52.6Low167 Ų167140.6 Ų140.687%0.87481%0.814SS**PPolyproline II helixtrans-93.5145.7178.9-64.3167.3000110.6
177P59Low52Low118 Ų118145.1 Ų145.177%0.76682%0.818SS**PPolyproline II helixtrans-102.5130.4155.932.5-23.8000111.2
178C45.9Very low51.1Low115 Ų115147.1 Ų147.178%0.77782%0.823SS**PPolyproline II helixtrans-74.2136.1179.3-60.30000112.4
179T53.8Low50.5Low139 Ų139144.3 Ų144.385%0.85382%0.821SS**PPolyproline II helixtrans-100.3132.416548.10000110.2
180F53.2Low50Low189 Ų189146.4 Ų146.483%0.82983%0.833SS**  trans-105.7134.8170.1-77.1-81.9000109.9
181P56.1Low49.4Very low116 Ų116145.1 Ų145.175%0.75383%0.826SS**  trans-82.3143.4174.932.9-33000111.8
182V49.7Very low48.8Very low136 Ų136141.5 Ų141.582%0.82482%0.819SS**  trans-83.6133.6166.6166.70000109.1
183S57.1Low48.6Very low119 Ų119140.8 Ų140.883%0.83282%0.815SS**  trans-115.2130.3163.5-690000109.6
184S46.1Very low48.2Very low100 Ų100144.2 Ų144.270%0.69982%0.819SS**  trans-90.6140.1167.4-57.10000109.6
185D49.1Very low47.9Very low178 Ų178148.8 Ų148.895%0.95283%0.829SS**  trans179.4148.9139.6-93.9-28.3000110
186G44Very low47.3Very low78 Ų78144 Ų14480%0.80482%0.824SS**  trans124.473.6169.900000116.6
187Q43.2Very low46.6Very low190 Ų190139.7 Ų139.789%0.88882%0.82SS**  trans-72.4140.1149.2-87.7157.7-128.100109.2
188E37.7Very low45.7Very low192 Ų192142 Ų14290%0.89783%0.825SS**  -176.9165.2111.7-159.9138.5119.500111.9
189A40.5Very low45.6Very low95 Ų95142.7 Ų142.779%0.78582%0.819SS**  trans-55.1152.1-165.300000119.6
190A44.2Very low44.9Very low107 Ų107141.7 Ų141.788%0.88482%0.818SS**  -165.1145.2114.700000111.7
191N43.4Very low44.5Very low139 Ų139141.5 Ų141.574%0.74381%0.813SS**  trans-115.6159.9177.5-177.316.7000109.6
192Q44Very low43.9Very low160 Ų160143.6 Ų143.675%0.74882%0.818SS**  trans72.4143.2-178.9-57.7157.434.100112.4
193Q44.1Very low43.3Very low181 Ų181140.1 Ų140.185%0.84681%0.81SS**  cis-150153.834.6-155.8157-45.300112.6
194Q43.2Very low42.2Very low183 Ų183138.2 Ų138.286%0.85581%0.809SS**  trans-65.1138.8176.2-65.8156.8-23.200111
195Q44.3Very low41.8Very low198 Ų198145 Ų14593%0.92582%0.819SS**  trans-130.7120.2161-121177.133.200111.3G197Q195-G197 PolarHBondContact O-N 2.83Å
196T43Very low41.4Very low124 Ų124141.4 Ų141.476%0.76181%0.814SS**  trans-77.3115.5-178.348.30000110.9L198T196-L198 PolarHBondContact O-N 3.47Å
197G36.9Very low41.2Very low77 Ų77141.8 Ų141.879%0.79481%0.81SS**  trans-73.592.1172.100000112.3Q195 I199Q195-G197 PolarHBondContact O-N 2.83Å; G197-I199 PolarHBondContact O-N 3.37Å; G197-I199 VanDerWaalsContact O-N 3.15Å
198L40.7Very low41.1Very low166 Ų166135.9 Ų135.987%0.86980%0.8SS**  trans-73.996.4165.6-79.3170.8000109.8T196 S200T196-L198 PolarHBondContact O-N 3.47Å; L198-S200 PolarHBondContact O-N 3.04Å; L198-S200 VanDerWaalsContact O-N 3.12Å
199I44.1Very low41.1Very low130 Ų130133 Ų13367%0.66779%0.791SS**  trans-70.6101.9165.332173.3000109.5G197G197-I199 PolarHBondContact O-N 3.37Å; G197-I199 VanDerWaalsContact O-N 3.15Å
200S39.2Very low41.1Very low117 Ų117135.8 Ų135.882%0.81879%0.793SS**  trans-69.2125.8174.5-167.10000110.5L198L198-S200 PolarHBondContact O-N 3.04Å; L198-S200 VanDerWaalsContact O-N 3.12Å
201Y44Very low40.9Very low186 Ų186134.7 Ų134.773%0.72978%0.784SS**  trans-91.599.3172.3-62.1-74.7000109.3
202D44.5Very low40.8Very low160 Ų160136.3 Ų136.386%0.85679%0.792SS**  trans-71.4138.1174.3-163.15.3000111.3G204D202-G204 PolarHBondContact O-N 3.06Å
203G36.3Very low40.5Very low63 Ų63135 Ų13565%0.64980%0.795SS**  trans-79.681.6-168.400000112.6R205G203-R205 PolarHBondContact O-N 3.41Å
204G34.4Very low40.2Very low79 Ų79135.9 Ų135.981%0.81480%0.796SS**  trans-53.991.8173.500000113.3D202 A206D202-G204 PolarHBondContact O-N 3.06Å; G204-A206 PolarHBondContact O-N 2.85Å
205R37.4Very low39.8Very low241 Ų241131.1 Ų131.191%0.90979%0.788SS**  trans-73.786.1-174.3-165.8179.9-168.6-174.44.4111G203 A207G203-R205 PolarHBondContact O-N 3.41Å; R205-A207 PolarHBondContact O-N 3.2Å
206A41Very low39.7Very low103 Ų103127.7 Ų127.785%0.85178%0.784SS**  trans-67.989.3176.700000111.9G204 G208G204-A206 PolarHBondContact O-N 2.85Å; A206-G208 PolarHBondContact O-N 3.37Å
207A40.1Very low39.4Very low86 Ų86131.2 Ų131.271%0.71179%0.792SS**  trans-8398.4161.600000108.8R205R205-A207 PolarHBondContact O-N 3.2Å
208G39.4Very low39.5Very low67 Ų67131.3 Ų131.369%0.69179%0.793SS**  trans-98.183.1165.400000109.6A206A206-G208 PolarHBondContact O-N 3.37Å
209D38.2Very low39.4Very low132 Ų132127.6 Ų127.671%0.70679%0.794SS**  trans-90.8104.3162.3-79.4-61.7000107.1
210D41.6Very low39Very low153 Ų153125.1 Ų125.182%0.81880%0.801SS**  trans-126.7132.5173-93.1-56000110.9
211A39.4Very low39Very low84 Ų84125.7 Ų125.769%0.69481%0.805SS**  trans53.597.7162.700000119.1
212D40.8Very low38.9Very low172 Ų172122.6 Ų122.692%0.9281%0.811SS**  -133.294.9122.6-98.5-42.1000108
213V37.1Very low38.9Very low133 Ų133122.6 Ų122.681%0.80681%0.81SS**  trans-83.8114.3171.2169.20000107.9
214F39.2Very low39.6Very low200 Ų200125 Ų12588%0.87781%0.814SS**  trans-137.8120.9161.3-119.7-85.6000110.9
215A33.6Very low40Very low83 Ų83127 Ų12769%0.68681%0.812SS**  trans-81.9136.5176.900000110.7
216C43.4Very low40.2Very low125 Ų125123.3 Ų123.385%0.84581%0.81SS**  trans-144128160-81.50000108.1
217H36.7Very low40.8Very low199 Ų199125.2 Ų125.292%0.92181%0.811SS**  trans-78.4149.8175.9-67.7-18.1000111.5
218G39.3Very low41Very low79 Ų79128.1 Ų128.181%0.81482%0.815SS**  trans166.685.4174.500000111.9
219G37.1Very low40.9Very low87 Ų87133 Ų13390%0.89782%0.824SS**  trans-85.4171.3171.900000112.2
220G36.3Very low41.4Very low79 Ų79131 Ų13181%0.81482%0.821SS**  trans138.478.3170.500000114.8
221S38.9Very low41.6Very low129 Ų129131.3 Ų131.390%0.90282%0.822SS**  trans-47.6134.3174-42.70000115.7
222S43.2Very low41.8Very low121 Ų121132.4 Ų132.485%0.84683%0.831SS**  trans-169.3139.7142.1-1670000112.2
223L43.1Very low41.6Very low160 Ų160129.2 Ų129.284%0.83883%0.829SS**  trans-141.4166.6176.7-80.9173.1000109
224P50.6Low42Very low112 Ų112127.5 Ų127.573%0.72783%0.829SS**  cis-113.2-90.8-26.519.93.8000110.8
225P44Very low42.3Very low121 Ų121123.3 Ų123.379%0.78682%0.824SS**  cis-103.1-136.6-12.439.7-26.4000113.6
226L40.7Very low42.9Very low165 Ų165127.5 Ų127.586%0.86483%0.832SS**  trans-127.2137.6-169.9-78150.5000112.7
227T55.3Low43.1Very low142 Ų142131.9 Ų131.987%0.87183%0.83SS**  trans-161.7157139.652.80000106.8
228D43.6Very low43.6Very low148 Ų148127.5 Ų127.579%0.79182%0.822SS**  cis-141.6165-5.4-153.6-20.3000108.7
229L37.7Very low43.8Very low170 Ų170127.6 Ų127.689%0.8982%0.823SS**  trans-126.397.2-173.7-123.1167.9000110.9
230S48Very low44.2Very low90 Ų90129.4 Ų129.463%0.62982%0.822SS**  trans-149.8155.8168.955.60000112.8
231D46.3Very low44.8Very low158 Ų158130 Ų13085%0.84582%0.819SS**  trans61.695.1165.7-54.3-28000119.1
232A42.3Very low45.2Very low107 Ų107130.2 Ų130.288%0.88482%0.815SS**  172.895.710200000112
233A37.8Very low45.1Very low106 Ų106129.7 Ų129.788%0.87682%0.819SS**  trans-132.892.5168.600000110.6
234A44.5Very low45.3Very low97 Ų97127.3 Ų127.380%0.80282%0.815SS**  trans176.1102.5153.600000112.3
235S45.3Very low45.1Very low111 Ų111128 Ų12878%0.77682%0.823SS**  trans-158.8119.1138.9-97.20000111.5
236M47.6Very low45.4Very low171 Ų171126.8 Ų126.884%0.84282%0.817SS**  41.8136.9120.4-60.3-160.7179.100118.1
237R46.8Very low45.4Very low217 Ų217122.8 Ų122.882%0.81982%0.816SS**  cis171.4138.8-9.5-127.7175.3166.4-116.73.2102.2
238S46.6Very low44.8Very low107 Ų107125 Ų12575%0.74881%0.814SS**  trans39.9104.4154.457.10000119.4
239G44Very low44.6Very low81 Ų81123.3 Ų123.384%0.83581%0.813SS**  trans-141.482.6165.400000111.6
240S45.1Very low44.8Very low126 Ų126121 Ų12188%0.88181%0.81SS**  trans-90.8115.5177-41.70000109.9
241A49.5Very low44.5Very low91 Ų91121 Ų12175%0.75281%0.811SS**  trans-143.9102.2172.400000111.8
242T46.4Very low44.5Very low133 Ų133119.5 Ų119.582%0.81681%0.809SS**  trans14.6121.7147.152.90000119
243A42Very low44.5Very low111 Ų111121.8 Ų121.892%0.91781%0.806SS**  trans-63.5138.2158.900000111.3
244S47.7Very low44.7Very low110 Ų110122.5 Ų122.577%0.76980%0.802SS**  trans-137107.816556.60000109S246S244-S246 PolarHBondContact O-N 3.06Å
245S46Very low44.6Very low127 Ų127129.4 Ų129.489%0.88881%0.807SS**  trans-74.3119178.350.90000111.3
246S50.8Low44.6Very low94 Ų94129.6 Ų129.666%0.65781%0.806SS**  trans-124107.4162.552.30000109.2S244 F248S244-S246 PolarHBondContact O-N 3.06Å; S246-F248 PolarHBondContact O-N 3.47Å
247G39.8Very low44.2Very low82 Ų82129.8 Ų129.885%0.84580%0.804SS**  trans-74.5124.7178.400000110.9
248F42.5Very low43.9Very low188 Ų188129.2 Ų129.283%0.82581%0.808SS**  trans-10598.2163.7-79.8-81.3000109.2S246 C250S246-F248 PolarHBondContact O-N 3.47Å; F248-C250 PolarHBondContact O-N 2.89Å
249S40.1Very low43.6Very low112 Ų112131.3 Ų131.378%0.78380%0.804SS**  trans-66.9125.6164.1-177.30000108.7
250C41.2Very low43.6Very low121 Ų121133.2 Ų133.282%0.81880%0.802SS**  trans-126.288.6174.7-160.40000108.8F248F248-C250 PolarHBondContact O-N 2.89Å
251S42Very low43.5Very low92 Ų92133.2 Ų133.264%0.64379%0.792SS**PPolyproline II helixtrans-67.5128.3178.4-55.50000110.9L253S251-L253 PolarHBondContact O-N 3.27Å
252P47.5Very low43.1Very low126 Ų126136.7 Ų136.782%0.81880%0.798SS**PPolyproline II helixtrans-69121.5170.1-16.130.6000110.2
253L42Very low43.1Very low155 Ų155137.1 Ų137.181%0.81280%0.795SS**PPolyproline II helixtrans-70.9139.8173.5-69.7170.1000110.8S251S251-L253 PolarHBondContact O-N 3.27Å
254P42.2Very low42.9Very low121 Ų121137.3 Ų137.379%0.78679%0.787SS**PPolyproline II helixtrans-78.5145.3-179.732.1-34.4000112
255W41.8Very low42.7Very low242 Ų242139.4 Ų139.492%0.91778%0.783SS**PPolyproline II helixtrans-83.8145.7170.7-69.378.7000110.2
256P46Very low42.4Very low115 Ų115140.6 Ų140.675%0.74778%0.777SS**PPolyproline II helixtrans-71.6150.1-168.328.5-35.7000113.6
257E37.9Very low41.8Very low174 Ų174141.6 Ų141.681%0.81378%0.779SS**PPolyproline II helixtrans-70.5136.7176.9-58.1-175.5141.700112
258F40Very low41.7Very low205 Ų205144.8 Ų144.890%0.89978%0.777SS**  trans-145.789.4157.3-108.7-84.4000108.6
259F41.2Very low41.6Very low152 Ų152145.7 Ų145.767%0.66778%0.781SS**  trans-96.7145.9156.7-76.6-86.9000107.6
260P44.7Very low41.6Very low120 Ų120152.4 Ų152.478%0.77981%0.807SS**  -117.3154.196-7.626.9000113.3
261N42.8Very low41.6Very low126 Ų126154 Ų15467%0.67481%0.806SS**  trans-71.6151.2166.9-57.4-60.7000110.4
262D40.5Very low41.6Very low164 Ų164157.2 Ų157.288%0.87782%0.815SS**  trans171.3108.8138-86.5-26.9000107.6
263D46.6Very low41.2Very low143 Ų143158.9 Ų158.977%0.76582%0.815SS**  trans-156.3106168.2-133.4-28.1000110.9F265D263-F265 PolarHBondContact O-N 2.87Å
264P38.7Very low41.2Very low115 Ų115159.2 Ų159.275%0.74782%0.815SS**  trans-100.774.2-171.238-34000112.8
265F41.8Very low41.1Very low154 Ų154161.6 Ų161.668%0.67582%0.817SS**  trans-136.693.5168.8-89.4-82000112.4D263D263-F265 PolarHBondContact O-N 2.87Å
266I39.6Very low41.1Very low151 Ų151156.2 Ų156.277%0.77481%0.81SS**  trans-131.878.1165.6-56.6179.3000108.1
267T38.2Very low40.7Very low115 Ų115159.1 Ų159.171%0.70682%0.815SS**  trans-159.9147.2158.541.60000107.5
268D37.9Very low40.9Very low150 Ų150158 Ų15880%0.80282%0.815SS**  trans97.257.3177.8-55.5-12.1000116.9
269F39.9Very low41Very low207 Ų207154.1 Ų154.191%0.90881%0.808SS**  trans-157.677.7144.7-105-71.1000109.7
270L40.1Very low41Very low252 Ų252154.3 Ų154.3100%1.31982%0.821SS**  trans-116.40157-89.4174.3000107.8

Retrieved 270 of 270 residues in 112.5 ms (Link to these results)

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