A0A5K4F3Y2_SCHMA Loading...

Conjugal transfer protein

AlphaFold DB , UniProt , Accession A0A5K4F3Y2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M60.5Low73.1Confident202 Ų202114.2 Ų114.2100%0.99560%0.604SS**  0-21.90-141.1-175.2-162.900113.2
2L59.6Low74.4Confident131 Ų131115.2 Ų115.269%0.68661%0.605SS**  trans-72.3-46.4178.4-154.871.2000112.6L4 K5L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.19Å; L2-K5 PolarHBondContact O-N 3.13Å; L2-K5 VanDerWaalsContact O-N 3.08Å
3H65.3Low75.7Confident142 Ų142112.2 Ų112.266%0.65760%0.595SS**Hα-helixtrans-57.8-36.4-178.2-62.2-53.1000115.3K5 D6 D7H3-K5 PolarHBondContact O-N 3.12Å; H3-D6 PolarHBondContact O-N 3.03Å; H3-D7 VanDerWaalsContact O-CG 3.31Å; H3-D7 PolarHBondContact O-N 3.1Å
4L64.9Low77Confident129 Ų129109.5 Ų109.568%0.67559%0.585SS**Hα-helixtrans-62.4-25.6178.6-77.1158.6000113.6L2 A8L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.19Å; L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 3.29Å
5K68.4Low78.2Confident154 Ų154111 Ų11167%0.6758%0.584SS**Hα-helixtrans-81.6-35.2178.4-67.9-172.5177.5-176.10111.8L2 H3 A9L2-K5 PolarHBondContact O-N 3.13Å; L2-K5 VanDerWaalsContact O-N 3.08Å; H3-K5 PolarHBondContact O-N 3.12Å; K5-A9 PolarHBondContact O-N 2.95Å
6D72.1Confident79.2Confident87 Ų87109.5 Ų109.547%0.46558%0.577SS.*Hα-helixtrans-69.7-45.6178.4-60.2-26.1000109.6H3 A8 A9 D10H3-D6 PolarHBondContact O-N 3.03Å; D6-A8 VanDerWaalsContact C-N 3.31Å; D6-A8 PolarHBondContact O-N 3.48Å; D6-A9 WeakPolarHBondContact O-CB 3.42Å; D6-A9 PolarHBondContact O-N 3.11Å; D6-D10 PolarHBondContact O-N 3.43Å
7D75.2Confident80.2Confident93 Ų93107.8 Ų107.850%0.49757%0.569SS.*Hα-helixtrans-57.4-43.2175.8-63.5-22.1000111.7H3 A9 D10 D11H3-D7 VanDerWaalsContact O-CG 3.31Å; H3-D7 PolarHBondContact O-N 3.1Å; D7-A9 VanDerWaalsContact C-N 3.32Å; D7-A9 PolarHBondContact O-N 2.77Å; D7-D10 PolarHBondContact O-N 3.12Å; D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.19Å
8A80.6Confident81.1Confident49 Ų49106.3 Ų106.341%0.40556%0.56SS.*Hα-helixtrans-66.1-31.9178.300000113.1L4 D6 M12L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 3.29Å; D6-A8 VanDerWaalsContact C-N 3.31Å; D6-A8 PolarHBondContact O-N 3.48Å; A8-M12 WeakPolarHBondContact O-CB 3.38Å; A8-M12 VanDerWaalsContact O-CG 3.24Å; A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.17Å; A8-M12 VanDerWaalsContact O-N 3.12Å
9A82.2Confident81.9Confident52 Ų52103.9 Ų103.943%0.4355%0.553SS.*Hα-helixtrans-72.8-38.9176.700000111.7K5 D6 D7 M12 T13K5-A9 PolarHBondContact O-N 2.95Å; D6-A9 WeakPolarHBondContact O-CB 3.42Å; D6-A9 PolarHBondContact O-N 3.11Å; D7-A9 VanDerWaalsContact C-N 3.32Å; D7-A9 PolarHBondContact O-N 2.77Å; A9-M12 PolarHBondContact O-N 3.1Å; A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.67Å
10D86.3Confident82.7Confident105 Ų105105.8 Ų105.856%0.56156%0.556SS**Hα-helixtrans-66.6-41.1175.2-75.2-14.1000111.5D6 D7 T13 T14D6-D10 PolarHBondContact O-N 3.43Å; D7-D10 PolarHBondContact O-N 3.12Å; D10-T13 PolarHBondContact O-N 3.22Å; D10-T14 WeakPolarHBondContact O-CB 3.47Å; D10-T14 PolarHBondContact O-N 3.44Å; D10-T14 PolarHBondContact O-OG1 3.36Å
11D88.8Confident83.4Confident112 Ų112107 Ų10760%0.59956%0.559SS**Hα-helixtrans-62.5-44.4175-79-14.9000112D7 T14 F15D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.19Å; D11-T14 PolarHBondContact O-N 2.86Å; D11-F15 WeakPolarHBondContact O-CB 3.34Å; D11-F15 PolarHBondContact O-N 3.29Å
12M89.5Confident85.1Confident126 Ų126101.9 Ų101.962%0.62154%0.535SS*.Hα-helixtrans-64.3-41.9177.4-74.3-67.8154.700112A8 A9 T14 F15 D16A8-M12 WeakPolarHBondContact O-CB 3.38Å; A8-M12 VanDerWaalsContact O-CG 3.24Å; A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.17Å; A8-M12 VanDerWaalsContact O-N 3.12Å; A9-M12 PolarHBondContact O-N 3.1Å; M12-T14 VanDerWaalsContact C-N 3.3Å; M12-T14 PolarHBondContact O-N 3.26Å; M12-F15 PolarHBondContact O-N 3.4Å; M12-D16 PolarHBondContact O-N 3.28Å
13T91.3Very high86.9Confident77 Ų77100.7 Ų100.747%0.47253%0.526SS..Hα-helixtrans-62.8-40.7175.7-57.40000111.1A9 D10 N17A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.67Å; D10-T13 PolarHBondContact O-N 3.22Å; T13-N17 WeakPolarHBondContact O-CB 3.41Å; T13-N17 PolarHBondContact O-N 3.39Å; T13-N17 VanDerWaalsContact O-N 3.07Å; T13-N17 PolarHBondContact O-ND2 3.22Å
14T93.2Very high88.5Confident74 Ų74100.2 Ų100.245%0.45452%0.522SS..Hα-helixtrans-65-44.8176.8-59.10000111.3D10 D11 M12 N17 I18D10-T14 WeakPolarHBondContact O-CB 3.47Å; D10-T14 PolarHBondContact O-N 3.44Å; D10-T14 PolarHBondContact O-OG1 3.36Å; D11-T14 PolarHBondContact O-N 2.86Å; M12-T14 VanDerWaalsContact C-N 3.3Å; M12-T14 PolarHBondContact O-N 3.26Å; T14-N17 PolarHBondContact O-N 2.99Å; T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.43Å
15F94.5Very high90Very high132 Ų13299.3 Ų99.358%0.57952%0.517SS*.Hα-helixtrans-59.9-47.4176.3179.3-95.3000112.2D11 M12 N17 I18 S19D11-F15 WeakPolarHBondContact O-CB 3.34Å; D11-F15 PolarHBondContact O-N 3.29Å; M12-F15 PolarHBondContact O-N 3.4Å; F15-N17 VanDerWaalsContact C-N 3.3Å; F15-N17 PolarHBondContact O-N 3.34Å; F15-I18 PolarHBondContact O-N 3.4Å; F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.99Å
16D94.9Very high91.4Very high87 Ų8795.7 Ų95.747%0.46550%0.502SS..Hα-helixtrans-61.4-39.5178.3-81.5-11000112.1M12 S19 K20M12-D16 PolarHBondContact O-N 3.28Å; D16-S19 PolarHBondContact O-N 3.32Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.41Å; D16-K20 PolarHBondContact O-N 3.36Å
17N95.6Very high92.6Very high81 Ų8194.9 Ų94.943%0.43350%0.497SS..Hα-helixtrans-66.1-45.2176.7-73.9-25.9000111.9T13 T14 F15 S19 K20 Q21T13-N17 WeakPolarHBondContact O-CB 3.41Å; T13-N17 PolarHBondContact O-N 3.39Å; T13-N17 VanDerWaalsContact O-N 3.07Å; T13-N17 PolarHBondContact O-ND2 3.22Å; T14-N17 PolarHBondContact O-N 2.99Å; F15-N17 VanDerWaalsContact C-N 3.3Å; F15-N17 PolarHBondContact O-N 3.34Å; N17-S19 VanDerWaalsContact C-N 3.35Å; N17-K20 PolarHBondContact O-N 3.3Å; N17-Q21 WeakPolarHBondContact O-CG 3.39Å; N17-Q21 PolarHBondContact O-N 2.89Å
18I96.4Very high93.7Very high81 Ų8194.5 Ų94.542%0.41549%0.493SS..Hα-helixtrans-62.8-43.1175.7-69.2169000110.5T14 F15 K20 Q21 N22T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.43Å; F15-I18 PolarHBondContact O-N 3.4Å; I18-K20 PolarHBondContact O-N 3.34Å; I18-Q21 PolarHBondContact O-N 3.07Å; I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.29Å; I18-N22 PolarHBondContact O-N 3.19Å
19S96.7Very high94.5Very high60 Ų6097.3 Ų97.342%0.4249%0.494SS..Hα-helixtrans-59.2-45.3177.8-174.40000111.7F15 D16 N17 Q21 N22 Q23F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.99Å; D16-S19 PolarHBondContact O-N 3.32Å; N17-S19 VanDerWaalsContact C-N 3.35Å; S19-Q21 PolarHBondContact O-N 3.1Å; S19-N22 PolarHBondContact O-N 3.02Å; S19-Q23 PolarHBondContact O-N 3.07Å
20K97.2Very high95.3Very high141 Ų14199.2 Ų99.261%0.61349%0.494SS*.Hα-helixtrans-62.4-42174.5-73.7169.1-176.1167.30112.5D16 N17 I18 Q23 K24D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.41Å; D16-K20 PolarHBondContact O-N 3.36Å; N17-K20 PolarHBondContact O-N 3.3Å; I18-K20 PolarHBondContact O-N 3.34Å; K20-Q23 PolarHBondContact O-N 3.4Å; K20-K24 PolarHBondContact O-N 3.29Å
21Q97.7Very high95.8Very high133 Ų133100.2 Ų100.262%0.62150%0.495SS*.Hα-helixtrans-64.3-43176.7-73.9176.8-7.600111.7N17 I18 S19 K24 L25N17-Q21 WeakPolarHBondContact O-CG 3.39Å; N17-Q21 PolarHBondContact O-N 2.89Å; I18-Q21 PolarHBondContact O-N 3.07Å; S19-Q21 PolarHBondContact O-N 3.1Å; Q21-K24 PolarHBondContact O-N 2.95Å; Q21-L25 PolarHBondContact O-N 3.42Å
22N97.2Very high96.3Very high94 Ų94100.1 Ų100.150%0.50349%0.494SS..Hα-helixtrans-63.4-42.3176.8-73.9-15.6000111.7I18 S19 K24 L25 F26I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.29Å; I18-N22 PolarHBondContact O-N 3.19Å; S19-N22 PolarHBondContact O-N 3.02Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.32Å; N22-L25 PolarHBondContact O-N 2.95Å; N22-F26 WeakPolarHBondContact O-CB 3.43Å; N22-F26 PolarHBondContact O-N 3.33Å
23Q97.1Very high96.7Very high106 Ų10697.4 Ų97.450%0.49548%0.48SS..Hα-helixtrans-63.1-41.4175.7-173.262.15600111.7S19 K20 F26 N27S19-Q23 PolarHBondContact O-N 3.07Å; K20-Q23 PolarHBondContact O-N 3.4Å; Q23-F26 PolarHBondContact O-N 2.9Å; Q23-N27 PolarHBondContact NE2-OD1 3.36Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 3.34Å; Q23-N27 PolarHBondContact O-OD1 2.99Å
24K98Very high97Very high131 Ų131100 Ų10057%0.5749%0.486SS*.Hα-helixtrans-61.1-46.7175.3-179.1178170.9-178.20111.3K20 Q21 N22 F26 N27 E28K20-K24 PolarHBondContact O-N 3.29Å; Q21-K24 PolarHBondContact O-N 2.95Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.32Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.43Å; K24-N27 PolarHBondContact O-N 3.28Å; K24-E28 WeakPolarHBondContact CE-OE1 3.28Å; K24-E28 IonicContact NZ-OE1 2.72Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 2.93Å
25L98Very high97.2Very high110 Ų11099.4 Ų99.458%0.57648%0.483SS*.Hα-helixtrans-61.8-39177.7-17862.1000112.1Q21 N22 E28 Y29Q21-L25 PolarHBondContact O-N 3.42Å; N22-L25 PolarHBondContact O-N 2.95Å; L25-E28 PolarHBondContact O-N 2.93Å; L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.2Å
26F97.1Very high97.3Very high79 Ų7996.8 Ų96.835%0.34647%0.474SS..Hα-helixtrans-63.2-45.1176.2-175.1-95000111.7N22 Q23 K24 E28 Y29 E30N22-F26 WeakPolarHBondContact O-CB 3.43Å; N22-F26 PolarHBondContact O-N 3.33Å; Q23-F26 PolarHBondContact O-N 2.9Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.43Å; F26-E28 PolarHBondContact O-N 3.32Å; F26-Y29 WeakPolarHBondContact O-CB 3.49Å; F26-Y29 PolarHBondContact O-N 3.35Å; F26-E30 HydrophobicContact CD1-CG 4.31Å; F26-E30 HydrophobicContact CE1-CG 3.87Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.39Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.46Å; F26-E30 HydrophobicContact CZ-CG 4.13Å; F26-E30 PolarHBondContact O-N 3.23Å
27N97.4Very high97.4Very high69 Ų6998.2 Ų98.237%0.36948%0.478SS..Hα-helixtrans-62.4-44.2176.6-64-2.3000111.5Q23 K24 Y29 E30 E31Q23-N27 PolarHBondContact NE2-OD1 3.36Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 3.34Å; Q23-N27 PolarHBondContact O-OD1 2.99Å; K24-N27 PolarHBondContact O-N 3.28Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 2.93Å; N27-E30 PolarHBondContact O-N 3.49Å; N27-E31 WeakPolarHBondContact O-CG 3.31Å; N27-E31 PolarHBondContact O-N 2.93Å
28E98.1Very high97.5Very high86 Ų86100 Ų10040%0.40249%0.487SS..Hα-helixtrans-61.4-38.1175.9-72.9176.4-16600111.9K24 L25 F26 L32K24-E28 WeakPolarHBondContact CE-OE1 3.28Å; K24-E28 IonicContact NZ-OE1 2.72Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 2.93Å; L25-E28 PolarHBondContact O-N 2.93Å; F26-E28 PolarHBondContact O-N 3.32Å; E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3Å
29Y97.8Very high97.6Very high108 Ų108102.6 Ų102.642%0.42450%0.495SS..Hα-helixtrans-63.5-45.1174.7170.9-95.3000112.1L25 F26 N27 L32 Q33L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.2Å; F26-Y29 WeakPolarHBondContact O-CB 3.49Å; F26-Y29 PolarHBondContact O-N 3.35Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 2.93Å; Y29-L32 PolarHBondContact O-N 2.95Å; Y29-Q33 HydrophobicContact CD1-CG 4.33Å; Y29-Q33 HydrophobicContact CE1-CG 3.84Å; Y29-Q33 HydrophobicContact CE2-CG 4.04Å; Y29-Q33 WeakPolarHBondContact O-CG 3.44Å; Y29-Q33 PolarHBondContact O-N 3.49Å; Y29-Q33 PolarHBondContact OH-NE2 2.89Å; Y29-Q33 VanDerWaalsContact OH-NE2 3.17Å
30E97.8Very high97.6Very high91 Ų91105.4 Ų105.443%0.42550%0.502SS..Hα-helixtrans-63.3-41.7177.4-71.8-168.2134.400112F26 N27 Q33 Q34F26-E30 HydrophobicContact CD1-CG 4.31Å; F26-E30 HydrophobicContact CE1-CG 3.87Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.39Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.46Å; F26-E30 HydrophobicContact CZ-CG 4.13Å; F26-E30 PolarHBondContact O-N 3.23Å; N27-E30 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact O-N 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.49Å; E30-Q34 PolarHBondContact O-N 3.43Å
31E98Very high97.6Very high126 Ų126101.3 Ų101.359%0.58949%0.494SS*.Hα-helixtrans-62.6-41.9175.5-72.9-180-179.400112.3N27 Q34 T35N27-E31 WeakPolarHBondContact O-CG 3.31Å; N27-E31 PolarHBondContact O-N 2.93Å; E31-Q34 PolarHBondContact O-N 3.28Å; E31-T35 WeakPolarHBondContact O-CB 3.5Å; E31-T35 PolarHBondContact O-N 2.94Å; E31-T35 PolarHBondContact O-OG1 3.43Å
32L98.3Very high97.6Very high111 Ų11198.4 Ų98.458%0.58149%0.486SS*.Hα-helixtrans-64.8-41.6175.6-78.1171.5000111.8E28 Y29 T35 I36E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3Å; Y29-L32 PolarHBondContact O-N 2.95Å; L32-T35 WeakPolarHBondContact O-CB 3.46Å; L32-T35 PolarHBondContact O-N 3.47Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.01Å
33Q98Very high97.7Very high69 Ų6998.3 Ų98.332%0.32248%0.484SS..Hα-helixtrans-60.2-45.7175.9-78.4-68.6-17.500111.8Y29 E30 T35 I36 Q37Y29-Q33 HydrophobicContact CD1-CG 4.33Å; Y29-Q33 HydrophobicContact CE1-CG 3.84Å; Y29-Q33 HydrophobicContact CE2-CG 4.04Å; Y29-Q33 WeakPolarHBondContact O-CG 3.44Å; Y29-Q33 PolarHBondContact O-N 3.49Å; Y29-Q33 PolarHBondContact OH-NE2 2.89Å; Y29-Q33 VanDerWaalsContact OH-NE2 3.17Å; E30-Q33 PolarHBondContact O-N 3.47Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.27Å; Q33-I36 PolarHBondContact O-N 3.35Å; Q33-Q37 WeakPolarHBondContact O-CG 3.29Å; Q33-Q37 PolarHBondContact O-N 3.09Å
34Q97.3Very high97.7Very high130 Ų13099.2 Ų99.261%0.60749%0.486SS*.Hα-helixtrans-62.2-40.7175.6-69175.522.600111.8E30 E31 I36 Q37 L38E30-Q34 WeakPolarHBondContact O-CG 3.49Å; E30-Q34 PolarHBondContact O-N 3.43Å; E31-Q34 PolarHBondContact O-N 3.28Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 2.72Å; Q34-Q37 PolarHBondContact O-N 3.35Å; Q34-L38 PolarHBondContact O-N 2.98Å
35T97.5Very high97.6Very high62 Ų6296.3 Ų96.338%0.3848%0.48SS..Hα-helixtrans-63-40.3176.5-60.10000111.9E31 L32 Q33 L38 K39E31-T35 WeakPolarHBondContact O-CB 3.5Å; E31-T35 PolarHBondContact O-N 2.94Å; E31-T35 PolarHBondContact O-OG1 3.43Å; L32-T35 WeakPolarHBondContact O-CB 3.46Å; L32-T35 PolarHBondContact O-N 3.47Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.27Å; T35-L38 PolarHBondContact O-N 3.42Å; T35-K39 HydrophobicContact CG2-CD 4.35Å; T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.26Å
36I97Very high97.6Very high78 Ų7895.8 Ų95.840%0.448%0.477SS..Hα-helixtrans-62.1-49.8176-72.3164.9000110L32 Q33 Q34 L38 K39 E40L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.01Å; Q33-I36 PolarHBondContact O-N 3.35Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 2.72Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3Å; I36-K39 PolarHBondContact O-N 2.93Å; I36-K39 VanDerWaalsContact O-N 3.09Å; I36-E40 HydrophobicContact CG2-CG 4.31Å; I36-E40 WeakPolarHBondContact O-CG 3.46Å; I36-E40 PolarHBondContact O-N 3.06Å
37Q97Very high97.6Very high117 Ų11797.5 Ų97.555%0.54749%0.486SS..Hα-helixtrans-58.6-41.9179.4-70.6175.3-3.600112.3Q33 Q34 K39 E40 A41Q33-Q37 WeakPolarHBondContact O-CG 3.29Å; Q33-Q37 PolarHBondContact O-N 3.09Å; Q34-Q37 PolarHBondContact O-N 3.35Å; Q37-K39 PolarHBondContact O-N 3.49Å; Q37-E40 PolarHBondContact O-N 3.33Å; Q37-A41 PolarHBondContact O-N 3.17Å
38L97.9Very high97.6Very high119 Ų11998.8 Ų98.862%0.62349%0.49SS*.Hα-helixtrans-63.4-41.3176.2-178.763.3000112.1Q34 T35 I36 A41 T42Q34-L38 PolarHBondContact O-N 2.98Å; T35-L38 PolarHBondContact O-N 3.42Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3Å; L38-A41 PolarHBondContact O-N 3.3Å; L38-T42 PolarHBondContact O-N 3.36Å; L38-T42 PolarHBondContact O-OG1 3.05Å
39K97.8Very high97.6Very high134 Ų13499.7 Ų99.758%0.58349%0.494SS*.Hα-helixtrans-67-40.3176.7-75.1-179.5178.1-173.50111.9T35 I36 Q37 T42 I43T35-K39 HydrophobicContact CG2-CD 4.35Å; T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.26Å; I36-K39 PolarHBondContact O-N 2.93Å; I36-K39 VanDerWaalsContact O-N 3.09Å; Q37-K39 PolarHBondContact O-N 3.49Å; K39-T42 PolarHBondContact O-N 3.27Å; K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 2.94Å; K39-I43 PolarHBondContact O-N 3.5Å
40E98Very high97.6Very high120 Ų12099.5 Ų99.556%0.56150%0.5SS*.Hα-helixtrans-61.7-44175.2-72.6177.7157.300111.5I36 Q37 T42 I43 K44I36-E40 HydrophobicContact CG2-CG 4.31Å; I36-E40 WeakPolarHBondContact O-CG 3.46Å; I36-E40 PolarHBondContact O-N 3.06Å; Q37-E40 PolarHBondContact O-N 3.33Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.18Å; E40-I43 PolarHBondContact O-N 3Å; E40-K44 PolarHBondContact O-N 2.93Å
41A97.1Very high97.5Very high54 Ų54100.2 Ų100.245%0.44651%0.507SS..Hα-helixtrans-60.3-43.3173.900000111.8Q37 L38 K44 T45Q37-A41 PolarHBondContact O-N 3.17Å; L38-A41 PolarHBondContact O-N 3.3Å; A41-K44 WeakPolarHBondContact O-CB 3.41Å; A41-K44 PolarHBondContact O-N 3.08Å; A41-T45 PolarHBondContact O-N 3.36Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.01Å
42T97.7Very high97.4Very high73 Ų73100.2 Ų100.245%0.44851%0.507SS..Hα-helixtrans-63.6-43.9178-56.20000111.9L38 K39 E40 K44 T45 L46L38-T42 PolarHBondContact O-N 3.36Å; L38-T42 PolarHBondContact O-OG1 3.05Å; K39-T42 PolarHBondContact O-N 3.27Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.18Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 3.11Å; T42-T45 PolarHBondContact O-N 2.84Å; T42-L46 HydrophobicContact CG2-CD1 4.2Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 3.09Å
43I97.9Very high97.4Very high92 Ų92100.4 Ų100.447%0.47251%0.508SS..Hα-helixtrans-59.6-43.1176.3-72.6165.2000110.4K39 E40 L46 Q47K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 2.94Å; K39-I43 PolarHBondContact O-N 3.5Å; E40-I43 PolarHBondContact O-N 3Å; I43-L46 PolarHBondContact O-N 3.25Å; I43-Q47 HydrophobicContact CG2-CG 4.39Å; I43-Q47 WeakPolarHBondContact O-CB 3.4Å; I43-Q47 VanDerWaalsContact O-CG 3.29Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3.28Å
44K97.6Very high97.3Very high125 Ų12599.4 Ų99.454%0.54351%0.508SS..Hα-helixtrans-61.2-45.7178.1-173.4-178.6175.7-173.70111.8E40 A41 T42 L46 Q47 E48E40-K44 PolarHBondContact O-N 2.93Å; A41-K44 WeakPolarHBondContact O-CB 3.41Å; A41-K44 PolarHBondContact O-N 3.08Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 3.11Å; K44-L46 PolarHBondContact O-N 3.29Å; K44-Q47 WeakPolarHBondContact O-CB 3.36Å; K44-Q47 PolarHBondContact O-N 3Å; K44-E48 VanDerWaalsContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.47Å
45T96.9Very high97.2Very high70 Ų7097.5 Ų97.543%0.42950%0.5SS..Hα-helixtrans-60.4-45.7175.8-59.40000111.8A41 T42 Q47 E48 E49A41-T45 PolarHBondContact O-N 3.36Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.01Å; T42-T45 PolarHBondContact O-N 2.84Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.03Å; T45-E48 WeakPolarHBondContact O-CB 3.46Å; T45-E48 PolarHBondContact O-N 2.89Å; T45-E48 VanDerWaalsContact O-N 3.17Å; T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.46Å
46L97.6Very high97Very high98 Ų9899 Ų9951%0.51351%0.505SS..Hα-helixtrans-63-35.5177.6-72.4170.9000112.7T42 I43 K44 N50T42-L46 HydrophobicContact CG2-CD1 4.2Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 3.09Å; I43-L46 PolarHBondContact O-N 3.25Å; K44-L46 PolarHBondContact O-N 3.29Å; L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.29Å; L46-N50 PolarHBondContact O-N 2.78Å
47Q97.9Very high96.9Very high115 Ų115102.8 Ų102.854%0.53752%0.516SS..Hα-helixtrans-65.9-42.7174.2-75.3172.8-19.200111.5I43 K44 T45 N50 N51I43-Q47 HydrophobicContact CG2-CG 4.39Å; I43-Q47 WeakPolarHBondContact O-CB 3.4Å; I43-Q47 VanDerWaalsContact O-CG 3.29Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3.28Å; K44-Q47 WeakPolarHBondContact O-CB 3.36Å; K44-Q47 PolarHBondContact O-N 3Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.03Å; Q47-N50 PolarHBondContact O-N 2.87Å; Q47-N51 WeakPolarHBondContact O-CB 3.42Å; Q47-N51 PolarHBondContact O-N 2.98Å; Q47-N51 PolarHBondContact O-ND2 3.43Å
48E97.2Very high96.8Very high96 Ų96102.3 Ų102.345%0.44951%0.512SS..Hα-helixtrans-62.2-45.5175.4-71.4171.7-170.600111.5K44 T45 N51 Q52K44-E48 VanDerWaalsContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.47Å; T45-E48 WeakPolarHBondContact O-CB 3.46Å; T45-E48 PolarHBondContact O-N 2.89Å; T45-E48 VanDerWaalsContact O-N 3.17Å; E48-N51 PolarHBondContact O-N 3.24Å; E48-Q52 WeakPolarHBondContact O-CG 3.31Å; E48-Q52 PolarHBondContact O-N 3.44Å
49E97Very high96.5Very high106 Ų106100.2 Ų100.250%0.49550%0.501SS..Hα-helixtrans-61.1-44.7175.5-71.9175.9-177.700112.2T45 N51 Q52 L53T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.46Å; E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 2.79Å; E49-Q52 PolarHBondContact O-N 3.38Å; E49-L53 PolarHBondContact O-N 3.33Å
50N97.6Very high96.3Very high103 Ų10398.7 Ų98.755%0.55150%0.498SS*.Hα-helixtrans-63.3-41.2178-170.42.8000111.6L46 Q47 Q52 L53 S54L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.29Å; L46-N50 PolarHBondContact O-N 2.78Å; Q47-N50 PolarHBondContact O-N 2.87Å; N50-Q52 PolarHBondContact O-N 2.97Å; N50-L53 PolarHBondContact O-N 3.49Å; N50-S54 WeakPolarHBondContact O-CB 3.37Å; N50-S54 PolarHBondContact O-N 2.87Å
51N96.6Very high96Very high106 Ų10697.2 Ų97.257%0.56749%0.494SS*.Hα-helixtrans-61.4-43.5175.3-72.1-22.5000111.6Q47 E48 E49 L53 S54 E55Q47-N51 WeakPolarHBondContact O-CB 3.42Å; Q47-N51 PolarHBondContact O-N 2.98Å; Q47-N51 PolarHBondContact O-ND2 3.43Å; E48-N51 PolarHBondContact O-N 3.24Å; E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 2.79Å; N51-L53 PolarHBondContact O-N 3.03Å; N51-S54 PolarHBondContact O-N 3.04Å; N51-E55 WeakPolarHBondContact O-CG 3.34Å; N51-E55 PolarHBondContact O-N 3.36Å
52Q96Very high95.7Very high126 Ų126100.3 Ų100.359%0.58950%0.499SS*.Hα-helixtrans-62.4-42.3175.8-69.6174.622.700112.1E48 E49 N50 E55 N56E48-Q52 WeakPolarHBondContact O-CG 3.31Å; E48-Q52 PolarHBondContact O-N 3.44Å; E49-Q52 PolarHBondContact O-N 3.38Å; N50-Q52 PolarHBondContact O-N 2.97Å; Q52-E55 PolarHBondContact O-N 2.86Å; Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.48Å; Q52-N56 PolarHBondContact O-ND2 3.03Å
53L96.9Very high95.3Very high115 Ų115103.7 Ų103.760%0.60251%0.507SS*.Hα-helixtrans-64.1-42177.2-175.661.1000111.8E49 N50 N51 N56 Y57E49-L53 PolarHBondContact O-N 3.33Å; N50-L53 PolarHBondContact O-N 3.49Å; N51-L53 PolarHBondContact O-N 3.03Å; L53-N56 PolarHBondContact O-N 3.39Å; L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.28Å
54S96Very high94.7Very high48 Ų48104.1 Ų104.134%0.33651%0.51SS..Hα-helixtrans-61.3-45.1176.3-173.90000111.9N50 N51 Y57 K58N50-S54 WeakPolarHBondContact O-CB 3.37Å; N50-S54 PolarHBondContact O-N 2.87Å; N51-S54 PolarHBondContact O-N 3.04Å; S54-Y57 PolarHBondContact O-N 2.81Å; S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.43Å
55E95.1Very high93.9Very high91 Ų91101.6 Ų101.643%0.42551%0.506SS..Hα-helixtrans-66.1-40.5175.7-70.3-54.4126.100112.3N51 Q52 Y57 K58 N59N51-E55 WeakPolarHBondContact O-CG 3.34Å; N51-E55 PolarHBondContact O-N 3.36Å; Q52-E55 PolarHBondContact O-N 2.86Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.21Å; E55-K58 PolarHBondContact O-N 3.49Å; E55-K58 IonicContact OE1-NZ 3.93Å; E55-K58 PolarHBondContact OE1-NZ 2.88Å; E55-N59 WeakPolarHBondContact O-CB 3.35Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.41Å; E55-N59 PolarHBondContact O-ND2 3.26Å
56N94.5Very high92.9Very high92 Ų92101 Ų10149%0.49250%0.504SS..Hα-helixtrans-60.2-42.8173.6-76.2-22.7000112Q52 L53 N59 I60Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.48Å; Q52-N56 PolarHBondContact O-ND2 3.03Å; L53-N56 PolarHBondContact O-N 3.39Å; N56-N59 PolarHBondContact O-N 3.24Å; N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.32Å
57Y94.4Very high91.4Very high159 Ų159101.1 Ų101.162%0.62451%0.505SS*.Hα-helixtrans-61.3-47.7176.2176.7-99.7000111.8L53 S54 E55 N59 I60 L61L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.28Å; S54-Y57 PolarHBondContact O-N 2.81Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.21Å; Y57-N59 VanDerWaalsContact C-N 3.33Å; Y57-N59 PolarHBondContact O-N 3.02Å; Y57-I60 PolarHBondContact O-N 3.01Å; Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 3.46Å
58K94.6Very high89.4Confident107 Ų107101 Ų10147%0.46551%0.508SS..Hα-helixtrans-58.5-44.1175.6-70.3174.2-168167.80111.9S54 E55 I60 L61 Q62S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.43Å; E55-K58 PolarHBondContact O-N 3.49Å; E55-K58 IonicContact OE1-NZ 3.93Å; E55-K58 PolarHBondContact OE1-NZ 2.88Å; K58-I60 PolarHBondContact O-N 3.35Å; K58-L61 PolarHBondContact O-N 3.02Å; K58-Q62 WeakPolarHBondContact O-CB 3.44Å; K58-Q62 PolarHBondContact O-N 2.99Å
59N92.4Very high87.4Confident74 Ų74102.1 Ų102.140%0.39652%0.516SS..Hα-helixtrans-62.5-41.5178.4-75.1-30.2000112.5E55 N56 Y57 K63E55-N59 WeakPolarHBondContact O-CB 3.35Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.41Å; E55-N59 PolarHBondContact O-ND2 3.26Å; N56-N59 PolarHBondContact O-N 3.24Å; Y57-N59 VanDerWaalsContact C-N 3.33Å; Y57-N59 PolarHBondContact O-N 3.02Å; N59-K63 WeakPolarHBondContact O-CG 3.32Å; N59-K63 PolarHBondContact O-N 2.94Å
60I92.5Very high85.3Confident103 Ų103103.6 Ų103.653%0.52853%0.527SS..Hα-helixtrans-65.6-45.8175.9-69.2166.6000110.4N56 Y57 K58 Q62 K63 L64N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.32Å; Y57-I60 PolarHBondContact O-N 3.01Å; K58-I60 PolarHBondContact O-N 3.35Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 2.98Å; I60-K63 PolarHBondContact O-N 3.04Å; I60-L64 HydrophobicContact CG2-CD1 4.14Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.5Å; I60-L64 PolarHBondContact O-N 3.02Å
61L92.1Very high83Confident88 Ų88107.2 Ų107.246%0.46154%0.538SS..Hα-helixtrans-59.2-43.1178.4-175.863.7000111.5Y57 K58 L64 T65Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 3.46Å; K58-L61 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.35Å; L61-T65 WeakPolarHBondContact O-CG2 3.43Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 3.43Å
62Q90.7Very high80.9Confident120 Ų120108.6 Ų108.656%0.56155%0.546SS*.Hα-helixtrans-62.8-43.5175.5-171.5-1794900112.2K58 I60 L64 T65 S66K58-Q62 WeakPolarHBondContact O-CB 3.44Å; K58-Q62 PolarHBondContact O-N 2.99Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 2.98Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.33Å; Q62-T65 PolarHBondContact O-N 3.27Å; Q62-T65 PolarHBondContact O-OG1 3.48Å; Q62-S66 WeakPolarHBondContact O-CB 3.24Å; Q62-S66 PolarHBondContact O-N 3.27Å; Q62-S66 PolarHBondContact O-OG 2.9Å; Q62-S66 VanDerWaalsContact O-OG 3.1Å
63K89.9Confident78.6Confident143 Ų143110.1 Ų110.162%0.62256%0.558SS**Hα-helixtrans-61.3-39.9176.4-74.9175-179.8178.10112.1N59 I60 N67N59-K63 WeakPolarHBondContact O-CG 3.32Å; N59-K63 PolarHBondContact O-N 2.94Å; I60-K63 PolarHBondContact O-N 3.04Å; K63-N67 VanDerWaalsContact O-CB 3.28Å; K63-N67 WeakPolarHBondContact O-CB 3.48Å; K63-N67 PolarHBondContact O-N 2.92Å; K63-N67 PolarHBondContact O-ND2 3.23Å
64L86Confident76.1Confident102 Ų102108.3 Ų108.353%0.53457%0.567SS.*Hα-helixtrans-64.7-42.9177-70.4172000111.9I60 L61 Q62 N68I60-L64 HydrophobicContact CG2-CD1 4.14Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.5Å; I60-L64 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.35Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.33Å; L64-N68 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-ND2 3.2Å
65T81Confident73.7Confident72 Ų72110.5 Ų110.544%0.44258%0.582SS.*Hα-helixtrans-70.5-40.9178.5560000112.1L61 Q62 N68 I69L61-T65 WeakPolarHBondContact O-CG2 3.43Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 3.43Å; Q62-T65 PolarHBondContact O-N 3.27Å; Q62-T65 PolarHBondContact O-OG1 3.48Å; T65-N68 PolarHBondContact O-N 3.43Å; T65-I69 PolarHBondContact O-N 3.03Å
66S74.5Confident71.3Confident56 Ų56114.6 Ų114.639%0.39261%0.607SS.*Hα-helixtrans-65-38.1175.8-62.40000113.2Q62 N68 I69 N70Q62-S66 WeakPolarHBondContact O-CB 3.24Å; Q62-S66 PolarHBondContact O-N 3.27Å; Q62-S66 PolarHBondContact O-OG 2.9Å; Q62-S66 VanDerWaalsContact O-OG 3.1Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.93Å; S66-I69 PolarHBondContact O-N 3.48Å; S66-N70 PolarHBondContact O-N 3.01Å
67N65.6Low69.3Low102 Ų102115.4 Ų115.455%0.54562%0.615SS.*Hα-helixtrans-65.9-28177.7-75.2-17.3000112.9K63K63-N67 VanDerWaalsContact O-CB 3.28Å; K63-N67 WeakPolarHBondContact O-CB 3.48Å; K63-N67 PolarHBondContact O-N 2.92Å; K63-N67 PolarHBondContact O-ND2 3.23Å
68N57.9Low66.8Low113 Ų113113.5 Ų113.560%0.60462%0.616SS**Hα-helixtrans-76.9-29.5176.6-75.2-27.5000113.1L64 T65 S66L64-N68 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-ND2 3.2Å; T65-N68 PolarHBondContact O-N 3.43Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.93Å
69I55.2Low64.7Low118 Ų118114.6 Ų114.661%0.60563%0.631SS**Hα-helixtrans-76.9-35.3-179.6-63.2170.1000111T65 S66T65-I69 PolarHBondContact O-N 3.03Å; S66-I69 PolarHBondContact O-N 3.48Å
70N52.3Low62.6Low138 Ų138116.9 Ų116.974%0.73864%0.644SS**Hα-helixtrans-82-12.9-175.4-79.9-11.9000115.5S66S66-N70 PolarHBondContact O-N 3.01Å
71K49Very low60.5Low178 Ų178119.4 Ų119.477%0.77466%0.658SS**THydrogen-bonded Turntrans-91.9-11.1177.9-81.1-172.3175.8-178.20115.1
72N51.4Low58.5Low136 Ų136124.1 Ų124.173%0.72768%0.68SS**SBendtrans-98.41.6-173.8-75-11.9000115.7
73N48.5Very low56.4Low158 Ų158127.5 Ų127.585%0.84569%0.693SS**SBendtrans-108.915.9-176.9-85.1-2.8000115.3
74G44.2Very low54.3Low77 Ų77132.4 Ų132.479%0.79471%0.708SS**SBendtrans-137.62.7-172.600000117.7
75S46Very low52.5Low94 Ų94134.4 Ų134.466%0.65772%0.718SS**  trans-127112179.9-162.60000110.5V77S75-V77 PolarHBondContact O-N 3.2Å
76N44.5Very low51Low177 Ų177137.1 Ų137.195%0.94773%0.729SS**  trans-57.780.1164.9-97.9-19.2000109.3N78N76-N78 PolarHBondContact O-N 3.49Å
77V52.7Low49.7Very low109 Ų109138.5 Ų138.566%0.66175%0.752SS**  trans-83.198.6162.6-177.90000106.3S75 T79S75-V77 PolarHBondContact O-N 3.2Å; V77-T79 PolarHBondContact O-N 3Å
78N41.9Very low48.9Very low119 Ų119138.6 Ų138.664%0.63676%0.757SS**  trans-49.5101.1169.9176.46.2000110N76 N80N76-N78 PolarHBondContact O-N 3.49Å; N78-N80 VanDerWaalsContact C-N 3.33Å; N78-N80 VanDerWaalsContact OD1-CB 3.28Å; N78-N80 WeakPolarHBondContact OD1-CB 3.48Å; N78-N80 PolarHBondContact OD1-N 3.44Å; N78-N80 VanDerWaalsContact OD1-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.39Å; N78-N80 VanDerWaalsContact OD1-ND2 3.1Å
79T50.9Low48.7Very low129 Ų129144.3 Ų144.379%0.79177%0.771SS**  trans-98.750.7172.146.40000110.2V77 N81V77-T79 PolarHBondContact O-N 3Å; T79-N81 PolarHBondContact O-N 2.83Å
80N48.4Very low48.3Very low123 Ų123146.8 Ų146.866%0.65878%0.78SS**  trans-75.4120.6160.2-71.4-21.9000108N78N78-N80 VanDerWaalsContact C-N 3.33Å; N78-N80 VanDerWaalsContact OD1-CB 3.28Å; N78-N80 WeakPolarHBondContact OD1-CB 3.48Å; N78-N80 PolarHBondContact OD1-N 3.44Å; N78-N80 VanDerWaalsContact OD1-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.39Å; N78-N80 VanDerWaalsContact OD1-ND2 3.1Å
81N48.7Very low48.4Very low156 Ų156147.5 Ų147.583%0.83478%0.783SS**  trans100.461.7169-50.4-13.3000117.4T79T79-N81 PolarHBondContact O-N 2.83Å
82M48.4Very low48.6Very low186 Ų186145.9 Ų145.992%0.91678%0.783SS**  trans-13880.1148-129.6172-8400110.8R84M82-R84 PolarHBondContact O-N 3.03Å
83K47.1Very low48.3Very low191 Ų191148.7 Ų148.783%0.8379%0.788SS**  trans-74.9116.7170.5-159.4179.6-172.8-176.40107.5I85K83-I85 PolarHBondContact O-N 3.35Å
84R45.7Very low48.2Very low246 Ų246146.3 Ų146.393%0.92878%0.784SS**  trans-56.8112.7174.1-71.5174.1155-152.7-6.2110.2M82M82-R84 PolarHBondContact O-N 3.03Å
85I48.9Very low48.5Very low145 Ų145149.3 Ų149.374%0.74478%0.782SS**  trans-130.5119.2161.7-63.5165.5000104.3K83K83-I85 PolarHBondContact O-N 3.35Å
86D48.4Very low48.9Very low128 Ų128152 Ų15268%0.68479%0.789SS**SBendtrans60.588.5161.1-176.4-3.8000116.9T88D86-T88 PolarHBondContact O-N 2.94Å; D86-T88 PolarHBondContact O-OG1 2.88Å
87G48.4Very low49.2Very low85 Ų85151.2 Ų151.288%0.87679%0.785SS**SBend59.5-9.5124.900000122.1
88T48.7Very low48.9Very low104 Ų104155.7 Ų155.764%0.63880%0.795SS**  trans-138.7120.5-169.652.50000110.1D86 E90D86-T88 PolarHBondContact O-N 2.94Å; D86-T88 PolarHBondContact O-OG1 2.88Å; T88-E90 PolarHBondContact O-N 3.1Å; T88-E90 VanDerWaalsContact O-N 3.12Å
89Y52.5Low49.2Very low233 Ų233153.6 Ų153.691%0.91479%0.79SS**  trans-76.495174.3-77.2-91.7000108.9I91Y89-I91 PolarHBondContact O-N 2.85Å
90E47.6Very low49.4Very low170 Ų170153.9 Ų153.979%0.79479%0.785SS**  trans-82.4104.3159.7-73.3-166.1163.600109.1T88 N92T88-E90 PolarHBondContact O-N 3.1Å; T88-E90 VanDerWaalsContact O-N 3.12Å; E90-N92 PolarHBondContact O-N 3.17Å; E90-N92 VanDerWaalsContact O-N 3.13Å
91I54.3Low49.7Very low153 Ų153155.8 Ų155.879%0.78579%0.794SS**  trans-71.4103.4171.1-63.3167.1000107.3Y89 K93Y89-I91 PolarHBondContact O-N 2.85Å; I91-K93 PolarHBondContact O-N 3.32Å
92N52.9Low49.7Very low145 Ų145154.4 Ų154.478%0.77579%0.786SS**  trans-61.2118.6166.3-79.9-43.5000109E90 S94E90-N92 PolarHBondContact O-N 3.17Å; E90-N92 VanDerWaalsContact O-N 3.13Å; N92-S94 PolarHBondContact O-N 3.07Å
93K45.3Very low49.7Very low194 Ų194155.6 Ų155.684%0.84378%0.781SS**  trans-57.6104.4177.8-65.8175.6178.7175.30110I91I91-K93 PolarHBondContact O-N 3.32Å
94S47.3Very low49.9Very low108 Ų108155.5 Ų155.576%0.75578%0.78SS**  trans-86.5116.5156.7-173.90000107.3N92 D96N92-S94 PolarHBondContact O-N 3.07Å; S94-D96 PolarHBondContact O-N 3.39Å; S94-D96 VanDerWaalsContact O-N 3.12Å
95N48.9Very low50Low140 Ų140151.7 Ų151.775%0.74977%0.773SS**SBendtrans-65.2105.9167.4-66.5-34.7000107.1
96D54.9Low49.9Very low150 Ų150151.4 Ų151.480%0.80277%0.773SS**  trans155.557.8154.5-77.1-19.4000109.5S94S94-D96 PolarHBondContact O-N 3.39Å; S94-D96 VanDerWaalsContact O-N 3.12Å
97D50.4Low49.9Very low161 Ų161151.5 Ų151.586%0.86177%0.773SS**  trans-160.6112.7160.7-96.8-32.5000108.9S99D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 VanDerWaalsContact O-N 3.1Å
98K47Very low50.2Low203 Ų203153.7 Ų153.788%0.88377%0.765SS**  trans-61.5115.7166.7-68.8-175.4-176.8-178.70106.7I100K98-I100 PolarHBondContact O-N 3.33Å; K98-I100 VanDerWaalsContact O-N 3.16Å
99S48Very low50.3Low75 Ų75157.5 Ų157.552%0.52478%0.776SS.*  trans-48.7118.7179.455.10000111.2D97 I101 D102D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 VanDerWaalsContact O-N 3.1Å; S99-I101 PolarHBondContact O-N 2.97Å; S99-D102 PolarHBondContact OG-OD2 3.45Å
100I55.5Low50.1Low135 Ų135156.9 Ų156.969%0.69277%0.773SS**G310 helixtrans-72.7-9167.7-71.7175000111K98 D102K98-I100 PolarHBondContact O-N 3.33Å; K98-I100 VanDerWaalsContact O-N 3.16Å; I100-D102 VanDerWaalsContact C-N 3.35Å; I100-D102 PolarHBondContact O-N 3.28Å
101I54.3Low50.7Low163 Ų163154 Ų15484%0.83677%0.771SS**G310 helixtrans-85.3-4.6-168.7-54.7170.7000112.7S99S99-I101 PolarHBondContact O-N 2.97Å
102D49.8Very low51Low127 Ų127155.1 Ų155.168%0.67977%0.774SS**G310 helixtrans-98.216176.9-76.6-49.1000115.3S99 I100 K104S99-D102 PolarHBondContact OG-OD2 3.45Å; I100-D102 VanDerWaalsContact C-N 3.35Å; I100-D102 PolarHBondContact O-N 3.28Å; D102-K104 PolarHBondContact O-N 2.83Å
103R46.8Very low51.5Low212 Ų212153.8 Ų153.880%0.877%0.773SS**  trans-7684.6169.6-110.9-173.1-63.2-141.3-0.1110.5Q105R103-Q105 PolarHBondContact O-N 2.91Å
104K53.1Low52.1Low189 Ų189150.7 Ų150.782%0.82277%0.765SS**  trans-32.4117.7164.4-66.8177.7176.2-178.60112.1D102D102-K104 PolarHBondContact O-N 2.83Å
105Q46Very low52.5Low166 Ų166153.3 Ų153.378%0.77677%0.766SS**  trans22.1105.5137.5-64.7176.2-4200116.2R103R103-Q105 PolarHBondContact O-N 2.91Å
106N47Very low52.6Low139 Ų139151.3 Ų151.374%0.74376%0.755SS**  trans-126.787.3140-164.51.4000107.6N108N106-N108 VanDerWaalsContact C-N 3.25Å; N106-N108 PolarHBondContact O-N 3.29Å
107N48.7Very low52.3Low129 Ų129152 Ų15269%0.6975%0.753SS**  trans-74.580.5173.3-69.3-7.9000108.3
108N55.8Low52.3Low131 Ų131151.6 Ų151.670%0.70175%0.746SS**  trans-97.899.1153.3-86.2-1.8000106.5N106 Y110N106-N108 VanDerWaalsContact C-N 3.25Å; N106-N108 PolarHBondContact O-N 3.29Å; N108-Y110 PolarHBondContact O-N 3.17Å
109E49.9Very low52.6Low185 Ų185150.8 Ų150.886%0.86475%0.745SS**  trans-50.7101.6169.6-72.4170.5158.900109.3S111E109-S111 PolarHBondContact O-N 2.95Å
110Y49.5Very low52.6Low220 Ų220158.9 Ų158.986%0.86376%0.764SS**  trans-75.4101.2159-106.7-91.5000106.7N108 Q112N108-Y110 PolarHBondContact O-N 3.17Å; Y110-Q112 PolarHBondContact O-N 3.45Å; Y110-Q112 VanDerWaalsContact O-N 3.09Å
111S59.7Low52.3Low108 Ų108161.2 Ų161.276%0.75577%0.772SS**  trans-56.8114.1162.4-62.50000107.9E109E109-S111 PolarHBondContact O-N 2.95Å
112Q60.6Low52.3Low178 Ų178158.3 Ų158.383%0.83277%0.766SS**  trans-61.4135.3169.3-65.9-131-51.600108.4Y110 D114Y110-Q112 PolarHBondContact O-N 3.45Å; Y110-Q112 VanDerWaalsContact O-N 3.09Å; Q112-D114 PolarHBondContact O-N 3.4Å
113P63.2Low52.7Low116 Ų116158.1 Ų158.175%0.75377%0.772SS**  trans-62.5123.1172.925-30.6000108.4Q115P113-Q115 PolarHBondContact O-N 2.79Å; P113-Q115 VanDerWaalsContact O-N 3.11Å
114D58.3Low52.7Low129 Ų129156.5 Ų156.569%0.6978%0.776SS**  trans-52.8114.4172.9-173.46.3000109Q112 N116Q112-D114 PolarHBondContact O-N 3.4Å; D114-N116 VanDerWaalsContact CG-ND2 3.34Å; D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; D114-N116 PolarHBondContact OD2-ND2 3.12Å
115Q55.3Low52.6Low163 Ų163154 Ų15476%0.76277%0.771SS**  trans-76.452.7176-67.8-162.1-49.200110.6P113 H117P113-Q115 PolarHBondContact O-N 2.79Å; P113-Q115 VanDerWaalsContact O-N 3.11Å; Q115-H117 VanDerWaalsContact C-N 3.27Å; Q115-H117 PolarHBondContact O-N 3.34Å
116N51.1Low52.9Low99 Ų99152 Ų15253%0.52977%0.772SS.*  trans-74.689.2163.8-96.1-49.7000108.1D114 H118D114-N116 VanDerWaalsContact CG-ND2 3.34Å; D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; D114-N116 PolarHBondContact OD2-ND2 3.12Å; N116-H118 PolarHBondContact O-N 2.95Å
117H47.8Very low53.2Low164 Ų164152.9 Ų152.976%0.75978%0.776SS**  trans-63.567.8162.7-73-64.9000109.9Q115 Q119Q115-H117 VanDerWaalsContact C-N 3.27Å; Q115-H117 PolarHBondContact O-N 3.34Å; H117-Q119 PolarHBondContact O-N 3.05Å
118H51.9Low53.3Low153 Ų153154.6 Ų154.671%0.70878%0.779SS**  trans-69.8117.2157.6-70.6-49.9000106.8N116 R120N116-H118 PolarHBondContact O-N 2.95Å; H118-R120 VanDerWaalsContact C-N 3.32Å; H118-R120 PolarHBondContact O-N 3.47Å
119Q52.1Low53.2Low186 Ų186153.7 Ų153.787%0.86977%0.772SS**  trans-48.599.2168.4-60.9-175.1900107.7H117 E121H117-Q119 PolarHBondContact O-N 3.05Å; Q119-E121 PolarHBondContact O-N 3.24Å
120R48.8Very low53.3Low245 Ų245150.9 Ų150.993%0.92577%0.768SS**  trans-69.5103.4167.2-113.3178.9177.2-1171.3104.8H118 S122H118-R120 VanDerWaalsContact C-N 3.32Å; H118-R120 PolarHBondContact O-N 3.47Å; R120-S122 PolarHBondContact O-N 3.14Å
121E48.3Very low53.7Low183 Ų183148.3 Ų148.386%0.85576%0.758SS**PPolyproline II helixtrans-47.2124.1165-66.1178.417200107.6Q119Q119-E121 PolarHBondContact O-N 3.24Å
122S54.7Low53.2Low103 Ų103148.9 Ų148.972%0.7276%0.759SS**PPolyproline II helixtrans-47.7140.4171.9-71.60000109.2R120 M124R120-S122 PolarHBondContact O-N 3.14Å; S122-M124 PolarHBondContact O-N 2.97Å
123P59Low52.7Low123 Ų123149.2 Ų149.280%0.79976%0.76SS**PPolyproline II helixtrans-55.9121.2173.124.3-30.7000108N125P123-N125 PolarHBondContact O-N 2.94Å
124M45Very low52.1Low178 Ų178153.1 Ų153.188%0.87777%0.766SS**PPolyproline II helixtrans-46.1137.9173.4-96.2-157.180.100109.5S122S122-M124 PolarHBondContact O-N 2.97Å
125N51.4Low51.6Low135 Ų135152.6 Ų152.672%0.72277%0.767SS**  trans-31.1142173.5-75.8-43000113.4P123 I127P123-N125 PolarHBondContact O-N 2.94Å; N125-I127 PolarHBondContact O-N 3.05Å
126P52.8Low51.4Low124 Ų124151.9 Ų151.981%0.80577%0.767SS**  trans-57.1119.9171.825.4-31.3000108.3H128P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.1Å
127I53.6Low51.5Low158 Ų158156.6 Ų156.681%0.8178%0.778SS**  trans-58.4117.7174.2-44.3166.3000105.4N125 M129N125-I127 PolarHBondContact O-N 3.05Å; I127-M129 PolarHBondContact O-N 3.32Å
128H51.5Low51.4Low166 Ų166158.6 Ų158.677%0.76979%0.785SS**  trans-61.1101.5175.3-169.66.1000107.9P126 T130P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.1Å; H128-T130 PolarHBondContact O-N 3.19Å; H128-T130 VanDerWaalsContact O-N 3.17Å
129M52.7Low51.2Low111 Ų111157.6 Ų157.655%0.54779%0.79SS.*  trans-70.3108.8171-78.1-167.9-68.600108.3I127 Y131I127-M129 PolarHBondContact O-N 3.32Å; M129-Y131 PolarHBondContact O-N 3.4Å
130T51.9Low50.7Low126 Ų126152.3 Ų152.377%0.77379%0.785SS**  trans-74.9112162.926.50000108.5H128H128-T130 PolarHBondContact O-N 3.19Å; H128-T130 VanDerWaalsContact O-N 3.17Å
131Y57.2Low50.4Low166 Ų166152.7 Ų152.765%0.65180%0.804SS**PPolyproline II helixtrans-69.3143.2169.6-72.2-89.6000109.8M129 E133M129-Y131 PolarHBondContact O-N 3.4Å; Y131-E133 PolarHBondContact O-N 3.44Å
132P49.4Very low50.5Low121 Ų121151.2 Ų151.279%0.78680%0.802SS**PPolyproline II helixtrans-64.1123.3172.625.4-31.2000109.7K134P132-K134 PolarHBondContact O-N 3.2Å
133E51.2Low50.2Low184 Ų184153.7 Ų153.786%0.8681%0.806SS**PPolyproline II helixtrans-54133.5173.7-118.1175.3178.500110Y131 V135Y131-E133 PolarHBondContact O-N 3.44Å; E133-V135 PolarHBondContact O-N 2.94Å
134K49.7Very low49.8Very low199 Ų199155.4 Ų155.487%0.86581%0.807SS**  trans-54.9111.3171.1-82.1-179.4175179.90108.7P132 I136P132-K134 PolarHBondContact O-N 3.2Å; K134-I136 PolarHBondContact O-N 3.04Å
135V47.8Very low50Low117 Ų117154.1 Ų154.171%0.70980%0.802SS**  trans-65.9100168.3-168.70000107.1E133 Y137E133-V135 PolarHBondContact O-N 2.94Å; V135-Y137 PolarHBondContact O-N 3.08Å; V135-Y137 VanDerWaalsContact O-N 3.14Å
136I51.8Low49.9Very low148 Ų148155.3 Ų155.376%0.75981%0.807SS**  trans-72104168.7-60.3174.7000106K134 K138K134-I136 PolarHBondContact O-N 3.04Å; I136-K138 PolarHBondContact O-N 3.18Å
137Y52.8Low49.8Very low198 Ų198157.4 Ų157.478%0.77681%0.808SS**  trans-61.7102165.7-76.8-86000108.4V135 T139V135-Y137 PolarHBondContact O-N 3.08Å; V135-Y137 VanDerWaalsContact O-N 3.14Å; Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 3.23Å
138K44.9Very low49.5Very low206 Ų206157.4 Ų157.490%0.89681%0.807SS**  trans-63.995.9156-88.8-179.7171.4179.60107.3I136 G140I136-K138 PolarHBondContact O-N 3.18Å; K138-G140 PolarHBondContact O-N 3.41Å
139T49.4Very low49.3Very low133 Ų133156.7 Ų156.782%0.81681%0.81SS**  trans-71116.1154.940.70000107.5Y137Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 3.23Å
140G40.1Very low49Very low75 Ų75160.5 Ų160.577%0.77383%0.832SS**  trans-65.7141.4177.200000112.7K138K138-G140 PolarHBondContact O-N 3.41Å
141L42.4Very low48.8Very low253 Ų253163.6 Ų163.6100%1.32584%0.838SS**  trans-122.80146.9-84.1168.9000106.6

Retrieved 141 of 141 residues in 25.6 ms (Link to these results)