A0A087YNM5_POEFO Loading...

Cell division cycle associated 4

AlphaFold DB , UniProt , Accession A0A087YNM5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 277 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
1M53.4Low60.8Low235 Ų235172.1 Ų172.1100%1.15886%0.864SS**  0102.70-73160.570.400106.9
2F54.9Low59.6Low200 Ų200170.9 Ų170.988%0.87786%0.863SS**PPolyproline II helixtrans-79.3134.7179.9-66-82.2000109.6K4F2-K4 PolarHBondContact O-N 3.45Å
3P62Low58.2Low124 Ų124165.6 Ų165.681%0.80585%0.851SS**PPolyproline II helixtrans-65.9124.2175.327.2-30.6000108.3G5P3-G5 PolarHBondContact O-N 3.03Å
4K67.6Low57.7Low206 Ų206158.8 Ų158.890%0.89684%0.842SS**PPolyproline II helixtrans-58.3119174.5-76.7155171.2167.60108.2F2 T6F2-K4 PolarHBondContact O-N 3.45Å; K4-T6 PolarHBondContact O-N 2.87Å
5G68.6Low56.7Low76 Ų76159.7 Ų159.778%0.78484%0.839SS**PPolyproline II helixtrans-60.1128.7177.300000111.4P3 K7P3-G5 PolarHBondContact O-N 3.03Å; G5-K7 PolarHBondContact O-N 3.13Å; G5-K7 VanDerWaalsContact O-N 3.08Å
6T69.9Low56.4Low133 Ų133161.7 Ų161.782%0.81684%0.843SS**  trans-67.8104.5174.6-57.20000109.1K4 R8K4-T6 PolarHBondContact O-N 2.87Å; T6-R8 PolarHBondContact O-N 3.32Å
7K70.7Confident56.3Low191 Ų191156.5 Ų156.583%0.8383%0.829SS**  trans-65104.7173.1-163.4-179-179.4-179.20108.1G5 K9G5-K7 PolarHBondContact O-N 3.13Å; G5-K7 VanDerWaalsContact O-N 3.08Å; K7-K9 PolarHBondContact O-N 3.3Å
8R72.5Confident56.4Low223 Ų223152.2 Ų152.284%0.84282%0.819SS**  trans-61.2108.8174.1-57.6-170-48-160.34.4107.9T6 F10T6-R8 PolarHBondContact O-N 3.32Å; R8-F10 PolarHBondContact O-N 3.5Å
9K61.5Low56.5Low189 Ų189148.7 Ų148.782%0.82281%0.806SS**  trans-66.4121164.3-75.7-89.2-173.7177.30106.1K7 S11K7-K9 PolarHBondContact O-N 3.3Å; K9-S11 PolarHBondContact O-N 3.49Å
10F47.1Very low57.2Low204 Ų204144.8 Ų144.890%0.89579%0.79SS**  trans-55.2118.3160.4-95.1-100.2000106.5R8 D12R8-F10 PolarHBondContact O-N 3.5Å; F10-D12 PolarHBondContact O-N 2.98Å
11S40.4Very low57.8Low112 Ų112142.6 Ų142.678%0.78378%0.783SS**  trans-68.8103.2167.6-55.20000106.4K9 S13K9-S11 PolarHBondContact O-N 3.49Å; S11-S13 PolarHBondContact O-N 3.27Å
12D46.7Very low58.6Low158 Ų158133.4 Ų133.485%0.84574%0.744SS**  trans-63.581.9161.2-178.333.2000107F10 G14F10-D12 PolarHBondContact O-N 2.98Å; D12-G14 PolarHBondContact O-N 3.42Å
13S41.7Very low59.4Low102 Ų102125.8 Ų125.871%0.71372%0.718SS**  trans-79.379.6169.870.50000107.4S11 E15S11-S13 PolarHBondContact O-N 3.27Å; S13-E15 PolarHBondContact O-N 2.68Å
14G50.2Low59.9Low70 Ų70121.9 Ų121.972%0.72270%0.697SS**  trans-64.782.6157.300000108.9D12D12-G14 PolarHBondContact O-N 3.42Å
15E43.8Very low60.4Low172 Ų172120 Ų12080%0.80468%0.684SS**  trans-128.889.2158.4-142.6179.6124.100106.8S13 A17S13-E15 PolarHBondContact O-N 2.68Å; E15-A17 PolarHBondContact O-N 3.37Å
16E51.6Low60.9Low192 Ų192120.4 Ų120.490%0.89767%0.671SS**  trans-61.268.7164.2-84.5-82.2132.100109.2A18E16-A18 PolarHBondContact O-N 3.2Å
17A54.3Low61.5Low74 Ų74119.6 Ų119.661%0.61266%0.661SS**  trans-88.490.6152.200000105E15E15-A17 PolarHBondContact O-N 3.37Å
18A57.5Low62.1Low78 Ų78113.8 Ų113.865%0.64565%0.645SS**  trans-40.3121.5169.400000107.6E16 S20E16-A18 PolarHBondContact O-N 3.2Å; A18-S20 PolarHBondContact O-N 3.42Å
19P59.8Low62.7Low87 Ų87106.8 Ų106.857%0.56563%0.63SS**  trans-52.7125.7-176.819.9-30.9000106.8A24P19-A24 HydrophobicContact CB-CB 4.47Å; P19-A24 HydrophobicContact CG-CB 4.44Å
20S69.3Low64Low70 Ų70101.4 Ų101.449%0.4962%0.616SS.*  trans-43134.1176.3163.10000107.8A18 A22 A23 A24A18-S20 PolarHBondContact O-N 3.42Å; S20-A22 CarbonylContact O-C 3.5Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 PolarHBondContact OG-N 2.95Å; S20-A23 WeakPolarHBondContact O-CA 3.24Å; S20-A23 WeakPolarHBondContact O-CB 3.42Å; S20-A23 PolarHBondContact O-N 3.33Å; S20-A24 PolarHBondContact O-N 3.11Å
21P69.9Low66.3Low98 Ų9896.1 Ų96.164%0.63659%0.591SS**Hα-helixtrans-56.7-18.6-175.720.9-32.7000112.3R25P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.29Å; P21-R25 PolarHBondContact O-N 3.45Å; P21-R25 PolarHBondContact O-NE 2.9Å
22A71.2Confident68.8Low43 Ų4392.5 Ų92.536%0.35557%0.565SS.*Hα-helixtrans-71.2-45.9168.300000113.3S20 R25 T26S20-A22 CarbonylContact O-C 3.5Å; S20-A22 PolarHBondContact O-N 3.01Å; S20-A22 PolarHBondContact OG-N 2.95Å; A22-R25 PolarHBondContact O-N 3.34Å; A22-T26 WeakPolarHBondContact O-CG2 3.22Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 3.08Å
23A71.2Confident71Confident40 Ų4091 Ų9133%0.33156%0.556SS.*Hα-helixtrans-65.9-39.2177.500000112.3S20 R25 T26 L27S20-A23 WeakPolarHBondContact O-CA 3.24Å; S20-A23 WeakPolarHBondContact O-CB 3.42Å; S20-A23 PolarHBondContact O-N 3.33Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 2.94Å; A23-T26 WeakPolarHBondContact CA-OG1 3.4Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 PolarHBondContact O-OG1 3.4Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.89Å
24A73.4Confident73.5Confident42 Ų4291.6 Ų91.635%0.34755%0.548SS..Hα-helixtrans-62.5-40.717400000111.8P19 S20 S28P19-A24 HydrophobicContact CB-CB 4.47Å; P19-A24 HydrophobicContact CG-CB 4.44Å; S20-A24 PolarHBondContact O-N 3.11Å; A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.76Å
25R76.3Confident75.7Confident166 Ų16688.6 Ų88.663%0.62652%0.515SS*.Hα-helixtrans-67.7-39.3175.3-80.3-178-71.3118.8-8113.1P21 A22 A23 S28 S29P21-R25 WeakPolarHBondContact O-CB 3.39Å; P21-R25 VanDerWaalsContact O-CG 3.31Å; P21-R25 WeakPolarHBondContact O-CG 3.29Å; P21-R25 PolarHBondContact O-N 3.45Å; P21-R25 PolarHBondContact O-NE 2.9Å; A22-R25 PolarHBondContact O-N 3.34Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 2.94Å; R25-S28 PolarHBondContact O-N 3.36Å; R25-S29 WeakPolarHBondContact O-CB 3.32Å; R25-S29 PolarHBondContact O-N 3.44Å
26T80.1Confident78.1Confident84 Ų8482.2 Ų82.252%0.51549%0.485SS..Hα-helixtrans-66.2-41.5176.451.20000111.5A22 A23 S29 S30A22-T26 WeakPolarHBondContact O-CG2 3.22Å; A22-T26 PolarHBondContact O-N 3.34Å; A22-T26 PolarHBondContact O-OG1 3.08Å; A23-T26 WeakPolarHBondContact CA-OG1 3.4Å; A23-T26 PolarHBondContact O-N 3.47Å; A23-T26 PolarHBondContact O-OG1 3.4Å; T26-S29 PolarHBondContact O-N 2.89Å; T26-S30 PolarHBondContact O-N 3.36Å; T26-S30 PolarHBondContact O-OG 3.17Å
27L82Confident80.2Confident117 Ų11776.5 Ų76.561%0.61347%0.466SS*.Hα-helixtrans-65.6-42.5176.6-70170.4000111.8A23 S29 S30 Y31A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.27Å; A23-L27 WeakPolarHBondContact O-CG 3.47Å; A23-L27 PolarHBondContact O-N 2.89Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-N 3.42Å; L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.38Å
28S83.1Confident82.3Confident69 Ų6976.9 Ų76.948%0.48346%0.458SS..Hα-helixtrans-61.3-40.5174.5-178.50000111.7A24 R25 S32A24-S28 VanDerWaalsContact O-CB 3.31Å; A24-S28 WeakPolarHBondContact O-CB 3.37Å; A24-S28 PolarHBondContact O-N 2.76Å; R25-S28 PolarHBondContact O-N 3.36Å; S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-OG 3.47Å
29S84.8Confident84.1Confident75 Ų7573.5 Ų73.552%0.52443%0.429SS..Hα-helixtrans-64.2-48.9174.3-177.80000112.4R25 T26 L27 Y31 S32 L33R25-S29 WeakPolarHBondContact O-CB 3.32Å; R25-S29 PolarHBondContact O-N 3.44Å; T26-S29 PolarHBondContact O-N 2.89Å; L27-S29 VanDerWaalsContact C-N 3.32Å; L27-S29 PolarHBondContact O-N 3.48Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.44Å; S29-S32 PolarHBondContact O-N 3.4Å; S29-S32 PolarHBondContact O-OG 3Å; S29-L33 PolarHBondContact O-N 3.36Å
30S90.7Very high85.8Confident77 Ų7772.9 Ų72.954%0.53842%0.421SS..Hα-helixtrans-60-42.9177.2-63.90000112.4T26 L27 L33 Q34T26-S30 PolarHBondContact O-N 3.36Å; T26-S30 PolarHBondContact O-OG 3.17Å; L27-S30 PolarHBondContact O-N 3.42Å; S30-L33 PolarHBondContact O-N 2.9Å; S30-Q34 WeakPolarHBondContact O-CB 3.32Å; S30-Q34 PolarHBondContact O-N 3.36Å
31Y94.6Very high87.2Confident93 Ų9374.5 Ų74.537%0.36542%0.422SS..Hα-helixtrans-65.7-39.8176.3179.7-112000112L27 S29 L33 Q34 R35 E73L27-Y31 VanDerWaalsContact O-CB 3.3Å; L27-Y31 WeakPolarHBondContact O-CB 3.35Å; L27-Y31 PolarHBondContact O-N 3.38Å; S29-Y31 VanDerWaalsContact C-N 3.33Å; S29-Y31 PolarHBondContact O-N 3.44Å; Y31-L33 PolarHBondContact O-N 2.92Å; Y31-Q34 PolarHBondContact O-N 3.37Å; Y31-R35 HydrophobicContact CE1-CG 4.11Å; Y31-R35 HydrophobicContact CE2-CG 4.16Å; Y31-R35 WeakPolarHBondContact O-CG 3.45Å; Y31-R35 PolarHBondContact O-N 2.78Å; Y31-E73 PolarHBondContact OH-OE1 3.28Å
32S92.9Very high88.4Confident35 Ų3570 Ų7025%0.24539%0.392CS..Hα-helixtrans-61.4-42.3175.477.40000112.4S28 S29 R35 Q36S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 3.09Å; S28-S32 PolarHBondContact O-OG 3.47Å; S29-S32 PolarHBondContact O-N 3.4Å; S29-S32 PolarHBondContact O-OG 3Å; S32-R35 PolarHBondContact O-N 3.43Å; S32-Q36 PolarHBondContact O-N 3.45Å; S32-Q36 VanDerWaalsContact O-N 3.08Å
33L91.9Very high89.6Confident126 Ų12671.2 Ų71.266%0.6639%0.393SS*.Hα-helixtrans-67.3-39.9176.7-17370.3000111.6S29 S30 Y31 Q36 S37S29-L33 PolarHBondContact O-N 3.36Å; S30-L33 PolarHBondContact O-N 2.9Å; Y31-L33 PolarHBondContact O-N 2.92Å; L33-Q36 PolarHBondContact O-N 2.84Å; L33-S37 PolarHBondContact O-N 3.11Å
34Q95.4Very high90.8Very high116 Ų11673.3 Ų73.354%0.54240%0.397SS..Hα-helixtrans-62-45.7175.9-179.5178.5-2.700111.5S30 Y31 Q36 S37 L38S30-Q34 WeakPolarHBondContact O-CB 3.32Å; S30-Q34 PolarHBondContact O-N 3.36Å; Y31-Q34 PolarHBondContact O-N 3.37Å; Q34-Q36 VanDerWaalsContact C-N 3.28Å; Q34-Q36 PolarHBondContact O-N 3.15Å; Q34-S37 PolarHBondContact O-N 3.09Å; Q34-L38 HydrophobicContact CG-CD1 4.18Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.27Å; Q34-L38 PolarHBondContact O-N 3.49Å
35R95Very high91.8Very high7 Ų774.8 Ų74.83%0.02640%0.396CS..Hα-helixtrans-58.3-42.5175.2-75.5-170.2-59.8-165.32.9111.3Y31 S32 L38 L39 I70 E73 M74 D77Y31-R35 HydrophobicContact CE1-CG 4.11Å; Y31-R35 HydrophobicContact CE2-CG 4.16Å; Y31-R35 WeakPolarHBondContact O-CG 3.45Å; Y31-R35 PolarHBondContact O-N 2.78Å; S32-R35 PolarHBondContact O-N 3.43Å; R35-L38 PolarHBondContact O-N 2.91Å; R35-L39 WeakPolarHBondContact O-CB 3.3Å; R35-L39 PolarHBondContact O-N 3.46Å; R35-I70 HydrophobicContact CB-CG2 4.05Å; R35-E73 PolarHBondContact NH1-O 2.96Å; R35-M74 HydrophobicContact CB-CG 4.44Å; R35-M74 HydrophobicContact CB-SD 4.42Å; R35-D77 IonicContact CZ-OD2 2.72Å; R35-D77 VanDerWaalsContact CZ-OD2 3.22Å; R35-D77 IonicContact NH1-OD2 3.62Å; R35-D77 PolarHBondContact NH1-OD2 2.95Å; R35-D77 IonicContact NH2-OD2 2.78Å; R35-D77 PolarHBondContact NH2-OD2 3.39Å
36Q95.1Very high92.7Very high38 Ų3868.7 Ų68.718%0.17838%0.376CS..Hα-helixtrans-61.9-47.8176.6-179.15231.200112.4S32 L33 Q34 L38 L39 D40 M83S32-Q36 PolarHBondContact O-N 3.45Å; S32-Q36 VanDerWaalsContact O-N 3.08Å; L33-Q36 PolarHBondContact O-N 2.84Å; Q34-Q36 VanDerWaalsContact C-N 3.28Å; Q34-Q36 PolarHBondContact O-N 3.15Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.22Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-L39 VanDerWaalsContact O-N 3.13Å; Q36-D40 VanDerWaalsContact NE2-CG 3.26Å; Q36-D40 PolarHBondContact NE2-OD1 2.92Å; Q36-D40 PolarHBondContact NE2-OD2 3.31Å; Q36-D40 VanDerWaalsContact NE2-OD2 3.11Å; Q36-D40 PolarHBondContact O-N 3.36Å; Q36-M83 HydrophobicContact CB-CE 4.31Å; Q36-M83 VanDerWaalsContact CD-CE 3.49Å; Q36-M83 HydrophobicContact CG-CE 3.94Å; Q36-M83 PolarHBondContact OE1-SD 3.44Å
37S95.9Very high93.3Very high71 Ų7169.9 Ų69.950%0.49738%0.375SS..Hα-helixtrans-61.4-38.8177.4-179.10000112.4L33 Q34 D40 M41L33-S37 PolarHBondContact O-N 3.11Å; Q34-S37 PolarHBondContact O-N 3.09Å; S37-D40 PolarHBondContact O-N 3.03Å; S37-M41 WeakPolarHBondContact O-CB 3.4Å; S37-M41 WeakPolarHBondContact O-CG 3.37Å; S37-M41 PolarHBondContact O-N 3.43Å
38L97.3Very high93.8Very high83 Ų8369 Ų6944%0.43537%0.371SS..Hα-helixtrans-67-36.6175.1-75.1174000112.5Q34 R35 Q36 S42 I70Q34-L38 HydrophobicContact CG-CD1 4.18Å; Q34-L38 WeakPolarHBondContact O-CB 3.32Å; Q34-L38 WeakPolarHBondContact O-CG 3.27Å; Q34-L38 PolarHBondContact O-N 3.49Å; R35-L38 PolarHBondContact O-N 2.91Å; Q36-L38 VanDerWaalsContact C-N 3.29Å; Q36-L38 PolarHBondContact O-N 3.22Å; L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 2.91Å; L38-S42 PolarHBondContact O-OG 3.32Å; L38-I70 HydrophobicContact CB-CD1 3.84Å
39L96.6Very high94.1Very high7 Ų765.7 Ų65.74%0.03735%0.348CS..Hα-helixtrans-62.3-51174.2179.966.5000110.2R35 Q36 M41 S42 L43 V67 I70 M74 W80R35-L39 WeakPolarHBondContact O-CB 3.3Å; R35-L39 PolarHBondContact O-N 3.46Å; Q36-L39 WeakPolarHBondContact O-CB 3.48Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-L39 VanDerWaalsContact O-N 3.13Å; L39-M41 PolarHBondContact O-N 2.86Å; L39-S42 CarbonylContact O-C 3.59Å; L39-S42 WeakPolarHBondContact O-CA 3.36Å; L39-S42 PolarHBondContact O-N 3.35Å; L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-V67 HydrophobicContact CD1-CB 4.46Å; L39-V67 HydrophobicContact CD1-CG1 3.88Å; L39-V67 HydrophobicContact CD1-CG2 4.41Å; L39-I70 HydrophobicContact CB-CG2 4.13Å; L39-M74 HydrophobicContact CD2-SD 4.37Å; L39-W80 HydrophobicContact CD2-CZ3 3.75Å
40D96Very high94.1Very high73 Ų7367.9 Ų67.939%0.3935%0.35SS..Hα-helixtrans-57.6-49179.3-67.1-30.6000111.3Q36 S37 S42 L43 I44Q36-D40 VanDerWaalsContact NE2-CG 3.26Å; Q36-D40 PolarHBondContact NE2-OD1 2.92Å; Q36-D40 PolarHBondContact NE2-OD2 3.31Å; Q36-D40 VanDerWaalsContact NE2-OD2 3.11Å; Q36-D40 PolarHBondContact O-N 3.36Å; S37-D40 PolarHBondContact O-N 3.03Å; D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 2.72Å; D40-L43 PolarHBondContact O-N 2.89Å; D40-I44 WeakPolarHBondContact O-CG1 3.44Å; D40-I44 PolarHBondContact O-N 3.5Å
41M96.8Very high94Very high105 Ų10571.6 Ų71.652%0.51736%0.36SS..Hα-helixtrans-59.9-37.9175-78.6-62.7-63.500112.4S37 L39 K45S37-M41 WeakPolarHBondContact O-CB 3.4Å; S37-M41 WeakPolarHBondContact O-CG 3.37Å; S37-M41 PolarHBondContact O-N 3.43Å; L39-M41 PolarHBondContact O-N 2.86Å; M41-K45 WeakPolarHBondContact O-CB 3.31Å; M41-K45 WeakPolarHBondContact O-CE 3.42Å; M41-K45 VanDerWaalsContact O-CG 3.26Å; M41-K45 WeakPolarHBondContact O-CG 3.37Å; M41-K45 PolarHBondContact O-N 2.95Å
42S97Very high93.7Very high2 Ų271.6 Ų71.61%0.01437%0.366CS..Hα-helixtrans-72.5-36.8-179.4-60.40000112.3L38 L39 D40 K45 L46 I63L38-S42 WeakPolarHBondContact O-CB 3.25Å; L38-S42 PolarHBondContact O-N 2.91Å; L38-S42 PolarHBondContact O-OG 3.32Å; L39-S42 CarbonylContact O-C 3.59Å; L39-S42 WeakPolarHBondContact O-CA 3.36Å; L39-S42 PolarHBondContact O-N 3.35Å; D40-S42 VanDerWaalsContact C-N 3.27Å; D40-S42 PolarHBondContact O-N 2.72Å; S42-K45 PolarHBondContact O-N 2.78Å; S42-L46 WeakPolarHBondContact O-CB 3.38Å; S42-L46 PolarHBondContact O-N 3.47Å; S42-I63 WeakPolarHBondContact O-CG2 3.3Å
43L96.1Very high93.4Very high70 Ų7077.1 Ų77.137%0.36640%0.398SS..Hα-helixtrans-65.2-44173.1-68.6173000111.5L39 D40 K45 L46 Q47 V67L39-L43 HydrophobicContact CD1-CD1 4.34Å; L39-L43 HydrophobicContact CD1-CG 4.35Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.48Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 2.93Å; D40-L43 PolarHBondContact O-N 2.89Å; L43-K45 PolarHBondContact O-N 3.49Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.96Å; L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 3.34Å; L43-V67 HydrophobicContact CD2-CG1 4.23Å; L43-V67 HydrophobicContact CD2-CG2 4.29Å
44I95.7Very high93.1Very high83 Ų8379.1 Ų79.143%0.42640%0.404SS..Hα-helixtrans-60.4-47.3174-66.5162.5000110.3D40 L46 Q47 L48D40-I44 WeakPolarHBondContact O-CG1 3.44Å; D40-I44 PolarHBondContact O-N 3.5Å; I44-L46 PolarHBondContact O-N 3.48Å; I44-Q47 PolarHBondContact O-N 2.86Å; I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.3Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.48Å
45K95.4Very high92.6Very high73 Ų7377.5 Ų77.532%0.31740%0.404SS..Hα-helixtrans-58.9-36.9177.3-78.1-179.9-57.4-177.50112M41 S42 L43 C49 I63M41-K45 WeakPolarHBondContact O-CB 3.31Å; M41-K45 WeakPolarHBondContact O-CE 3.42Å; M41-K45 VanDerWaalsContact O-CG 3.26Å; M41-K45 WeakPolarHBondContact O-CG 3.37Å; M41-K45 PolarHBondContact O-N 2.95Å; S42-K45 PolarHBondContact O-N 2.78Å; L43-K45 PolarHBondContact O-N 3.49Å; K45-C49 VanDerWaalsContact O-CB 3.27Å; K45-C49 WeakPolarHBondContact O-CB 3.2Å; K45-C49 PolarHBondContact O-N 3.37Å; K45-I63 HydrophobicContact CB-CD1 3.92Å; K45-I63 HydrophobicContact CB-CG1 4.41Å; K45-I63 HydrophobicContact CB-CG2 4.34Å
46L93.3Very high92.4Very high39 Ų3981.5 Ų81.520%0.20443%0.425CS..Hα-helixtrans-67.5-49.2177.9-169.263.3000110.3S42 L43 I44 L48 C49 H50 I63S42-L46 WeakPolarHBondContact O-CB 3.38Å; S42-L46 PolarHBondContact O-N 3.47Å; L43-L46 WeakPolarHBondContact O-CB 3.33Å; L43-L46 PolarHBondContact O-N 2.96Å; I44-L46 PolarHBondContact O-N 3.48Å; L46-L48 PolarHBondContact O-N 3.31Å; L46-C49 WeakPolarHBondContact O-CA 2.97Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.04Å; L46-H50 PolarHBondContact O-CD2 2.85Å; L46-H50 PolarHBondContact O-N 2.73Å; L46-H50 VanDerWaalsContact O-N 3.16Å; L46-I63 HydrophobicContact CB-CG2 3.8Å; L46-I63 HydrophobicContact CD1-CB 4.34Å; L46-I63 HydrophobicContact CD1-CG2 4.1Å; L46-I63 HydrophobicContact CG-CG2 4.48Å
47Q92.8Very high92.3Very high108 Ų10886 Ų8651%0.50545%0.45SS..Hα-helixtrans-55.8-49.4176-72.1172.9-27.400111.7L43 I44 C49 H50 M51L43-Q47 WeakPolarHBondContact O-CG 3.4Å; L43-Q47 PolarHBondContact O-N 3.34Å; I44-Q47 PolarHBondContact O-N 2.86Å; Q47-C49 VanDerWaalsContact C-N 3.27Å; Q47-C49 PolarHBondContact O-N 3.4Å; Q47-H50 PolarHBondContact O-N 2.67Å; Q47-H50 VanDerWaalsContact O-N 3.1Å; Q47-M51 WeakPolarHBondContact O-CG 3.45Å; Q47-M51 PolarHBondContact O-N 3.2Å
48L93.4Very high92.3Very high99 Ų9986.6 Ų86.652%0.51845%0.453SS..Hα-helixtrans-63.1-34.8176.8-66.9175000112.2I44 L46 H50 M51 L52I44-L48 HydrophobicContact CG2-CD1 3.87Å; I44-L48 HydrophobicContact CG2-CG 4.3Å; I44-L48 WeakPolarHBondContact O-CG 3.44Å; I44-L48 PolarHBondContact O-N 3.48Å; L46-L48 PolarHBondContact O-N 3.31Å; L48-H50 PolarHBondContact O-N 3.01Å; L48-M51 PolarHBondContact O-N 3.37Å; L48-M51 VanDerWaalsContact O-N 3.1Å; L48-L52 PolarHBondContact O-N 3.42Å
49C89.1Confident92.2Very high0 Ų087.6 Ų87.60%045%0.451CS..Hα-helixtrans-58.7-36.3174.7-122.60000112.2K45 L46 Q47 M51 R59 I63K45-C49 VanDerWaalsContact O-CB 3.27Å; K45-C49 WeakPolarHBondContact O-CB 3.2Å; K45-C49 PolarHBondContact O-N 3.37Å; L46-C49 WeakPolarHBondContact O-CA 2.97Å; L46-C49 WeakPolarHBondContact O-CB 3.46Å; L46-C49 PolarHBondContact O-N 3.04Å; Q47-C49 VanDerWaalsContact C-N 3.27Å; Q47-C49 PolarHBondContact O-N 3.4Å; C49-M51 VanDerWaalsContact C-N 3.34Å; C49-R59 PolarHBondContact SG-NH1 3.35Å; C49-I63 HydrophobicContact CB-CD1 4.49Å
50H85.4Confident92.2Very high121 Ų12188.1 Ų88.156%0.5646%0.455SS*.Hα-helixtrans-78.6-16.6177.8-77.2-79.5000113.7L46 Q47 L48L46-H50 PolarHBondContact O-CD2 2.85Å; L46-H50 PolarHBondContact O-N 2.73Å; L46-H50 VanDerWaalsContact O-N 3.16Å; Q47-H50 PolarHBondContact O-N 2.67Å; Q47-H50 VanDerWaalsContact O-N 3.1Å; L48-H50 PolarHBondContact O-N 3.01Å
51M88Confident92.2Very high154 Ų15487.9 Ų87.976%0.75946%0.456SS*.Hα-helixtrans-94-6.5178.3-65.5-17371.900113.8Q47 L48 C49Q47-M51 WeakPolarHBondContact O-CG 3.45Å; Q47-M51 PolarHBondContact O-N 3.2Å; L48-M51 PolarHBondContact O-N 3.37Å; L48-M51 VanDerWaalsContact O-N 3.1Å; C49-M51 VanDerWaalsContact C-N 3.34Å
52L88.3Confident92.2Very high94 Ų9487.9 Ų87.949%0.49246%0.458SS..SBendtrans-68.8144.7175.1-74.9161.2000110.5L48 E54L48-L52 PolarHBondContact O-N 3.42Å; L52-E54 PolarHBondContact O-N 3.11Å
53V87.5Confident92.2Very high151 Ų15188.3 Ų88.392%0.91546%0.46SS*.SBendtrans-55.9-33.3176.3177.40000111.2
54E85.7Confident92.3Very high168 Ų16886.6 Ų86.679%0.78546%0.455SS*.SBendtrans-130.9108.6170.1-69-168.6149.500111L52 N56L52-E54 PolarHBondContact O-N 3.11Å; E54-N56 PolarHBondContact O-N 3.1Å
55P83.7Confident92.4Very high82 Ų8286 Ų8653%0.53245%0.453SS..  trans-74.8123.5177.828.2-32.6000111L57P55-L57 PolarHBondContact O-N 3.4Å
56N91.6Very high92.5Very high90 Ų9085.4 Ų85.448%0.48146%0.456SS..  trans-81.8113.9174.9-176.2-75.9000110.9E54 C58 R59 S60E54-N56 PolarHBondContact O-N 3.1Å; N56-C58 PolarHBondContact O-N 3.47Å; N56-C58 WeakPolarHBondContact OD1-CA 2.78Å; N56-C58 VanDerWaalsContact OD1-CB 3.3Å; N56-C58 WeakPolarHBondContact OD1-CB 3.36Å; N56-C58 PolarHBondContact OD1-N 3.39Å; N56-C58 VanDerWaalsContact OD1-N 3.1Å; N56-R59 HydrophobicContact CB-CB 3.96Å; N56-R59 PolarHBondContact O-N 2.86Å; N56-R59 PolarHBondContact OD1-N 3.07Å; N56-S60 PolarHBondContact O-N 3.38Å; N56-S60 PolarHBondContact O-OG 2.84Å
57L93.5Very high92.7Very high133 Ų13384.5 Ų84.570%0.69645%0.452SS*.Hα-helixtrans-58.1-44.5-178.518063.5000112.6P55 R59 S60 V61P55-L57 PolarHBondContact O-N 3.4Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 3.09Å; L57-S60 PolarHBondContact O-N 3.22Å; L57-V61 HydrophobicContact CD1-CG2 3.86Å; L57-V61 HydrophobicContact CG-CG2 4.18Å; L57-V61 WeakPolarHBondContact O-CB 3.49Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.08Å; L57-V61 PolarHBondContact O-N 2.78Å
58C95.7Very high92.9Very high83 Ų8385.4 Ų85.456%0.56145%0.451SS*.Hα-helixtrans-58.1-45.8178.8179.90000110.7N56 V61 L62N56-C58 PolarHBondContact O-N 3.47Å; N56-C58 WeakPolarHBondContact OD1-CA 2.78Å; N56-C58 VanDerWaalsContact OD1-CB 3.3Å; N56-C58 WeakPolarHBondContact OD1-CB 3.36Å; N56-C58 PolarHBondContact OD1-N 3.39Å; N56-C58 VanDerWaalsContact OD1-N 3.1Å; C58-V61 PolarHBondContact O-N 2.91Å; C58-L62 WeakPolarHBondContact O-CB 3.13Å; C58-L62 VanDerWaalsContact O-CG 3.27Å; C58-L62 WeakPolarHBondContact O-CG 3.27Å; C58-L62 PolarHBondContact O-N 3.28Å
59R95.6Very high93.1Very high105 Ų10585.2 Ų85.240%0.39645%0.447SS..Hα-helixtrans-62.6-46.7176.8-167177.8-173.1-89.53.2111.9C49 N56 L57 L62 I63C49-R59 PolarHBondContact SG-NH1 3.35Å; N56-R59 HydrophobicContact CB-CB 3.96Å; N56-R59 PolarHBondContact O-N 2.86Å; N56-R59 PolarHBondContact OD1-N 3.07Å; L57-R59 VanDerWaalsContact C-N 3.31Å; L57-R59 PolarHBondContact O-N 3.09Å; R59-L62 PolarHBondContact O-N 3.44Å; R59-I63 HydrophobicContact CG-CD1 3.9Å; R59-I63 WeakPolarHBondContact O-CD1 3.32Å; R59-I63 VanDerWaalsContact O-CG1 3.23Å; R59-I63 WeakPolarHBondContact O-CG1 3.18Å; R59-I63 PolarHBondContact O-N 2.85Å
60S94.9Very high93.5Very high18 Ų1885.8 Ų85.813%0.12645%0.45CS..Hα-helixtrans-63.6-41.5179-62.50000112.3N56 L57 I63 A64N56-S60 PolarHBondContact O-N 3.38Å; N56-S60 PolarHBondContact O-OG 2.84Å; L57-S60 PolarHBondContact O-N 3.22Å; S60-I63 PolarHBondContact O-N 3.23Å; S60-A64 VanDerWaalsContact O-CB 3.27Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.03Å
61V96.6Very high93.9Very high67 Ų6783.4 Ų83.441%0.40644%0.439SS..Hα-helixtrans-64.7-44176.5170.20000111.1L57 C58 A64 N65L57-V61 HydrophobicContact CD1-CG2 3.86Å; L57-V61 HydrophobicContact CG-CG2 4.18Å; L57-V61 WeakPolarHBondContact O-CB 3.49Å; L57-V61 VanDerWaalsContact O-CG2 3.26Å; L57-V61 WeakPolarHBondContact O-CG2 3.08Å; L57-V61 PolarHBondContact O-N 2.78Å; C58-V61 PolarHBondContact O-N 2.91Å; V61-A64 PolarHBondContact O-N 3.42Å; V61-N65 VanDerWaalsContact O-CB 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.32Å; V61-N65 PolarHBondContact O-N 3.05Å; V61-N65 PolarHBondContact O-ND2 3.37Å
62L97.7Very high94.3Very high106 Ų10680.4 Ų80.456%0.55542%0.423SS*.Hα-helixtrans-59.9-47.7176.2-75.1171.1000111.5C58 R59 N65 T66C58-L62 WeakPolarHBondContact O-CB 3.13Å; C58-L62 VanDerWaalsContact O-CG 3.27Å; C58-L62 WeakPolarHBondContact O-CG 3.27Å; C58-L62 PolarHBondContact O-N 3.28Å; R59-L62 PolarHBondContact O-N 3.44Å; L62-N65 PolarHBondContact O-N 3.35Å; L62-T66 PolarHBondContact O-N 2.93Å; L62-T66 PolarHBondContact O-OG1 3.34Å; L62-T66 VanDerWaalsContact O-OG1 3.07Å
63I97Very high94.7Very high11 Ų1178.5 Ų78.56%0.05641%0.412CS..Hα-helixtrans-62.2-47.1178.5-64.5161.5000110.4S42 K45 L46 C49 R59 S60 N65 T66 V67S42-I63 WeakPolarHBondContact O-CG2 3.3Å; K45-I63 HydrophobicContact CB-CD1 3.92Å; K45-I63 HydrophobicContact CB-CG1 4.41Å; K45-I63 HydrophobicContact CB-CG2 4.34Å; L46-I63 HydrophobicContact CB-CG2 3.8Å; L46-I63 HydrophobicContact CD1-CB 4.34Å; L46-I63 HydrophobicContact CD1-CG2 4.1Å; L46-I63 HydrophobicContact CG-CG2 4.48Å; C49-I63 HydrophobicContact CB-CD1 4.49Å; R59-I63 HydrophobicContact CG-CD1 3.9Å; R59-I63 WeakPolarHBondContact O-CD1 3.32Å; R59-I63 VanDerWaalsContact O-CG1 3.23Å; R59-I63 WeakPolarHBondContact O-CG1 3.18Å; R59-I63 PolarHBondContact O-N 2.85Å; S60-I63 PolarHBondContact O-N 3.23Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 PolarHBondContact O-N 2.94Å; I63-T66 WeakPolarHBondContact O-CB 3.42Å; I63-T66 PolarHBondContact O-N 2.86Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.33Å
64A96.6Very high95Very high33 Ų3371.4 Ų71.427%0.27337%0.369SS..Hα-helixtrans-62.2-38.8178.900000112.4S60 V61 V67 R68S60-A64 VanDerWaalsContact O-CB 3.27Å; S60-A64 WeakPolarHBondContact O-CB 3.37Å; S60-A64 PolarHBondContact O-N 3.03Å; V61-A64 PolarHBondContact O-N 3.42Å; A64-V67 PolarHBondContact O-N 2.92Å; A64-R68 PolarHBondContact O-N 3.35Å
65N97.8Very high95.3Very high71 Ų7166.1 Ų66.138%0.3835%0.348SS..Hα-helixtrans-67-39.6175.5-72.7-13.1000111.6V61 L62 I63 R68 Q69V61-N65 VanDerWaalsContact O-CB 3.3Å; V61-N65 WeakPolarHBondContact O-CB 3.32Å; V61-N65 PolarHBondContact O-N 3.05Å; V61-N65 PolarHBondContact O-ND2 3.37Å; L62-N65 PolarHBondContact O-N 3.35Å; I63-N65 VanDerWaalsContact C-N 3.32Å; I63-N65 PolarHBondContact O-N 2.94Å; N65-R68 PolarHBondContact O-N 3.2Å; N65-R68 PolarHBondContact OD1-NH1 3.46Å; N65-Q69 WeakPolarHBondContact O-CB 3.27Å; N65-Q69 PolarHBondContact O-N 3.18Å
66T97.9Very high95.8Very high61 Ų6169.4 Ų69.437%0.37436%0.356SS..Hα-helixtrans-61.5-43.2172.4-59.70000111.7L62 I63 Q69 I70L62-T66 PolarHBondContact O-N 2.93Å; L62-T66 PolarHBondContact O-OG1 3.34Å; L62-T66 VanDerWaalsContact O-OG1 3.07Å; I63-T66 WeakPolarHBondContact O-CB 3.42Å; I63-T66 PolarHBondContact O-N 2.86Å; T66-Q69 PolarHBondContact O-N 2.91Å; T66-I70 HydrophobicContact CG2-CD1 3.87Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.41Å; T66-I70 PolarHBondContact O-N 3.37Å
67V97.6Very high95.7Very high20 Ų2069.5 Ų69.512%0.12136%0.357CS..Hα-helixtrans-60.5-48.2175.5170.20000110.8L39 L43 I63 A64 Q69 I70 Q71L39-V67 HydrophobicContact CD1-CB 4.46Å; L39-V67 HydrophobicContact CD1-CG1 3.88Å; L39-V67 HydrophobicContact CD1-CG2 4.41Å; L43-V67 HydrophobicContact CD2-CG1 4.23Å; L43-V67 HydrophobicContact CD2-CG2 4.29Å; I63-V67 WeakPolarHBondContact O-CG2 3.43Å; I63-V67 PolarHBondContact O-N 3.33Å; A64-V67 PolarHBondContact O-N 2.92Å; V67-Q69 PolarHBondContact O-N 3.4Å; V67-I70 PolarHBondContact O-N 3Å; V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.18Å
68R97.4Very high95.5Very high126 Ų12664.4 Ų64.448%0.47534%0.336SS..Hα-helixtrans-59.5-46.5178.5-170.9-173.5-58.81075.4111.7A64 N65 I70 Q71 E72A64-R68 PolarHBondContact O-N 3.35Å; N65-R68 PolarHBondContact O-N 3.2Å; N65-R68 PolarHBondContact OD1-NH1 3.46Å; R68-I70 PolarHBondContact O-N 2.93Å; R68-Q71 PolarHBondContact O-N 3.42Å; R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 HydrophobicContact CG-CG 4.42Å; R68-E72 VanDerWaalsContact CG-OE1 3.27Å; R68-E72 WeakPolarHBondContact CG-OE1 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 WeakPolarHBondContact O-CG 3.36Å; R68-E72 PolarHBondContact O-N 3.29Å
69Q97.8Very high95.2Very high96 Ų9662.2 Ų62.245%0.44932%0.321SS..Hα-helixtrans-57.8-49.1178.9-178.76340.300111.4N65 T66 V67 Q71 E72 E73N65-Q69 WeakPolarHBondContact O-CB 3.27Å; N65-Q69 PolarHBondContact O-N 3.18Å; T66-Q69 PolarHBondContact O-N 2.91Å; V67-Q69 PolarHBondContact O-N 3.4Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 2.97Å; Q69-E72 PolarHBondContact O-N 3.4Å; Q69-E73 WeakPolarHBondContact O-CG 3.32Å; Q69-E73 PolarHBondContact O-N 3.13Å
70I96.6Very high95Very high11 Ų1160.3 Ų60.36%0.05631%0.314CS..Hα-helixtrans-63.8-41.2179.4-66.5167.4000110.4R35 L38 L39 T66 V67 R68 E73 M74R35-I70 HydrophobicContact CB-CG2 4.05Å; L38-I70 HydrophobicContact CB-CD1 3.84Å; L39-I70 HydrophobicContact CB-CG2 4.13Å; T66-I70 HydrophobicContact CG2-CD1 3.87Å; T66-I70 VanDerWaalsContact O-CG1 3.32Å; T66-I70 WeakPolarHBondContact O-CG1 3.41Å; T66-I70 PolarHBondContact O-N 3.37Å; V67-I70 PolarHBondContact O-N 3Å; R68-I70 PolarHBondContact O-N 2.93Å; I70-E73 PolarHBondContact O-N 3.35Å; I70-M74 HydrophobicContact CG2-CG 4.23Å; I70-M74 HydrophobicContact CG2-SD 3.76Å; I70-M74 WeakPolarHBondContact O-CB 3.26Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.41Å; I70-M74 PolarHBondContact O-N 3.08Å
71Q95.6Very high94.8Very high72 Ų7263.9 Ų63.934%0.33633%0.328SS..Hα-helixtrans-64-41.3177.8-170.9177.83.600111.9V67 R68 Q69 M74 T75 W80V67-Q71 WeakPolarHBondContact O-CB 3.48Å; V67-Q71 PolarHBondContact O-N 3.18Å; R68-Q71 PolarHBondContact O-N 3.42Å; Q69-Q71 VanDerWaalsContact C-N 3.32Å; Q69-Q71 PolarHBondContact O-N 2.97Å; Q71-M74 PolarHBondContact O-N 2.97Å; Q71-T75 VanDerWaalsContact O-CB 3.29Å; Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 PolarHBondContact O-N 3.49Å; Q71-T75 PolarHBondContact O-OG1 2.86Å; Q71-W80 HydrophobicContact CG-CD2 3.87Å; Q71-W80 HydrophobicContact CG-CE3 3.97Å; Q71-W80 HydrophobicContact CG-CH2 3.99Å; Q71-W80 HydrophobicContact CG-CZ2 3.9Å; Q71-W80 HydrophobicContact CG-CZ3 4.02Å
72E95.9Very high94.4Very high90 Ų9066.5 Ų66.542%0.42134%0.339SS..Hα-helixtrans-62.2-46.5174.5-76.7170.7-164.900111.2R68 Q69 M74 T75 Q76R68-E72 WeakPolarHBondContact CD-OE1 3.44Å; R68-E72 HydrophobicContact CG-CG 4.42Å; R68-E72 VanDerWaalsContact CG-OE1 3.27Å; R68-E72 WeakPolarHBondContact CG-OE1 3.3Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 WeakPolarHBondContact O-CG 3.36Å; R68-E72 PolarHBondContact O-N 3.29Å; Q69-E72 PolarHBondContact O-N 3.4Å; E72-M74 PolarHBondContact O-N 2.91Å; E72-T75 PolarHBondContact O-N 2.84Å; E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3Å; E72-Q76 PolarHBondContact O-NE2 3.43Å
73E95.4Very high93.8Very high54 Ų5463.8 Ų63.825%0.25232%0.324SS..Hα-helixtrans-62.7-42.2176.4-73.2-176.9105.600112.1Y31 R35 Q69 I70 T75 Q76 D77Y31-E73 PolarHBondContact OH-OE1 3.28Å; R35-E73 PolarHBondContact NH1-O 2.96Å; Q69-E73 WeakPolarHBondContact O-CG 3.32Å; Q69-E73 PolarHBondContact O-N 3.13Å; I70-E73 PolarHBondContact O-N 3.35Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.06Å; E73-Q76 PolarHBondContact O-N 2.88Å; E73-D77 PolarHBondContact O-N 3.26Å
74M93.8Very high93.3Very high2 Ų266.3 Ų66.31%0.0134%0.34CS..Hα-helixtrans-68.9-30177.3-72178.871.400112.8R35 L39 I70 Q71 E72 G78 T79 W80 M83R35-M74 HydrophobicContact CB-CG 4.44Å; R35-M74 HydrophobicContact CB-SD 4.42Å; L39-M74 HydrophobicContact CD2-SD 4.37Å; I70-M74 HydrophobicContact CG2-CG 4.23Å; I70-M74 HydrophobicContact CG2-SD 3.76Å; I70-M74 WeakPolarHBondContact O-CB 3.26Å; I70-M74 VanDerWaalsContact O-CG 3.25Å; I70-M74 WeakPolarHBondContact O-CG 3.41Å; I70-M74 PolarHBondContact O-N 3.08Å; Q71-M74 PolarHBondContact O-N 2.97Å; E72-M74 PolarHBondContact O-N 2.91Å; M74-G78 PolarHBondContact O-N 2.99Å; M74-T79 WeakPolarHBondContact CA-OG1 3.27Å; M74-T79 PolarHBondContact O-N 2.85Å; M74-T79 VanDerWaalsContact O-N 3.08Å; M74-T79 PolarHBondContact O-OG1 3.11Å; M74-W80 HydrophobicContact CB-CB 3.91Å; M74-W80 HydrophobicContact CB-CE3 4.44Å; M74-W80 HydrophobicContact CE-CE3 4.33Å; M74-W80 PolarHBondContact O-N 3Å; M74-W80 HydrophobicContact SD-CE3 4.41Å; M74-M83 HydrophobicContact CE-CE 3.4Å; M74-M83 VanDerWaalsContact CE-CE 3.4Å; M74-M83 HydrophobicContact CE-SD 3.79Å
75T93.6Very high92.8Very high58 Ų5871.9 Ų71.936%0.35636%0.36SS..Hα-helixtrans-71.7-38.9175.5-60.50000111.2Q71 E72 E73 D77 G78Q71-T75 VanDerWaalsContact O-CB 3.29Å; Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 PolarHBondContact O-N 3.49Å; Q71-T75 PolarHBondContact O-OG1 2.86Å; E72-T75 PolarHBondContact O-N 2.84Å; E73-T75 VanDerWaalsContact C-N 3.3Å; E73-T75 PolarHBondContact O-N 3.06Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.89Å; T75-G78 PolarHBondContact O-N 3.45Å
76Q92.5Very high92.1Very high150 Ų15071.2 Ų71.270%0.70136%0.364SS*.Hα-helixtrans-60-39.2175.9-74173.456.600112E72 E73 G78E72-Q76 VanDerWaalsContact O-CG 3.32Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 3Å; E72-Q76 PolarHBondContact O-NE2 3.43Å; E73-Q76 PolarHBondContact O-N 2.88Å; Q76-G78 VanDerWaalsContact C-N 3.34Å
77D90.5Very high91.1Very high92 Ų9272.6 Ų72.649%0.49237%0.369SS..THydrogen-bonded Turntrans-86.5-0.5179.5-61.5-30000113.8R35 E73 T75 T79R35-D77 IonicContact CZ-OD2 2.72Å; R35-D77 VanDerWaalsContact CZ-OD2 3.22Å; R35-D77 IonicContact NH1-OD2 3.62Å; R35-D77 PolarHBondContact NH1-OD2 2.95Å; R35-D77 IonicContact NH2-OD2 2.78Å; R35-D77 PolarHBondContact NH2-OD2 3.39Å; E73-D77 PolarHBondContact O-N 3.26Å; T75-D77 VanDerWaalsContact C-N 3.29Å; T75-D77 PolarHBondContact O-N 2.89Å; D77-T79 HydrophobicContact CB-CG2 4.11Å; D77-T79 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact O-N 3.11Å
78G89.3Confident90.2Very high26 Ų2675.3 Ų75.327%0.26839%0.394SS..THydrogen-bonded Turntrans73.2-5.8-176.500000115.2M74 T75 Q76 W80 Q81 I82M74-G78 PolarHBondContact O-N 2.99Å; T75-G78 PolarHBondContact O-N 3.45Å; Q76-G78 VanDerWaalsContact C-N 3.34Å; G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.07Å; G78-Q81 VanDerWaalsContact C-OE1 3.27Å; G78-Q81 VanDerWaalsContact CA-OE1 3.25Å; G78-Q81 PolarHBondContact O-N 2.7Å; G78-Q81 PolarHBondContact O-OE1 2.92Å; G78-I82 PolarHBondContact O-N 3.38Å
79T89.6Confident89.2Confident38 Ų3873.7 Ų73.723%0.23341%0.407CS..Hα-helixtrans-64.2-30.9-179.557.30000112.8M74 D77 M83M74-T79 WeakPolarHBondContact CA-OG1 3.27Å; M74-T79 PolarHBondContact O-N 2.85Å; M74-T79 VanDerWaalsContact O-N 3.08Å; M74-T79 PolarHBondContact O-OG1 3.11Å; D77-T79 HydrophobicContact CB-CG2 4.11Å; D77-T79 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact O-N 3.11Å; T79-M83 WeakPolarHBondContact O-CB 3.23Å; T79-M83 PolarHBondContact O-N 3Å; T79-M83 VanDerWaalsContact O-N 3.09Å
80W90.1Very high87.8Confident65 Ų6573.1 Ų73.125%0.24642%0.419CS..Hα-helixtrans-62.4-44.8177.7179.4-105.6000112.6L39 Q71 M74 G78 M83 T84L39-W80 HydrophobicContact CD2-CZ3 3.75Å; Q71-W80 HydrophobicContact CG-CD2 3.87Å; Q71-W80 HydrophobicContact CG-CE3 3.97Å; Q71-W80 HydrophobicContact CG-CH2 3.99Å; Q71-W80 HydrophobicContact CG-CZ2 3.9Å; Q71-W80 HydrophobicContact CG-CZ3 4.02Å; M74-W80 HydrophobicContact CB-CB 3.91Å; M74-W80 HydrophobicContact CB-CE3 4.44Å; M74-W80 HydrophobicContact CE-CE3 4.33Å; M74-W80 PolarHBondContact O-N 3Å; M74-W80 HydrophobicContact SD-CE3 4.41Å; G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.07Å; W80-M83 PolarHBondContact O-N 3.38Å; W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å
81Q91.6Very high86.2Confident92 Ų9276.9 Ų76.943%0.4344%0.437SS..Hα-helixtrans-66.8-43.8-178.5-67.282-11.100110.7G78 M83 T84 Q85G78-Q81 VanDerWaalsContact C-OE1 3.27Å; G78-Q81 VanDerWaalsContact CA-OE1 3.25Å; G78-Q81 PolarHBondContact O-N 2.7Å; G78-Q81 PolarHBondContact O-OE1 2.92Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.29Å; Q81-T84 PolarHBondContact O-N 3.25Å; Q81-Q85 VanDerWaalsContact O-CB 3.24Å; Q81-Q85 WeakPolarHBondContact O-CB 3.5Å; Q81-Q85 PolarHBondContact O-N 3.07Å
82I88.9Confident84Confident123 Ų12378.1 Ų78.163%0.63145%0.452SS*.Hα-helixtrans-59.4-46177.6-63.2166.2000110.2G78 A86G78-I82 PolarHBondContact O-N 3.38Å; I82-A86 WeakPolarHBondContact O-CB 3.14Å; I82-A86 PolarHBondContact O-N 2.94Å
83M84.8Confident82Confident49 Ų4979 Ų7924%0.24147%0.465CS..Hα-helixtrans-64.7-48.6178177.3177.4-62.800112.8Q36 M74 T79 W80 Q81 Q85 A86 L87Q36-M83 HydrophobicContact CB-CE 4.31Å; Q36-M83 VanDerWaalsContact CD-CE 3.49Å; Q36-M83 HydrophobicContact CG-CE 3.94Å; Q36-M83 PolarHBondContact OE1-SD 3.44Å; M74-M83 HydrophobicContact CE-CE 3.4Å; M74-M83 VanDerWaalsContact CE-CE 3.4Å; M74-M83 HydrophobicContact CE-SD 3.79Å; T79-M83 WeakPolarHBondContact O-CB 3.23Å; T79-M83 PolarHBondContact O-N 3Å; T79-M83 VanDerWaalsContact O-N 3.09Å; W80-M83 PolarHBondContact O-N 3.38Å; Q81-M83 VanDerWaalsContact C-N 3.31Å; Q81-M83 PolarHBondContact O-N 3.29Å; M83-Q85 VanDerWaalsContact C-N 3.25Å; M83-Q85 PolarHBondContact O-N 3.43Å; M83-A86 PolarHBondContact O-N 3.42Å; M83-L87 HydrophobicContact CG-CD1 4.05Å; M83-L87 WeakPolarHBondContact O-CD1 3.43Å; M83-L87 PolarHBondContact O-N 3.17Å
84T85.5Confident79.8Confident64 Ų6480.1 Ų80.139%0.39348%0.484SS..Hα-helixtrans-62.2-38.1-179.5-540000110.6W80 Q81 L87 A88W80-T84 WeakPolarHBondContact O-CB 3.47Å; W80-T84 PolarHBondContact O-N 3.38Å; W80-T84 PolarHBondContact O-OG1 2.92Å; Q81-T84 PolarHBondContact O-N 3.25Å; T84-L87 PolarHBondContact O-N 2.94Å; T84-A88 VanDerWaalsContact O-CB 3.32Å; T84-A88 WeakPolarHBondContact O-CB 3.22Å; T84-A88 PolarHBondContact O-N 3.16Å
85Q86.3Confident77.9Confident149 Ų14985.5 Ų85.570%0.69651%0.513SS*.Hα-helixtrans-69.8-39.6176.1-172.115549.500112.5Q81 M83 A88 A89Q81-Q85 VanDerWaalsContact O-CB 3.24Å; Q81-Q85 WeakPolarHBondContact O-CB 3.5Å; Q81-Q85 PolarHBondContact O-N 3.07Å; M83-Q85 VanDerWaalsContact C-N 3.25Å; M83-Q85 PolarHBondContact O-N 3.43Å; Q85-A88 PolarHBondContact O-N 3.48Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.31Å
86A82.6Confident75.9Confident57 Ų5791.2 Ų91.247%0.47153%0.528SS..Hα-helixtrans-63.4-41.9173.200000111.9I82 M83 A89 A90I82-A86 WeakPolarHBondContact O-CB 3.14Å; I82-A86 PolarHBondContact O-N 2.94Å; M83-A86 PolarHBondContact O-N 3.42Å; A86-A89 PolarHBondContact O-N 2.85Å; A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.18Å; A86-A90 VanDerWaalsContact O-N 3.11Å
87L77.3Confident73.9Confident90 Ų9088.9 Ų88.947%0.47152%0.519SS..Hα-helixtrans-63.6-44.1173.5-101.979.6000111.8M83 T84 A89 A90 Q91M83-L87 HydrophobicContact CG-CD1 4.05Å; M83-L87 WeakPolarHBondContact O-CD1 3.43Å; M83-L87 PolarHBondContact O-N 3.17Å; T84-L87 PolarHBondContact O-N 2.94Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.33Å; L87-A90 PolarHBondContact O-N 3.29Å; L87-A90 VanDerWaalsContact O-N 3.1Å; L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 3Å; L87-Q91 VanDerWaalsContact O-N 3.11Å
88A78.5Confident72.2Confident77 Ų7789.2 Ų89.264%0.63653%0.525SS*.Hα-helixtrans-62.8-34.3178.600000112.5T84 Q85 A90T84-A88 VanDerWaalsContact O-CB 3.32Å; T84-A88 WeakPolarHBondContact O-CB 3.22Å; T84-A88 PolarHBondContact O-N 3.16Å; Q85-A88 PolarHBondContact O-N 3.48Å; A88-A90 VanDerWaalsContact C-N 3.35Å
89A76.2Confident70.4Confident92 Ų9291.5 Ų91.576%0.7654%0.541SS*.Hα-helixtrans-75.9-22.1175.200000113.4Q85 A86 L87Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.31Å; A86-A89 PolarHBondContact O-N 2.85Å; L87-A89 VanDerWaalsContact C-N 3.27Å; L87-A89 PolarHBondContact O-N 3.33Å
90A68.1Low68.5Low85 Ų8593.3 Ų93.370%0.70255%0.552SS**Hα-helixtrans-96.3-15.2-175.600000114.5A86 L87 A88A86-A90 VanDerWaalsContact O-CB 3.3Å; A86-A90 WeakPolarHBondContact O-CB 3.48Å; A86-A90 PolarHBondContact O-N 3.18Å; A86-A90 VanDerWaalsContact O-N 3.11Å; L87-A90 PolarHBondContact O-N 3.29Å; L87-A90 VanDerWaalsContact O-N 3.1Å; A88-A90 VanDerWaalsContact C-N 3.35Å
91Q64.3Low66.5Low90 Ų9095 Ų9542%0.42156%0.563SS.*  trans-93133.5-171.6-74.4-17718.300114.6L87L87-Q91 WeakPolarHBondContact O-CG 3.44Å; L87-Q91 PolarHBondContact O-N 3Å; L87-Q91 VanDerWaalsContact O-N 3.11Å
92C49.9Very low64.7Low97 Ų9795.7 Ų95.766%0.65557%0.573SS**  trans-81.9143.6165.1-1550000108.7A94 D95C92-A94 PolarHBondContact O-N 3.02Å; C92-D95 PolarHBondContact O-N 3.42Å
93P52.8Low62.8Low109 Ų10996.6 Ų96.671%0.70858%0.578SS**THydrogen-bonded Turntrans-62.2-4.4-163.820.7-33.8000117.7
94A50.4Low61Low77 Ų7799 Ų9964%0.63660%0.598SS**THydrogen-bonded Turntrans-81.6-29.1-179.500000114.2C92 R96C92-A94 PolarHBondContact O-N 3.02Å; A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 3.03Å
95D52.4Low59Low115 Ų115106.5 Ų106.562%0.61562%0.62SS**THydrogen-bonded Turntrans-82.4-5.5-179.8-75.7-31.4000113.4C92 L97C92-D95 PolarHBondContact O-N 3.42Å; D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.47Å
96R52.9Low57.1Low179 Ų179107.6 Ų107.668%0.67563%0.625SS**Hα-helixtrans-69.8-24.4-175.4-163.5177.7167.9-167.8-3.9113.4A94 T100A94-R96 VanDerWaalsContact C-N 3.26Å; A94-R96 PolarHBondContact O-N 3.03Å; R96-T100 PolarHBondContact O-OG1 2.94Å
97L50.1Low55Low100 Ų100111 Ų11152%0.52464%0.64SS.*Hα-helixtrans-75.7-26.8-173.1-64.3144.6000112.7D95 E101D95-L97 VanDerWaalsContact C-N 3.3Å; D95-L97 PolarHBondContact O-N 3.47Å; L97-E101 WeakPolarHBondContact CA-OE1 3.44Å; L97-E101 WeakPolarHBondContact CB-OE1 3.47Å; L97-E101 WeakPolarHBondContact CD2-OE1 3.3Å; L97-E101 WeakPolarHBondContact CG-OE1 3.39Å; L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 WeakPolarHBondContact O-CG 3.34Å
98V53.7Low53.3Low100 Ų100115.1 Ų115.161%0.60666%0.657SS**Hα-helixtrans-86.4-29.9-174.4-174.50000113
99A51.5Low51.2Low73 Ų73116.9 Ų116.960%0.60367%0.671SS**Hα-helixtrans-88.1-22.7-172.700000114.7
100T51Low49.6Very low77 Ų77115.7 Ų115.747%0.47267%0.668SS.*Hα-helixtrans-111.1-18.3-17648.70000114.5R96 C104R96-T100 PolarHBondContact O-OG1 2.94Å; T100-C104 PolarHBondContact O-N 3.22Å; T100-C104 PolarHBondContact O-SG 3.41Å; T100-C104 VanDerWaalsContact O-SG 3.36Å
101E47.9Very low48.1Very low100 Ų100119.8 Ų119.847%0.46767%0.673SS.*Hα-helixtrans-80.8-29.2-173.8-65.8-179.4-171.500113.7L97 L103L97-E101 WeakPolarHBondContact CA-OE1 3.44Å; L97-E101 WeakPolarHBondContact CB-OE1 3.47Å; L97-E101 WeakPolarHBondContact CD2-OE1 3.3Å; L97-E101 WeakPolarHBondContact CG-OE1 3.39Å; L97-E101 WeakPolarHBondContact O-CB 3.41Å; L97-E101 WeakPolarHBondContact O-CG 3.34Å; E101-L103 PolarHBondContact O-N 3.42Å
102V53.3Low46.6Very low106 Ų106120.3 Ų120.364%0.64269%0.687SS**Hα-helixtrans-67.4-27.8178.5-176.20000111.4
103L49.7Very low46Very low143 Ų143121.7 Ų121.775%0.74969%0.694SS**Hα-helixtrans-92.1-27.1-179.6-69169000113.6E101E101-L103 PolarHBondContact O-N 3.42Å
104C46.2Very low44.9Very low98 Ų98125 Ų12566%0.66270%0.698SS**Hα-helixtrans-87.3-10.6-174.6-67.90000115T100 Q106T100-C104 PolarHBondContact O-N 3.22Å; T100-C104 PolarHBondContact O-SG 3.41Å; T100-C104 VanDerWaalsContact O-SG 3.36Å; C104-Q106 PolarHBondContact O-N 3.21Å
105R43.5Very low44.4Very low223 Ų223127 Ų12784%0.84270%0.704SS**G310 helixtrans-81.4-4-179.6-99.9-166.4155.7-102.9-4.5115.9T107R105-T107 PolarHBondContact O-N 3.31Å
106Q45.7Very low43.3Very low172 Ų172131.3 Ų131.380%0.80472%0.718SS**G310 helixtrans-83.70.9-175.8-168.253.530.200115.1C104C104-Q106 PolarHBondContact O-N 3.21Å
107T39.2Very low42.4Very low128 Ų128127.9 Ų127.979%0.78572%0.721SS**G310 helixtrans-136.621.9-175.9300000116.9R105R105-T107 PolarHBondContact O-N 3.31Å
108Q40.9Very low41.6Very low176 Ų176129.6 Ų129.682%0.82274%0.735SS**  trans-124.964162.1-86-162.40.900112.2
109A35.5Very low40.5Very low114 Ų114130.7 Ų130.794%0.94275%0.748SS**  trans-108.968.9156.100000107.7
110G42.3Very low39.7Very low68 Ų68130.4 Ų130.470%0.70175%0.752SS**  trans-156.438-174.300000112.2
111Q36.4Very low39Very low170 Ų170134.7 Ų134.779%0.79477%0.771SS**  trans-140.2106.1163.4-68.2-169.132.100109.1
112S33.3Very low38.3Very low102 Ų102137.7 Ų137.771%0.71379%0.785SS**  trans-53.4133.2167.755.10000111.1K114S112-K114 PolarHBondContact O-N 2.96Å
113P36.4Very low37.4Very low125 Ų125140.9 Ų140.981%0.81279%0.792SS**  trans-75.8112.8161.224.4-17.8000108.2
114K30.9Very low36.4Very low180 Ų180136.8 Ų136.878%0.78379%0.785SS**PPolyproline II helixtrans-63.7128.9165-100.3168.6176.1163.60108.4S112 F116S112-K114 PolarHBondContact O-N 2.96Å; K114-F116 PolarHBondContact O-N 3.39Å
115P39Very low35.8Very low118 Ų118142.5 Ų142.577%0.76679%0.794SS**PPolyproline II helixtrans-74.8123.4174.230.2-30.9000108.9
116F30.4Very low35.2Very low206 Ų206140.3 Ų140.390%0.90479%0.793SS**PPolyproline II helixtrans-83.7119.1163.4-90.2-84.8000108.7K114K114-F116 PolarHBondContact O-N 3.39Å
117S33.2Very low34.5Very low107 Ų107136.8 Ų136.875%0.74879%0.787SS**PPolyproline II helixtrans-79.2132.1173.8-68.40000112.2
118V33.2Very low34.4Very low135 Ų135138.6 Ų138.682%0.81879%0.787SS**  trans26.5122.2136.4173.80000120.2
119S31.8Very low34.1Very low124 Ų124139.5 Ų139.587%0.86779%0.791SS**  -168.7130.2125.9-100.10000105.9
120G33.2Very low34.1Very low67 Ų67139.3 Ų139.369%0.69178%0.778SS**  cis121.898.420.600000108.8
121L37.8Very low33.9Very low166 Ų166142.8 Ų142.887%0.86979%0.785SS**  trans-173.8104.6154.3-128.276.1000106.1
122E33.3Very low34Very low164 Ų164141.2 Ų141.277%0.76678%0.78SS**  52.3120.3104.1-69.3-77.2167.500111.1
123E32.7Very low34.1Very low172 Ų172143.3 Ų143.380%0.80478%0.783SS**  177.7124.456.2-149.8162.1-174.400104
124G30.5Very low34Very low57 Ų57141.1 Ų141.159%0.58878%0.783SS**  120124.594.500000113.7
125Y32.7Very low34.1Very low219 Ų219140 Ų14086%0.85979%0.785SS**  trans55.9110.6146.5-45.9-80.2000120
126H29.9Very low34.2Very low177 Ų177137.5 Ų137.582%0.81978%0.775SS**  64.5107.284.6-163.669.9000115.3
127S31.4Very low34.3Very low97 Ų97136.7 Ų136.768%0.67877%0.774SS**  164.5144.4108.5-158.90000111.8
128E37.8Very low34.7Very low166 Ų166135.7 Ų135.778%0.77677%0.772SS**  trans-60148.6167.4-67.9172.993.700111.9
129E33.6Very low34.8Very low195 Ų195138.3 Ų138.391%0.91178%0.775SS**  trans-141134.1143.4-96.8-15914200111.9
130V35.8Very low35.1Very low110 Ų110138.9 Ų138.967%0.66777%0.774SS**  trans-95.6134.9178.9-175.20000107.1
131V39.1Very low35.2Very low142 Ų142139.8 Ų139.886%0.86177%0.774SS**  trans-134.3121.2157.9177.20000109.3
132M37.1Very low35Very low137 Ų137140.3 Ų140.368%0.67578%0.775SS**  trans-92.7148.4173.8-81.3-117.466.500111.7
133D35.4Very low35.2Very low146 Ų146137.5 Ų137.578%0.78177%0.773SS**  trans67.5135.7144.4-85-55.3000123.1
134G35.7Very low35.6Very low78 Ų78134.8 Ų134.880%0.80477%0.773SS**  trans-177.4104.4166.900000111.3
135D32.1Very low36.1Very low157 Ų157139.9 Ų139.984%0.8479%0.786SS**  trans-78.5161.2-167.6-163.17.6000115.6
136A41.1Very low36.4Very low66 Ų66134.8 Ų134.855%0.54578%0.782SS.*  trans65.2120.7152.400000122.4
137E33.9Very low37.1Very low188 Ų188132.2 Ų132.288%0.87978%0.781SS**  150.6124.5115.6-73.5-69.1100.500110.2
138A40.3Very low37.3Very low87 Ų87133.9 Ų133.972%0.71979%0.787SS**  trans-85.9132.4178.200000110.8
139E36.3Very low37.2Very low189 Ų189131 Ų13188%0.88379%0.785SS**  trans-155.3146.9153.6-86.6-51.414100110.5
140V38.5Very low37.7Very low137 Ų137127.9 Ų127.983%0.8378%0.782SS**  trans-90.3134.4-164.3-176.30000111.4
141A33.9Very low37.9Very low86 Ų86130.6 Ų130.671%0.71179%0.787SS**  trans170.3143.3136.100000115.2
142M33.8Very low37.6Very low177 Ų177131.1 Ų131.187%0.87278%0.784SS**  trans70.2112150.9-99.9-168.3-78.200120.5
143S36.5Very low37.4Very low104 Ų104129.9 Ų129.973%0.72779%0.789SS**  172.3126.297.2-74.50000111.6
144S42.9Very low37.6Very low115 Ų115128.9 Ų128.980%0.80479%0.793SS**  trans-75.8129.4162.464.90000109.3
145L39.9Very low37.4Very low165 Ų165129.8 Ų129.886%0.86479%0.794SS**  trans-139.8107.2161.4-70.3176.9000110
146S38.8Very low37.7Very low111 Ų111127.9 Ų127.978%0.77679%0.793SS**PPolyproline II helixtrans-73140.2158.6-173.30000108.9
147P46Very low37.6Very low123 Ų123134.3 Ų134.380%0.79980%0.804SS**PPolyproline II helixtrans-96.2120.9165.926.4-14.2000111.4
148V33.7Very low37.9Very low132 Ų132132.9 Ų132.980%0.880%0.802SS**PPolyproline II helixtrans-66.8145.8167.958.60000112
149S36.5Very low37.6Very low105 Ų105133.3 Ų133.373%0.73481%0.805SS**PPolyproline II helixtrans-58.5157.8169.6-47.90000113.5
150P44.7Very low37.4Very low130 Ų130127.9 Ų127.984%0.84480%0.8SS**  trans-112.5132.4147.216.32.6000111.5
151Q38.8Very low38.1Very low168 Ų168126.3 Ų126.379%0.78579%0.793SS**  trans-106164.8170.6-100.8-82.725.200109.4
152L34.2Very low38.2Very low152 Ų152132.9 Ų132.980%0.79681%0.806SS**  trans85.5135.6169.5-54.9161000115
153S33.1Very low38.2Very low112 Ų112127.9 Ų127.978%0.78380%0.799SS**  cis-158.8144.136.4-112.40000113.4
154S38.1Very low38.5Very low124 Ų124132 Ų13287%0.86781%0.809SS**  trans-86.6145.7164.3-46.90000110.4
155A32.4Very low38.3Very low98 Ų98129.5 Ų129.581%0.8180%0.801SS**  trans-141.8124.7159.900000110.3
156S38Very low38.8Very low117 Ų117127.9 Ų127.982%0.81880%0.801SS**  trans-118.6133.8171.1168.40000107
157Y38.4Very low38.4Very low200 Ų200127.8 Ų127.878%0.78480%0.799SS**  trans-167.6136151.255.9-96.8000114.2
158L41.4Very low38Very low158 Ų158128.1 Ų128.183%0.82780%0.803SS**  trans74.8103.8146.6-63.3172.3000123.6
159A33.3Very low37.8Very low96 Ų96130.3 Ų130.379%0.79380%0.804SS**  48.6103.3110.700000123.5
160G31.7Very low37.7Very low75 Ų75133.4 Ų133.477%0.77381%0.807SS**  trans65.3171135.600000121.3
161P54.8Low36.9Very low105 Ų105132.3 Ų132.368%0.68280%0.802SS**  cis-147.2119.7-7.336.4-13.8000116.1
162F35.5Very low36.5Very low224 Ų224128.6 Ų128.698%0.98280%0.799SS**  trans-166.2129.8151.3-66.5-72.2000105
163G34.4Very low36.3Very low71 Ų71126.4 Ų126.473%0.73280%0.797SS**  cis131.278.917.900000108.3
164M41.3Very low36.3Very low191 Ų191129.6 Ų129.694%0.94180%0.799SS**  trans179.9132.2141.3-149.969.682.200109.5
165G40.1Very low36Very low62 Ų62127 Ų12764%0.63979%0.792SS**  trans-77.9-171.2178.700000114.6
166P50.6Low36.2Very low132 Ų132131.7 Ų131.786%0.85780%0.797SS**  trans-81.9141.3-166.634-32000111
167C29.9Very low36Very low109 Ų109133.5 Ų133.574%0.73680%0.798SS**  trans-128.995.3173.5-1630000109.8
168C36.8Very low36Very low129 Ų129128.2 Ų128.287%0.87280%0.795SS**  trans-77.3116.5153.5-51.60000105.9
169E29.7Very low35.6Very low178 Ų178127.6 Ų127.683%0.83279%0.788SS**  trans-120.5118.5160-90.9-154.112300110
170E34Very low35.6Very low170 Ų170132.2 Ų132.279%0.79479%0.785SS**  trans-84.8130157.7160.1175.214000107.5
171C28.1Very low35.8Very low108 Ų108138.2 Ų138.273%0.7379%0.793SS**  164.1123.1125.2-99.70000113.1
172A30.6Very low35.1Very low89 Ų89140.9 Ų140.974%0.73680%0.796SS**  70.9125.3121.800000122.6
173S31.1Very low35.1Very low107 Ų107138 Ų13875%0.74879%0.79SS**  trans80.3142.2135.5-129.90000116.3
174E32.1Very low34.8Very low178 Ų178146.6 Ų146.683%0.83280%0.8SS**  cis-151.3155.225.6-70.6172.2135.300108
175G31.2Very low34.6Very low69 Ų69141.7 Ų141.771%0.71179%0.79SS**  59.7122.672.400000110
176E38.3Very low34.3Very low197 Ų197146.1 Ų146.192%0.92180%0.799SS**  cis-176157.945.6-74.9167.6144.100104.8
177D33.2Very low33.5Very low155 Ų155145.1 Ų145.183%0.82980%0.795SS**  179.5142.580-174.112.8000110.4
178A37.5Very low34.1Very low89 Ų89151.2 Ų151.274%0.73680%0.802SS**  trans-144.1111.1171.900000109.3
179E32.7Very low34.3Very low146 Ų146151.4 Ų151.468%0.68280%0.8SS**  trans-145.1112.3155.1-95.2-155.692.700110.5
180R34.9Very low34.8Very low193 Ų193146.1 Ų146.173%0.72879%0.793SS**  75.6107.892.9-72.4-172.8-161.5141.4-1.8114.4
181H36.1Very low35.4Very low200 Ų200147 Ų14793%0.92680%0.797SS**  trans-133.2118.3141.2-115.9-96.3000109.3
182H38.5Very low36.2Very low162 Ų162150.9 Ų150.975%0.7581%0.805SS**  trans-83.7161.3177.8-116-78.5000111.2
183L35.9Very low37.1Very low164 Ų164152.2 Ų152.286%0.85980%0.803SS**  trans102.798.5161-52.6178.5000116.3
184R29Very low37.4Very low251 Ų251157.4 Ų157.495%0.94781%0.813SS**  -178.1123.8100.8-169.8167.9-179.3-161-0.2111
185A37.3Very low37.9Very low87 Ų87151.9 Ų151.972%0.71980%0.804SS**  trans-86.6170.6173.300000112.1
186D32.7Very low38.9Very low156 Ų156154.7 Ų154.783%0.83481%0.808SS**  trans80122.7-179.7-94.7-64.2000115.5
187S34.2Very low39.1Very low110 Ų110153.9 Ų153.977%0.76980%0.801SS**  cis-167.7152.340.524.40000112.4
188R42.7Very low39.7Very low237 Ų237153.5 Ų153.589%0.89480%0.795SS**  trans-60.3129.9176.1168.5-161.9-66.5-140.3-2.9113.8
189T41.3Very low40.4Very low134 Ų134154.3 Ų154.382%0.82279%0.785SS**  trans-172.9109.6141470000106.5
190G38.6Very low40.9Very low67 Ų67155.6 Ų155.669%0.69179%0.789SS**  78.786.151.500000109.5
191E48.5Very low41.7Very low189 Ų189153.7 Ų153.788%0.88379%0.788SS**  trans52.395153.1-57.2175.8133.200117.9
192Q44.8Very low42.5Very low188 Ų188149.6 Ų149.688%0.87978%0.779SS**  trans-127.994.7145.6-77.3-140.488.100107.6
193V48.2Very low43.6Very low117 Ų117146.1 Ų146.171%0.70978%0.778SS**  78.695.592.7171.80000110G195V193-G195 PolarHBondContact O-N 3.18Å
194F38.5Very low44.8Very low216 Ų216143.8 Ų143.895%0.94777%0.773SS**  trans-39.6129.1146.2-91.4-105.1000109.9
195G41.4Very low46.6Very low63 Ų63137.2 Ų137.265%0.64976%0.763SS**  trans140.3115.3159.300000115.4V193V193-G195 PolarHBondContact O-N 3.18Å
196T52.3Low47.9Very low128 Ų128137.3 Ų137.379%0.78576%0.756SS**  trans85.677.2151.2-36.10000116.8E198T196-E198 HydrophobicContact CG2-CB 4.23Å
197F43.8Very low49.4Very low179 Ų179134 Ų13479%0.78574%0.739SS**  trans-101.295.9139.272.5-82.1000107.4I199F197-I199 HydrophobicContact CD2-CD1 3.73Å; F197-I199 HydrophobicContact CD2-CG1 3.55Å; F197-I199 HydrophobicContact CE2-CD1 3.52Å; F197-I199 HydrophobicContact CE2-CG1 3.82Å; F197-I199 PolarHBondContact O-N 3.1Å; F197-I199 VanDerWaalsContact O-N 3.13Å
198E45.1Very low50.9Low148 Ų148133.2 Ų133.269%0.69273%0.731SS**  trans-7394.4172.4-169.2-175.3128.200107.6T196 K200T196-E198 HydrophobicContact CG2-CB 4.23Å; E198-K200 PolarHBondContact O-N 2.99Å
199I51.2Low52.1Low105 Ų105124.7 Ų124.754%0.53871%0.711SS.*  trans-79.186.9165-51.3179.6000106.9F197 H201F197-I199 HydrophobicContact CD2-CD1 3.73Å; F197-I199 HydrophobicContact CD2-CG1 3.55Å; F197-I199 HydrophobicContact CE2-CD1 3.52Å; F197-I199 HydrophobicContact CE2-CG1 3.82Å; F197-I199 PolarHBondContact O-N 3.1Å; F197-I199 VanDerWaalsContact O-N 3.13Å; I199-H201 WeakPolarHBondContact CG2-CD2 3.27Å; I199-H201 WeakPolarHBondContact CG2-NE2 3.47Å; I199-H201 PolarHBondContact O-N 3.38Å
200K44.3Very low53.3Low173 Ų173122.8 Ų122.875%0.75270%0.695SS**  trans-6682.1166.8-174.8170175.61690108.9E198 P202E198-K200 PolarHBondContact O-N 2.99Å; K200-P202 WeakPolarHBondContact O-CD 3.14Å
201H51Low54.7Low153 Ų153125.2 Ų125.271%0.70869%0.688SS**PPolyproline II helixtrans-76.5117.5158.1-71.5-67.5000107.3I199 A203I199-H201 WeakPolarHBondContact CG2-CD2 3.27Å; I199-H201 WeakPolarHBondContact CG2-NE2 3.47Å; I199-H201 PolarHBondContact O-N 3.38Å; H201-A203 PolarHBondContact O-N 3.43Å
202P52.9Low55.8Low114 Ų114123.2 Ų123.274%0.7468%0.679SS**PPolyproline II helixtrans-61.6129.1164.625.6-29.5000107.9K200K200-P202 WeakPolarHBondContact O-CD 3.14Å
203A61.2Low57.4Low90 Ų90119.8 Ų119.874%0.74467%0.666SS**PPolyproline II helixtrans-56.4132.8170.500000108.5H201H201-A203 PolarHBondContact O-N 3.43Å
204P62.3Low58.1Low114 Ų114120.6 Ų120.674%0.7466%0.661SS**PPolyproline II helixtrans-59143.5171.924.6-30.9000109
205P65.6Low59.6Low113 Ų113114 Ų11473%0.73464%0.641SS**PPolyproline II helixtrans-56.9144.6175.525.5-33.1000109.4D207P205-D207 PolarHBondContact O-N 3.45Å; P205-D207 VanDerWaalsContact O-N 3.15Å
206P64.6Low61Low89 Ų89118 Ų11858%0.57865%0.648SS**PPolyproline II helixtrans-55.8125.317324.7-31.8000108P208 E211P206-P208 WeakPolarHBondContact O-CD 3.41Å; P206-E211 HydrophobicContact CB-CG 4.48Å
207D65.8Low62.2Low88 Ų88115.4 Ų115.447%0.47163%0.632SS.*PPolyproline II helixtrans-67.8118.8174.1-173.4-14.8000106.9P205 A209 L210 E211P205-D207 PolarHBondContact O-N 3.45Å; P205-D207 VanDerWaalsContact O-N 3.15Å; D207-A209 PolarHBondContact O-N 2.83Å; D207-A209 WeakPolarHBondContact OD1-CB 3.26Å; D207-A209 PolarHBondContact OD1-N 3.31Å; D207-A209 VanDerWaalsContact OD1-N 3.09Å; D207-L210 HydrophobicContact CB-CB 4.45Å; D207-L210 HydrophobicContact CB-CD1 4.16Å; D207-L210 HydrophobicContact CB-CG 4.07Å; D207-L210 WeakPolarHBondContact O-CB 3.46Å; D207-L210 PolarHBondContact O-N 3.19Å; D207-E211 PolarHBondContact O-N 3.1Å
208P65.9Low63.4Low93 Ų93112.6 Ų112.660%0.60463%0.625SS**Hα-helixtrans-58.1-23.3-179.823.9-34.3000112.2P206 L210 E211 E212P206-P208 WeakPolarHBondContact O-CD 3.41Å; P208-L210 VanDerWaalsContact C-N 3.3Å; P208-L210 PolarHBondContact O-N 3.03Å; P208-E211 PolarHBondContact O-N 2.96Å; P208-E212 PolarHBondContact O-N 3.3Å; P208-E212 VanDerWaalsContact O-N 3.09Å
209A65.9Low64.3Low58 Ų58110.8 Ų110.848%0.47963%0.626SS.*Hα-helixtrans-69.4-25.5174.100000113.4D207 L213D207-A209 PolarHBondContact O-N 2.83Å; D207-A209 WeakPolarHBondContact OD1-CB 3.26Å; D207-A209 PolarHBondContact OD1-N 3.31Å; D207-A209 VanDerWaalsContact OD1-N 3.09Å; A209-L213 PolarHBondContact O-N 3.1Å
210L68.3Low64.9Low93 Ų93109.8 Ų109.849%0.48763%0.628SS.*Hα-helixtrans-83.3-34173.6-64.4180000111.4D207 P208 E212 L213 F214D207-L210 HydrophobicContact CB-CB 4.45Å; D207-L210 HydrophobicContact CB-CD1 4.16Å; D207-L210 HydrophobicContact CB-CG 4.07Å; D207-L210 WeakPolarHBondContact O-CB 3.46Å; D207-L210 PolarHBondContact O-N 3.19Å; P208-L210 VanDerWaalsContact C-N 3.3Å; P208-L210 PolarHBondContact O-N 3.03Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-L213 HydrophobicContact CD2-CD2 4.46Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-F214 WeakPolarHBondContact O-CD2 3.39Å; L210-F214 PolarHBondContact O-N 3.34Å
211E66.6Low65.8Low118 Ų118110.9 Ų110.955%0.55163%0.629SS**Hα-helixtrans-64.9-37.1173.7-78.3178156.300112.1P206 D207 P208 S215P206-E211 HydrophobicContact CB-CG 4.48Å; D207-E211 PolarHBondContact O-N 3.1Å; P208-E211 PolarHBondContact O-N 2.96Å; E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å
212E73.1Confident66.2Low148 Ų148111.9 Ų111.969%0.69263%0.628SS**Hα-helixtrans-69.6-30.5172.9-166.3175.8172.900112.5P208 L210 F214 S215P208-E212 PolarHBondContact O-N 3.3Å; P208-E212 VanDerWaalsContact O-N 3.09Å; L210-E212 VanDerWaalsContact C-N 3.34Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.36Å; E212-S215 PolarHBondContact O-OG 2.9Å
213L77.3Confident66.7Low115 Ų115109.9 Ų109.960%0.60261%0.611SS**Hα-helixtrans-71.5-28.7178-172.562.3000112.9A209 L210A209-L213 PolarHBondContact O-N 3.1Å; L210-L213 HydrophobicContact CD2-CD2 4.46Å; L210-L213 PolarHBondContact O-N 3.3Å
214F63.2Low66.9Low135 Ų135111.4 Ų111.459%0.59261%0.606SS**Hα-helixtrans-104.4-3.9179.5-61.9-65.8000113.6L210 E212 D216 V217L210-F214 WeakPolarHBondContact O-CD2 3.39Å; L210-F214 PolarHBondContact O-N 3.34Å; E212-F214 VanDerWaalsContact C-N 3.34Å; E212-F214 PolarHBondContact O-N 3.36Å; F214-D216 VanDerWaalsContact C-N 3.29Å; F214-D216 PolarHBondContact O-N 3.15Å; F214-V217 HydrophobicContact CD1-CG2 4.44Å; F214-V217 PolarHBondContact O-N 2.91Å
215S69.4Low66.9Low78 Ų78111.2 Ų111.255%0.54560%0.599SS.*THydrogen-bonded Turntrans-69.4-25.8179.857.10000113.7E211 E212 V217E211-S215 WeakPolarHBondContact O-CB 3.5Å; E211-S215 PolarHBondContact O-N 2.95Å; E212-S215 PolarHBondContact O-OG 2.9Å; S215-V217 VanDerWaalsContact C-N 3.32Å
216D70.7Confident66.7Low147 Ų147110.5 Ų110.579%0.78659%0.592SS**THydrogen-bonded Turntrans-88-3.2177.1-64.4-14000112.5F214 D218F214-D216 VanDerWaalsContact C-N 3.29Å; F214-D216 PolarHBondContact O-N 3.15Å; D216-D218 PolarHBondContact O-N 3.26Å
217V77.7Confident66.4Low73 Ų73111 Ų11144%0.44259%0.593SS.*SBendtrans-87.6103.4175.8-178.50000108.2F214 S215 P219F214-V217 HydrophobicContact CD1-CG2 4.44Å; F214-V217 PolarHBondContact O-N 2.91Å; S215-V217 VanDerWaalsContact C-N 3.32Å; V217-P219 WeakPolarHBondContact O-CD 3.35Å
218D70.5Confident66.2Low119 Ų119112.3 Ų112.364%0.63660%0.6SS**  trans-56.6124.6177.7-79.3-50.2000111.1D216 S220 Y221D216-D218 PolarHBondContact O-N 3.26Å; D218-S220 PolarHBondContact O-N 3Å; D218-Y221 PolarHBondContact O-N 3.4Å
219P64Low65.8Low111 Ų111112.3 Ų112.372%0.72160%0.598SS**G310 helixtrans-60.1-15.3176.3-22.932000113.9V217 Y221 Y222V217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-Y221 PolarHBondContact O-N 3.35Å; P219-Y222 PolarHBondContact O-N 3.48Å
220S62.3Low65.2Low84 Ų84112.7 Ų112.759%0.58761%0.608SS**G310 helixtrans-67.2-18179.6630000113.7D218 Y222 D223D218-S220 PolarHBondContact O-N 3Å; S220-Y222 PolarHBondContact O-N 3.08Å; S220-D223 PolarHBondContact O-N 3.25Å
221Y62.7Low64.6Low195 Ų195116 Ų11677%0.76562%0.623SS**G310 helixtrans-68.4-25.3173.4-171.6-99.6000112.7D218 P219D218-Y221 PolarHBondContact O-N 3.4Å; P219-Y221 PolarHBondContact O-N 3.35Å
222Y60.5Low63.9Low174 Ų174117.7 Ų117.768%0.68263%0.631SS**G310 helixtrans-98.51.7177.9-67.9-80.2000113.4P219 S220 L224P219-Y222 PolarHBondContact O-N 3.48Å; S220-Y222 PolarHBondContact O-N 3.08Å; Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.03Å
223D63.5Low62.5Low72 Ų72115.5 Ų115.539%0.38563%0.632SS.*  trans-77.680.5172.8-176.439.1000110.7S220 D225 T226S220-D223 PolarHBondContact O-N 3.25Å; D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 VanDerWaalsContact O-N 3.15Å; D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 PolarHBondContact OD2-OG1 3.18Å
224L65.4Low61.1Low122 Ų122116 Ų11664%0.63964%0.639SS**Hα-helixtrans-60.9-15.6177-82138.8000113.4Y222 T226 V227 L228Y222-L224 VanDerWaalsContact C-N 3.29Å; Y222-L224 PolarHBondContact O-N 3.03Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.74Å; L224-V227 HydrophobicContact CD2-CG2 4.32Å; L224-V227 WeakPolarHBondContact O-CG2 3.15Å; L224-V227 PolarHBondContact O-N 3.38Å; L224-L228 PolarHBondContact O-N 2.99Å
225D62.3Low60.1Low111 Ų111114.8 Ų114.859%0.59465%0.645SS**Hα-helixtrans-67.8-26.8179.4-77.3-51.6000112.4D223 T229D223-D225 PolarHBondContact O-N 3.33Å; D223-D225 VanDerWaalsContact O-N 3.15Å; D225-T229 VanDerWaalsContact O-CB 3.31Å; D225-T229 WeakPolarHBondContact O-CB 3.31Å; D225-T229 PolarHBondContact O-N 3.41Å; D225-T229 PolarHBondContact O-OG1 2.88Å
226T60.9Low59.3Low98 Ų98121.2 Ų121.260%0.60166%0.663SS**Hα-helixtrans-74.2-37.5179.3-60.50000112.6D223 L224 G230D223-T226 PolarHBondContact O-N 3.38Å; D223-T226 PolarHBondContact OD2-OG1 3.18Å; L224-T226 VanDerWaalsContact C-N 3.26Å; L224-T226 PolarHBondContact O-N 2.74Å; T226-G230 PolarHBondContact O-N 3.01Å
227V59.5Low58.5Low99 Ų99121 Ų12160%0.666%0.659SS**Hα-helixtrans-73.9-30.4174.2-65.80000112.4L224L224-V227 HydrophobicContact CD2-CG2 4.32Å; L224-V227 WeakPolarHBondContact O-CG2 3.15Å; L224-V227 PolarHBondContact O-N 3.38Å
228L60.1Low57.3Low116 Ų116120 Ų12061%0.60766%0.664SS**Hα-helixtrans-73.9-34.1176.4-117.3115.4000112.4L224L224-L228 PolarHBondContact O-N 2.99Å
229T58.3Low56.4Low93 Ų93119.8 Ų119.857%0.57167%0.669SS**Hα-helixtrans-77.6-22.6-178.5-56.60000112.7D225 M231 Q232D225-T229 VanDerWaalsContact O-CB 3.31Å; D225-T229 WeakPolarHBondContact O-CB 3.31Å; D225-T229 PolarHBondContact O-N 3.41Å; D225-T229 PolarHBondContact O-OG1 2.88Å; T229-M231 PolarHBondContact O-N 3.18Å; T229-Q232 PolarHBondContact O-N 3.4Å
230G53.8Low55.5Low66 Ų66123.9 Ų123.968%0.6867%0.671SS**THydrogen-bonded Turntrans-67.9-13.2174.500000115.5T226T226-G230 PolarHBondContact O-N 3.01Å
231M54.6Low54.8Low163 Ų163125.3 Ų125.380%0.80367%0.672SS**THydrogen-bonded Turntrans-100.9-0.5179-62.8179.86800113.7T229 S233T229-M231 PolarHBondContact O-N 3.18Å; M231-S233 PolarHBondContact O-N 3.39Å
232Q53.3Low54.5Low152 Ų152123.4 Ų123.471%0.7168%0.675SS**  trans-95.847178.2-64.6-153.591.700113T229 T234T229-Q232 PolarHBondContact O-N 3.4Å; Q232-T234 PolarHBondContact O-N 3.24Å
233S43.2Very low54.1Low102 Ų102122.5 Ų122.571%0.71368%0.681SS**  trans-84.598152.463.40000107.6M231 P235M231-S233 PolarHBondContact O-N 3.39Å; S233-P235 WeakPolarHBondContact O-CD 3.47Å
234T46.7Very low53.3Low125 Ų125127.1 Ų127.177%0.76770%0.7SS**  trans-61.3119.3174.952.40000111.5Q232Q232-T234 PolarHBondContact O-N 3.24Å
235P42.8Very low52.4Low110 Ų110126.3 Ų126.371%0.71471%0.705SS**  trans-86.5120143.530-18.2000107.1S233 M237S233-P235 WeakPolarHBondContact O-CD 3.47Å; P235-M237 VanDerWaalsContact C-N 3.26Å; P235-M237 PolarHBondContact O-N 2.84Å
236K52.4Low51.7Low213 Ų213128.7 Ų128.793%0.92672%0.717SS**  trans-67.484.6171.4-175.5165.3175.3137.10108.8
237M54.8Low50.9Low142 Ų142129 Ų12970%0.772%0.723SS**  trans-118126.7166-90.8179.480.900109.5P235 D241P235-M237 VanDerWaalsContact C-N 3.26Å; P235-M237 PolarHBondContact O-N 2.84Å; M237-D241 HydrophobicContact CE-CB 4.15Å
238G50.8Low50.1Low52 Ų52128.3 Ų128.354%0.53672%0.722SS.*  trans-74.9171.8-174.900000113.6Y240G238-Y240 PolarHBondContact O-N 3.47Å
239P52.1Low49.2Very low115 Ų115131.4 Ų131.475%0.74773%0.733SS**THydrogen-bonded Turntrans-73.119.2-164.3-16.530.9000117.4
240Y46Very low48.5Very low197 Ų197130.4 Ų130.477%0.77374%0.741SS**THydrogen-bonded Turntrans-1280.8-162.8-55.5-73.6000117.9G238G238-Y240 PolarHBondContact O-N 3.47Å
241D48.1Very low48.3Very low114 Ų114133 Ų13361%0.6175%0.746SS**SBendtrans-99.91-173-86.2-34.8000116.8M237M237-D241 HydrophobicContact CE-CB 4.15Å
242L55.3Low47.5Very low156 Ų156130.9 Ų130.982%0.81774%0.743SS**SBendtrans-91.7-7.3179.7-82.7168.2000115
243L52.9Low47.3Very low155 Ų155127.9 Ų127.981%0.81274%0.743SS**SBendtrans-95.6-10.8-175.6-69.1174.3000114.4
244E46.8Very low47.2Very low169 Ų169131.2 Ų131.279%0.7975%0.752SS**SBendtrans-87.5-21.3179.7-153.791.6-14800112.5
245S45.4Very low46.7Very low104 Ų104130.2 Ų130.273%0.72775%0.751SS**THydrogen-bonded Turntrans-85.5-7.9-174.6-61.50000116
246L47.7Very low46.7Very low162 Ų162129.8 Ų129.885%0.84875%0.75SS**THydrogen-bonded Turntrans-113.85.4177.5-61.3179.2000113.6
247S44.2Very low46.2Very low105 Ų105125.1 Ų125.173%0.73474%0.744SS**  trans-106.648.4-178.5-173.20000112.8
248S43.3Very low46.1Very low84 Ų84121.9 Ų121.959%0.58774%0.741SS**  trans-129.7137.7158.6-159.70000107.7
249H40.8Very low46Very low181 Ų181123.6 Ų123.684%0.83874%0.74SS**  trans87.265.4-178.4-31.2-55.5000116.5
250G43.9Very low45.7Very low71 Ų71123 Ų12373%0.73274%0.738SS**  trans-99.8165.8131.600000108.6
251P50.2Low46Very low121 Ų121124.1 Ų124.179%0.78674%0.741SS**  cis-132.7-171.530.133.9-10000110.9
252T37Very low46.3Very low119 Ų119121.9 Ų121.973%0.7373%0.734SS**  cis-170.4137.327.9-27.40000106.3
253A49.2Very low46.5Very low88 Ų88118.8 Ų118.873%0.72772%0.719SS**  trans-77.9147.4153.900000108.3
254L40.3Very low47.4Very low172 Ų172117.3 Ų117.390%0.90171%0.711SS**  trans178.3138.6139.9-93.6163.7000111.9
255S36Very low48.7Very low105 Ų105115.5 Ų115.573%0.73471%0.706SS**  trans90.796.7153.6-145.40000119.7
256S42.8Very low50.5Low100 Ų100116 Ų11670%0.69970%0.697SS**SBendtrans-40.4136.3142.1-52.50000113.1A258S256-A258 PolarHBondContact O-N 3.36Å
257S42.1Very low52.4Low115 Ų115113.3 Ų113.380%0.80468%0.683SS**SBendtrans61.339.7135.169.20000121.1
258A52.7Low54.3Low75 Ų75113 Ų11362%0.6267%0.673SS**SBendtrans-119.6-14.6162.900000115.4S256S256-A258 PolarHBondContact O-N 3.36Å
259T48.7Very low56.3Low87 Ų87114 Ų11453%0.53467%0.668SS.*  trans-109.4-8.6-161.5-34.90000115.9R261 S262 D263T259-R261 PolarHBondContact O-N 3.27Å; T259-S262 WeakPolarHBondContact O-CB 3.17Å; T259-S262 PolarHBondContact O-N 3.3Å; T259-D263 PolarHBondContact O-N 3.13Å
260C46.6Very low58.5Low104 Ų104109 Ų10970%0.70365%0.647SS**THydrogen-bonded Turntrans-67.2-4.8177.150.30000114.3
261R51.3Low60.6Low220 Ų220110.5 Ų110.583%0.8364%0.636SS**THydrogen-bonded Turntrans-92.4-23.9166.2-66.9-160.872.4-1650.7113.7T259T259-R261 PolarHBondContact O-N 3.27Å
262S55.4Low62.4Low66 Ų66110.9 Ų110.946%0.46263%0.628SS.*THydrogen-bonded Turntrans-77.3-30.1177.2-50.50000111.7T259 L264 N265 E266T259-S262 WeakPolarHBondContact O-CB 3.17Å; T259-S262 PolarHBondContact O-N 3.3Å; S262-L264 VanDerWaalsContact C-N 3.34Å; S262-L264 PolarHBondContact O-N 2.9Å; S262-N265 PolarHBondContact O-N 3.37Å; S262-E266 PolarHBondContact O-N 3.38Å
263D59.6Low64.7Low92 Ų92109.9 Ų109.949%0.49262%0.617SS.*Hα-helixtrans-65.5-28.6-179.5-112.7-63.8000114.2T259 E266 L267T259-D263 PolarHBondContact O-N 3.13Å; D263-E266 PolarHBondContact O-N 3.37Å; D263-L267 WeakPolarHBondContact O-CB 3.5Å; D263-L267 PolarHBondContact O-N 3.43Å
264L71.6Confident66.2Low124 Ų124112 Ų11265%0.64962%0.615SS**Hα-helixtrans-69.8-36.2178.4-77.1171000112.2S262 D268S262-L264 VanDerWaalsContact C-N 3.34Å; S262-L264 PolarHBondContact O-N 2.9Å; L264-D268 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-N 3.13Å
265N73.2Confident68.2Low130 Ų130109.5 Ų109.570%0.69561%0.606SS**Hα-helixtrans-74.2-33.1177.6-173.260.2000111.6S262 H269S262-N265 PolarHBondContact O-N 3.37Å; N265-H269 PolarHBondContact O-N 3.45Å
266E85.1Confident69.6Low115 Ų115107 Ų10754%0.53760%0.597SS.*Hα-helixtrans-71.9-40.2173.2-175.3167.6-168.700111.6S262 D263 D268 H269 I270S262-E266 PolarHBondContact O-N 3.38Å; D263-E266 PolarHBondContact O-N 3.37Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 3.26Å; E266-H269 PolarHBondContact O-N 3.42Å; E266-I270 HydrophobicContact CG-CD1 3.86Å; E266-I270 HydrophobicContact CG-CG1 4.44Å; E266-I270 WeakPolarHBondContact O-CB 3.33Å; E266-I270 WeakPolarHBondContact O-CD1 3.18Å; E266-I270 WeakPolarHBondContact O-CG1 3.12Å; E266-I270 PolarHBondContact O-N 2.89Å
267L86.8Confident70Confident106 Ų106111 Ų11156%0.55563%0.625SS**Hα-helixtrans-62.2-40.3175.7-173.268.2000112.2D263 I270 M271D263-L267 WeakPolarHBondContact O-CB 3.5Å; D263-L267 PolarHBondContact O-N 3.43Å; L267-I270 PolarHBondContact O-N 3.26Å; L267-M271 WeakPolarHBondContact O-CB 3.2Å; L267-M271 PolarHBondContact O-N 3.02Å
268D84.8Confident71.4Confident98 Ų98110.8 Ų110.852%0.52462%0.616SS.*Hα-helixtrans-65.5-40.9176.7-140.335.4000111L264 E266 M271 E272L264-D268 PolarHBondContact O-N 3.25Å; L264-D268 VanDerWaalsContact O-N 3.13Å; E266-D268 VanDerWaalsContact C-N 3.34Å; E266-D268 PolarHBondContact O-N 3.26Å; D268-M271 PolarHBondContact O-N 3.33Å; D268-M271 WeakPolarHBondContact OD1-CE 3.25Å; D268-E272 WeakPolarHBondContact O-CB 3.45Å; D268-E272 PolarHBondContact O-N 2.84Å
269H84.1Confident72.4Confident104 Ų104112.6 Ų112.648%0.48162%0.615SS.*Hα-helixtrans-67.9-39.1175.3-17055.7000112.9N265 E266 M271 E272 I273N265-H269 PolarHBondContact O-N 3.45Å; E266-H269 PolarHBondContact O-N 3.42Å; H269-M271 VanDerWaalsContact C-N 3.35Å; H269-E272 IonicContact ND1-OE2 3.22Å; H269-E272 PolarHBondContact O-N 2.84Å; H269-I273 VanDerWaalsContact O-CG1 3.32Å; H269-I273 WeakPolarHBondContact O-CG1 3.38Å; H269-I273 PolarHBondContact O-N 2.87Å
270I87.5Confident73.7Confident78 Ų78114.1 Ų114.140%0.462%0.62SS.*Hα-helixtrans-63.2-44.2173.7-70.4164.5000110E266 L267 E272 I273 I274E266-I270 HydrophobicContact CG-CD1 3.86Å; E266-I270 HydrophobicContact CG-CG1 4.44Å; E266-I270 WeakPolarHBondContact O-CB 3.33Å; E266-I270 WeakPolarHBondContact O-CD1 3.18Å; E266-I270 WeakPolarHBondContact O-CG1 3.12Å; E266-I270 PolarHBondContact O-N 2.89Å; L267-I270 PolarHBondContact O-N 3.26Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-I273 PolarHBondContact O-N 3.11Å; I270-I274 HydrophobicContact CG2-CD1 3.78Å; I270-I274 WeakPolarHBondContact O-CD1 3.26Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 3.38Å; I270-I274 VanDerWaalsContact O-N 3.11Å
271M88.7Confident75.3Confident101 Ų101114.6 Ų114.650%0.49862%0.615SS.*Hα-helixtrans-64.2-39.7175.8-175.4-179.45700111.5L267 D268 H269 I273 I274 V275L267-M271 WeakPolarHBondContact O-CB 3.2Å; L267-M271 PolarHBondContact O-N 3.02Å; D268-M271 PolarHBondContact O-N 3.33Å; D268-M271 WeakPolarHBondContact OD1-CE 3.25Å; H269-M271 VanDerWaalsContact C-N 3.35Å; M271-I273 PolarHBondContact O-N 2.74Å; M271-I274 PolarHBondContact O-N 2.85Å; M271-V275 HydrophobicContact CG-CG2 4.07Å; M271-V275 VanDerWaalsContact O-CB 3.26Å; M271-V275 WeakPolarHBondContact O-CB 3.46Å; M271-V275 VanDerWaalsContact O-CG2 3.24Å; M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 3.26Å
272E86.6Confident76.8Confident129 Ų129108.1 Ų108.160%0.60360%0.601SS**Hα-helixtrans-60.6-42.8175.3-173.2-177.3-171.800112D268 H269 I270 I274 V275 G276D268-E272 WeakPolarHBondContact O-CB 3.45Å; D268-E272 PolarHBondContact O-N 2.84Å; H269-E272 IonicContact ND1-OE2 3.22Å; H269-E272 PolarHBondContact O-N 2.84Å; I270-E272 VanDerWaalsContact C-N 3.35Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3.46Å; E272-V275 PolarHBondContact O-N 3.48Å; E272-G276 VanDerWaalsContact O-CA 3.24Å; E272-G276 WeakPolarHBondContact O-CA 3.32Å; E272-G276 PolarHBondContact O-N 3.5Å
273I85.2Confident78.2Confident98 Ų98110.9 Ų110.950%0.50361%0.611SS.*Hα-helixtrans-64.9-39.3176.3-67163.9000111.4H269 I270 M271H269-I273 VanDerWaalsContact O-CG1 3.32Å; H269-I273 WeakPolarHBondContact O-CG1 3.38Å; H269-I273 PolarHBondContact O-N 2.87Å; I270-I273 PolarHBondContact O-N 3.11Å; M271-I273 PolarHBondContact O-N 2.74Å
274I80.7Confident79.5Confident134 Ų134112.2 Ų112.269%0.68762%0.619SS**Hα-helixtrans-74.5-33.7-178.8-65.3166.7000111.5I270 M271 E272I270-I274 HydrophobicContact CG2-CD1 3.78Å; I270-I274 WeakPolarHBondContact O-CD1 3.26Å; I270-I274 VanDerWaalsContact O-CG1 3.25Å; I270-I274 WeakPolarHBondContact O-CG1 3.24Å; I270-I274 PolarHBondContact O-N 3.38Å; I270-I274 VanDerWaalsContact O-N 3.11Å; M271-I274 PolarHBondContact O-N 2.85Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 3.46Å
275V83.3Confident80.1Confident118 Ų118111.3 Ų111.372%0.71562%0.617SS**Hα-helixtrans-94.2-21.1-176.4176.50000112.2M271 E272M271-V275 HydrophobicContact CG-CG2 4.07Å; M271-V275 VanDerWaalsContact O-CB 3.26Å; M271-V275 WeakPolarHBondContact O-CB 3.46Å; M271-V275 VanDerWaalsContact O-CG2 3.24Å; M271-V275 WeakPolarHBondContact O-CG2 3.24Å; M271-V275 PolarHBondContact O-N 3.26Å; E272-V275 PolarHBondContact O-N 3.48Å
276G64Low80.7Confident52 Ų52109.8 Ų109.854%0.53661%0.61SS.*  trans-12874.3-173.900000113.4E272E272-G276 VanDerWaalsContact O-CA 3.24Å; E272-G276 WeakPolarHBondContact O-CA 3.32Å; E272-G276 PolarHBondContact O-N 3.5Å
277S51.6Low80.3Confident184 Ų184109.3 Ų109.3100%1.28762%0.617SS**  trans-149.60152.8-73.10000109.3

Retrieved 277 of 277 residues in 83 ms (Link to these results)