A0A5K4F737_SCHMA Loading...

Conjugal transfer protein

AlphaFold DB , UniProt , Accession A0A5K4F737, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M58Low71Confident200 Ų200115.6 Ų115.699%0.98561%0.613SS**  0-27.90-138.6-173.4-154.300113.1
2L55.8Low72.3Confident138 Ų138116.6 Ų116.672%0.72361%0.614SS**  trans-67.9-50.9176.1-12884.5000112.5L4 K5 D6L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.36Å; L2-K5 PolarHBondContact O-N 2.84Å; L2-D6 PolarHBondContact O-N 2.97Å
3H63.8Low73.7Confident150 Ų150113.5 Ų113.569%0.69460%0.602SS**Hα-helixtrans-56.9-38.5-177.2-64.7-57.7000114.9K5 D6 D7H3-K5 PolarHBondContact O-N 3.34Å; H3-D6 PolarHBondContact O-N 3.07Å; H3-D6 VanDerWaalsContact O-N 3.16Å; H3-D7 PolarHBondContact O-N 3.45Å
4L61.2Low74.9Confident127 Ų127110.6 Ų110.667%0.66559%0.592SS**Hα-helixtrans-61.7-25.7177.4-78.8155000113.8L2 A8L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.36Å; L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.11Å
5K66.3Low76.1Confident151 Ų151112.4 Ų112.466%0.65759%0.592SS**Hα-helixtrans-81.8-34.5177.8-68.4-172.7177.5-176.20111.8L2 H3 A9L2-K5 PolarHBondContact O-N 2.84Å; H3-K5 PolarHBondContact O-N 3.34Å; K5-A9 PolarHBondContact O-N 3.4Å; K5-A9 VanDerWaalsContact O-N 3.17Å
6D70.1Confident77.2Confident87 Ų87110.8 Ų110.847%0.46558%0.584SS.*Hα-helixtrans-69.7-45.6178.3-60.9-25.4000109.7L2 H3 A8 A9 D10L2-D6 PolarHBondContact O-N 2.97Å; H3-D6 PolarHBondContact O-N 3.07Å; H3-D6 VanDerWaalsContact O-N 3.16Å; D6-A8 VanDerWaalsContact C-N 3.32Å; D6-A8 PolarHBondContact O-N 3.3Å; D6-A9 PolarHBondContact O-N 3.47Å; D6-A9 VanDerWaalsContact O-N 3.1Å; D6-D10 PolarHBondContact O-N 3.35Å
7D73.8Confident78.2Confident93 Ų93108.9 Ų108.950%0.49758%0.575SS.*Hα-helixtrans-58.1-43.7175.7-63.2-22.9000111.7H3 A9 D10 D11H3-D7 PolarHBondContact O-N 3.45Å; D7-A9 VanDerWaalsContact C-N 3.31Å; D7-A9 PolarHBondContact O-N 2.84Å; D7-D10 PolarHBondContact O-N 3.12Å; D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.44Å
8A79.3Confident79.1Confident53 Ų53107.4 Ų107.444%0.43857%0.566SS.*Hα-helixtrans-65.8-32.2178.400000113.2L4 D6 M12L4-A8 WeakPolarHBondContact O-CB 3.47Å; L4-A8 PolarHBondContact O-N 3.11Å; D6-A8 VanDerWaalsContact C-N 3.32Å; D6-A8 PolarHBondContact O-N 3.3Å; A8-M12 WeakPolarHBondContact O-CB 3.32Å; A8-M12 VanDerWaalsContact O-CG 3.28Å; A8-M12 WeakPolarHBondContact O-CG 3.5Å; A8-M12 PolarHBondContact O-N 2.94Å; A8-M12 VanDerWaalsContact O-N 3.15Å
9A81.7Confident79.9Confident53 Ų53104.9 Ų104.944%0.43856%0.559SS.*Hα-helixtrans-73.4-39.117700000111.8K5 D6 D7 M12 T13K5-A9 PolarHBondContact O-N 3.4Å; K5-A9 VanDerWaalsContact O-N 3.17Å; D6-A9 PolarHBondContact O-N 3.47Å; D6-A9 VanDerWaalsContact O-N 3.1Å; D7-A9 VanDerWaalsContact C-N 3.31Å; D7-A9 PolarHBondContact O-N 2.84Å; A9-M12 PolarHBondContact O-N 3.15Å; A9-T13 WeakPolarHBondContact O-CB 3.31Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.5Å
10D84.3Confident80.7Confident105 Ų105106.7 Ų106.756%0.56156%0.561SS**Hα-helixtrans-67.6-40.1176-76.2-13.4000111.6D6 D7 T13 T14D6-D10 PolarHBondContact O-N 3.35Å; D7-D10 PolarHBondContact O-N 3.12Å; D10-T13 PolarHBondContact O-N 3.03Å; D10-T14 WeakPolarHBondContact O-CB 3.41Å; D10-T14 PolarHBondContact O-N 2.97Å; D10-T14 PolarHBondContact O-OG1 2.85Å
11D86.7Confident81.3Confident115 Ų115107.9 Ų107.962%0.61556%0.564SS**Hα-helixtrans-62.9-44.9174.7-80.3-14.6000111.9D7 T13 T14 F15D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.44Å; D11-T13 PolarHBondContact O-N 3.19Å; D11-T14 PolarHBondContact O-N 3.49Å; D11-F15 WeakPolarHBondContact O-CB 3.35Å; D11-F15 PolarHBondContact O-N 3.4Å
12M86.4Confident83.1Confident127 Ų127102.9 Ų102.963%0.62654%0.541SS*.Hα-helixtrans-62.8-42.2176.4-77.4-66.2-170.200112A8 A9 T14 F15 D16A8-M12 WeakPolarHBondContact O-CB 3.32Å; A8-M12 VanDerWaalsContact O-CG 3.28Å; A8-M12 WeakPolarHBondContact O-CG 3.5Å; A8-M12 PolarHBondContact O-N 2.94Å; A8-M12 VanDerWaalsContact O-N 3.15Å; A9-M12 PolarHBondContact O-N 3.15Å; M12-T14 VanDerWaalsContact C-N 3.31Å; M12-T14 PolarHBondContact O-N 3.45Å; M12-F15 PolarHBondContact O-N 3.05Å; M12-D16 PolarHBondContact O-N 3.17Å
13T90.7Very high84.8Confident76 Ų76101.3 Ų101.347%0.46653%0.53SS..Hα-helixtrans-63.7-40176.4-57.20000111.2A9 D10 D11 N17A9-T13 WeakPolarHBondContact O-CB 3.31Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.5Å; D10-T13 PolarHBondContact O-N 3.03Å; D11-T13 PolarHBondContact O-N 3.19Å; T13-N17 WeakPolarHBondContact O-CB 3.39Å; T13-N17 PolarHBondContact O-N 2.88Å; T13-N17 PolarHBondContact O-ND2 2.91Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å
14T91.1Very high86.3Confident74 Ų74100.5 Ų100.545%0.45452%0.524SS..Hα-helixtrans-65.4-44.6176.5-59.70000111.2D10 D11 M12 N17 I18D10-T14 WeakPolarHBondContact O-CB 3.41Å; D10-T14 PolarHBondContact O-N 2.97Å; D10-T14 PolarHBondContact O-OG1 2.85Å; D11-T14 PolarHBondContact O-N 3.49Å; M12-T14 VanDerWaalsContact C-N 3.31Å; M12-T14 PolarHBondContact O-N 3.45Å; T14-N17 PolarHBondContact O-N 3.37Å; T14-I18 HydrophobicContact CG2-CD1 3.87Å; T14-I18 VanDerWaalsContact O-CG1 3.32Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.28Å
15F92.4Very high87.9Confident137 Ų13799.7 Ų99.760%0.60152%0.52SS*.Hα-helixtrans-59.5-47.7175.8179.6-95.7000112D11 M12 N17 I18 S19D11-F15 WeakPolarHBondContact O-CB 3.35Å; D11-F15 PolarHBondContact O-N 3.4Å; M12-F15 PolarHBondContact O-N 3.05Å; F15-N17 VanDerWaalsContact C-N 3.31Å; F15-N17 PolarHBondContact O-N 3.33Å; F15-I18 PolarHBondContact O-N 3.01Å; F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.44Å
16D93.7Very high89.1Confident86 Ų8697.6 Ų97.646%0.4651%0.511SS..Hα-helixtrans-61.6-39.7178.1-81.1-11.6000112.2M12 S19 K20M12-D16 PolarHBondContact O-N 3.17Å; D16-S19 PolarHBondContact O-N 3.45Å; D16-K20 WeakPolarHBondContact O-CB 3.37Å; D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.48Å; D16-K20 PolarHBondContact O-N 3.16Å
17N94.4Very high90.2Very high80 Ų8096.9 Ų96.943%0.42851%0.507SS..Hα-helixtrans-66.6-44177.2-74.4-28000112T13 T14 F15 K20 Q21T13-N17 WeakPolarHBondContact O-CB 3.39Å; T13-N17 PolarHBondContact O-N 2.88Å; T13-N17 PolarHBondContact O-ND2 2.91Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å; T14-N17 PolarHBondContact O-N 3.37Å; F15-N17 VanDerWaalsContact C-N 3.31Å; F15-N17 PolarHBondContact O-N 3.33Å; N17-K20 PolarHBondContact O-N 3.31Å; N17-Q21 WeakPolarHBondContact O-CG 3.48Å; N17-Q21 PolarHBondContact O-N 2.9Å
18I93.5Very high91.2Very high82 Ų8296.5 Ų96.542%0.42150%0.503SS..Hα-helixtrans-63.6-43.4175.8-69.1168.4000110.3T14 F15 K20 Q21 N22T14-I18 HydrophobicContact CG2-CD1 3.87Å; T14-I18 VanDerWaalsContact O-CG1 3.32Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.28Å; F15-I18 PolarHBondContact O-N 3.01Å; I18-K20 PolarHBondContact O-N 3.43Å; I18-Q21 PolarHBondContact O-N 3.36Å; I18-N22 WeakPolarHBondContact O-CB 3.41Å; I18-N22 VanDerWaalsContact O-CG 3.3Å; I18-N22 PolarHBondContact O-N 3.46Å
19S94.6Very high91.9Very high60 Ų60100.9 Ų100.942%0.4251%0.509SS..Hα-helixtrans-59.1-45.9177.4-175.10000111.7F15 D16 Q21 N22 Q23F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.43Å; F15-S19 PolarHBondContact O-N 3.44Å; D16-S19 PolarHBondContact O-N 3.45Å; S19-Q21 PolarHBondContact O-N 3.39Å; S19-N22 PolarHBondContact O-N 2.98Å; S19-Q23 PolarHBondContact O-N 2.92Å
20K95.3Very high92.5Very high140 Ų140102.5 Ų102.561%0.60951%0.507SS*.Hα-helixtrans-62-41.6174.6-73.7170.1-175.1168.40112.7D16 N17 I18 Q23 K24D16-K20 WeakPolarHBondContact O-CB 3.37Å; D16-K20 VanDerWaalsContact O-CG 3.29Å; D16-K20 WeakPolarHBondContact O-CG 3.48Å; D16-K20 PolarHBondContact O-N 3.16Å; N17-K20 PolarHBondContact O-N 3.31Å; I18-K20 PolarHBondContact O-N 3.43Å; K20-Q23 PolarHBondContact O-N 3.29Å; K20-K24 PolarHBondContact O-N 3.23Å
21Q95Very high92.9Very high131 Ų131103.5 Ų103.561%0.61251%0.509SS*.Hα-helixtrans-64.9-42.8176.7-74.6178.6-1.100111.8N17 I18 S19 K24 L25N17-Q21 WeakPolarHBondContact O-CG 3.48Å; N17-Q21 PolarHBondContact O-N 2.9Å; I18-Q21 PolarHBondContact O-N 3.36Å; S19-Q21 PolarHBondContact O-N 3.39Å; Q21-K24 PolarHBondContact O-N 2.92Å; Q21-L25 PolarHBondContact O-N 3.3Å
22N94.2Very high93.4Very high96 Ų96103.2 Ų103.251%0.51351%0.506SS..Hα-helixtrans-63-42.4176.8-73.9-16.7000111.6I18 S19 K24 L25 F26I18-N22 WeakPolarHBondContact O-CB 3.41Å; I18-N22 VanDerWaalsContact O-CG 3.3Å; I18-N22 PolarHBondContact O-N 3.46Å; S19-N22 PolarHBondContact O-N 2.98Å; N22-K24 VanDerWaalsContact C-N 3.33Å; N22-K24 PolarHBondContact O-N 3.18Å; N22-L25 PolarHBondContact O-N 2.92Å; N22-F26 WeakPolarHBondContact O-CB 3.42Å; N22-F26 PolarHBondContact O-N 2.95Å
23Q91.6Very high93.7Very high105 Ų105101.1 Ų101.149%0.49150%0.495SS..Hα-helixtrans-62.9-41.4175.6-172.56253.900111.7S19 K20 F26 N27S19-Q23 PolarHBondContact O-N 2.92Å; K20-Q23 PolarHBondContact O-N 3.29Å; Q23-F26 PolarHBondContact O-N 2.84Å; Q23-N27 PolarHBondContact NE2-OD1 3.41Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-OD1 3.49Å
24K95.2Very high93.7Very high133 Ų133103.6 Ų103.658%0.57850%0.502SS*.Hα-helixtrans-61.6-46.4175.6-178.3177.9171.8-178.20111.5K20 Q21 N22 F26 N27 E28K20-K24 PolarHBondContact O-N 3.23Å; Q21-K24 PolarHBondContact O-N 2.92Å; N22-K24 VanDerWaalsContact C-N 3.33Å; N22-K24 PolarHBondContact O-N 3.18Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.4Å; K24-N27 PolarHBondContact O-N 3.35Å; K24-E28 WeakPolarHBondContact CE-OE1 3.36Å; K24-E28 IonicContact NZ-OE1 2.73Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 3.01Å
25L94.7Very high93.8Very high110 Ų110103.2 Ų103.258%0.57650%0.499SS*.Hα-helixtrans-62.8-38.1177.7-176.563.8000112Q21 N22 E28 Y29Q21-L25 PolarHBondContact O-N 3.3Å; N22-L25 PolarHBondContact O-N 2.92Å; L25-E28 PolarHBondContact O-N 3.33Å; L25-Y29 WeakPolarHBondContact O-CB 3.29Å; L25-Y29 PolarHBondContact O-N 3.33Å
26F92Very high93.7Very high106 Ų106101.2 Ų101.247%0.46549%0.494SS..Hα-helixtrans-62.5-45.5175.5-175.7-93.4000111.6N22 Q23 K24 Y29 E30N22-F26 WeakPolarHBondContact O-CB 3.42Å; N22-F26 PolarHBondContact O-N 2.95Å; Q23-F26 PolarHBondContact O-N 2.84Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.4Å; F26-Y29 WeakPolarHBondContact O-CB 3.46Å; F26-Y29 PolarHBondContact O-N 2.73Å; F26-E30 HydrophobicContact CD1-CG 4.42Å; F26-E30 VanDerWaalsContact CE1-CD 3.44Å; F26-E30 HydrophobicContact CE1-CG 3.95Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 HydrophobicContact CZ-CG 4.21Å; F26-E30 PolarHBondContact O-N 3.47Å
27N93.1Very high93.5Very high72 Ų72102.3 Ų102.339%0.38550%0.496SS..Hα-helixtrans-63.1-43.7176.8-63.7-2.5000111.6Q23 K24 Y29 E30 E31Q23-N27 PolarHBondContact NE2-OD1 3.41Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 2.88Å; Q23-N27 PolarHBondContact O-OD1 3.49Å; K24-N27 PolarHBondContact O-N 3.35Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 3Å; N27-E30 PolarHBondContact O-N 3.3Å; N27-E31 WeakPolarHBondContact O-CG 3.49Å; N27-E31 PolarHBondContact O-N 3.28Å
28E95.6Very high93.4Very high86 Ų86104.2 Ų104.240%0.40251%0.506SS..Hα-helixtrans-61.6-37.8175.8-73.1177.3-165.700111.9K24 L25 L32K24-E28 WeakPolarHBondContact CE-OE1 3.36Å; K24-E28 IonicContact NZ-OE1 2.73Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 3.01Å; L25-E28 PolarHBondContact O-N 3.33Å; E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3Å
29Y94.5Very high93.4Very high144 Ų144106.6 Ų106.657%0.56551%0.513SS*.Hα-helixtrans-63.4-46175.2173.7-93.7000112L25 F26 N27 L32 Q33L25-Y29 WeakPolarHBondContact O-CB 3.29Å; L25-Y29 PolarHBondContact O-N 3.33Å; F26-Y29 WeakPolarHBondContact O-CB 3.46Å; F26-Y29 PolarHBondContact O-N 2.73Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 3Å; Y29-L32 PolarHBondContact O-N 3.4Å; Y29-Q33 WeakPolarHBondContact O-CB 3.32Å; Y29-Q33 PolarHBondContact O-N 3.05Å
30E92.6Very high93.3Very high87 Ų87109.3 Ų109.341%0.40752%0.519SS..Hα-helixtrans-62.6-42.8177.4-73.2-166.4140.500112F26 N27 L32 Q33 Q34F26-E30 HydrophobicContact CD1-CG 4.42Å; F26-E30 VanDerWaalsContact CE1-CD 3.44Å; F26-E30 HydrophobicContact CE1-CG 3.95Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.31Å; F26-E30 HydrophobicContact CZ-CG 4.21Å; F26-E30 PolarHBondContact O-N 3.47Å; N27-E30 PolarHBondContact O-N 3.3Å; E30-L32 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact O-N 2.92Å; E30-Q34 WeakPolarHBondContact O-CG 3.41Å; E30-Q34 PolarHBondContact O-N 3.45Å
31E94.2Very high93.1Very high126 Ų126105.2 Ų105.259%0.58951%0.511SS*.Hα-helixtrans-61.7-42.7176.1-73.5-178.4-179.900112.2N27 Q34 T35N27-E31 WeakPolarHBondContact O-CG 3.49Å; N27-E31 PolarHBondContact O-N 3.28Å; E31-Q34 PolarHBondContact O-N 2.98Å; E31-T35 WeakPolarHBondContact O-CB 3.3Å; E31-T35 PolarHBondContact O-N 3.21Å; E31-T35 PolarHBondContact O-OG1 3.49Å
32L95.6Very high92.9Very high109 Ų109102.3 Ų102.357%0.57150%0.503SS*.Hα-helixtrans-64.8-40.6175.8-77.1171.6000111.6E28 Y29 E30 T35 I36E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.41Å; E28-L32 PolarHBondContact O-N 3Å; Y29-L32 PolarHBondContact O-N 3.4Å; E30-L32 PolarHBondContact O-N 3.49Å; L32-T35 WeakPolarHBondContact O-CB 3.45Å; L32-T35 PolarHBondContact O-N 2.96Å; L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 2.91Å
33Q93.4Very high92.8Very high84 Ų84102.2 Ų102.239%0.39350%0.501SS..Hα-helixtrans-62.5-44.3177.4-171.4179.5-1.200111.5Y29 E30 T35 I36 Q37Y29-Q33 WeakPolarHBondContact O-CB 3.32Å; Y29-Q33 PolarHBondContact O-N 3.05Å; E30-Q33 PolarHBondContact O-N 2.92Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.39Å; Q33-I36 PolarHBondContact O-N 3.44Å; Q33-Q37 WeakPolarHBondContact O-CG 3.39Å; Q33-Q37 PolarHBondContact O-N 3.27Å
34Q91.5Very high92.8Very high128 Ų128103.3 Ų103.360%0.59850%0.504SS*.Hα-helixtrans-61.9-41.1174.2-69.1176.117.900111.6E30 E31 I36 Q37 L38E30-Q34 WeakPolarHBondContact O-CG 3.41Å; E30-Q34 PolarHBondContact O-N 3.45Å; E31-Q34 PolarHBondContact O-N 2.98Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 3.29Å; Q34-Q37 PolarHBondContact O-N 3.5Å; Q34-L38 PolarHBondContact O-N 3.45Å
35T92.8Very high92.6Very high66 Ų66100.4 Ų100.441%0.40550%0.498SS..Hα-helixtrans-62.8-40.3177-59.80000111.9E31 L32 Q33 K39E31-T35 WeakPolarHBondContact O-CB 3.3Å; E31-T35 PolarHBondContact O-N 3.21Å; E31-T35 PolarHBondContact O-OG1 3.49Å; L32-T35 WeakPolarHBondContact O-CB 3.45Å; L32-T35 PolarHBondContact O-N 2.96Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.39Å; T35-K39 HydrophobicContact CG2-CD 4.39Å; T35-K39 WeakPolarHBondContact O-CG 3.46Å; T35-K39 PolarHBondContact O-N 2.89Å
36I89.4Confident92.5Very high94 Ų9499.8 Ų99.848%0.48249%0.494SS..Hα-helixtrans-62.5-49.5175.7-73.1162.7000110.2L32 Q33 Q34 L38 K39 E40L32-I36 WeakPolarHBondContact O-CG1 3.48Å; L32-I36 PolarHBondContact O-N 2.91Å; Q33-I36 PolarHBondContact O-N 3.44Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 3.29Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3.27Å; I36-K39 PolarHBondContact O-N 3.06Å; I36-K39 VanDerWaalsContact O-N 3.08Å; I36-E40 HydrophobicContact CG2-CG 4.32Å; I36-E40 WeakPolarHBondContact O-CG 3.38Å; I36-E40 PolarHBondContact O-N 3.03Å
37Q89.1Confident92.5Very high109 Ų109100.1 Ų100.151%0.50950%0.497SS..Hα-helixtrans-58.5-42.1179.2-71174.3-3.700112.3Q33 Q34 E40 A41Q33-Q37 WeakPolarHBondContact O-CG 3.39Å; Q33-Q37 PolarHBondContact O-N 3.27Å; Q34-Q37 PolarHBondContact O-N 3.5Å; Q37-E40 PolarHBondContact O-N 3.08Å; Q37-A41 PolarHBondContact O-N 3.01Å
38L92.4Very high92.5Very high120 Ų120101.2 Ų101.263%0.62850%0.5SS*.Hα-helixtrans-63.3-41.4175.8-179.163.8000112.1Q34 I36 A41 T42Q34-L38 PolarHBondContact O-N 3.45Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3.27Å; L38-A41 PolarHBondContact O-N 2.96Å; L38-T42 PolarHBondContact O-N 3.49Å; L38-T42 PolarHBondContact O-OG1 3.09Å
39K94.1Very high92.4Very high132 Ų132102.2 Ų102.257%0.57451%0.505SS*.Hα-helixtrans-66.7-40.5176.9-75-179.3179.5-1750111.8T35 I36 T42 I43T35-K39 HydrophobicContact CG2-CD 4.39Å; T35-K39 WeakPolarHBondContact O-CG 3.46Å; T35-K39 PolarHBondContact O-N 2.89Å; I36-K39 PolarHBondContact O-N 3.06Å; I36-K39 VanDerWaalsContact O-N 3.08Å; K39-T42 WeakPolarHBondContact O-CB 3.46Å; K39-T42 PolarHBondContact O-N 3.26Å; K39-I43 WeakPolarHBondContact O-CG1 3.48Å; K39-I43 PolarHBondContact O-N 3.01Å
40E93.9Very high92.3Very high118 Ų118100.4 Ų100.455%0.55151%0.505SS*.Hα-helixtrans-61-44.4175-72.4176.3161.200111.6I36 Q37 T42 I43 K44I36-E40 HydrophobicContact CG2-CG 4.32Å; I36-E40 WeakPolarHBondContact O-CG 3.38Å; I36-E40 PolarHBondContact O-N 3.03Å; Q37-E40 PolarHBondContact O-N 3.08Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 3.06Å; E40-I43 PolarHBondContact O-N 3.34Å; E40-K44 PolarHBondContact O-N 3.26Å
41A89.4Confident92.3Very high53 Ų53101.4 Ų101.444%0.43851%0.513SS..Hα-helixtrans-61.5-39.6174.600000112.4Q37 L38 K44 T45Q37-A41 PolarHBondContact O-N 3.01Å; L38-A41 PolarHBondContact O-N 2.96Å; A41-K44 PolarHBondContact O-N 2.79Å; A41-T45 PolarHBondContact O-N 2.63Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.32Å
42T92.6Very high92.2Very high71 Ų71101.2 Ų101.244%0.43651%0.512SS..Hα-helixtrans-65.7-44.5176.8-55.90000111.5L38 K39 E40 K44 T45 L46L38-T42 PolarHBondContact O-N 3.49Å; L38-T42 PolarHBondContact O-OG1 3.09Å; K39-T42 WeakPolarHBondContact O-CB 3.46Å; K39-T42 PolarHBondContact O-N 3.26Å; E40-T42 VanDerWaalsContact C-N 3.31Å; E40-T42 PolarHBondContact O-N 3.06Å; T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.08Å; T42-T45 PolarHBondContact O-N 3.45Å; T42-L46 HydrophobicContact CG2-CD1 4.17Å; T42-L46 WeakPolarHBondContact O-CG 3.33Å; T42-L46 PolarHBondContact O-N 2.84Å
43I90.6Very high92.2Very high93 Ų93101.6 Ų101.648%0.47751%0.514SS..Hα-helixtrans-59.6-45.1176.7-72.3165.4000110.4K39 E40 T45 L46 Q47K39-I43 WeakPolarHBondContact O-CG1 3.48Å; K39-I43 PolarHBondContact O-N 3.01Å; E40-I43 PolarHBondContact O-N 3.34Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.02Å; I43-L46 PolarHBondContact O-N 3.23Å; I43-Q47 HydrophobicContact CG2-CG 4.37Å; I43-Q47 VanDerWaalsContact O-CG 3.3Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 3.34Å
44K91.5Very high92.1Very high128 Ų128100 Ų10056%0.55751%0.513SS*.Hα-helixtrans-59.5-45.1177.8-174.4179.4175.7-174.50111.9E40 A41 T42 L46 Q47 E48E40-K44 PolarHBondContact O-N 3.26Å; A41-K44 PolarHBondContact O-N 2.79Å; T42-K44 VanDerWaalsContact C-N 3.32Å; T42-K44 PolarHBondContact O-N 3.08Å; K44-L46 PolarHBondContact O-N 3.42Å; K44-Q47 WeakPolarHBondContact O-CB 3.35Å; K44-Q47 PolarHBondContact O-N 3.03Å; K44-E48 VanDerWaalsContact CE-OE1 3.29Å; K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 3Å
45T90.5Very high92.2Very high72 Ų7298.4 Ų98.444%0.44251%0.505SS..Hα-helixtrans-60.8-46.4177-52.90000111.3A41 T42 I43 Q47 E48 E49A41-T45 PolarHBondContact O-N 2.63Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.32Å; T42-T45 PolarHBondContact O-N 3.45Å; I43-T45 VanDerWaalsContact C-N 3.34Å; I43-T45 PolarHBondContact O-N 3.02Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 3.39Å; T45-E48 PolarHBondContact O-N 2.88Å; T45-E49 WeakPolarHBondContact O-CG 3.44Å; T45-E49 PolarHBondContact O-N 3.41Å
46L92.6Very high92.3Very high97 Ų9799.6 Ų99.651%0.50851%0.509SS..Hα-helixtrans-64.2-34.9177.7-71.9171.1000112.9T42 I43 K44 N50T42-L46 HydrophobicContact CG2-CD1 4.17Å; T42-L46 WeakPolarHBondContact O-CG 3.33Å; T42-L46 PolarHBondContact O-N 2.84Å; I43-L46 PolarHBondContact O-N 3.23Å; K44-L46 PolarHBondContact O-N 3.42Å; L46-N50 VanDerWaalsContact O-CB 3.31Å; L46-N50 WeakPolarHBondContact O-CB 3.32Å; L46-N50 PolarHBondContact O-N 2.76Å
47Q92.1Very high92.4Very high113 Ų113102.7 Ų102.753%0.52852%0.516SS..Hα-helixtrans-65.5-43174.1-75172.7-19.500111.3I43 K44 T45 N50 N51I43-Q47 HydrophobicContact CG2-CG 4.37Å; I43-Q47 VanDerWaalsContact O-CG 3.3Å; I43-Q47 WeakPolarHBondContact O-CG 3.47Å; I43-Q47 PolarHBondContact O-N 3.34Å; K44-Q47 WeakPolarHBondContact O-CB 3.35Å; K44-Q47 PolarHBondContact O-N 3.03Å; T45-Q47 VanDerWaalsContact C-N 3.32Å; T45-Q47 PolarHBondContact O-N 3.39Å; Q47-N50 PolarHBondContact O-N 3.04Å; Q47-N51 WeakPolarHBondContact O-CB 3.43Å; Q47-N51 PolarHBondContact O-N 3.1Å; Q47-N51 PolarHBondContact O-ND2 3.16Å
48E93.4Very high92.6Very high96 Ų96102.7 Ų102.745%0.44951%0.514SS..Hα-helixtrans-62.2-45.5175.5-71171.5-168.800111.6K44 T45 N50 N51 Q52K44-E48 VanDerWaalsContact CE-OE1 3.29Å; K44-E48 WeakPolarHBondContact CE-OE1 3.41Å; K44-E48 WeakPolarHBondContact O-CG 3.43Å; K44-E48 PolarHBondContact O-N 3Å; T45-E48 PolarHBondContact O-N 2.88Å; E48-N50 PolarHBondContact O-N 2.99Å; E48-N51 PolarHBondContact O-N 2.87Å; E48-Q52 WeakPolarHBondContact O-CG 3.44Å; E48-Q52 PolarHBondContact O-N 3.12Å
49E93.8Very high92.6Very high107 Ų107100.4 Ų100.450%0.550%0.502SS..Hα-helixtrans-60.2-43.9174.9-72.1176.2-176.500112.4T45 Q52 L53T45-E49 WeakPolarHBondContact O-CG 3.44Å; T45-E49 PolarHBondContact O-N 3.41Å; E49-Q52 PolarHBondContact O-N 3.02Å; E49-L53 WeakPolarHBondContact O-CB 3.42Å; E49-L53 PolarHBondContact O-N 2.91Å
50N92.4Very high92.5Very high105 Ų10598.9 Ų98.956%0.56150%0.499SS*.Hα-helixtrans-65.4-39.9178.5-166.82.8000111.6L46 Q47 E48 L53 S54L46-N50 VanDerWaalsContact O-CB 3.31Å; L46-N50 WeakPolarHBondContact O-CB 3.32Å; L46-N50 PolarHBondContact O-N 2.76Å; Q47-N50 PolarHBondContact O-N 3.04Å; E48-N50 PolarHBondContact O-N 2.99Å; N50-L53 PolarHBondContact O-N 3.48Å; N50-S54 WeakPolarHBondContact O-CB 3.43Å; N50-S54 PolarHBondContact O-N 2.99Å
51N93.1Very high92.3Very high108 Ų10897.7 Ų97.758%0.57850%0.496SS*.Hα-helixtrans-61.5-44.6174-71.6-22.7000111.5Q47 E48 L53 S54 E55Q47-N51 WeakPolarHBondContact O-CB 3.43Å; Q47-N51 PolarHBondContact O-N 3.1Å; Q47-N51 PolarHBondContact O-ND2 3.16Å; E48-N51 PolarHBondContact O-N 2.87Å; N51-L53 PolarHBondContact O-N 3.27Å; N51-S54 PolarHBondContact O-N 2.86Å; N51-E55 WeakPolarHBondContact O-CG 3.47Å; N51-E55 PolarHBondContact O-N 3.23Å
52Q92.5Very high92.3Very high123 Ų123101.1 Ų101.158%0.57550%0.503SS*.Hα-helixtrans-61.8-42.5175.5-70.1175.119.900112.1E48 E49 E55 N56E48-Q52 WeakPolarHBondContact O-CG 3.44Å; E48-Q52 PolarHBondContact O-N 3.12Å; E49-Q52 PolarHBondContact O-N 3.02Å; Q52-E55 PolarHBondContact O-N 2.96Å; Q52-N56 WeakPolarHBondContact O-CB 3.4Å; Q52-N56 VanDerWaalsContact O-CG 3.27Å; Q52-N56 PolarHBondContact O-N 3.47Å; Q52-N56 PolarHBondContact O-ND2 2.89Å
53L94.1Very high92.2Very high116 Ų116104.4 Ų104.461%0.60751%0.511SS*.Hα-helixtrans-64.6-41.5177.6-174.962.2000112E49 N50 N51 N56 Y57E49-L53 WeakPolarHBondContact O-CB 3.42Å; E49-L53 PolarHBondContact O-N 2.91Å; N50-L53 PolarHBondContact O-N 3.48Å; N51-L53 PolarHBondContact O-N 3.27Å; L53-N56 PolarHBondContact O-N 3.34Å; L53-Y57 WeakPolarHBondContact O-CB 2.99Å; L53-Y57 PolarHBondContact O-N 3.45Å
54S92.9Very high91.8Very high52 Ų52105 Ų10536%0.36452%0.515SS..Hα-helixtrans-61.2-45.4175.6-174.40000111.8N50 N51 Y57 K58N50-S54 WeakPolarHBondContact O-CB 3.43Å; N50-S54 PolarHBondContact O-N 2.99Å; N51-S54 PolarHBondContact O-N 2.86Å; S54-Y57 PolarHBondContact O-N 3.3Å; S54-K58 WeakPolarHBondContact O-CG 3.34Å; S54-K58 PolarHBondContact O-N 3.34Å
55E93.8Very high91.3Very high93 Ų93102.7 Ų102.744%0.43551%0.512SS..Hα-helixtrans-65.4-40.5175.3-71.2-54.7124.800112.2N51 Q52 Y57 K58 N59N51-E55 WeakPolarHBondContact O-CG 3.47Å; N51-E55 PolarHBondContact O-N 3.23Å; Q52-E55 PolarHBondContact O-N 2.96Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.47Å; E55-K58 PolarHBondContact O-N 3.36Å; E55-K58 IonicContact OE1-NZ 3.7Å; E55-K58 PolarHBondContact OE1-NZ 2.98Å; E55-N59 WeakPolarHBondContact O-CB 3.39Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.43Å; E55-N59 PolarHBondContact O-ND2 3.04Å
56N93.1Very high90.5Very high91 Ų91102.5 Ų102.549%0.48751%0.514SS..Hα-helixtrans-60.2-42.3173.6-76.6-23.5000112.1Q52 L53 N59 I60Q52-N56 WeakPolarHBondContact O-CB 3.4Å; Q52-N56 VanDerWaalsContact O-CG 3.27Å; Q52-N56 PolarHBondContact O-N 3.47Å; Q52-N56 PolarHBondContact O-ND2 2.89Å; L53-N56 PolarHBondContact O-N 3.34Å; N56-N59 PolarHBondContact O-N 3.46Å; N56-I60 WeakPolarHBondContact O-CG1 3.4Å; N56-I60 PolarHBondContact O-N 2.91Å
57Y91.6Very high89Confident160 Ų160103.6 Ų103.663%0.62752%0.52SS*.Hα-helixtrans-62.8-46.3176.5-177.2-97.8000111.9L53 S54 E55 N59 I60 L61L53-Y57 WeakPolarHBondContact O-CB 2.99Å; L53-Y57 PolarHBondContact O-N 3.45Å; S54-Y57 PolarHBondContact O-N 3.3Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.47Å; Y57-N59 VanDerWaalsContact C-N 3.34Å; Y57-N59 PolarHBondContact O-N 3.06Å; Y57-I60 PolarHBondContact O-N 3.48Å; Y57-L61 PolarHBondContact O-N 2.97Å
58K93.9Very high87.3Confident109 Ų109104.5 Ų104.547%0.47453%0.528SS..Hα-helixtrans-58.2-44.8174.5-70.4175.7-168.7167.80111.8S54 E55 I60 L61 Q62S54-K58 WeakPolarHBondContact O-CG 3.34Å; S54-K58 PolarHBondContact O-N 3.34Å; E55-K58 PolarHBondContact O-N 3.36Å; E55-K58 IonicContact OE1-NZ 3.7Å; E55-K58 PolarHBondContact OE1-NZ 2.98Å; K58-I60 PolarHBondContact O-N 3.2Å; K58-L61 PolarHBondContact O-N 2.85Å; K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 PolarHBondContact O-N 3.2Å
59N93Very high85.4Confident72 Ų72106.4 Ų106.439%0.38554%0.54SS..Hα-helixtrans-61.6-41.1178.3-75.6-29.5000112.5E55 N56 Y57 K63E55-N59 WeakPolarHBondContact O-CB 3.39Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.43Å; E55-N59 PolarHBondContact O-ND2 3.04Å; N56-N59 PolarHBondContact O-N 3.46Å; Y57-N59 VanDerWaalsContact C-N 3.34Å; Y57-N59 PolarHBondContact O-N 3.06Å; N59-K63 WeakPolarHBondContact O-CG 3.49Å; N59-K63 PolarHBondContact O-N 3.28Å
60I91.5Very high83.4Confident99 Ų99108.6 Ų108.651%0.50856%0.555SS.*Hα-helixtrans-65.6-46.4175.7-68.7167000110.6N56 Y57 K58 Q62 K63 L64N56-I60 WeakPolarHBondContact O-CG1 3.4Å; N56-I60 PolarHBondContact O-N 2.91Å; Y57-I60 PolarHBondContact O-N 3.48Å; K58-I60 PolarHBondContact O-N 3.2Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 2.96Å; I60-K63 PolarHBondContact O-N 3.03Å; I60-L64 HydrophobicContact CG2-CD1 4.08Å; I60-L64 HydrophobicContact CG2-CG 4.42Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; I60-L64 PolarHBondContact O-N 3.04Å
61L89.4Confident81.2Confident93 Ų93112.5 Ų112.549%0.48757%0.567SS.*Hα-helixtrans-60.4-40.3178.8-17465.5000111.9Y57 K58 L64 T65Y57-L61 PolarHBondContact O-N 2.97Å; K58-L61 PolarHBondContact O-N 2.85Å; L61-L64 PolarHBondContact O-N 3.41Å; L61-T65 PolarHBondContact O-N 3.02Å; L61-T65 PolarHBondContact O-OG1 3.28Å
62Q90.2Very high79Confident126 Ų126114.4 Ų114.459%0.58958%0.578SS**Hα-helixtrans-63.6-47.5174.6-170.3179.934.600111.2K58 I60 L64 T65 S66K58-Q62 WeakPolarHBondContact O-CB 3.29Å; K58-Q62 PolarHBondContact O-N 3.2Å; I60-Q62 VanDerWaalsContact C-N 3.3Å; I60-Q62 PolarHBondContact O-N 2.96Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.92Å; Q62-T65 PolarHBondContact O-N 3.43Å; Q62-S66 WeakPolarHBondContact O-CB 3.34Å; Q62-S66 PolarHBondContact O-N 3.35Å; Q62-S66 PolarHBondContact O-OG 3.37Å
63K90Very high76.8Confident139 Ų139116.8 Ų116.860%0.60459%0.594SS**Hα-helixtrans-58.8-41.2176.9-75.4174.3-179.41790112.5N59 I60 S66 N67N59-K63 WeakPolarHBondContact O-CG 3.49Å; N59-K63 PolarHBondContact O-N 3.28Å; I60-K63 PolarHBondContact O-N 3.03Å; K63-S66 PolarHBondContact O-N 3.02Å; K63-N67 VanDerWaalsContact O-CB 3.31Å; K63-N67 WeakPolarHBondContact O-CB 3.32Å; K63-N67 PolarHBondContact O-N 3.27Å; K63-N67 PolarHBondContact O-ND2 3.02Å
64L83.1Confident74.2Confident105 Ų105115.2 Ų115.255%0.5561%0.606SS.*Hα-helixtrans-64.2-42176.4-69.8172.8000111.8I60 L61 Q62 N68I60-L64 HydrophobicContact CG2-CD1 4.08Å; I60-L64 HydrophobicContact CG2-CG 4.42Å; I60-L64 WeakPolarHBondContact O-CG 3.44Å; I60-L64 PolarHBondContact O-N 3.04Å; L61-L64 PolarHBondContact O-N 3.41Å; Q62-L64 VanDerWaalsContact C-N 3.32Å; Q62-L64 PolarHBondContact O-N 2.92Å; L64-N68 PolarHBondContact O-N 3.24Å
65T79.6Confident72Confident80 Ų80117.5 Ų117.549%0.49162%0.622SS.*Hα-helixtrans-66.2-44.5177-51.80000111.6L61 Q62 N67 N68 I69L61-T65 PolarHBondContact O-N 3.02Å; L61-T65 PolarHBondContact O-OG1 3.28Å; Q62-T65 PolarHBondContact O-N 3.43Å; T65-N67 PolarHBondContact O-N 3.49Å; T65-N68 PolarHBondContact O-N 3Å; T65-I69 HydrophobicContact CG2-CD1 4.4Å
66S74.3Confident69.6Low69 Ų69121.3 Ų121.348%0.48365%0.645SS.*Hα-helixtrans-66.6-35.6178.6-63.10000113.1Q62 K63 N68 I69Q62-S66 WeakPolarHBondContact O-CB 3.34Å; Q62-S66 PolarHBondContact O-N 3.35Å; Q62-S66 PolarHBondContact O-OG 3.37Å; K63-S66 PolarHBondContact O-N 3.02Å; S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 2.92Å; S66-I69 PolarHBondContact O-N 2.92Å
67N61Low67.7Low119 Ų119122 Ų12264%0.63665%0.653SS**Hα-helixtrans-70.1-23.5179.5-75-16.3000113.4K63 T65K63-N67 VanDerWaalsContact O-CB 3.31Å; K63-N67 WeakPolarHBondContact O-CB 3.32Å; K63-N67 PolarHBondContact O-N 3.27Å; K63-N67 PolarHBondContact O-ND2 3.02Å; T65-N67 PolarHBondContact O-N 3.49Å
68N56.6Low65.4Low132 Ų132120.4 Ų120.471%0.70666%0.655SS**Hα-helixtrans-81.9-21.9178.2-88.4-19.5000114.1L64 T65 S66L64-N68 PolarHBondContact O-N 3.24Å; T65-N68 PolarHBondContact O-N 3Å; S66-N68 VanDerWaalsContact C-N 3.29Å; S66-N68 PolarHBondContact O-N 2.92Å
69I53.9Low63.2Low137 Ų137121.3 Ų121.370%0.70367%0.67SS**Hα-helixtrans-83.8-17.2-174-63.3168.5000111.9T65 S66T65-I69 HydrophobicContact CG2-CD1 4.4Å; S66-I69 PolarHBondContact O-N 2.92Å
70N51.6Low61Low152 Ų152123.7 Ų123.781%0.81368%0.683SS**THydrogen-bonded Turntrans-106.922.1-168.7-142.88.8000115.9
71K46Very low58.6Low187 Ų187126.4 Ų126.481%0.81370%0.698SS**SBendtrans-13314.1-179.4-96.9-169.6-179.9-177.80117.4
72N47.6Very low56.7Low149 Ų149131.3 Ų131.380%0.79772%0.721SS**  trans-115.730.4-177.7-81.9-5.6000115.7
73N45Very low54.5Low173 Ų173133.3 Ų133.393%0.92573%0.727SS**SBendtrans-116.3101.4166.2-88.3-10.3000109.9
74G40.3Very low52.6Low83 Ų83134.5 Ų134.586%0.85673%0.728SS**SBendtrans125.721.5154.100000119.8
75S46.2Very low51.6Low99 Ų99138.5 Ų138.569%0.69275%0.748SS**  trans-131.8108.4170.1-163.90000112.2V77S75-V77 PolarHBondContact O-N 3.36Å; S75-V77 WeakPolarHBondContact OG-CG2 3.47Å
76N44.4Very low50.8Low173 Ų173138.9 Ų138.993%0.92575%0.747SS**  trans-60.979.7161.8-98.7-10.3000109N78N76-N78 PolarHBondContact O-N 3.38Å
77V51.6Low49.8Very low106 Ų106138.7 Ų138.764%0.64276%0.756SS**  trans-88.397.3167.9-177.70000107.1S75 T79S75-V77 PolarHBondContact O-N 3.36Å; S75-V77 WeakPolarHBondContact OG-CG2 3.47Å; V77-T79 PolarHBondContact O-N 2.95Å
78N44.6Very low50.1Low127 Ų127137 Ų13768%0.67975%0.75SS**  trans-55.995.3169.7178.515.4000110.1N76 N80N76-N78 PolarHBondContact O-N 3.38Å; N78-N80 PolarHBondContact O-N 2.97Å; N78-N80 VanDerWaalsContact O-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.36Å; N78-N80 VanDerWaalsContact OD1-ND2 3.07Å
79T46.4Very low49.8Very low127 Ų127139.2 Ų139.278%0.77975%0.75SS**  trans-84.666.4173.1550000110.3V77V77-T79 PolarHBondContact O-N 2.95Å
80N47.3Very low49.6Very low123 Ų123141.8 Ų141.866%0.65876%0.759SS**SBendtrans-114.7110.9164.4-76.3-38.4000108.1N78N78-N80 PolarHBondContact O-N 2.97Å; N78-N80 VanDerWaalsContact O-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.36Å; N78-N80 VanDerWaalsContact OD1-ND2 3.07Å
81N41.6Very low49.4Very low155 Ų155141.6 Ų141.683%0.82976%0.757SS**  trans69.881.2166.6-57.3-16.9000117.2K83N81-K83 PolarHBondContact O-N 3.38Å
82M48.8Very low49.5Very low196 Ų196140.1 Ų140.197%0.96676%0.758SS**  trans-86.697161.6-151.6159.3-176.200109.4R84M82-R84 PolarHBondContact O-N 2.94Å
83K44.6Very low49.4Very low168 Ų168142.8 Ų142.873%0.7376%0.762SS**  trans-66.8119.1176.3-163.2-178.4-172.6-175.80109.5N81N81-K83 PolarHBondContact O-N 3.38Å
84R50.8Low49.2Very low164 Ų164139.3 Ų139.362%0.61975%0.751SS**  trans-69.5141.7167.2-75.8-178.6143.6-131.36.1109.9M82 D86 G87M82-R84 PolarHBondContact O-N 2.94Å; R84-D86 VanDerWaalsContact CB-OD1 3.28Å; R84-D86 WeakPolarHBondContact CB-OD1 3.38Å; R84-D86 IonicContact CZ-OD2 3.93Å; R84-D86 IonicContact NH1-OD2 2.88Å; R84-D86 PolarHBondContact NH1-OD2 2.93Å; R84-D86 PolarHBondContact O-N 3.32Å; R84-D86 VanDerWaalsContact O-N 3.12Å; R84-G87 PolarHBondContact O-N 3.04Å
85I61.1Low49.4Very low189 Ų189142.1 Ų142.197%0.96975%0.747SS**THydrogen-bonded Turntrans-65.8-7.6177.5-68.4166.8000111.8
86D62.8Low49.5Very low89 Ų89144 Ų14448%0.47675%0.749SS.*THydrogen-bonded Turntrans-102.13.2-176.767.220.7000115.6R84 T88R84-D86 VanDerWaalsContact CB-OD1 3.28Å; R84-D86 WeakPolarHBondContact CB-OD1 3.38Å; R84-D86 IonicContact CZ-OD2 3.93Å; R84-D86 IonicContact NH1-OD2 2.88Å; R84-D86 PolarHBondContact NH1-OD2 2.93Å; R84-D86 PolarHBondContact O-N 3.32Å; R84-D86 VanDerWaalsContact O-N 3.12Å; D86-T88 VanDerWaalsContact C-N 3.32Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 PolarHBondContact OD1-N 3.26Å; D86-T88 VanDerWaalsContact OD1-N 3.15Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å
87G54.7Low49.2Very low64 Ų64143.2 Ų143.266%0.6675%0.745SS**SBendtrans74.710.6173.300000116.3R84R84-G87 PolarHBondContact O-N 3.04Å
88T65.6Low48.9Very low85 Ų85147.5 Ų147.552%0.52176%0.755SS.*  trans-105.1129.8175.654.50000112.4D86D86-T88 VanDerWaalsContact C-N 3.32Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 PolarHBondContact OD1-N 3.26Å; D86-T88 VanDerWaalsContact OD1-N 3.15Å; D86-T88 PolarHBondContact OD1-OG1 3.47Å
89Y50.7Low48.5Very low177 Ų177146.9 Ų146.969%0.69476%0.761SS**  trans-104.6116174.1-64.9-90000108.7
90E50Low48.4Very low191 Ų191147.4 Ų147.489%0.89376%0.757SS**  trans-101.9125.2166-78.8-169.1165.400110.2
91I47Very low48Very low149 Ų149149 Ų14976%0.76476%0.764SS**  trans-86.5115.9-175.4-62.5172.1000108.3K93I91-K93 PolarHBondContact O-N 3.35Å
92N47.6Very low47.8Very low156 Ų156148 Ų14883%0.83476%0.759SS**  trans-63.2113166.2-74.6-35.5000109.5S94N92-S94 PolarHBondContact O-N 3.47Å
93K46.8Very low47.6Very low204 Ų204150.1 Ų150.189%0.88776%0.756SS**  trans-85.292.2159.1-72.1-174.1179.2179.50108.2I91I91-K93 PolarHBondContact O-N 3.35Å
94S39.9Very low47.5Very low100 Ų100151.4 Ų151.470%0.69976%0.761SS**  trans-92.7129.9148.667.90000107.1N92N92-S94 PolarHBondContact O-N 3.47Å
95N46Very low46.9Very low143 Ų143152.5 Ų152.577%0.76577%0.774SS**  trans-154.2118.1150.2-93-9.1000107.8
96D47.9Very low45.9Very low137 Ų137149.8 Ų149.873%0.73376%0.761SS**  trans7799.8136.7-50.5-26.6000119.3K98D96-K98 PolarHBondContact O-N 2.95Å
97D37.4Very low44.7Very low158 Ų158152.8 Ų152.885%0.84578%0.777SS**  5.5112.8126.2-78.4-31000115.7
98K44.7Very low44.4Very low195 Ų195156 Ų15685%0.84878%0.779SS**  trans-168.2114.7135.7-102.9163.5-159.4-170.10110.4D96 I100D96-K98 PolarHBondContact O-N 2.95Å; K98-I100 PolarHBondContact O-N 3.23Å
99S37.3Very low43.1Very low115 Ų115160.3 Ų160.380%0.80479%0.794SS**  trans-48.7121.3160.355.60000111.1
100I44.4Very low42.3Very low137 Ų137163.4 Ų163.470%0.70381%0.806SS**  trans-138.689.1159.7-59.2-178.3000107.7K98 D102K98-I100 PolarHBondContact O-N 3.23Å; I100-D102 PolarHBondContact O-N 2.89Å
101I38.1Very low42.2Very low158 Ų158159.7 Ų159.781%0.8180%0.801SS**  trans-52.4124.1144.3-63.2164.6000105.8
102D38.1Very low42.3Very low134 Ų134161.3 Ų161.372%0.71781%0.805SS**  trans133.484.9166.6-76.8-22.4000111.9I100I100-D102 PolarHBondContact O-N 2.89Å
103R43.3Very low42.5Very low240 Ų240159.8 Ų159.891%0.90680%0.804SS**  trans-144.680.1150.4-115-179.7-70.6-147.63.3110.7
104K42.9Very low42.3Very low194 Ų194156.9 Ų156.984%0.84380%0.798SS**  trans30.3105.4140-59.4-169.9177.8-173.60115.9N106K104-N106 PolarHBondContact O-N 3.35Å
105Q38.8Very low42.4Very low187 Ų187160.8 Ų160.887%0.87481%0.805SS**  trans-53.1116.2151.1-71.9174.6-3800108.6
106N39.6Very low42Very low132 Ų132159.3 Ų159.371%0.70680%0.797SS**  trans-125.792.7165.6-151.717.3000106.8K104 N108K104-N106 PolarHBondContact O-N 3.35Å; N106-N108 PolarHBondContact O-N 3.49Å; N106-N108 VanDerWaalsContact O-N 3.14Å
107N38.7Very low41.9Very low153 Ų153161.6 Ų161.682%0.81880%0.803SS**  trans-7987.4174.5-74.4-14.8000107.9
108N47.8Very low42.3Very low132 Ų132161.7 Ų161.771%0.70680%0.798SS**  trans-88.5112.8165.7-90.36.3000109.6N106N106-N108 PolarHBondContact O-N 3.49Å; N106-N108 VanDerWaalsContact O-N 3.14Å
109E38.8Very low42.2Very low175 Ų175160.3 Ų160.382%0.81880%0.795SS**  trans4125.7149.1-70.2165.1162.500117.7S111E109-S111 PolarHBondContact O-N 3.01Å; E109-S111 VanDerWaalsContact O-N 3.12Å
110Y33.5Very low42.6Very low241 Ų241166.2 Ų166.295%0.94580%0.799SS**  trans-48.2112.4165.1-93.5-99.8000111.1
111S46.8Very low42.4Very low114 Ų114168.5 Ų168.580%0.79781%0.807SS**PPolyproline II helixtrans-100.6117.7162.4-69.80000109E109E109-S111 PolarHBondContact O-N 3.01Å; E109-S111 VanDerWaalsContact O-N 3.12Å
112Q49.2Very low42.8Very low182 Ų182165.8 Ų165.885%0.8580%0.802SS**PPolyproline II helixtrans-70.5142.8170.9-68.3-160.8-37.300110.1D114Q112-D114 PolarHBondContact O-N 3.5Å
113P52.8Low43.3Very low124 Ų124164.5 Ų164.581%0.80580%0.801SS**PPolyproline II helixtrans-78.4118.7176.327.8-25.6000110.4
114D43.4Very low43.4Very low144 Ų144160.8 Ų160.877%0.7780%0.796SS**PPolyproline II helixtrans-65129.4173.2-161.7-3.2000110.5Q112 N116Q112-D114 PolarHBondContact O-N 3.5Å; D114-N116 PolarHBondContact O-N 3.14Å
115Q41.2Very low43.6Very low182 Ų182158.9 Ų158.985%0.8580%0.795SS**  trans-82.695.2-179.9-75.4-161.9-34.500109.9
116N38Very low44Very low111 Ų111155.1 Ų155.159%0.59479%0.787SS**  trans-152.2112.1164.2-84.9-58.3000110.5D114D114-N116 PolarHBondContact O-N 3.14Å
117H44.7Very low44.5Very low185 Ų185156.2 Ų156.286%0.85679%0.791SS**  174.8129113.7-83.7-36.3000113.3
118H45.7Very low44.8Very low161 Ų161157.5 Ų157.575%0.74579%0.792SS**  trans-66.3138.2172.8-68.3-76.3000112.4
119Q42.6Very low44.7Very low165 Ų165158.1 Ų158.177%0.77179%0.792SS**  trans42.6115.8131.2-53.4-171.810.500118.7
120R45.6Very low45.2Very low239 Ų239155.6 Ų155.690%0.90279%0.789SS**  178.3129102.7-99.3174173.3-117.5-0.1112.4
121E40.1Very low45.9Very low185 Ų185154 Ų15486%0.86478%0.783SS**  trans-62.5162167.7-53.7172.7177.400110.5
122S47Very low46.1Very low102 Ų102153.4 Ų153.471%0.71378%0.776SS**  cis172.4-16839.4-124.90000106.1
123P49.4Very low46Very low106 Ų106153.7 Ų153.769%0.68878%0.777SS**  cis-140.4173.1-4537.7-18.9000115.6
124M45.4Very low45.5Very low162 Ų162157.1 Ų157.180%0.79878%0.78SS**  trans80.4111.4146.6-78.1-66.5165.700123.3
125N47.6Very low45.2Very low154 Ų154157.6 Ų157.682%0.82478%0.782SS**  -156.6137.2114.7-118.8-21.5000111.1I127N125-I127 PolarHBondContact O-N 2.86Å
126P46.5Very low45.1Very low108 Ų108153.9 Ų153.970%0.70178%0.777SS**  trans-91.5103.6-168.634.2-28.5000111.1
127I49Very low45.1Very low156 Ų156155.7 Ų155.780%0.878%0.783SS**  trans-95.7124.9163.2-60.5174.4000107.5N125 M129N125-I127 PolarHBondContact O-N 2.86Å; I127-M129 PolarHBondContact O-N 3.04Å
128H45.5Very low44.9Very low179 Ų179152.1 Ų152.183%0.82978%0.779SS**  trans-47.695.3-179.9-160.326.1000111.8T130H128-T130 PolarHBondContact O-N 3.42Å
129M45.1Very low44.9Very low146 Ų146149.9 Ų149.972%0.71977%0.772SS**  trans-87.9103.3170.2-79.8-90.2-66.300108I127 Y131I127-M129 PolarHBondContact O-N 3.04Å; M129-Y131 PolarHBondContact O-N 2.97Å; M129-Y131 VanDerWaalsContact O-N 3.09Å
130T50.1Low45.2Very low121 Ų121151.8 Ų151.874%0.74277%0.774SS**  trans-58.6108.815739.30000107.7H128H128-T130 PolarHBondContact O-N 3.42Å
131Y48.6Very low45.8Very low208 Ų208148.9 Ų148.982%0.81677%0.77SS**PPolyproline II helixtrans-58.4132.2174.8-77.2-91.6000109.1M129 E133M129-Y131 PolarHBondContact O-N 2.97Å; M129-Y131 VanDerWaalsContact O-N 3.09Å; Y131-E133 PolarHBondContact O-N 3.14Å
132P50Low46.8Very low102 Ų102144.1 Ų144.166%0.66275%0.749SS**PPolyproline II helixtrans-59.3116.2161.7-10.524000106.9K134P132-K134 PolarHBondContact O-N 3.48Å
133E47.8Very low48Very low187 Ų187141.5 Ų141.587%0.87473%0.731SS**THydrogen-bonded Turntrans-49.8116.7169.8-84.4-174.8142.800108.7Y131 N135Y131-E133 PolarHBondContact O-N 3.14Å; E133-N135 PolarHBondContact O-N 2.98Å
134K43.1Very low49.3Very low197 Ų197145.8 Ų145.886%0.85774%0.739SS**THydrogen-bonded Turntrans44.875.9163-53.4-171.7-175.5-179.30113.1P132 S136P132-K134 PolarHBondContact O-N 3.48Å; K134-S136 PolarHBondContact O-N 3.47Å
135N37Very low50.7Low154 Ų154144.7 Ų144.782%0.82473%0.732SS**  trans-57.694.5145.5-110.43.9000106.3E133 M137E133-N135 PolarHBondContact O-N 2.98Å; N135-M137 PolarHBondContact O-N 2.99Å
136S39.4Very low52Low104 Ų104142.6 Ų142.673%0.72772%0.717SS**  trans-48117.4163.549.60000105.7K134 S138K134-S136 PolarHBondContact O-N 3.47Å; S136-S138 PolarHBondContact O-N 3.2Å
137M36.9Very low53.8Low148 Ų148142.7 Ų142.773%0.72971%0.711SS**  trans-25.5129.4164.5-89.1-116-72.300109.7N135 L139N135-M137 PolarHBondContact O-N 2.99Å; M137-L139 HydrophobicContact CB-CD1 4.46Å; M137-L139 HydrophobicContact CE-CD1 3.56Å; M137-L139 PolarHBondContact O-N 3.45Å
138S39.6Very low55.2Low110 Ų110138.2 Ų138.277%0.76970%0.697SS**  trans-62.774.4160.462.90000107.5S136 Y140S136-S138 PolarHBondContact O-N 3.2Å; S138-Y140 VanDerWaalsContact C-N 3.28Å; S138-Y140 PolarHBondContact O-N 3.42Å
139L47Very low57Low115 Ų115134.7 Ų134.760%0.60268%0.683SS**  trans-72.294.3171.1-148.980.9000102.6M137 H141M137-L139 HydrophobicContact CB-CD1 4.46Å; M137-L139 HydrophobicContact CE-CD1 3.56Å; M137-L139 PolarHBondContact O-N 3.45Å; L139-H141 PolarHBondContact O-N 2.84Å; L139-H141 PolarHBondContact O-ND1 2.85Å
140Y49.1Very low58.9Low205 Ų205134.7 Ų134.780%0.80468%0.675SS**  trans-47.2115.3162.7-88.2-89.5000105.6S138 I142S138-Y140 VanDerWaalsContact C-N 3.28Å; S138-Y140 PolarHBondContact O-N 3.42Å; Y140-I142 PolarHBondContact O-N 3.33Å
141H56.5Low60.6Low177 Ų177133.8 Ų133.882%0.81966%0.662SS**  trans-66.490.1175.6-79.564.3000106.1L139 S143L139-H141 PolarHBondContact O-N 2.84Å; L139-H141 PolarHBondContact O-ND1 2.85Å; H141-S143 PolarHBondContact O-N 3.38Å; H141-S143 VanDerWaalsContact O-N 3.16Å
142I62.5Low62.5Low85 Ų85131.3 Ų131.344%0.43665%0.652SS.*  trans-63.3116.2169.2-66.7176.6000104.8Y140 Q146 L147Y140-I142 PolarHBondContact O-N 3.33Å; I142-Q146 HydrophobicContact CG2-CB 3.56Å; I142-L147 HydrophobicContact CG2-CB 4.28Å
143S71.8Confident64.2Low48 Ų48131.9 Ų131.934%0.33665%0.646SS.*  trans-62.1153.8177.970.20000109.5H141 E145 Q146 L147H141-S143 PolarHBondContact O-N 3.38Å; H141-S143 VanDerWaalsContact O-N 3.16Å; S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 VanDerWaalsContact O-N 3.1Å; S143-Q146 PolarHBondContact O-N 3.01Å; S143-Q146 WeakPolarHBondContact OG-CG 3.42Å; S143-Q146 PolarHBondContact OG-N 2.98Å; S143-Q146 VanDerWaalsContact OG-N 3.12Å; S143-L147 PolarHBondContact O-N 3.4Å
144K75.8Confident66.2Low196 Ų196126.8 Ų126.885%0.85263%0.625SS**Hα-helixtrans-52.8-33.6173.7-72.9-175.8176.9179.30111.8L147 A148K144-L147 PolarHBondContact O-N 3.13Å; K144-A148 WeakPolarHBondContact O-CB 3.47Å; K144-A148 PolarHBondContact O-N 3.43Å
145E75.7Confident68.5Low139 Ų139121.5 Ų121.565%0.6561%0.606SS**Hα-helixtrans-64.8-46.6174.6-177.8178.2-162.300112.6S143 L147 A148 M149S143-E145 PolarHBondContact O-N 2.85Å; S143-E145 VanDerWaalsContact O-N 3.1Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.42Å; E145-A148 PolarHBondContact O-N 2.97Å; E145-M149 WeakPolarHBondContact O-CG 3.36Å; E145-M149 PolarHBondContact O-N 3.46Å
146Q75.5Confident71.1Confident109 Ų109118.1 Ų118.151%0.50959%0.587SS.*Hα-helixtrans-62.8-35.4175.9-74.2175.22.100112I142 S143 R150I142-Q146 HydrophobicContact CG2-CB 3.56Å; S143-Q146 PolarHBondContact O-N 3.01Å; S143-Q146 WeakPolarHBondContact OG-CG 3.42Å; S143-Q146 PolarHBondContact OG-N 2.98Å; S143-Q146 VanDerWaalsContact OG-N 3.12Å; Q146-R150 WeakPolarHBondContact O-CB 3.5Å; Q146-R150 PolarHBondContact O-N 3.12Å
147L83.4Confident73.6Confident110 Ų110118.3 Ų118.358%0.57658%0.577SS**Hα-helixtrans-67.2-43.3174.6-171.364.5000111.5I142 S143 K144 E145 R150 Q151I142-L147 HydrophobicContact CG2-CB 4.28Å; S143-L147 PolarHBondContact O-N 3.4Å; K144-L147 PolarHBondContact O-N 3.13Å; E145-L147 VanDerWaalsContact C-N 3.27Å; E145-L147 PolarHBondContact O-N 3.42Å; L147-R150 PolarHBondContact O-N 2.91Å; L147-Q151 PolarHBondContact O-N 3.33Å
148A79.7Confident76.2Confident62 Ų62114.8 Ų114.851%0.51256%0.558SS.*Hα-helixtrans-64.2-42.4176.500000112.3K144 E145 R150 Q151 Y152K144-A148 WeakPolarHBondContact O-CB 3.47Å; K144-A148 PolarHBondContact O-N 3.43Å; E145-A148 PolarHBondContact O-N 2.97Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 3.01Å; A148-Q151 PolarHBondContact O-N 3.31Å; A148-Y152 PolarHBondContact O-N 3.26Å
149M81.7Confident78.8Confident105 Ų105112.8 Ų112.852%0.51754%0.542SS..Hα-helixtrans-61.4-42.1174.6-77-175.660.300112E145 Q151 Y152 Q153E145-M149 WeakPolarHBondContact O-CG 3.36Å; E145-M149 PolarHBondContact O-N 3.46Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; M149-Y152 PolarHBondContact O-N 3.33Å; M149-Q153 WeakPolarHBondContact O-CG 3.42Å; M149-Q153 PolarHBondContact O-N 2.96Å
150R85.8Confident80.9Confident147 Ų147112 Ų11256%0.55554%0.537SS*.Hα-helixtrans-63.9-41.5176.3-174.5179.3-74.3-145.8-2.1111.3Q146 L147 A148 Q153 N154Q146-R150 WeakPolarHBondContact O-CB 3.5Å; Q146-R150 PolarHBondContact O-N 3.12Å; L147-R150 PolarHBondContact O-N 2.91Å; A148-R150 VanDerWaalsContact C-N 3.34Å; A148-R150 PolarHBondContact O-N 3.01Å; R150-Q153 PolarHBondContact O-N 3.22Å; R150-N154 PolarHBondContact O-N 3.05Å; R150-N154 PolarHBondContact O-ND2 3.02Å; R150-N154 PolarHBondContact O-OD1 3.39Å
151Q84.6Confident82.9Confident101 Ų101109 Ų10947%0.47252%0.524SS..Hα-helixtrans-62.6-46.1175.8-173.46040.700111.5L147 A148 M149 Q153 N154 D155L147-Q151 PolarHBondContact O-N 3.33Å; A148-Q151 PolarHBondContact O-N 3.31Å; M149-Q151 VanDerWaalsContact C-N 3.34Å; Q151-Q153 VanDerWaalsContact C-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.3Å; Q151-N154 WeakPolarHBondContact O-CB 3.32Å; Q151-N154 PolarHBondContact O-N 3.25Å; Q151-N154 VanDerWaalsContact O-N 3.14Å; Q151-D155 PolarHBondContact NE2-OD1 2.87Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 2.95Å
152Y89.6Confident84.7Confident157 Ų157106.3 Ų106.362%0.61651%0.51SS*.Hα-helixtrans-58.5-42.3176175.9-99.4000112.4A148 M149 N154 D155 L156A148-Y152 PolarHBondContact O-N 3.26Å; M149-Y152 PolarHBondContact O-N 3.33Å; Y152-N154 PolarHBondContact O-N 3.06Å; Y152-D155 PolarHBondContact O-N 2.85Å; Y152-L156 WeakPolarHBondContact O-CB 3.48Å; Y152-L156 PolarHBondContact O-N 3.45Å
153Q86.6Confident85.9Confident114 Ų114107.3 Ų107.353%0.53351%0.513SS..Hα-helixtrans-61.1-43.2175.2-75.9174.2-1200112M149 R150 Q151 L156 E157M149-Q153 WeakPolarHBondContact O-CG 3.42Å; M149-Q153 PolarHBondContact O-N 2.96Å; R150-Q153 PolarHBondContact O-N 3.22Å; Q151-Q153 VanDerWaalsContact C-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.3Å; Q153-L156 PolarHBondContact O-N 3.35Å; Q153-E157 PolarHBondContact O-N 3.46Å
154N89.2Confident86.7Confident79 Ų79107.6 Ų107.642%0.42252%0.518SS..Hα-helixtrans-63-43.8176.8-66.3-20.4000111.8R150 Q151 Y152 L156 E157 E158R150-N154 PolarHBondContact O-N 3.05Å; R150-N154 PolarHBondContact O-ND2 3.02Å; R150-N154 PolarHBondContact O-OD1 3.39Å; Q151-N154 WeakPolarHBondContact O-CB 3.32Å; Q151-N154 PolarHBondContact O-N 3.25Å; Q151-N154 VanDerWaalsContact O-N 3.14Å; Y152-N154 PolarHBondContact O-N 3.06Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.88Å; N154-E157 PolarHBondContact O-N 3.15Å; N154-E158 PolarHBondContact O-N 3.33Å
155D91.6Very high87.4Confident86 Ų86104.9 Ų104.946%0.4651%0.506SS..Hα-helixtrans-66.2-37.5-179.9-65.1-19.8000111.6Q151 Y152 T159Q151-D155 PolarHBondContact NE2-OD1 2.87Å; Q151-D155 VanDerWaalsContact O-CG 3.29Å; Q151-D155 PolarHBondContact O-N 2.95Å; Y152-D155 PolarHBondContact O-N 2.85Å; D155-T159 PolarHBondContact O-N 3.24Å; D155-T159 PolarHBondContact O-OG1 3.1Å
156L92Very high87.9Confident83 Ų83103.7 Ų103.744%0.43550%0.501SS..Hα-helixtrans-66.3-45.1174.5-176.464.5000111.5Y152 Q153 N154 E158 T159 I160Y152-L156 WeakPolarHBondContact O-CB 3.48Å; Y152-L156 PolarHBondContact O-N 3.45Å; Q153-L156 PolarHBondContact O-N 3.35Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-L156 PolarHBondContact O-N 2.88Å; L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 PolarHBondContact O-N 2.84Å; L156-T159 WeakPolarHBondContact O-CB 3.28Å; L156-T159 PolarHBondContact O-N 3.37Å; L156-I160 HydrophobicContact CD1-CD1 4.46Å; L156-I160 HydrophobicContact CG-CD1 4.11Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 3.39Å
157E91.3Very high88.2Confident108 Ų108102.9 Ų102.951%0.50550%0.499SS..Hα-helixtrans-59.9-43.2177.1-167.6-171.1148.600111.3Q153 N154 T159 I160 R161Q153-E157 PolarHBondContact O-N 3.46Å; N154-E157 PolarHBondContact O-N 3.15Å; E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.03Å; E157-I160 PolarHBondContact O-N 3.17Å; E157-R161 WeakPolarHBondContact O-CB 3.49Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 IonicContact OE1-NH2 2.85Å; E157-R161 PolarHBondContact OE1-NH2 3.15Å
158E92Very high88Confident74 Ų74107.2 Ų107.235%0.34651%0.508SS..Hα-helixtrans-66.5-35.7178.3-173.456.3-155.800112N154 L156 R161 K162N154-E158 PolarHBondContact O-N 3.33Å; L156-E158 VanDerWaalsContact C-N 3.31Å; L156-E158 PolarHBondContact O-N 2.84Å; E158-R161 PolarHBondContact O-N 3.01Å; E158-R161 IonicContact OE2-CZ 2.98Å; E158-R161 IonicContact OE2-NH1 3.95Å; E158-R161 PolarHBondContact OE2-NH1 2.95Å; E158-K162 WeakPolarHBondContact O-CG 3.37Å; E158-K162 PolarHBondContact O-N 3.49Å; E158-K162 WeakPolarHBondContact OE1-CE 3.34Å
159T92.4Very high88Confident68 Ų68109.4 Ų109.442%0.41751%0.508SS..Hα-helixtrans-64-46.8173.8-59.50000111.5D155 L156 E157 R161 K162 Q163D155-T159 PolarHBondContact O-N 3.24Å; D155-T159 PolarHBondContact O-OG1 3.1Å; L156-T159 WeakPolarHBondContact O-CB 3.28Å; L156-T159 PolarHBondContact O-N 3.37Å; E157-T159 VanDerWaalsContact C-N 3.33Å; E157-T159 PolarHBondContact O-N 3.03Å; T159-R161 VanDerWaalsContact C-N 3.31Å; T159-R161 PolarHBondContact O-N 2.89Å; T159-K162 PolarHBondContact O-N 3.35Å; T159-Q163 WeakPolarHBondContact O-CG 3.44Å; T159-Q163 PolarHBondContact O-N 3.5Å
160I91.3Very high87.7Confident99 Ų99110 Ų11051%0.50851%0.512SS..Hα-helixtrans-60.4-42.8176.4-68167.4000110.3L156 E157 K162 Q163 A164L156-I160 HydrophobicContact CD1-CD1 4.46Å; L156-I160 HydrophobicContact CG-CD1 4.11Å; L156-I160 WeakPolarHBondContact O-CG1 3.44Å; L156-I160 PolarHBondContact O-N 3.39Å; E157-I160 PolarHBondContact O-N 3.17Å; I160-K162 PolarHBondContact O-N 3.16Å; I160-Q163 PolarHBondContact O-N 3.39Å; I160-A164 WeakPolarHBondContact O-CB 3.38Å; I160-A164 PolarHBondContact O-N 3.16Å
161R91.8Very high87Confident141 Ų141112 Ų11253%0.53252%0.52SS..Hα-helixtrans-61.1-42.9177.8-170.2-177.2-68.9155-4.4112.1E157 E158 T159 K165E157-R161 WeakPolarHBondContact O-CB 3.49Å; E157-R161 PolarHBondContact O-N 2.82Å; E157-R161 IonicContact OE1-NH2 2.85Å; E157-R161 PolarHBondContact OE1-NH2 3.15Å; E158-R161 PolarHBondContact O-N 3.01Å; E158-R161 IonicContact OE2-CZ 2.98Å; E158-R161 IonicContact OE2-NH1 3.95Å; E158-R161 PolarHBondContact OE2-NH1 2.95Å; T159-R161 VanDerWaalsContact C-N 3.31Å; T159-R161 PolarHBondContact O-N 2.89Å; R161-K165 PolarHBondContact O-N 3.27Å
162K93.4Very high86.4Confident122 Ų122110.6 Ų110.653%0.5352%0.521SS..Hα-helixtrans-63.4-46.4176-74.5173.9-177.2173.20112E158 T159 I160 K165 Q166E158-K162 WeakPolarHBondContact O-CG 3.37Å; E158-K162 PolarHBondContact O-N 3.49Å; E158-K162 WeakPolarHBondContact OE1-CE 3.34Å; T159-K162 PolarHBondContact O-N 3.35Å; I160-K162 PolarHBondContact O-N 3.16Å; K162-K165 WeakPolarHBondContact O-CB 3.46Å; K162-K165 PolarHBondContact O-N 2.99Å; K162-Q166 PolarHBondContact O-N 3.47Å
163Q89.6Confident85.3Confident106 Ų106106.3 Ų106.350%0.49551%0.511SS..Hα-helixtrans-63.5-43.1177.5-71.4179.1-7.400111.9T159 I160 K165 Q166 I167T159-Q163 WeakPolarHBondContact O-CG 3.44Å; T159-Q163 PolarHBondContact O-N 3.5Å; I160-Q163 PolarHBondContact O-N 3.39Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.31Å; Q163-Q166 WeakPolarHBondContact O-CB 3.38Å; Q163-Q166 PolarHBondContact O-N 2.97Å; Q163-Q166 VanDerWaalsContact O-N 3.15Å; Q163-I167 WeakPolarHBondContact O-CG1 3.47Å; Q163-I167 PolarHBondContact O-N 2.85Å
164A88.3Confident84Confident54 Ų54103.7 Ų103.745%0.44651%0.509SS..Hα-helixtrans-59.9-38.3175.900000111.9I160 R168I160-A164 WeakPolarHBondContact O-CB 3.38Å; I160-A164 PolarHBondContact O-N 3.16Å; A164-R168 WeakPolarHBondContact O-CB 3.43Å; A164-R168 PolarHBondContact O-N 3.04Å
165K90.4Very high82.5Confident138 Ų138103.4 Ų103.460%0.651%0.513SS*.Hα-helixtrans-64.6-44.2174.5-169.6178.2-179.4-179.20111.7R161 K162 Q163 R168 Q169R161-K165 PolarHBondContact O-N 3.27Å; K162-K165 WeakPolarHBondContact O-CB 3.46Å; K162-K165 PolarHBondContact O-N 2.99Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 3.31Å; K165-R168 PolarHBondContact O-N 3.35Å; K165-Q169 WeakPolarHBondContact O-CG 3.42Å; K165-Q169 PolarHBondContact O-N 2.91Å
166Q85.8Confident80.9Confident114 Ų114106.1 Ų106.153%0.53352%0.521SS..Hα-helixtrans-61.8-45.6175.6-72174.3-1700111.8K162 Q163 R168 Q169 L170K162-Q166 PolarHBondContact O-N 3.47Å; Q163-Q166 WeakPolarHBondContact O-CB 3.38Å; Q163-Q166 PolarHBondContact O-N 2.97Å; Q163-Q166 VanDerWaalsContact O-N 3.15Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.44Å; Q166-Q169 WeakPolarHBondContact O-CB 3.45Å; Q166-Q169 PolarHBondContact O-N 3.16Å; Q166-Q169 VanDerWaalsContact O-N 3.16Å; Q166-L170 WeakPolarHBondContact O-CG 3.46Å; Q166-L170 PolarHBondContact O-N 3.48Å
167I81.1Confident79.1Confident93 Ų93107.8 Ų107.848%0.47752%0.523SS..Hα-helixtrans-60.4-42.3176.3-67.7167.1000110.8Q163 Q169 L170 R171Q163-I167 WeakPolarHBondContact O-CG1 3.47Å; Q163-I167 PolarHBondContact O-N 2.85Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-L170 PolarHBondContact O-N 2.88Å; I167-R171 HydrophobicContact CG2-CG 4.39Å; I167-R171 WeakPolarHBondContact O-CB 3.31Å; I167-R171 WeakPolarHBondContact O-CG 3.41Å; I167-R171 PolarHBondContact O-N 2.98Å
168R79.5Confident77.4Confident200 Ų200110.6 Ų110.676%0.75553%0.528SS*.Hα-helixtrans-62.4-40.9176.6-173.2-178.4-73-179.7-2.7111.5A164 K165 Q166 S172A164-R168 WeakPolarHBondContact O-CB 3.43Å; A164-R168 PolarHBondContact O-N 3.04Å; K165-R168 PolarHBondContact O-N 3.35Å; Q166-R168 VanDerWaalsContact C-N 3.31Å; Q166-R168 PolarHBondContact O-N 3.44Å; R168-S172 WeakPolarHBondContact O-CB 3.41Å; R168-S172 PolarHBondContact O-N 2.85Å
169Q79.7Confident75.6Confident109 Ų109111.8 Ų111.851%0.50954%0.543SS..Hα-helixtrans-64.1-47.9175.1-72.8172.1-22.100111.4K165 Q166 I167 R171 S172 T173K165-Q169 WeakPolarHBondContact O-CG 3.42Å; K165-Q169 PolarHBondContact O-N 2.91Å; Q166-Q169 WeakPolarHBondContact O-CB 3.45Å; Q166-Q169 PolarHBondContact O-N 3.16Å; Q166-Q169 VanDerWaalsContact O-N 3.16Å; I167-Q169 VanDerWaalsContact C-N 3.33Å; I167-Q169 PolarHBondContact O-N 3.43Å; Q169-R171 VanDerWaalsContact C-N 3.34Å; Q169-R171 PolarHBondContact O-N 3.42Å; Q169-S172 WeakPolarHBondContact O-CB 3.2Å; Q169-S172 PolarHBondContact O-N 2.81Å; Q169-S172 VanDerWaalsContact O-N 3.1Å; Q169-T173 PolarHBondContact O-N 3.36Å; Q169-T173 PolarHBondContact O-OG1 3Å
170L75.5Confident73.9Confident117 Ų117115.7 Ų115.761%0.61356%0.561SS**Hα-helixtrans-60.7-40.6177.1-72.8171.9000112.5Q166 I167 S172 T173 A174Q166-L170 WeakPolarHBondContact O-CG 3.46Å; Q166-L170 PolarHBondContact O-N 3.48Å; I167-L170 PolarHBondContact O-N 2.88Å; L170-S172 VanDerWaalsContact C-N 3.35Å; L170-T173 VanDerWaalsContact CA-OG1 3.31Å; L170-T173 WeakPolarHBondContact CA-OG1 3.47Å; L170-T173 PolarHBondContact O-N 3.18Å; L170-T173 PolarHBondContact O-OG1 2.94Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 3.1Å
171R71.6Confident72.1Confident189 Ų189113.6 Ų113.671%0.71355%0.551SS**Hα-helixtrans-65.2-39.4173.9-77.1-175.1176.4-153.50.1111.7I167 Q169 S175I167-R171 HydrophobicContact CG2-CG 4.39Å; I167-R171 WeakPolarHBondContact O-CB 3.31Å; I167-R171 WeakPolarHBondContact O-CG 3.41Å; I167-R171 PolarHBondContact O-N 2.98Å; Q169-R171 VanDerWaalsContact C-N 3.34Å; Q169-R171 PolarHBondContact O-N 3.42Å; R171-S175 VanDerWaalsContact O-CB 3.24Å; R171-S175 WeakPolarHBondContact O-CB 3.24Å; R171-S175 PolarHBondContact O-N 3.25Å
172S71.9Confident70.4Confident71 Ų71111.1 Ų111.150%0.49755%0.553SS.*Hα-helixtrans-65.6-41.3176.3-178.90000111.8R168 Q169 L170 K176R168-S172 WeakPolarHBondContact O-CB 3.41Å; R168-S172 PolarHBondContact O-N 2.85Å; Q169-S172 WeakPolarHBondContact O-CB 3.2Å; Q169-S172 PolarHBondContact O-N 2.81Å; Q169-S172 VanDerWaalsContact O-N 3.1Å; L170-S172 VanDerWaalsContact C-N 3.35Å; S172-K176 PolarHBondContact O-N 3.47Å
173T65.7Low68.6Low67 Ų67110.2 Ų110.241%0.41155%0.553SS.*Hα-helixtrans-69.8-46175.347.90000111.7Q169 L170 S175 K176 Y177Q169-T173 PolarHBondContact O-N 3.36Å; Q169-T173 PolarHBondContact O-OG1 3Å; L170-T173 VanDerWaalsContact CA-OG1 3.31Å; L170-T173 WeakPolarHBondContact CA-OG1 3.47Å; L170-T173 PolarHBondContact O-N 3.18Å; L170-T173 PolarHBondContact O-OG1 2.94Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.23Å; T173-K176 WeakPolarHBondContact O-CA 3.38Å; T173-K176 VanDerWaalsContact O-CB 3.28Å; T173-K176 WeakPolarHBondContact O-CB 3.48Å; T173-K176 PolarHBondContact O-N 3.32Å; T173-Y177 WeakPolarHBondContact O-CD2 3.28Å
174A59Low66.9Low59 Ų59110.2 Ų110.249%0.48855%0.548SS..Hα-helixtrans-61.5-34.5176.500000112.1L170 K176 Y177L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 3.1Å; A174-K176 PolarHBondContact O-N 2.89Å; A174-Y177 CarbonylContact O-C 3.29Å; A174-Y177 VanDerWaalsContact O-C 3.29Å; A174-Y177 WeakPolarHBondContact O-CA 3.2Å; A174-Y177 PolarHBondContact O-N 2.95Å
175S57.9Low65.2Low73 Ų73111.5 Ų111.551%0.5155%0.551SS.*THydrogen-bonded Turntrans-66.9-17.6173.8-175.60000113.7R171 T173 Y177R171-S175 VanDerWaalsContact O-CB 3.24Å; R171-S175 WeakPolarHBondContact O-CB 3.24Å; R171-S175 PolarHBondContact O-N 3.25Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.23Å; S175-Y177 VanDerWaalsContact C-N 3.3Å
176K59.1Low63.5Low143 Ų143110 Ų11062%0.62255%0.55SS*.THydrogen-bonded Turntrans-80.8-11.5169.7-63178.3-179.4-175.90112.8S172 T173 A174S172-K176 PolarHBondContact O-N 3.47Å; T173-K176 WeakPolarHBondContact O-CA 3.38Å; T173-K176 VanDerWaalsContact O-CB 3.28Å; T173-K176 WeakPolarHBondContact O-CB 3.48Å; T173-K176 PolarHBondContact O-N 3.32Å; A174-K176 PolarHBondContact O-N 2.89Å
177Y54.1Low62.1Low119 Ų119109.6 Ų109.647%0.46755%0.549SS..SBendtrans-115.672.4174.4-60.7-80.6000107.5T173 A174 S175 I183 W184T173-Y177 WeakPolarHBondContact O-CD2 3.28Å; A174-Y177 CarbonylContact O-C 3.29Å; A174-Y177 VanDerWaalsContact O-C 3.29Å; A174-Y177 WeakPolarHBondContact O-CA 3.2Å; A174-Y177 PolarHBondContact O-N 2.95Å; S175-Y177 VanDerWaalsContact C-N 3.3Å; Y177-I183 HydrophobicContact CE1-CG2 4.42Å; Y177-W184 HydrophobicContact CD1-CE3 4.46Å; Y177-W184 HydrophobicContact CG-CE3 4.35Å
178R55.5Low60.9Low167 Ų167109.7 Ų109.763%0.6355%0.549SS*.  trans-68.2153.8172.8-77.6-173.2174.3-173.1-1.3109N180 D181R178-N180 PolarHBondContact O-N 3.43Å; R178-D181 VanDerWaalsContact O-CB 3.27Å; R178-D181 WeakPolarHBondContact O-CB 3.27Å; R178-D181 PolarHBondContact O-N 2.92Å
179P54.7Low59.8Low99 Ų99103.1 Ų103.164%0.64354%0.538SS*.THydrogen-bonded Turntrans-58.1-12172.7-2232.1000114.4
180N56.3Low58.6Low149 Ų149102.6 Ų102.680%0.79754%0.542SS*.THydrogen-bonded Turntrans-103.56.6178.1-58.8-1.5000112.5R178R178-N180 PolarHBondContact O-N 3.43Å
181D53.4Low57.5Low56 Ų56105.5 Ų105.530%0.29955%0.55SS..SBendtrans-82.6124.2175.1-132.3-45.1000108.7R178 I183 W184R178-D181 VanDerWaalsContact O-CB 3.27Å; R178-D181 WeakPolarHBondContact O-CB 3.27Å; R178-D181 PolarHBondContact O-N 2.92Å; D181-I183 PolarHBondContact O-N 2.92Å; D181-W184 PolarHBondContact O-N 3.27Å
182P56.5Low56.5Low89 Ų89103.8 Ų103.858%0.57856%0.555SS**Hα-helixtrans-52.2-32.6-175.9-26.633.7000113.4W184 T185 D186P182-W184 VanDerWaalsContact C-N 3.33Å; P182-W184 PolarHBondContact O-N 3.48Å; P182-T185 PolarHBondContact O-N 3.22Å; P182-D186 PolarHBondContact O-N 2.88Å; P182-D186 VanDerWaalsContact O-N 3.09Å
183I56.1Low55.1Low103 Ų103111.7 Ų111.753%0.52858%0.584SS.*Hα-helixtrans-66.7-31.8-179.6-59.5172000112.2Y177 D181 M187Y177-I183 HydrophobicContact CE1-CG2 4.42Å; D181-I183 PolarHBondContact O-N 2.92Å; I183-M187 PolarHBondContact O-N 3.02Å
184W52Low54.5Low106 Ų106113.9 Ų113.940%0.40259%0.592SS.*Hα-helixtrans-75.1-38.2177.9-169.5-100.6000111.6Y177 D181 P182 M187 I188Y177-W184 HydrophobicContact CD1-CE3 4.46Å; Y177-W184 HydrophobicContact CG-CE3 4.35Å; D181-W184 PolarHBondContact O-N 3.27Å; P182-W184 VanDerWaalsContact C-N 3.33Å; P182-W184 PolarHBondContact O-N 3.48Å; W184-M187 PolarHBondContact O-N 3.48Å; W184-I188 WeakPolarHBondContact O-CG1 3.42Å; W184-I188 PolarHBondContact O-N 3.35Å
185T54Low54.3Low81 Ų81116.8 Ų116.850%0.49760%0.598SS.*Hα-helixtrans-65.7-41176.4-37.90000111.4P182 I188 A189P182-T185 PolarHBondContact O-N 3.22Å; T185-I188 PolarHBondContact O-N 3.37Å; T185-A189 WeakPolarHBondContact O-CB 3.35Å; T185-A189 PolarHBondContact O-N 3.12Å
186D55Low54.1Low107 Ų107119.2 Ų119.257%0.57260%0.603SS**Hα-helixtrans-66.2-41.2176.8-76.6-16.1000112.3P182 I188 A189 T190P182-D186 PolarHBondContact O-N 2.88Å; P182-D186 VanDerWaalsContact O-N 3.09Å; D186-I188 VanDerWaalsContact C-N 3.33Å; D186-I188 PolarHBondContact O-N 3.35Å; D186-A189 PolarHBondContact O-N 3.38Å; D186-T190 PolarHBondContact O-N 3.29Å; D186-T190 VanDerWaalsContact O-N 3.12Å; D186-T190 PolarHBondContact O-OG1 3.36Å
187M56Low53.8Low104 Ų104117.8 Ų117.851%0.51260%0.602SS.*Hα-helixtrans-62.8-35.5178.1-99.5-177.457.600113.7I183 W184 T190I183-M187 PolarHBondContact O-N 3.02Å; W184-M187 PolarHBondContact O-N 3.48Å; M187-T190 PolarHBondContact O-OG1 3.09Å
188I55.4Low53.8Low96 Ų96117.8 Ų117.849%0.49261%0.61SS.*Hα-helixtrans-78.6-39.1178.5-61.6175.1000110.3W184 T185 D186 T190 K191W184-I188 WeakPolarHBondContact O-CG1 3.42Å; W184-I188 PolarHBondContact O-N 3.35Å; T185-I188 PolarHBondContact O-N 3.37Å; D186-I188 VanDerWaalsContact C-N 3.33Å; D186-I188 PolarHBondContact O-N 3.35Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 3.01Å; I188-K191 PolarHBondContact O-N 3.06Å
189A55.8Low53.7Low62 Ų62114.5 Ų114.551%0.51261%0.609SS.*Hα-helixtrans-65.3-29.9179.300000113.5T185 D186T185-A189 WeakPolarHBondContact O-CB 3.35Å; T185-A189 PolarHBondContact O-N 3.12Å; D186-A189 PolarHBondContact O-N 3.38Å
190T55.3Low53.6Low98 Ų98115.6 Ų115.660%0.60161%0.606SS**THydrogen-bonded Turntrans-80.8-5.8179.347.50000115.7D186 M187 I188D186-T190 PolarHBondContact O-N 3.29Å; D186-T190 VanDerWaalsContact O-N 3.12Å; D186-T190 PolarHBondContact O-OG1 3.36Å; M187-T190 PolarHBondContact O-OG1 3.09Å; I188-T190 VanDerWaalsContact C-N 3.3Å; I188-T190 PolarHBondContact O-N 3.01Å
191K52.3Low53.4Low177 Ų177113 Ų11377%0.7759%0.592SS**THydrogen-bonded Turntrans-94.8-8.5179.7-83.1-168.6174.2-174.10114.8I188I188-K191 PolarHBondContact O-N 3.06Å
192D50.5Low53.4Low153 Ų153117.8 Ų117.882%0.81862%0.616SS**  trans-110.316.2-178.5-83.1-19.8000113.6
193Q41.6Very low53.1Low237 Ų237120.4 Ų120.4100%1.10762%0.619SS**  trans-111.40170.7-77-172.2-21.700111.3

Retrieved 193 of 193 residues in 56.6 ms (Link to these results)

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