A0A077Z7J4_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z7J4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M46.1Very low54.4Low243 Ų243150.9 Ų150.9100%1.19778%0.777SS**  098.10-70.6167.210900107.8S3M1-S3 PolarHBondContact O-N 2.9Å
2Q43.6Very low55.7Low195 Ų195147.5 Ų147.591%0.91176%0.761SS**  trans-90.693.1173.2-90.9174.9-23.400107.8S4Q2-S4 VanDerWaalsContact C-N 3.34Å; Q2-S4 PolarHBondContact O-N 3.24Å; Q2-S4 VanDerWaalsContact O-N 3.13Å
3S57.2Low57Low116 Ų116145.2 Ų145.281%0.81174%0.744SS**  trans-82.287.3170.758.50000109.3M1 S5M1-S3 PolarHBondContact O-N 2.9Å; S3-S5 PolarHBondContact O-N 3.3Å
4S50.2Low58.4Low102 Ų102145.7 Ų145.771%0.71374%0.739SS**  trans5.8108.4147.7-46.10000116.7Q2 R6Q2-S4 VanDerWaalsContact C-N 3.34Å; Q2-S4 PolarHBondContact O-N 3.24Å; Q2-S4 VanDerWaalsContact O-N 3.13Å; S4-R6 PolarHBondContact O-N 3.29Å
5S55.8Low59.8Low117 Ų117145.9 Ų145.982%0.81873%0.728SS**  trans-66.244.4172.861.90000114.5S3S3-S5 PolarHBondContact O-N 3.3Å
6R55.1Low61.2Low235 Ų235143.8 Ų143.889%0.88772%0.72SS**  trans-93.37.1-170.5-126.1178.1-173.8173.31.3114.9S4S4-R6 PolarHBondContact O-N 3.29Å
7K55.2Low62.6Low187 Ų187142.1 Ų142.181%0.81371%0.709SS**SBendtrans-102.8-16.3-169.4-145166.4-177.4178.20116.2
8D56.3Low63.9Low127 Ų127141.1 Ų141.168%0.67970%0.7SS**SBendtrans-97.1-11.2-170.2-62.7-38.5000115.9S10 G11D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 PolarHBondContact O-N 3.13Å; D8-G11 PolarHBondContact O-N 3.13Å
9R56.7Low65.3Low229 Ų229140.5 Ų140.586%0.86469%0.694SS**Hα-helixtrans-67.7-28.8-179.6-74.6-172.8177.3-179.7-1.5113.8Q13R9-Q13 PolarHBondContact O-N 3.3Å
10S60.5Low66.5Low83 Ų83135.7 Ų135.758%0.5868%0.681SS**Hα-helixtrans-75.1-2518077.10000113.5D8 K14D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 PolarHBondContact O-N 3.13Å; S10-K14 WeakPolarHBondContact O-CG 3.21Å
11G62.1Low67.7Low26 Ų26133 Ų13327%0.26867%0.672SS.*Hα-helixtrans-72-51.9177.600000110.9D8 Q13 K14 Y15D8-G11 PolarHBondContact O-N 3.13Å; G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 3.38Å; G11-K14 PolarHBondContact O-N 2.87Å; G11-K14 VanDerWaalsContact O-N 3.16Å; G11-Y15 WeakPolarHBondContact O-CD2 3.19Å; G11-Y15 PolarHBondContact O-N 3.15Å
12N69.7Low69.8Low110 Ų110124.2 Ų124.259%0.58863%0.632SS**Hα-helixtrans-60.5-40-179.6-76.312.6000112.7K14 Y15 D16N12-K14 VanDerWaalsContact C-N 3.3Å; N12-K14 PolarHBondContact O-N 3.11Å; N12-Y15 PolarHBondContact O-N 2.89Å; N12-Y15 VanDerWaalsContact O-N 3.13Å; N12-D16 PolarHBondContact O-N 2.93Å
13Q72.9Confident72Confident117 Ų117119.1 Ų119.155%0.54761%0.611SS.*Hα-helixtrans-61.7-37.1178-170.3174.5-3.800112.7R9 G11 D16 E17R9-Q13 PolarHBondContact O-N 3.3Å; G11-Q13 VanDerWaalsContact C-N 3.32Å; G11-Q13 PolarHBondContact O-N 3.38Å; Q13-D16 PolarHBondContact O-N 3.13Å; Q13-E17 WeakPolarHBondContact O-CB 3.48Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 2.99Å
14K76.1Confident73.7Confident153 Ų153119.8 Ų119.867%0.66560%0.599SS**Hα-helixtrans-68.7-35.8175.4-72.8-173.9177.6-169.80112.7S10 G11 N12 F18S10-K14 WeakPolarHBondContact O-CG 3.21Å; G11-K14 PolarHBondContact O-N 2.87Å; G11-K14 VanDerWaalsContact O-N 3.16Å; N12-K14 VanDerWaalsContact C-N 3.3Å; N12-K14 PolarHBondContact O-N 3.11Å; K14-F18 VanDerWaalsContact O-CB 3.31Å; K14-F18 WeakPolarHBondContact O-CB 3.49Å; K14-F18 PolarHBondContact O-N 3.06Å
15Y79.7Confident75.5Confident149 Ų149119.5 Ų119.558%0.58459%0.589SS**Hα-helixtrans-68-42.9174.8-70.4-66.6000110.9G11 N12 E17 F18 F19G11-Y15 WeakPolarHBondContact O-CD2 3.19Å; G11-Y15 PolarHBondContact O-N 3.15Å; N12-Y15 PolarHBondContact O-N 2.89Å; N12-Y15 VanDerWaalsContact O-N 3.13Å; Y15-E17 PolarHBondContact O-N 3.16Å; Y15-F18 PolarHBondContact O-N 3.17Å; Y15-F19 WeakPolarHBondContact O-CD2 3.49Å; Y15-F19 PolarHBondContact O-N 2.93Å
16D81.9Confident77.2Confident112 Ų112117.7 Ų117.760%0.59957%0.573SS**Hα-helixtrans-62.7-42.3177-67-25.6000111.6N12 Q13 F19 G20N12-D16 PolarHBondContact O-N 2.93Å; Q13-D16 PolarHBondContact O-N 3.13Å; D16-F19 PolarHBondContact O-N 3.06Å; D16-G20 PolarHBondContact O-N 3.21Å
17E84.4Confident78.9Confident114 Ų114111.4 Ų111.453%0.53355%0.554SS.*Hα-helixtrans-64-41.1174-76.8172.1-166.800112.3Q13 Y15 G20 T21Q13-E17 WeakPolarHBondContact O-CB 3.48Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 2.99Å; Y15-E17 PolarHBondContact O-N 3.16Å; E17-G20 PolarHBondContact O-N 2.93Å; E17-T21 WeakPolarHBondContact O-CB 3.47Å; E17-T21 PolarHBondContact O-N 3.43Å; E17-T21 PolarHBondContact O-OG1 3.42Å
18F86.8Confident80.6Confident125 Ų125106.8 Ų106.855%0.54854%0.535SS..Hα-helixtrans-62.7-50.2175.4175.4-99.6000111.3K14 Y15 G20 T21 V22K14-F18 VanDerWaalsContact O-CB 3.31Å; K14-F18 WeakPolarHBondContact O-CB 3.49Å; K14-F18 PolarHBondContact O-N 3.06Å; Y15-F18 PolarHBondContact O-N 3.17Å; F18-G20 VanDerWaalsContact C-N 3.33Å; F18-G20 PolarHBondContact O-N 2.99Å; F18-T21 PolarHBondContact O-N 3.1Å; F18-V22 HydrophobicContact CD1-CG2 4.34Å; F18-V22 HydrophobicContact CD2-CG2 4.43Å; F18-V22 HydrophobicContact CE1-CG2 3.91Å; F18-V22 HydrophobicContact CE2-CG2 4.02Å; F18-V22 HydrophobicContact CZ-CG2 3.74Å; F18-V22 WeakPolarHBondContact O-CG2 3.36Å; F18-V22 PolarHBondContact O-N 3.39Å
19F89.6Confident82.1Confident130 Ų130105.3 Ų105.357%0.5753%0.526SS*.Hα-helixtrans-63.9-38.3178-78.7-64.2000112Y15 D16 V22 N23Y15-F19 WeakPolarHBondContact O-CD2 3.49Å; Y15-F19 PolarHBondContact O-N 2.93Å; D16-F19 PolarHBondContact O-N 3.06Å; F19-V22 PolarHBondContact O-N 3.37Å; F19-N23 VanDerWaalsContact O-CB 3.27Å; F19-N23 WeakPolarHBondContact O-CB 3.42Å; F19-N23 PolarHBondContact O-N 3.19Å
20G90.3Very high83.6Confident43 Ų4397.7 Ų97.744%0.44351%0.505SS..Hα-helixtrans-60.7-44.2173.600000112.2D16 E17 F18 N23 F24D16-G20 PolarHBondContact O-N 3.21Å; E17-G20 PolarHBondContact O-N 2.93Å; F18-G20 VanDerWaalsContact C-N 3.33Å; F18-G20 PolarHBondContact O-N 2.99Å; G20-N23 PolarHBondContact O-N 3.21Å; G20-F24 WeakPolarHBondContact O-CB 3.47Å; G20-F24 PolarHBondContact O-N 3.4Å
21T91.9Very high84.9Confident80 Ų8098.7 Ų98.749%0.49150%0.504SS..Hα-helixtrans-65.4-44.9177.4-54.90000111.6E17 F18 N23 F24 L25E17-T21 WeakPolarHBondContact O-CB 3.47Å; E17-T21 PolarHBondContact O-N 3.43Å; E17-T21 PolarHBondContact O-OG1 3.42Å; F18-T21 PolarHBondContact O-N 3.1Å; T21-N23 PolarHBondContact O-N 3.31Å; T21-F24 PolarHBondContact O-N 3.46Å; T21-L25 HydrophobicContact CG2-CD1 4.22Å; T21-L25 WeakPolarHBondContact O-CG 3.37Å; T21-L25 PolarHBondContact O-N 3.17Å
22V90.2Very high85.9Confident58 Ų58102.9 Ų102.935%0.35252%0.516SS..Hα-helixtrans-62-44.8176.8171.70000110.6F18 F19 F24 L25 V26F18-V22 HydrophobicContact CD1-CG2 4.34Å; F18-V22 HydrophobicContact CD2-CG2 4.43Å; F18-V22 HydrophobicContact CE1-CG2 3.91Å; F18-V22 HydrophobicContact CE2-CG2 4.02Å; F18-V22 HydrophobicContact CZ-CG2 3.74Å; F18-V22 WeakPolarHBondContact O-CG2 3.36Å; F18-V22 PolarHBondContact O-N 3.39Å; F19-V22 PolarHBondContact O-N 3.37Å; V22-F24 VanDerWaalsContact C-N 3.35Å; V22-F24 PolarHBondContact O-N 3.37Å; V22-L25 PolarHBondContact O-N 3.18Å; V22-V26 HydrophobicContact CG1-CG2 4.4Å; V22-V26 WeakPolarHBondContact O-CG2 3.48Å; V22-V26 PolarHBondContact O-N 3.44Å
23N90.2Very high86.4Confident89 Ų89102.2 Ų102.248%0.47651%0.512SS..Hα-helixtrans-64.3-40.2179.4-168.760.2000112F19 G20 T21 V26 Q27F19-N23 VanDerWaalsContact O-CB 3.27Å; F19-N23 WeakPolarHBondContact O-CB 3.42Å; F19-N23 PolarHBondContact O-N 3.19Å; G20-N23 PolarHBondContact O-N 3.21Å; T21-N23 PolarHBondContact O-N 3.31Å; N23-V26 PolarHBondContact O-N 3.02Å; N23-Q27 PolarHBondContact ND2-NE2 3.3Å; N23-Q27 WeakPolarHBondContact O-CG 3.36Å; N23-Q27 PolarHBondContact O-N 3.27Å
24F91.7Very high86.7Confident130 Ų130100.5 Ų100.557%0.5751%0.507SS*.Hα-helixtrans-60.4-45.7173.4176.1-97.3000111.9G20 T21 V22 V26 Q27 H28G20-F24 WeakPolarHBondContact O-CB 3.47Å; G20-F24 PolarHBondContact O-N 3.4Å; T21-F24 PolarHBondContact O-N 3.46Å; V22-F24 VanDerWaalsContact C-N 3.35Å; V22-F24 PolarHBondContact O-N 3.37Å; F24-V26 PolarHBondContact O-N 2.91Å; F24-Q27 PolarHBondContact O-N 3.31Å; F24-H28 WeakPolarHBondContact O-CB 3.49Å; F24-H28 PolarHBondContact O-N 3.27Å
25L89.4Confident86.9Confident96 Ų9696.9 Ų96.950%0.50350%0.501SS..Hα-helixtrans-63.9-41.1178-73168.5000112.2T21 V22 H28 I29T21-L25 HydrophobicContact CG2-CD1 4.22Å; T21-L25 WeakPolarHBondContact O-CG 3.37Å; T21-L25 PolarHBondContact O-N 3.17Å; V22-L25 PolarHBondContact O-N 3.18Å; L25-H28 PolarHBondContact O-N 3.43Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.5Å; L25-I29 PolarHBondContact O-N 3.46Å
26V90.4Very high86.9Confident78 Ų7894.9 Ų94.947%0.47350%0.5SS..Hα-helixtrans-62.9-44.6176.6170.90000110.8V22 N23 F24 I29 V30V22-V26 HydrophobicContact CG1-CG2 4.4Å; V22-V26 WeakPolarHBondContact O-CG2 3.48Å; V22-V26 PolarHBondContact O-N 3.44Å; N23-V26 PolarHBondContact O-N 3.02Å; F24-V26 PolarHBondContact O-N 2.91Å; V26-I29 PolarHBondContact O-N 2.96Å; V26-V30 WeakPolarHBondContact O-CG2 3.49Å; V26-V30 PolarHBondContact O-N 3.22Å
27Q91.3Very high86.8Confident103 Ų10393 Ų9348%0.48149%0.492SS..Hα-helixtrans-61.1-45.4176.3-75.3174.7-1200111.5N23 F24 I29 V30 D31N23-Q27 PolarHBondContact ND2-NE2 3.3Å; N23-Q27 WeakPolarHBondContact O-CG 3.36Å; N23-Q27 PolarHBondContact O-N 3.27Å; F24-Q27 PolarHBondContact O-N 3.31Å; Q27-I29 VanDerWaalsContact C-N 3.33Å; Q27-I29 PolarHBondContact O-N 3.42Å; Q27-V30 PolarHBondContact O-N 2.95Å; Q27-V30 VanDerWaalsContact O-N 3.14Å; Q27-D31 PolarHBondContact O-N 3.39Å
28H91.2Very high86.3Confident91 Ų9193.3 Ų93.342%0.42149%0.494SS..Hα-helixtrans-59.7-41.6177.3-171.2-84.3000112.6F24 L25 D31 E32F24-H28 WeakPolarHBondContact O-CB 3.49Å; F24-H28 PolarHBondContact O-N 3.27Å; L25-H28 PolarHBondContact O-N 3.43Å; H28-D31 PolarHBondContact O-N 2.93Å; H28-E32 IonicContact CE1-OE1 3.23Å; H28-E32 PolarHBondContact CE1-OE1 3.04Å; H28-E32 VanDerWaalsContact CE1-OE1 3.23Å; H28-E32 IonicContact ND1-OE1 3.97Å; H28-E32 PolarHBondContact O-N 3.41Å
29I88.4Confident86.1Confident96 Ų9690.5 Ų90.549%0.49249%0.488SS..Hα-helixtrans-64.1-42.4176.1-69.3165.5000110.9L25 V26 Q27 E32 L33L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.5Å; L25-I29 PolarHBondContact O-N 3.46Å; V26-I29 PolarHBondContact O-N 2.96Å; Q27-I29 VanDerWaalsContact C-N 3.33Å; Q27-I29 PolarHBondContact O-N 3.42Å; I29-E32 PolarHBondContact O-N 3.36Å; I29-L33 HydrophobicContact CG2-CD1 3.92Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.28Å; I29-L33 PolarHBondContact O-N 2.97Å
30V87.3Confident85.8Confident68 Ų6889 Ų8941%0.41248%0.484SS..Hα-helixtrans-63.3-43.8177.6170.50000111V26 Q27 L33 N34V26-V30 WeakPolarHBondContact O-CG2 3.49Å; V26-V30 PolarHBondContact O-N 3.22Å; Q27-V30 PolarHBondContact O-N 2.95Å; Q27-V30 VanDerWaalsContact O-N 3.14Å; V30-L33 PolarHBondContact O-N 3.37Å; V30-N34 WeakPolarHBondContact O-CB 3.48Å; V30-N34 VanDerWaalsContact O-CG 3.27Å; V30-N34 PolarHBondContact O-N 3.43Å; V30-N34 PolarHBondContact O-ND2 3.24Å
31D87.4Confident85.3Confident105 Ų10589.9 Ų89.956%0.56149%0.487SS*.Hα-helixtrans-65.1-42.6178.7-69.3-20.8000111.6Q27 H28 N34 S35Q27-D31 PolarHBondContact O-N 3.39Å; H28-D31 PolarHBondContact O-N 2.93Å; D31-N34 PolarHBondContact O-N 3.12Å; D31-S35 WeakPolarHBondContact O-CB 3.42Å; D31-S35 PolarHBondContact O-N 2.87Å
32E84.3Confident84.7Confident113 Ų11394.3 Ų94.353%0.52850%0.496SS..Hα-helixtrans-62-44.4173.9-80.1-161.5167.400111.9H28 I29 N34 S35 L36H28-E32 IonicContact CE1-OE1 3.23Å; H28-E32 PolarHBondContact CE1-OE1 3.04Å; H28-E32 VanDerWaalsContact CE1-OE1 3.23Å; H28-E32 IonicContact ND1-OE1 3.97Å; H28-E32 PolarHBondContact O-N 3.41Å; I29-E32 PolarHBondContact O-N 3.36Å; E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 PolarHBondContact O-N 3.19Å; E32-S35 PolarHBondContact O-N 3.5Å; E32-S35 PolarHBondContact O-OG 2.89Å; E32-L36 PolarHBondContact O-N 3.01Å
33L78.7Confident84.2Confident97 Ų97100.5 Ų100.551%0.50851%0.513SS..Hα-helixtrans-62.2-41.6177.2-74.7172.6000111.9I29 V30 L36 T37I29-L33 HydrophobicContact CG2-CD1 3.92Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 VanDerWaalsContact O-CG 3.25Å; I29-L33 WeakPolarHBondContact O-CG 3.28Å; I29-L33 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 3.37Å; L33-L36 PolarHBondContact O-N 3.29Å; L33-T37 WeakPolarHBondContact O-CB 3.5Å; L33-T37 VanDerWaalsContact O-CG2 3.26Å; L33-T37 WeakPolarHBondContact O-CG2 3.42Å; L33-T37 PolarHBondContact O-N 2.94Å; L33-T37 PolarHBondContact O-OG1 2.95Å
34N79.5Confident83.9Confident80 Ų80101.4 Ų101.443%0.42852%0.517SS..Hα-helixtrans-65.3-43.2175.7-71.7-23.5000111.1V30 D31 E32 L36 T37 E38V30-N34 WeakPolarHBondContact O-CB 3.48Å; V30-N34 VanDerWaalsContact O-CG 3.27Å; V30-N34 PolarHBondContact O-N 3.43Å; V30-N34 PolarHBondContact O-ND2 3.24Å; D31-N34 PolarHBondContact O-N 3.12Å; E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 PolarHBondContact O-N 3.19Å; N34-L36 PolarHBondContact O-N 3.35Å; N34-T37 WeakPolarHBondContact CA-OG1 3.41Å; N34-T37 PolarHBondContact O-N 3.44Å; N34-T37 PolarHBondContact O-OG1 2.97Å; N34-E38 PolarHBondContact O-N 3.5Å; N34-E38 VanDerWaalsContact O-N 3.1Å
35S80.3Confident83.5Confident78 Ų7897.5 Ų97.555%0.54551%0.509SS..Hα-helixtrans-62.3-26.4177.781.30000113.4D31 E32 P39D31-S35 WeakPolarHBondContact O-CB 3.42Å; D31-S35 PolarHBondContact O-N 2.87Å; E32-S35 PolarHBondContact O-N 3.5Å; E32-S35 PolarHBondContact O-OG 2.89Å; S35-P39 WeakPolarHBondContact O-CD 3.49Å; S35-P39 WeakPolarHBondContact O-CG 3.41Å
36L80Confident83Confident106 Ų10694.7 Ų94.756%0.55550%0.5SS*.Hα-helixtrans-88.5-40177.2-176.465.3000112.5E32 L33 N34 P39 M40E32-L36 PolarHBondContact O-N 3.01Å; L33-L36 PolarHBondContact O-N 3.29Å; N34-L36 PolarHBondContact O-N 3.35Å; L36-P39 WeakPolarHBondContact O-CD 3.33Å; L36-M40 HydrophobicContact CG-CE 4.33Å; L36-M40 WeakPolarHBondContact O-CB 3.49Å; L36-M40 PolarHBondContact O-N 3.37Å
37T79.9Confident82.6Confident72 Ų7295.6 Ų95.644%0.44250%0.501SS..Hα-helixtrans-70.7-38.9-175.747.40000112.1L33 N34 M40 A41L33-T37 WeakPolarHBondContact O-CB 3.5Å; L33-T37 VanDerWaalsContact O-CG2 3.26Å; L33-T37 WeakPolarHBondContact O-CG2 3.42Å; L33-T37 PolarHBondContact O-N 2.94Å; L33-T37 PolarHBondContact O-OG1 2.95Å; N34-T37 WeakPolarHBondContact CA-OG1 3.41Å; N34-T37 PolarHBondContact O-N 3.44Å; N34-T37 PolarHBondContact O-OG1 2.97Å; T37-M40 PolarHBondContact O-N 3.06Å; T37-A41 WeakPolarHBondContact O-CB 3.41Å; T37-A41 PolarHBondContact O-N 3.27Å
38E74.1Confident82.3Confident122 Ų12293.6 Ų93.657%0.5750%0.499SS*.Hα-helixtrans-59.2-55.9178.4-79-177.5-174.500112.3N34 M40 A41 Y42N34-E38 PolarHBondContact O-N 3.5Å; N34-E38 VanDerWaalsContact O-N 3.1Å; E38-M40 PolarHBondContact O-N 3.48Å; E38-A41 PolarHBondContact O-N 3.3Å; E38-Y42 WeakPolarHBondContact O-CD2 3.49Å; E38-Y42 PolarHBondContact O-N 2.9Å
39P83Confident82Confident66 Ų6691.8 Ų91.843%0.42949%0.494SS..Hα-helixtrans-59.6-34.8176.5-23.132.5000113.2S35 L36 Y42 R43S35-P39 WeakPolarHBondContact O-CD 3.49Å; S35-P39 WeakPolarHBondContact O-CG 3.41Å; L36-P39 WeakPolarHBondContact O-CD 3.33Å; P39-Y42 PolarHBondContact O-N 3.05Å; P39-R43 WeakPolarHBondContact O-CB 3.43Å; P39-R43 VanDerWaalsContact O-CG 3.28Å; P39-R43 WeakPolarHBondContact O-CG 3.1Å; P39-R43 PolarHBondContact O-N 2.9Å
40M82.4Confident81.8Confident99 Ų9991 Ų9149%0.48849%0.487SS..Hα-helixtrans-67.4-42.9178.4-167.7178.9-61.900111.2L36 T37 E38 R43 L44L36-M40 HydrophobicContact CG-CE 4.33Å; L36-M40 WeakPolarHBondContact O-CB 3.49Å; L36-M40 PolarHBondContact O-N 3.37Å; T37-M40 PolarHBondContact O-N 3.06Å; E38-M40 PolarHBondContact O-N 3.48Å; M40-R43 PolarHBondContact O-N 3.22Å; M40-L44 HydrophobicContact CG-CD1 4.16Å; M40-L44 HydrophobicContact CG-CG 4.5Å; M40-L44 WeakPolarHBondContact O-CB 3.38Å; M40-L44 VanDerWaalsContact O-CG 3.29Å; M40-L44 WeakPolarHBondContact O-CG 3.41Å; M40-L44 PolarHBondContact O-N 3.24Å
41A80.7Confident81.8Confident60 Ų6093.1 Ų93.150%0.49650%0.495SS..Hα-helixtrans-60.9-45.1175.100000111.4T37 E38 R43 L44 A45T37-A41 WeakPolarHBondContact O-CB 3.41Å; T37-A41 PolarHBondContact O-N 3.27Å; E38-A41 PolarHBondContact O-N 3.3Å; A41-R43 PolarHBondContact O-N 3.46Å; A41-L44 PolarHBondContact O-N 3.19Å; A41-A45 WeakPolarHBondContact O-CB 3.28Å; A41-A45 PolarHBondContact O-N 2.95Å
42Y78.6Confident81.6Confident173 Ų17392.6 Ų92.668%0.67849%0.492SS*.Hα-helixtrans-61.4-42.8175-77.4-68.9000112.5E38 P39 A45 A46E38-Y42 WeakPolarHBondContact O-CD2 3.49Å; E38-Y42 PolarHBondContact O-N 2.9Å; P39-Y42 PolarHBondContact O-N 3.05Å; Y42-A45 PolarHBondContact O-N 3.38Å; Y42-A46 WeakPolarHBondContact O-CB 3.36Å; Y42-A46 PolarHBondContact O-N 3.33Å
43R79.2Confident81.2Confident188 Ų18889.8 Ų89.871%0.70948%0.48SS*.Hα-helixtrans-64.6-41.8177-78.1177.3135.8-158.6-4.8112.1P39 M40 A41 A46 L47P39-R43 WeakPolarHBondContact O-CB 3.43Å; P39-R43 VanDerWaalsContact O-CG 3.28Å; P39-R43 WeakPolarHBondContact O-CG 3.1Å; P39-R43 PolarHBondContact O-N 2.9Å; M40-R43 PolarHBondContact O-N 3.22Å; A41-R43 PolarHBondContact O-N 3.46Å; R43-A46 PolarHBondContact O-N 3.27Å; R43-L47 WeakPolarHBondContact O-CB 2.96Å; R43-L47 WeakPolarHBondContact O-CG 3.17Å; R43-L47 PolarHBondContact O-N 3.37Å
44L85.2Confident81.5Confident108 Ų10890.1 Ų90.157%0.56548%0.482SS*.Hα-helixtrans-65.1-42.6176.4-74.1170.8000111.4M40 A41 L47 S48M40-L44 HydrophobicContact CG-CD1 4.16Å; M40-L44 HydrophobicContact CG-CG 4.5Å; M40-L44 WeakPolarHBondContact O-CB 3.38Å; M40-L44 VanDerWaalsContact O-CG 3.29Å; M40-L44 WeakPolarHBondContact O-CG 3.41Å; M40-L44 PolarHBondContact O-N 3.24Å; A41-L44 PolarHBondContact O-N 3.19Å; L44-L47 PolarHBondContact O-N 3.5Å; L44-S48 PolarHBondContact O-N 3.2Å
45A81.9Confident81.6Confident48 Ų4889.6 Ų89.640%0.39748%0.484SS..Hα-helixtrans-60.8-46174.500000111.4A41 Y42 L47 S48 V49A41-A45 WeakPolarHBondContact O-CB 3.28Å; A41-A45 PolarHBondContact O-N 2.95Å; Y42-A45 PolarHBondContact O-N 3.38Å; A45-L47 VanDerWaalsContact C-N 3.32Å; A45-L47 PolarHBondContact O-N 3.47Å; A45-S48 WeakPolarHBondContact O-CB 3.45Å; A45-S48 PolarHBondContact O-N 3.1Å; A45-V49 WeakPolarHBondContact O-CG2 3.38Å; A45-V49 PolarHBondContact O-N 3.33Å; A45-V49 VanDerWaalsContact O-N 3.1Å
46A78.9Confident81.4Confident38 Ų3888.8 Ų88.831%0.31448%0.483SS..Hα-helixtrans-61.9-38.6176.700000112.6Y42 R43 K50Y42-A46 WeakPolarHBondContact O-CB 3.36Å; Y42-A46 PolarHBondContact O-N 3.33Å; R43-A46 PolarHBondContact O-N 3.27Å; A46-K50 WeakPolarHBondContact O-CG 3.29Å; A46-K50 PolarHBondContact O-N 3.21Å
47L82.9Confident81.3Confident96 Ų9689.2 Ų89.250%0.50348%0.483SS..Hα-helixtrans-67.2-40.2174.5-74.6172.6000112R43 L44 A45 V49 K50 I51R43-L47 WeakPolarHBondContact O-CB 2.96Å; R43-L47 WeakPolarHBondContact O-CG 3.17Å; R43-L47 PolarHBondContact O-N 3.37Å; L44-L47 PolarHBondContact O-N 3.5Å; A45-L47 VanDerWaalsContact C-N 3.32Å; A45-L47 PolarHBondContact O-N 3.47Å; L47-V49 PolarHBondContact O-N 3.21Å; L47-K50 PolarHBondContact O-N 2.95Å; L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.41Å
48S85.5Confident81.3Confident62 Ų6288.2 Ų88.243%0.43448%0.482SS..Hα-helixtrans-57.5-49.3176.7-166.50000111.1L44 A45 K50 I51 D52L44-S48 PolarHBondContact O-N 3.2Å; A45-S48 WeakPolarHBondContact O-CB 3.45Å; A45-S48 PolarHBondContact O-N 3.1Å; S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 2.87Å; S48-I51 WeakPolarHBondContact O-CB 3.36Å; S48-I51 PolarHBondContact O-N 2.91Å; S48-I51 VanDerWaalsContact O-N 3.08Å; S48-D52 PolarHBondContact O-N 3.08Å
49V83.9Confident81.4Confident53 Ų5385.7 Ų85.732%0.32148%0.478SS..Hα-helixtrans-61.7-38.71791800000111.5A45 L47 I51 D52 N53 I123A45-V49 WeakPolarHBondContact O-CG2 3.38Å; A45-V49 PolarHBondContact O-N 3.33Å; A45-V49 VanDerWaalsContact O-N 3.1Å; L47-V49 PolarHBondContact O-N 3.21Å; V49-I51 VanDerWaalsContact C-N 3.35Å; V49-I51 PolarHBondContact O-N 2.98Å; V49-D52 PolarHBondContact O-N 2.84Å; V49-N53 PolarHBondContact O-N 3.27Å; V49-I123 HydrophobicContact CB-CD1 4.41Å; V49-I123 HydrophobicContact CG1-CD1 3.54Å
50K84.6Confident81Confident80 Ų8084.3 Ų84.335%0.34847%0.472SS..Hα-helixtrans-63.9-40.3175.3-72.8-179.7-177.5-170.90112A46 L47 S48 N53 I54A46-K50 WeakPolarHBondContact O-CG 3.29Å; A46-K50 PolarHBondContact O-N 3.21Å; L47-K50 PolarHBondContact O-N 2.95Å; S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 2.87Å; K50-N53 PolarHBondContact O-N 3.46Å; K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.38Å; K50-I54 PolarHBondContact O-N 3.28Å
51I87.3Confident80.8Confident111 Ų11184.9 Ų84.957%0.56948%0.476SS*.Hα-helixtrans-64.6-43.9176.5-69.4167.4000110.3L47 S48 V49 N53 I54 S55L47-I51 WeakPolarHBondContact O-CG1 3.38Å; L47-I51 PolarHBondContact O-N 3.41Å; S48-I51 WeakPolarHBondContact O-CB 3.36Å; S48-I51 PolarHBondContact O-N 2.91Å; S48-I51 VanDerWaalsContact O-N 3.08Å; V49-I51 VanDerWaalsContact C-N 3.35Å; V49-I51 PolarHBondContact O-N 2.98Å; I51-N53 VanDerWaalsContact C-N 3.33Å; I51-N53 PolarHBondContact O-N 2.93Å; I51-I54 PolarHBondContact O-N 3.4Å; I51-S55 WeakPolarHBondContact O-CB 3.34Å; I51-S55 PolarHBondContact O-N 3.25Å
52D83.2Confident80.8Confident95 Ų9587.7 Ų87.751%0.50848%0.48SS..Hα-helixtrans-60.7-43.2177-66.3-26.8000111.3S48 V49 I54 S55 A56S48-D52 PolarHBondContact O-N 3.08Å; V49-D52 PolarHBondContact O-N 2.84Å; D52-I54 PolarHBondContact O-N 3.18Å; D52-S55 PolarHBondContact O-N 3.04Å; D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.92Å
53N76.5Confident80.7Confident53 Ų5381 Ų8128%0.28346%0.462SS..Hα-helixtrans-62.2-43.3175.1-75.5-11.1000112.3V49 K50 I51 S55 A56 M57V49-N53 PolarHBondContact O-N 3.27Å; K50-N53 PolarHBondContact O-N 3.46Å; I51-N53 VanDerWaalsContact C-N 3.33Å; I51-N53 PolarHBondContact O-N 2.93Å; N53-S55 VanDerWaalsContact C-N 3.32Å; N53-A56 PolarHBondContact O-N 3.42Å; N53-M57 WeakPolarHBondContact O-CG 3.26Å; N53-M57 PolarHBondContact O-N 2.93Å
54I84Confident80.4Confident105 Ų10579.9 Ų79.954%0.53846%0.458SS..Hα-helixtrans-62.8-42.4175.7-70.1165.4000110.3K50 I51 D52 M57 A58K50-I54 VanDerWaalsContact O-CG1 3.28Å; K50-I54 WeakPolarHBondContact O-CG1 3.38Å; K50-I54 PolarHBondContact O-N 3.28Å; I51-I54 PolarHBondContact O-N 3.4Å; D52-I54 PolarHBondContact O-N 3.18Å; I54-M57 HydrophobicContact CB-CE 4.47Å; I54-M57 HydrophobicContact CG1-CE 4.05Å; I54-M57 PolarHBondContact O-N 3.33Å; I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.87Å
55S80.6Confident79.9Confident68 Ų6879.9 Ų79.948%0.47646%0.458SS..Hα-helixtrans-63-43.2177.8-1670000111.5I51 D52 N53 A58 S59I51-S55 WeakPolarHBondContact O-CB 3.34Å; I51-S55 PolarHBondContact O-N 3.25Å; D52-S55 PolarHBondContact O-N 3.04Å; N53-S55 VanDerWaalsContact C-N 3.32Å; S55-A58 PolarHBondContact O-N 2.85Å; S55-S59 PolarHBondContact O-N 2.86Å; S55-S59 PolarHBondContact O-OG 3.28Å
56A76.9Confident79.3Confident62 Ų6281.5 Ų81.551%0.51246%0.46SS..Hα-helixtrans-62.9-43.2176.800000111.9D52 N53 A58 S59 A60D52-A56 WeakPolarHBondContact O-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.92Å; N53-A56 PolarHBondContact O-N 3.42Å; A56-A58 PolarHBondContact O-N 3.41Å; A56-S59 PolarHBondContact O-N 3.4Å; A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.88Å
57M79Confident78.6Confident115 Ų11585.3 Ų85.357%0.56748%0.475SS*.Hα-helixtrans-61.6-43.1174.4-72.8-171.4-62.100111.9N53 I54 A60 L61N53-M57 WeakPolarHBondContact O-CG 3.26Å; N53-M57 PolarHBondContact O-N 2.93Å; I54-M57 HydrophobicContact CB-CE 4.47Å; I54-M57 HydrophobicContact CG1-CE 4.05Å; I54-M57 PolarHBondContact O-N 3.33Å; M57-A60 PolarHBondContact O-N 3.27Å; M57-L61 WeakPolarHBondContact O-CG 3.36Å; M57-L61 PolarHBondContact O-N 3.17Å
58A79.3Confident77.4Confident51 Ų5186.7 Ų86.742%0.42148%0.483SS..Hα-helixtrans-61.5-44.8177.400000111.4I54 S55 A56 A60 L61 E62I54-A58 WeakPolarHBondContact O-CB 3.41Å; I54-A58 PolarHBondContact O-N 2.87Å; S55-A58 PolarHBondContact O-N 2.85Å; A56-A58 PolarHBondContact O-N 3.41Å; A58-A60 PolarHBondContact O-N 3.49Å; A58-L61 PolarHBondContact O-N 3.31Å; A58-E62 WeakPolarHBondContact O-CB 3.47Å; A58-E62 PolarHBondContact O-N 3.26Å
59S75Confident75.7Confident68 Ų6889.9 Ų89.948%0.47649%0.492SS..Hα-helixtrans-63.9-38.7175.7-62.60000112.8S55 A56 E62 G63S55-S59 PolarHBondContact O-N 2.86Å; S55-S59 PolarHBondContact O-OG 3.28Å; A56-S59 PolarHBondContact O-N 3.4Å; S59-E62 PolarHBondContact O-N 2.79Å; S59-G63 PolarHBondContact O-N 2.91Å
60A76.1Confident73.9Confident38 Ų3892.7 Ų92.731%0.31451%0.509SS..Hα-helixtrans-64.1-41.217500000111.7A56 M57 A58 G63 R64A56-A60 WeakPolarHBondContact O-CB 3.27Å; A56-A60 PolarHBondContact O-N 2.88Å; M57-A60 PolarHBondContact O-N 3.27Å; A58-A60 PolarHBondContact O-N 3.49Å; A60-G63 PolarHBondContact O-N 3.32Å; A60-R64 WeakPolarHBondContact O-CG 3.3Å; A60-R64 PolarHBondContact O-N 3.1Å
61L78.1Confident72.2Confident110 Ų11093.3 Ų93.358%0.57652%0.523SS*.Hα-helixtrans-65.6-40.8175.2-71.9172.4000112.1M57 A58 R64 L65M57-L61 WeakPolarHBondContact O-CG 3.36Å; M57-L61 PolarHBondContact O-N 3.17Å; A58-L61 PolarHBondContact O-N 3.31Å; L61-R64 PolarHBondContact O-N 3.26Å; L61-L65 WeakPolarHBondContact O-CB 3.42Å; L61-L65 PolarHBondContact O-N 2.94Å
62E80.5Confident70Confident120 Ų12099 Ų9956%0.56154%0.537SS*.Hα-helixtrans-62.5-43.8175.1-174.7174.6-164.700111.6A58 S59 R64 L65 N66A58-E62 WeakPolarHBondContact O-CB 3.47Å; A58-E62 PolarHBondContact O-N 3.26Å; S59-E62 PolarHBondContact O-N 2.79Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.72Å; E62-L65 PolarHBondContact O-N 3.36Å; E62-N66 WeakPolarHBondContact O-CB 3.34Å; E62-N66 VanDerWaalsContact O-CG 3.32Å; E62-N66 PolarHBondContact O-N 3.34Å; E62-N66 PolarHBondContact O-ND2 2.85Å
63G75.9Confident67.9Low31 Ų31103 Ų10332%0.3255%0.55SS.*Hα-helixtrans-59.5-42.3174.200000112.6S59 A60 N66 N67S59-G63 PolarHBondContact O-N 2.91Å; A60-G63 PolarHBondContact O-N 3.32Å; G63-N66 PolarHBondContact O-N 3.21Å; G63-N67 WeakPolarHBondContact O-CB 3.39Å; G63-N67 PolarHBondContact O-N 3.44Å
64R73.8Confident65.8Low165 Ų165109.1 Ų109.162%0.62358%0.577SS**Hα-helixtrans-63.6-45.8175-72.817767.1-178.82111.9A60 L61 E62 N66 N67 D68A60-R64 WeakPolarHBondContact O-CG 3.3Å; A60-R64 PolarHBondContact O-N 3.1Å; L61-R64 PolarHBondContact O-N 3.26Å; E62-R64 VanDerWaalsContact C-N 3.33Å; E62-R64 PolarHBondContact O-N 2.72Å; R64-N66 VanDerWaalsContact C-N 3.31Å; R64-N66 PolarHBondContact O-N 3.46Å; R64-N67 PolarHBondContact O-N 3.03Å; R64-D68 WeakPolarHBondContact O-CB 3.25Å; R64-D68 PolarHBondContact O-N 3.47Å
65L73.2Confident63.6Low108 Ų108109.3 Ų109.357%0.56559%0.585SS**Hα-helixtrans-59.3-44178.5-168.192.9000111.4L61 E62 D68 Q69L61-L65 WeakPolarHBondContact O-CB 3.42Å; L61-L65 PolarHBondContact O-N 2.94Å; E62-L65 PolarHBondContact O-N 3.36Å; L65-D68 PolarHBondContact O-N 2.89Å; L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.33Å; L65-Q69 VanDerWaalsContact O-N 3.12Å
66N69.7Low61.4Low82 Ų82115.3 Ų115.344%0.43961%0.606SS.*Hα-helixtrans-67.1-39.8180-71.3-24.2000112E62 G63 R64 Q69 V70E62-N66 WeakPolarHBondContact O-CB 3.34Å; E62-N66 VanDerWaalsContact O-CG 3.32Å; E62-N66 PolarHBondContact O-N 3.34Å; E62-N66 PolarHBondContact O-ND2 2.85Å; G63-N66 PolarHBondContact O-N 3.21Å; R64-N66 VanDerWaalsContact C-N 3.31Å; R64-N66 PolarHBondContact O-N 3.46Å; N66-Q69 PolarHBondContact O-N 2.94Å; N66-V70 WeakPolarHBondContact O-CG2 3.1Å; N66-V70 PolarHBondContact O-N 3.23Å
67N63.9Low59.4Low118 Ų118120 Ų12063%0.63162%0.621SS**Hα-helixtrans-68-37.4176.1-72.9-12.5000112.4G63 R64 Q69 V70 S71G63-N67 WeakPolarHBondContact O-CB 3.39Å; G63-N67 PolarHBondContact O-N 3.44Å; R64-N67 PolarHBondContact O-N 3.03Å; N67-Q69 VanDerWaalsContact C-N 3.3Å; N67-Q69 PolarHBondContact O-N 2.89Å; N67-V70 PolarHBondContact O-N 3.14Å; N67-S71 PolarHBondContact O-N 3.37Å; N67-S71 VanDerWaalsContact O-N 3.1Å
68D57.4Low57.1Low125 Ų125124.3 Ų124.367%0.66864%0.637SS**Hα-helixtrans-66.3-33177-126.212.9000112R64 L65 R72R64-D68 WeakPolarHBondContact O-CB 3.25Å; R64-D68 PolarHBondContact O-N 3.47Å; L65-D68 PolarHBondContact O-N 2.89Å; D68-R72 PolarHBondContact O-N 3.42Å
69Q50.2Low54.9Low130 Ų130127.2 Ų127.261%0.60765%0.654SS**Hα-helixtrans-72.8-29.4173.9-70.5-148.46.900113.6L65 N66 N67L65-Q69 WeakPolarHBondContact O-CG 3.37Å; L65-Q69 PolarHBondContact O-N 3.33Å; L65-Q69 VanDerWaalsContact O-N 3.12Å; N66-Q69 PolarHBondContact O-N 2.94Å; N67-Q69 VanDerWaalsContact C-N 3.3Å; N67-Q69 PolarHBondContact O-N 2.89Å
70V46.9Very low52.9Low112 Ų112128.6 Ų128.668%0.67966%0.664SS**Hα-helixtrans-72.2-37.2174.5175.70000110.6N66 N67 R72 K73N66-V70 WeakPolarHBondContact O-CG2 3.1Å; N66-V70 PolarHBondContact O-N 3.23Å; N67-V70 PolarHBondContact O-N 3.14Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.35Å; V70-K73 PolarHBondContact O-N 2.99Å
71S47.8Very low50.9Low93 Ų93134.9 Ų134.965%0.6569%0.69SS**Hα-helixtrans-70.9-22.3178.1-147.90000113.5N67 K73N67-S71 PolarHBondContact O-N 3.37Å; N67-S71 VanDerWaalsContact O-N 3.1Å; S71-K73 VanDerWaalsContact C-N 3.29Å; S71-K73 PolarHBondContact O-N 3.5Å
72R41.1Very low48.7Very low231 Ų231138 Ų13887%0.87270%0.702SS**THydrogen-bonded Turntrans-83.83.7178.6-128.5174.4-175.8164.91.5114.8D68 V70D68-R72 PolarHBondContact O-N 3.42Å; V70-R72 VanDerWaalsContact C-N 3.28Å; V70-R72 PolarHBondContact O-N 3.35Å
73K40.3Very low46.8Very low178 Ų178137.3 Ų137.377%0.77471%0.71SS**THydrogen-bonded Turntrans-112.234.2175.4-69.2-169.2-179.7-179.80113.6V70 S71 P75V70-K73 PolarHBondContact O-N 2.99Å; S71-K73 VanDerWaalsContact C-N 3.29Å; S71-K73 PolarHBondContact O-N 3.5Å; K73-P75 VanDerWaalsContact O-CD 3.31Å; K73-P75 WeakPolarHBondContact O-CD 3.48Å
74Q32.2Very low44.5Very low181 Ų181143.7 Ų143.785%0.84674%0.737SS**  trans-79.7116161.2-86.7-157.5-39.100110.2
75P37.6Very low42.5Very low109 Ų109140 Ų14071%0.70874%0.742SS**  trans-76.1150.6176.332.9-31.6000110.4K73 L77K73-P75 VanDerWaalsContact O-CD 3.31Å; K73-P75 WeakPolarHBondContact O-CD 3.48Å; P75-L77 PolarHBondContact O-N 3.39Å
76E34.2Very low40.3Very low195 Ų195138.8 Ų138.891%0.91175%0.747SS**  trans-30.7114.1171-63177.6139.900114
77L35.3Very low38.4Very low161 Ų161143 Ų14384%0.84377%0.769SS**  trans-127.299.7159.6-90.1162.4000109.3P75 S79P75-L77 PolarHBondContact O-N 3.39Å; L77-S79 PolarHBondContact O-N 2.93Å; L77-S79 VanDerWaalsContact O-N 3.13Å
78K31.5Very low37Very low205 Ų205141.7 Ų141.789%0.89177%0.774SS**  trans-27.8107.6158.7-64.7167.6176.11750111.5
79S32.2Very low35.7Very low112 Ų112144.4 Ų144.478%0.78379%0.788SS**  trans-100.595.5153.147.80000107.4L77 I81L77-S79 PolarHBondContact O-N 2.93Å; L77-S79 VanDerWaalsContact O-N 3.13Å; S79-I81 PolarHBondContact O-N 2.94Å
80S34.1Very low34.8Very low97 Ų97141.6 Ų141.668%0.67879%0.794SS**  trans-54.1122.3159.9-168.90000107.3E82S80-E82 VanDerWaalsContact C-N 3.25Å; S80-E82 PolarHBondContact O-N 3.47Å
81I33.3Very low33.9Very low169 Ų169143.6 Ų143.687%0.86780%0.8SS**  trans-63.692.3167.2-65.7161.7000105.8S79S79-I81 PolarHBondContact O-N 2.94Å
82E31.6Very low33Very low176 Ų176147 Ų14782%0.82281%0.811SS**  trans-101.1110.5159.1-79.6-171.1167.800107.7S80S80-E82 VanDerWaalsContact C-N 3.25Å; S80-E82 PolarHBondContact O-N 3.47Å
83S40.7Very low32.6Very low106 Ų106140.4 Ų140.474%0.74181%0.806SS**  trans-52.7129.5176.142.20000112.3A85S83-A85 PolarHBondContact O-N 3.37Å
84D27.5Very low32.1Very low165 Ų165138.6 Ų138.688%0.88281%0.811SS**  trans-41110.3163.5-159.72000112.3
85A31Very low32.1Very low88 Ų88136.4 Ų136.473%0.72781%0.81SS**  trans-149.484.4165.200000109.4S83S83-A85 PolarHBondContact O-N 3.37Å
86A28.9Very low31.7Very low81 Ų81136.1 Ų136.167%0.66981%0.81SS**  trans56.6123.213300000119.1
87L29.5Very low31.7Very low172 Ų172131.5 Ų131.590%0.90181%0.805SS**  trans114.8135.8142.4-57.7173.8000116.9
88A34.1Very low31.4Very low89 Ų89131.3 Ų131.374%0.73680%0.804SS**  trans88.499.2160.100000116.5
89L30.4Very low31.4Very low182 Ų182124.5 Ų124.595%0.95379%0.792SS**  91.7120.282.4-12685000112
90G30.3Very low31.3Very low71 Ų71126.1 Ų126.173%0.73279%0.792SS**  trans123.379.8149.200000118.7
91N28.6Very low31.4Very low154 Ų154126.7 Ų126.782%0.82480%0.796SS**  trans24129135.7-55.6-11.2000122.1
92N29.3Very low31.5Very low164 Ų164125.5 Ų125.588%0.87779%0.79SS**  trans62.6105.3143.3-73.43.9000120.6
93A31.3Very low31.9Very low93 Ų93121.1 Ų121.177%0.76978%0.779SS**  trans-160.5127.7130.700000111.5
94T29.5Very low31.5Very low141 Ų141122.8 Ų122.887%0.86578%0.775SS**  trans-32.8124.8165.438.90000116.1
95T33.4Very low31.9Very low135 Ų135120.9 Ų120.983%0.82876%0.764SS**  trans-139.9112.1155.754.70000110.7A97T95-A97 PolarHBondContact O-N 2.94Å
96S28.1Very low32.5Very low102 Ų102123.6 Ų123.671%0.71376%0.756SS**  trans-13.6107.3157.7-173.20000115.7I98S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 3.01Å; S96-I98 VanDerWaalsContact O-N 3.13Å
97A35.1Very low32.9Very low98 Ų98126.3 Ų126.381%0.8177%0.767SS**  trans-77.691.1159.700000108.2T95T95-A97 PolarHBondContact O-N 2.94Å
98I29.7Very low33.5Very low157 Ų157124.1 Ų124.181%0.80576%0.756SS**  trans-69.9119.1160.2-67166.7000106.3S96S96-I98 VanDerWaalsContact C-N 3.35Å; S96-I98 PolarHBondContact O-N 3.01Å; S96-I98 VanDerWaalsContact O-N 3.13Å
99G30.3Very low33.5Very low62 Ų62122.5 Ų122.564%0.63975%0.748SS**  trans9452.7146.900000118.9S101G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.32Å
100D30Very low33.6Very low147 Ų147116.8 Ų116.879%0.78672%0.723SS**  trans-8669154-80.6-24.4000109.8L102D100-L102 VanDerWaalsContact C-N 3.28Å
101S36.7Very low34Very low109 Ų109118.9 Ų118.976%0.76272%0.717SS**  trans-97.566.5155.6-85.30000107.8G99 S103G99-S101 VanDerWaalsContact C-N 3.27Å; G99-S101 PolarHBondContact O-N 3.32Å; S101-S103 PolarHBondContact O-N 2.99Å; S101-S103 VanDerWaalsContact O-N 3.15Å
102L35.1Very low34.3Very low143 Ų143112.9 Ų112.975%0.74969%0.692SS**  trans-62.8111.2162.2-84.1161.3000106.7D100 E104D100-L102 VanDerWaalsContact C-N 3.28Å; L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.37Å
103S39.5Very low34.5Very low85 Ų85109.5 Ų109.559%0.59468%0.677SS**  trans-58.798.7163.6-56.90000107.1S101 L105S101-S103 PolarHBondContact O-N 2.99Å; S101-S103 VanDerWaalsContact O-N 3.15Å; S103-L105 PolarHBondContact O-N 3.47Å
104E33Very low34.6Very low141 Ų141113.5 Ų113.566%0.65968%0.679SS**  trans-64.3106.3168.2-75.5-170.8158.800107L102 W106L102-E104 VanDerWaalsContact C-N 3.29Å; L102-E104 PolarHBondContact O-N 3.37Å; E104-W106 VanDerWaalsContact O-CD1 3.32Å; E104-W106 PolarHBondContact O-N 2.83Å; E104-W106 VanDerWaalsContact O-N 3.13Å
105L35.7Very low35Very low124 Ų124113.6 Ų113.665%0.64967%0.665SS**BIsolated β-bridgetrans-65.4106.5164.1-174.373.6000105.8S103S103-L105 PolarHBondContact O-N 3.47Å
106W44.2Very low34.8Very low145 Ų145116.3 Ų116.355%0.54967%0.668SS.*  trans-62.4149.9176.4-72.178.9000108.9E104 D108 G109 S110E104-W106 VanDerWaalsContact O-CD1 3.32Å; E104-W106 PolarHBondContact O-N 2.83Å; E104-W106 VanDerWaalsContact O-N 3.13Å; W106-D108 WeakPolarHBondContact CB-OD1 3.31Å; W106-D108 PolarHBondContact O-N 3.23Å; W106-G109 PolarHBondContact O-N 2.9Å; W106-S110 PolarHBondContact N-O 3.42Å
107P37.8Very low34.7Very low139 Ų139114.2 Ų114.290%0.90366%0.663SS**THydrogen-bonded Turntrans-59.6-9.2-175.6-22.832.3000115.1
108D42.6Very low34.3Very low125 Ų125118.4 Ų118.467%0.66866%0.663SS**THydrogen-bonded Turntrans-92.10.1176.365.4-5.7000113.8W106 S110W106-D108 WeakPolarHBondContact CB-OD1 3.31Å; W106-D108 PolarHBondContact O-N 3.23Å; D108-S110 VanDerWaalsContact C-N 3.32Å; D108-S110 WeakPolarHBondContact OD1-CB 3.35Å; D108-S110 PolarHBondContact OD1-N 2.93Å
109G33.6Very low34.6Very low55 Ų55116.8 Ų116.857%0.56766%0.663SS**SBendtrans80.39.8-177.200000114.3W106W106-G109 PolarHBondContact O-N 2.9Å
110S32.6Very low34.7Very low62 Ų62120.1 Ų120.143%0.43467%0.671SS.*  trans-79127174.3-166.80000111.2W106 D108 G112W106-S110 PolarHBondContact N-O 3.42Å; D108-S110 VanDerWaalsContact C-N 3.32Å; D108-S110 WeakPolarHBondContact OD1-CB 3.35Å; D108-S110 PolarHBondContact OD1-N 2.93Å; S110-G112 PolarHBondContact O-N 3.42Å
111L37.9Very low34.8Very low115 Ų115116 Ų11660%0.60266%0.656SS**BIsolated β-bridgetrans-7799.2169.8-101.2137.1000108.2V113L111-V113 VanDerWaalsContact C-N 3.31Å; L111-V113 HydrophobicContact CB-CG2 4.47Å; L111-V113 WeakPolarHBondContact O-CG2 3.49Å; L111-V113 PolarHBondContact O-N 3.45Å
112G34.1Very low34.7Very low29 Ų29115.5 Ų115.530%0.29966%0.659SS.*  trans-67.390.8167.800000109.5S110 H114S110-G112 PolarHBondContact O-N 3.42Å; G112-H114 PolarHBondContact O-N 2.86Å; G112-H114 VanDerWaalsContact O-N 3.11Å
113V34.3Very low34.8Very low93 Ų93112.8 Ų112.856%0.56465%0.645SS**  trans-80.594.9174.8-153.30000108.1L111 Y115L111-V113 VanDerWaalsContact C-N 3.31Å; L111-V113 HydrophobicContact CB-CG2 4.47Å; L111-V113 WeakPolarHBondContact O-CG2 3.49Å; L111-V113 PolarHBondContact O-N 3.45Å; V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 HydrophobicContact CB-CD2 4.13Å; V113-Y115 HydrophobicContact CB-CE2 4.31Å; V113-Y115 HydrophobicContact CG1-CD2 3.38Å; V113-Y115 HydrophobicContact CG1-CE2 3.24Å; V113-Y115 HydrophobicContact CG1-CG 4.43Å; V113-Y115 PolarHBondContact O-N 3.47Å
114H32.8Very low34.5Very low177 Ų177115.6 Ų115.682%0.81965%0.653SS**  trans-75.283.2173.9-147.1-69.3000108.7G112G112-H114 PolarHBondContact O-N 2.86Å; G112-H114 VanDerWaalsContact O-N 3.11Å
115Y38.9Very low34.6Very low142 Ų142113.5 Ų113.556%0.55764%0.643SS**  trans-87.2110.3167.9-86.4-73.2000109.1V113 G117V113-Y115 VanDerWaalsContact C-N 3.3Å; V113-Y115 HydrophobicContact CB-CD2 4.13Å; V113-Y115 HydrophobicContact CB-CE2 4.31Å; V113-Y115 HydrophobicContact CG1-CD2 3.38Å; V113-Y115 HydrophobicContact CG1-CE2 3.24Å; V113-Y115 HydrophobicContact CG1-CG 4.43Å; V113-Y115 PolarHBondContact O-N 3.47Å; Y115-G117 PolarHBondContact O-N 3.26Å
116E28.4Very low34.2Very low192 Ų192117.4 Ų117.490%0.89765%0.649SS**THydrogen-bonded Turntrans-56.7108.7154-86.4-170.7144.900107.8
117G27.3Very low33.7Very low59 Ų59116.6 Ų116.661%0.60865%0.654SS**THydrogen-bonded Turntrans126.1-5153.200000120Y115Y115-G117 PolarHBondContact O-N 3.26Å
118F26Very low33.2Very low185 Ų185116.9 Ų116.981%0.81164%0.644SS**  trans-145.1124176.5-81.8-87.1000113.4V120F118-V120 PolarHBondContact O-N 2.99Å
119P36Very low32.7Very low124 Ų124117.2 Ų117.281%0.80565%0.645SS**  trans-72.3111.1173.928.3-30.6000109.8A121P119-A121 PolarHBondContact O-N 3.5Å
120V31.7Very low32.7Very low132 Ų132122.1 Ų122.180%0.866%0.659SS**  trans-71.3102.6164.61770000107.2F118 A122F118-V120 PolarHBondContact O-N 2.99Å; V120-A122 PolarHBondContact O-N 2.84Å
121A32.4Very low32.4Very low59 Ų59125.8 Ų125.849%0.48868%0.678SS.*  trans-75.5108.517300000109.4P119 I123P119-A121 PolarHBondContact O-N 3.5Å; A121-I123 PolarHBondContact O-N 2.77Å
122A35.4Very low32.2Very low100 Ų100127 Ų12783%0.82669%0.69SS**  trans-66.3118.516800000109.2V120V120-A122 PolarHBondContact O-N 2.84Å
123I37Very low31.9Very low86 Ų86133.2 Ų133.244%0.44172%0.716SS.*  trans-103.8103177.8-61.7172.2000107.9V49 A121V49-I123 HydrophobicContact CB-CD1 4.41Å; V49-I123 HydrophobicContact CG1-CD1 3.54Å; A121-I123 PolarHBondContact O-N 2.77Å
124D33.1Very low31.5Very low143 Ų143131.9 Ų131.977%0.76572%0.722SS**  trans-88124.4162.2-165.28.4000108.3
125Q34.1Very low31.2Very low97 Ų97129 Ų12945%0.45373%0.729SS.*  trans-118.480.8-178.2-162176.429.900108.9I127Q125-I127 HydrophobicContact CG-CD1 4.09Å; Q125-I127 HydrophobicContact CG-CG1 4.03Å; Q125-I127 PolarHBondContact O-N 3.41Å
126R27Very low30.7Very low207 Ų207126 Ų12678%0.78173%0.733SS**  trans-80.990.3159.5-78.5-174.7172.7-124.80.5109.1E128R126-E128 VanDerWaalsContact C-N 3.33Å; R126-E128 PolarHBondContact O-N 3.16Å
127I34.4Very low30.8Very low127 Ų127126.4 Ų126.465%0.65173%0.732SS**  trans-88.586.2155.3-63.3170.8000105.7Q125Q125-I127 HydrophobicContact CG-CD1 4.09Å; Q125-I127 HydrophobicContact CG-CG1 4.03Å; Q125-I127 PolarHBondContact O-N 3.41Å
128E28.6Very low30.8Very low145 Ų145132.6 Ų132.668%0.67875%0.745SS**  trans-77.4128.7164.6-163.9165.6-165.400107.3R126R126-E128 VanDerWaalsContact C-N 3.33Å; R126-E128 PolarHBondContact O-N 3.16Å
129N30.3Very low31.2Very low132 Ų132129.4 Ų129.471%0.70674%0.743SS**  trans81.278.2177.6-49-36.4000116.7
130N33.6Very low30.7Very low159 Ų159129.7 Ų129.785%0.8575%0.747SS**  -166.1126.8114.6-94.9-26.1000112.1V132N130-V132 PolarHBondContact O-N 3.34Å
131V27.9Very low30.4Very low138 Ų138133.8 Ų133.884%0.83675%0.753SS**  trans-52.8111.3178.9178.50000111.4
132V33.7Very low30.2Very low141 Ų141134.2 Ų134.286%0.85576%0.764SS**  trans-139117.7145.5179.60000107.9N130N130-V132 PolarHBondContact O-N 3.34Å
133D26.5Very low29.9Very low159 Ų159138.4 Ų138.485%0.8577%0.766SS**  trans-34.9145.6175.7-98-44.8000117.5
134G26.5Very low29.5Very low66 Ų66141.2 Ų141.268%0.6879%0.787SS**  108.382.8127.300000118.5A136G134-A136 PolarHBondContact O-N 3.44Å
135A26.9Very low29.2Very low117 Ų117142.7 Ų142.797%0.96779%0.794SS**  trans71.327138.400000121
136A28.8Very low29Very low77 Ų77142.5 Ų142.564%0.63681%0.809SS**  trans-123.6133.1161.600000109.6G134G134-A136 PolarHBondContact O-N 3.44Å
137F29.8Very low29.1Very low202 Ų202144.8 Ų144.889%0.88682%0.818SS**  trans83.575.1-174.6-48.8-74.3000115.5P139F137-P139 WeakPolarHBondContact O-CD 3.05Å
138Q26.3Very low28.8Very low189 Ų189143.3 Ų143.388%0.88382%0.819SS**PPolyproline II helixtrans-68.2123.3151.2-100.1179.2-20.700108.9C140Q138-C140 PolarHBondContact O-N 2.98Å
139P35Very low28.7Very low118 Ų118143 Ų14377%0.76682%0.822SS**PPolyproline II helixtrans-68.7128.1164.226.1-29.3000109F137 K141F137-P139 WeakPolarHBondContact O-CD 3.05Å; P139-K141 PolarHBondContact O-N 3.35Å
140C26.1Very low28.6Very low130 Ų130143.8 Ų143.888%0.87883%0.831SS**PPolyproline II helixtrans-56.3122.9171.2-66.30000109Q138 G142Q138-C140 PolarHBondContact O-N 2.98Å; C140-G142 VanDerWaalsContact C-N 3.29Å; C140-G142 PolarHBondContact O-N 2.97Å
141K25.6Very low28.3Very low217 Ų217141.7 Ų141.794%0.94382%0.824SS**  trans-65.990.5167.7-74.2178.8175.9178.20108.3P139P139-K141 PolarHBondContact O-N 3.35Å
142G27.6Very low28.2Very low68 Ų68142.8 Ų142.870%0.70182%0.82SS**  trans-108.813516600000108.9C140C140-G142 VanDerWaalsContact C-N 3.29Å; C140-G142 PolarHBondContact O-N 2.97Å
143E28.1Very low27.8Very low189 Ų189140.1 Ų140.188%0.88380%0.804SS**  trans-65.4149.3-164-67.1166140.800114.7L145E143-L145 PolarHBondContact O-N 3.24Å
144T28.6Very low27.8Very low144 Ų144139.1 Ų139.188%0.88380%0.798SS**  trans-37.9117.6172.1-190000114.1
145L28.6Very low27.9Very low174 Ų174145.7 Ų145.791%0.91180%0.804SS**  trans-135.3145.2158-103.4131.6000110.3E143E143-L145 PolarHBondContact O-N 3.24Å
146A29.4Very low27.9Very low93 Ų93146.4 Ų146.477%0.76980%0.796SS**  trans-65.2148.2-147.100000116.3S148A146-S148 PolarHBondContact O-N 3.49Å; A146-S148 VanDerWaalsContact O-N 3.16Å
147R28.9Very low28.1Very low256 Ų256149.2 Ų149.297%0.96680%0.799SS**  trans-45.9111.5159.9-83.4172154.6161.5-7.5110.8
148S27.3Very low28Very low96 Ų96144.7 Ų144.767%0.67179%0.792SS**  trans-150.3126.9150.1-153.50000108.4A146A146-S148 PolarHBondContact O-N 3.49Å; A146-S148 VanDerWaalsContact O-N 3.16Å
149D27.5Very low28.2Very low137 Ų137141.3 Ų141.373%0.73378%0.784SS**  trans66.881.2161.5-47-43.4000117.6V151D149-V151 PolarHBondContact O-N 2.91Å
150V27.4Very low27.8Very low149 Ų149143.3 Ų143.390%0.90379%0.788SS**  trans-67.895.5156.4178.90000107.7
151V26.7Very low27.9Very low115 Ų115142.1 Ų142.170%0.69778%0.781SS**  trans-90.9102.1164.4-177.20000107.4D149 V153D149-V151 PolarHBondContact O-N 2.91Å; V151-V153 HydrophobicContact CG1-CG2 3.76Å; V151-V153 PolarHBondContact O-N 3.13Å; V151-V153 VanDerWaalsContact O-N 3.17Å
152E26Very low28.1Very low161 Ų161138.6 Ų138.675%0.75278%0.778SS**  trans-74.695.9176.6-163.2178.1-154.400109
153V25.8Very low28Very low86 Ų86138.1 Ų138.152%0.52177%0.772SS.*  trans-97.494.2176.1-164.80000109.7V151 Y155V151-V153 HydrophobicContact CG1-CG2 3.76Å; V151-V153 PolarHBondContact O-N 3.13Å; V151-V153 VanDerWaalsContact O-N 3.17Å; V153-Y155 HydrophobicContact CB-CD2 4.43Å; V153-Y155 HydrophobicContact CB-CE2 4.08Å; V153-Y155 HydrophobicContact CG1-CD2 3.64Å; V153-Y155 HydrophobicContact CG1-CE1 4.43Å; V153-Y155 HydrophobicContact CG1-CE2 3.13Å; V153-Y155 HydrophobicContact CG1-CG 4.48Å; V153-Y155 PolarHBondContact O-N 3.2Å
154N26Very low28Very low137 Ų137140 Ų14073%0.73377%0.771SS**  trans-75.4113.1169.8-79.9-53.3000109.8
155Y29.8Very low28Very low204 Ų204142.9 Ų142.980%0.877%0.772SS**  trans-103130171.3-79.3-75.9000111.6V153V153-Y155 HydrophobicContact CB-CD2 4.43Å; V153-Y155 HydrophobicContact CB-CE2 4.08Å; V153-Y155 HydrophobicContact CG1-CD2 3.64Å; V153-Y155 HydrophobicContact CG1-CE1 4.43Å; V153-Y155 HydrophobicContact CG1-CE2 3.13Å; V153-Y155 HydrophobicContact CG1-CG 4.48Å; V153-Y155 PolarHBondContact O-N 3.2Å
156V27.5Very low28Very low133 Ų133142.9 Ų142.981%0.80677%0.771SS**  trans-82.5121.4172.3176.30000108.7S158V156-S158 PolarHBondContact O-N 3.35Å
157I32.9Very low28.3Very low136 Ų136151.4 Ų151.470%0.69780%0.795SS**  trans-80.2109.3171.5-62.7174000108.4V159I157-V159 HydrophobicContact CG2-CG2 4.19Å; I157-V159 PolarHBondContact O-N 2.83Å
158S26.1Very low28.3Very low106 Ų106146.2 Ų146.274%0.74179%0.786SS**  trans-72.4100.8162.4-65.80000108.5V156 L160V156-S158 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact O-N 3.49Å
159V30.4Very low28.3Very low118 Ų118148.8 Ų148.872%0.71579%0.793SS**  trans-68.998.4169.2-177.10000107.6I157 S161I157-V159 HydrophobicContact CG2-CG2 4.19Å; I157-V159 PolarHBondContact O-N 2.83Å; V159-S161 PolarHBondContact O-N 3.13Å
160L28.1Very low28.4Very low160 Ų160149.5 Ų149.584%0.83880%0.796SS**  trans-66.7104163.4-86.6162.2000107.4S158 V162S158-L160 PolarHBondContact O-N 3.49Å; L160-V162 PolarHBondContact O-N 3.36Å
161S28Very low28.4Very low105 Ų105149.5 Ų149.573%0.73479%0.79SS**  trans-32.1107.4166.7168.40000112.1V159 G163V159-S161 PolarHBondContact O-N 3.13Å; S161-G163 PolarHBondContact O-N 3.48Å
162V28.8Very low28.5Very low144 Ų144151.7 Ų151.787%0.87380%0.795SS**  trans-70.980.8161.7-177.30000107.1L160L160-V162 PolarHBondContact O-N 3.36Å
163G26.6Very low28.7Very low57 Ų57151.1 Ų151.159%0.58880%0.798SS**  trans-121.256.4177.100000110.5S161S161-G163 PolarHBondContact O-N 3.48Å
164R27.7Very low28.9Very low229 Ų229155.7 Ų155.786%0.86482%0.818SS**  trans-157.275.3166.4-84.4-153.9172.8159.5-1.8111.2
165F28.6Very low29.1Very low204 Ų204157.2 Ų157.290%0.89583%0.825SS**SBendtrans-157.588.8150.7-95.2-76.8000106.1
166I29.3Very low29.1Very low175 Ų175153.3 Ų153.390%0.89783%0.827SS**  trans170.890.8150.8-77.7145.5000103.9
167E35Very low29.2Very low272 Ų272155.1 Ų155.1100%1.27183%0.829SS**  trans-168.40143.9-110.2-177.5-179.600108.6

Retrieved 167 of 167 residues in 154.2 ms (Link to these results)