G4LVW1_SCHMA Loading...

Chromatin modification-related protein MEAF6

AlphaFold DB , UniProt , Accession G4LVW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 176 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.5Low64.9Low243 Ų243137.1 Ų137.1100%1.19768%0.68SS**  01290-75.5-159.3134.500108.8
2R54.9Low66.2Low226 Ų226135.3 Ų135.385%0.85367%0.674SS**  trans-88.7116.5-177.1-153.6175.9-179-1421.3108Q4R2-Q4 PolarHBondContact O-N 3.17Å
3P60.8Low67.5Low113 Ų113132.8 Ų132.873%0.73466%0.664SS**  trans-65.6118176.924.4-30.2000109.1I5P3-I5 PolarHBondContact O-N 3.27Å
4Q59.8Low69.1Low171 Ų171129.6 Ų129.680%0.79965%0.649SS**  trans-74.7105.3171.2-68.2-72.5-6.300107.3R2 N6R2-Q4 PolarHBondContact O-N 3.17Å; Q4-N6 PolarHBondContact O-N 3.22Å
5I63.8Low70.5Confident126 Ų126128.7 Ų128.765%0.64664%0.639SS**  trans-65.5117.9174-64.3166.7000107.1P3 H7P3-I5 PolarHBondContact O-N 3.27Å; I5-H7 VanDerWaalsContact C-N 3.26Å; I5-H7 PolarHBondContact O-CD2 2.86Å; I5-H7 VanDerWaalsContact O-CD2 3.27Å; I5-H7 PolarHBondContact O-N 3.27Å
6N62.5Low71.8Confident103 Ų103123.8 Ų123.855%0.55162%0.621SS**  trans-77.173-174.4-169.4-0000111.1Q4 K8 S9 N10Q4-N6 PolarHBondContact O-N 3.22Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 VanDerWaalsContact O-N 3.1Å; N6-S9 WeakPolarHBondContact CB-OG 3.45Å; N6-S9 PolarHBondContact ND2-OG 3.07Å; N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.1Å; N6-S9 PolarHBondContact OD1-N 3.3Å; N6-N10 PolarHBondContact O-N 3.47Å
7H63.6Low72.9Confident133 Ų133123.2 Ų123.262%0.61662%0.616SS**Hα-helixtrans-54.2-29.7179.1-61.5-63.6000113.1I5 V11I5-H7 VanDerWaalsContact C-N 3.26Å; I5-H7 PolarHBondContact O-CD2 2.86Å; I5-H7 VanDerWaalsContact O-CD2 3.27Å; I5-H7 PolarHBondContact O-N 3.27Å; H7-V11 VanDerWaalsContact O-CG2 3.27Å; H7-V11 WeakPolarHBondContact O-CG2 3.27Å; H7-V11 PolarHBondContact O-N 3.5Å
8K65.5Low74Confident168 Ų168122.5 Ų122.573%0.7361%0.614SS**Hα-helixtrans-67-41.2178.1-65.9-176.6179.4-179.90112N6 V11 L12N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 VanDerWaalsContact O-N 3.1Å; K8-V11 PolarHBondContact O-N 3Å; K8-L12 VanDerWaalsContact O-CG 3.32Å; K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 2.98Å
9S70.7Confident75.1Confident60 Ų60123.6 Ų123.642%0.4262%0.615SS.*Hα-helixtrans-63.6-42177.362.10000112.3N6 L12 D13N6-S9 WeakPolarHBondContact CB-OG 3.45Å; N6-S9 PolarHBondContact ND2-OG 3.07Å; N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.1Å; N6-S9 PolarHBondContact OD1-N 3.3Å; S9-L12 PolarHBondContact O-N 3.48Å; S9-D13 WeakPolarHBondContact O-CB 3.19Å; S9-D13 PolarHBondContact O-N 3.41Å
10N77.9Confident76Confident95 Ų95122.4 Ų122.451%0.50861%0.611SS.*Hα-helixtrans-64.7-40.9176.6-177.5-90.6000112.1N6 L12 D13 I14N6-N10 PolarHBondContact O-N 3.47Å; N10-L12 PolarHBondContact O-N 3.39Å; N10-D13 PolarHBondContact O-N 2.96Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.49Å; N10-I14 PolarHBondContact O-N 3.34Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.32Å
11V78.8Confident76.9Confident70 Ų70121 Ų12142%0.42461%0.605SS.*Hα-helixtrans-66.6-36.7175.91720000112.2H7 K8 K15H7-V11 VanDerWaalsContact O-CG2 3.27Å; H7-V11 WeakPolarHBondContact O-CG2 3.27Å; H7-V11 PolarHBondContact O-N 3.5Å; K8-V11 PolarHBondContact O-N 3Å; V11-K15 HydrophobicContact CG1-CD 4.41Å; V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 3.21Å
12L80.4Confident78.8Confident116 Ų116114 Ų11461%0.60757%0.572SS**Hα-helixtrans-66.1-42.2175-70.8174.1000111.2K8 S9 N10 K15 S16K8-L12 VanDerWaalsContact O-CG 3.32Å; K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 2.98Å; S9-L12 PolarHBondContact O-N 3.48Å; N10-L12 PolarHBondContact O-N 3.39Å; L12-K15 WeakPolarHBondContact O-CB 3.32Å; L12-K15 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.36Å; L12-S16 VanDerWaalsContact O-OG 3.1Å
13D83.7Confident80.7Confident103 Ų103112.5 Ų112.555%0.55157%0.566SS**Hα-helixtrans-62-45.9177.4-162.621000111.9S9 N10 K15 S16 E17S9-D13 WeakPolarHBondContact O-CB 3.19Å; S9-D13 PolarHBondContact O-N 3.41Å; N10-D13 PolarHBondContact O-N 2.96Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.93Å; D13-S16 VanDerWaalsContact CA-OG 3.29Å; D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-OG 2.86Å; D13-E17 WeakPolarHBondContact O-CB 3.31Å; D13-E17 PolarHBondContact O-N 3.19Å
14I89.6Confident82.4Confident88 Ų88112.6 Ų112.645%0.45156%0.557SS.*Hα-helixtrans-60-39.1173.9-68.4165.1000111.4N10 L18N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.49Å; N10-I14 PolarHBondContact O-N 3.34Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.32Å; I14-L18 VanDerWaalsContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 PolarHBondContact O-N 3.07Å
15K90.6Very high84.1Confident115 Ų115111 Ų11150%0.554%0.543SS..Hα-helixtrans-67.6-43.6177.1-77.3177.5179.4-178.80111.4V11 L12 D13 L18 F19V11-K15 HydrophobicContact CG1-CD 4.41Å; V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 3.21Å; L12-K15 WeakPolarHBondContact O-CB 3.32Å; L12-K15 PolarHBondContact O-N 2.86Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.93Å; K15-L18 PolarHBondContact O-N 3.1Å; K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 PolarHBondContact O-N 2.76Å
16S90.7Very high85.6Confident51 Ų51112.4 Ų112.436%0.35755%0.545SS..Hα-helixtrans-61.4-46.1174.836.50000111.6L12 D13 L18 F19 D20L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.36Å; L12-S16 VanDerWaalsContact O-OG 3.1Å; D13-S16 VanDerWaalsContact CA-OG 3.29Å; D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-OG 2.86Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 2.98Å; S16-F19 PolarHBondContact O-N 3.1Å; S16-F19 VanDerWaalsContact O-N 3.1Å; S16-D20 PolarHBondContact O-N 3.37Å
17E90.7Very high87.1Confident113 Ų113110.5 Ų110.553%0.52854%0.54SS..Hα-helixtrans-58.1-43.9176.2-174.6-178.7-177.500111.2D13 F19 D20 L21D13-E17 WeakPolarHBondContact O-CB 3.31Å; D13-E17 PolarHBondContact O-N 3.19Å; E17-F19 PolarHBondContact O-N 3.29Å; E17-D20 PolarHBondContact O-N 3.45Å; E17-L21 HydrophobicContact CG-CD1 4.2Å; E17-L21 WeakPolarHBondContact O-CB 3.34Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.91Å
18L92.8Very high88.7Confident111 Ų111109.2 Ų109.258%0.58154%0.537SS*.Hα-helixtrans-60.7-43.2175.3178.763.6000112.4I14 K15 S16 L21 L22I14-L18 VanDerWaalsContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 PolarHBondContact O-N 3.07Å; K15-L18 PolarHBondContact O-N 3.1Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 PolarHBondContact O-N 2.91Å
19F94Very high90.1Very high144 Ų144105.3 Ų105.363%0.63253%0.527SS*.Hα-helixtrans-64.3-40.8177.2-80.8-64.3000111.8K15 S16 E17 L22 R23K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 PolarHBondContact O-N 2.76Å; S16-F19 PolarHBondContact O-N 3.1Å; S16-F19 VanDerWaalsContact O-N 3.1Å; E17-F19 PolarHBondContact O-N 3.29Å; F19-L22 PolarHBondContact O-N 3.43Å; F19-R23 WeakPolarHBondContact O-CB 3.5Å; F19-R23 PolarHBondContact O-N 3.46Å
20D93.2Very high91.2Very high99 Ų99109 Ų10953%0.52954%0.538SS..Hα-helixtrans-65.7-43.9176.6-73.5-26.3000111.5S16 E17 L22 R23 Q24S16-D20 PolarHBondContact O-N 3.37Å; E17-D20 PolarHBondContact O-N 3.45Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.77Å; D20-R23 WeakPolarHBondContact O-CB 3.03Å; D20-R23 PolarHBondContact O-N 3.13Å; D20-Q24 WeakPolarHBondContact O-CB 3.32Å; D20-Q24 PolarHBondContact O-N 3.47Å
21L95.3Very high92Very high92 Ų92108 Ų10848%0.48254%0.535SS..Hα-helixtrans-61-41.1173.9-73.4173.6000111.9E17 L18 Q24 R25E17-L21 HydrophobicContact CG-CD1 4.2Å; E17-L21 WeakPolarHBondContact O-CB 3.34Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-Q24 PolarHBondContact O-N 2.84Å; L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.35Å; L21-R25 PolarHBondContact O-N 3.37Å
22L95.4Very high92.8Very high97 Ų97108.6 Ų108.651%0.50854%0.536SS..Hα-helixtrans-66.5-40.4177.5-173.263.5000111.5L18 F19 D20 R25 K26L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 PolarHBondContact O-N 2.91Å; F19-L22 PolarHBondContact O-N 3.43Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.77Å; L22-R25 PolarHBondContact O-N 3.03Å; L22-K26 PolarHBondContact O-N 2.83Å
23R94.6Very high93.5Very high195 Ų195103.4 Ų103.474%0.73651%0.51SS*.Hα-helixtrans-63.4-45.1174.4-177.1-179.5179.8-173.40.2111.3F19 D20 K26 S27F19-R23 WeakPolarHBondContact O-CB 3.5Å; F19-R23 PolarHBondContact O-N 3.46Å; D20-R23 WeakPolarHBondContact O-CB 3.03Å; D20-R23 PolarHBondContact O-N 3.13Å; R23-K26 PolarHBondContact O-N 2.93Å; R23-S27 PolarHBondContact O-N 3.24Å
24Q96.3Very high94Very high115 Ų115100.5 Ų100.554%0.53750%0.5SS..Hα-helixtrans-62.7-45.2176.8-173179.7-2.400111.2D20 L21 K26 S27 L28D20-Q24 WeakPolarHBondContact O-CB 3.32Å; D20-Q24 PolarHBondContact O-N 3.47Å; L21-Q24 PolarHBondContact O-N 2.84Å; Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 2.98Å; Q24-S27 PolarHBondContact O-N 2.91Å; Q24-L28 HydrophobicContact CG-CD1 4.21Å; Q24-L28 WeakPolarHBondContact O-CG 3.49Å; Q24-L28 PolarHBondContact O-N 3.35Å
25R96.2Very high94.4Very high137 Ų137100.5 Ų100.552%0.51750%0.5SS..Hα-helixtrans-56.6-44174.5-179.1-174.3172.6-156.5-3.1111.6L21 L22 L28 T29L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.35Å; L21-R25 PolarHBondContact O-N 3.37Å; L22-R25 PolarHBondContact O-N 3.03Å; R25-L28 PolarHBondContact O-N 3.37Å; R25-T29 PolarHBondContact O-N 2.85Å; R25-T29 PolarHBondContact O-OG1 3.1Å
26K95.1Very high94.7Very high156 Ų15695.4 Ų95.468%0.67848%0.479SS*.Hα-helixtrans-61.6-48.7177.7-176.8177177.5178.30111.2L22 R23 Q24 L28 T29 E30L22-K26 PolarHBondContact O-N 2.83Å; R23-K26 PolarHBondContact O-N 2.93Å; Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 2.98Å; K26-L28 PolarHBondContact O-N 3.41Å; K26-T29 PolarHBondContact O-N 3.04Å; K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.08Å
27S94.8Very high94.9Very high63 Ų6395.7 Ų95.744%0.44147%0.472SS..Hα-helixtrans-59.3-45.2177.7174.50000112.2R23 Q24 T29 E30 T31R23-S27 PolarHBondContact O-N 3.24Å; Q24-S27 PolarHBondContact O-N 2.91Å; S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 3.43Å; S27-E30 PolarHBondContact O-N 3.26Å; S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.08Å; S27-T31 VanDerWaalsContact O-OG1 3.09Å
28L96.4Very high95.2Very high105 Ų10594.6 Ų94.655%0.5547%0.467SS..Hα-helixtrans-62.5-39.7177.7-72.2173.2000112.4Q24 R25 K26 E30 T31 L32Q24-L28 HydrophobicContact CG-CD1 4.21Å; Q24-L28 WeakPolarHBondContact O-CG 3.49Å; Q24-L28 PolarHBondContact O-N 3.35Å; R25-L28 PolarHBondContact O-N 3.37Å; K26-L28 PolarHBondContact O-N 3.41Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 3.02Å; L28-T31 PolarHBondContact O-N 3Å; L28-L32 VanDerWaalsContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 PolarHBondContact O-N 3.28Å
29T94.6Very high95.4Very high87 Ų8792.6 Ų92.653%0.53446%0.456SS..Hα-helixtrans-64.3-40.4177.9-53.50000111.2R25 K26 S27 G33R25-T29 PolarHBondContact O-N 2.85Å; R25-T29 PolarHBondContact O-OG1 3.1Å; K26-T29 PolarHBondContact O-N 3.04Å; S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 3.43Å; T29-G33 PolarHBondContact O-N 3.14Å
30E93.6Very high95.5Very high138 Ų13889 Ų8965%0.64544%0.438SS*.Hα-helixtrans-66.4-45.7176.2-176.5176.2-176.500112.1K26 S27 L28 L32 G33 A34K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.08Å; S27-E30 PolarHBondContact O-N 3.26Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 3.02Å; E30-L32 PolarHBondContact O-N 2.78Å; E30-G33 PolarHBondContact O-N 3.46Å; E30-A34 PolarHBondContact O-N 2.86Å
31T95.8Very high95.6Very high74 Ų7490.1 Ų90.145%0.45444%0.444SS..Hα-helixtrans-61-43.4175.3-56.50000111.5S27 L28 A34 L35S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.08Å; S27-T31 VanDerWaalsContact O-OG1 3.09Å; L28-T31 PolarHBondContact O-N 3Å; T31-A34 PolarHBondContact O-N 3.09Å; T31-L35 HydrophobicContact CG2-CD1 4.26Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.16Å
32L95.6Very high95.7Very high82 Ų8292 Ų9243%0.42945%0.448SS..Hα-helixtrans-58.9-50.4176.3178.163.7000111.2L28 E30 A34 L35 E36L28-L32 VanDerWaalsContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 PolarHBondContact O-N 3.28Å; E30-L32 PolarHBondContact O-N 2.78Å; L32-A34 VanDerWaalsContact C-N 3.25Å; L32-A34 PolarHBondContact O-N 2.82Å; L32-L35 PolarHBondContact O-N 2.84Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-E36 HydrophobicContact CD1-CG 4.18Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CG 3.4Å; L32-E36 PolarHBondContact O-N 2.89Å
33G94.7Very high95.8Very high6 Ų687.8 Ų87.86%0.06243%0.426CS..Hα-helixtrans-60-36.1178.300000112.7T29 E30 R37T29-G33 PolarHBondContact O-N 3.14Å; E30-G33 PolarHBondContact O-N 3.46Å; G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 VanDerWaalsContact O-CZ 3.24Å; G33-R37 PolarHBondContact O-N 3.5Å; G33-R37 PolarHBondContact O-NH1 3.27Å
34A94.9Very high95.8Very high43 Ų4379 Ų7936%0.35540%0.396SS..Hα-helixtrans-65.5-45.9174.600000112.6E30 T31 L32 R37 Q38E30-A34 PolarHBondContact O-N 2.86Å; T31-A34 PolarHBondContact O-N 3.09Å; L32-A34 VanDerWaalsContact C-N 3.25Å; L32-A34 PolarHBondContact O-N 2.82Å; A34-R37 PolarHBondContact O-N 2.61Å; A34-Q38 WeakPolarHBondContact O-CB 3.21Å; A34-Q38 PolarHBondContact O-N 2.93Å
35L97.1Very high95.8Very high87 Ų8776.5 Ų76.546%0.45539%0.391SS..Hα-helixtrans-63.1-43.6178-71.5173.7000112T31 L32 R37 Q38 I39T31-L35 HydrophobicContact CG2-CD1 4.26Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.16Å; L32-L35 PolarHBondContact O-N 2.84Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.29Å; L35-Q38 WeakPolarHBondContact O-CB 3.36Å; L35-Q38 PolarHBondContact O-N 2.86Å; L35-I39 WeakPolarHBondContact O-CG1 3.07Å; L35-I39 PolarHBondContact O-N 3.49Å
36E96Very high95.8Very high9 Ų973.9 Ų73.94%0.04238%0.382CS..Hα-helixtrans-61.5-42.3178.8-72179.1142.200112L32 I39 Y40 S103 T105 S106 S109L32-E36 HydrophobicContact CD1-CG 4.18Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CG 3.4Å; L32-E36 PolarHBondContact O-N 2.89Å; E36-I39 PolarHBondContact O-N 3.27Å; E36-Y40 WeakPolarHBondContact O-CB 3.37Å; E36-Y40 PolarHBondContact O-N 3.42Å; E36-S103 WeakPolarHBondContact OE1-CB 3.26Å; E36-S103 PolarHBondContact OE1-OG 3.26Å; E36-T105 WeakPolarHBondContact OE1-CB 3.48Å; E36-T105 PolarHBondContact OE1-OG1 3.24Å; E36-S106 PolarHBondContact OE1-N 2.95Å; E36-S109 WeakPolarHBondContact OE2-CB 3.34Å; E36-S109 PolarHBondContact OE2-OG 2.91Å
37R95.2Very high95.9Very high56 Ų5667 Ų6721%0.21135%0.353CS..Hα-helixtrans-62.6-43.6173.5-72.8-173.4-61.6-90.42.3111.8G33 A34 L35 Y40 L41 S109 Q113G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 VanDerWaalsContact O-CZ 3.24Å; G33-R37 PolarHBondContact O-N 3.5Å; G33-R37 PolarHBondContact O-NH1 3.27Å; A34-R37 PolarHBondContact O-N 2.61Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.29Å; R37-Y40 WeakPolarHBondContact O-CB 3.33Å; R37-Y40 PolarHBondContact O-N 3.27Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 2.53Å; R37-S109 PolarHBondContact NH1-O 3.27Å; R37-Q113 VanDerWaalsContact CD-CD 3.47Å
38Q97.1Very high95.8Very high91 Ų9168.4 Ų68.443%0.42536%0.355SS..Hα-helixtrans-62-44.5178.9-176.9177.55.200111.7A34 L35 Y40 L41 F42A34-Q38 WeakPolarHBondContact O-CB 3.21Å; A34-Q38 PolarHBondContact O-N 2.93Å; L35-Q38 WeakPolarHBondContact O-CB 3.36Å; L35-Q38 PolarHBondContact O-N 2.86Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.23Å; Q38-L41 PolarHBondContact O-N 3.08Å; Q38-F42 HydrophobicContact CG-CD2 3.73Å; Q38-F42 HydrophobicContact CG-CE2 3.44Å; Q38-F42 VanDerWaalsContact CG-CE2 3.44Å; Q38-F42 HydrophobicContact CG-CZ 4.08Å; Q38-F42 WeakPolarHBondContact O-CB 3.49Å; Q38-F42 WeakPolarHBondContact O-CD2 3.4Å; Q38-F42 WeakPolarHBondContact O-CG 3.46Å; Q38-F42 PolarHBondContact O-N 3.13Å
39I97.2Very high95.7Very high69 Ų6968.4 Ų68.435%0.35436%0.356SS..Hα-helixtrans-58.4-48.2174.4-70167.4000109.9L35 E36 L41 F42 E43 F99L35-I39 WeakPolarHBondContact O-CG1 3.07Å; L35-I39 PolarHBondContact O-N 3.49Å; E36-I39 PolarHBondContact O-N 3.27Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.01Å; I39-F42 PolarHBondContact O-N 3.47Å; I39-E43 HydrophobicContact CG2-CG 4.21Å; I39-E43 WeakPolarHBondContact O-CB 3.48Å; I39-E43 VanDerWaalsContact O-CG 3.31Å; I39-E43 WeakPolarHBondContact O-CG 3.49Å; I39-E43 PolarHBondContact O-N 2.57Å; I39-F99 HydrophobicContact CG2-CB 3.7Å
40Y96.8Very high95.7Very high67 Ų6765.4 Ų65.426%0.26334%0.337SS..Hα-helixtrans-58.3-41.3179.4-176.5-91.5000113E36 R37 Q38 G44 R97 S100 L110E36-Y40 WeakPolarHBondContact O-CB 3.37Å; E36-Y40 PolarHBondContact O-N 3.42Å; R37-Y40 WeakPolarHBondContact O-CB 3.33Å; R37-Y40 PolarHBondContact O-N 3.27Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.23Å; Y40-G44 PolarHBondContact O-N 3.05Å; Y40-R97 PolarHBondContact O-NH1 3.12Å; Y40-S100 WeakPolarHBondContact CA-OG 3.19Å; Y40-L110 HydrophobicContact CD1-CD1 4.48Å; Y40-L110 HydrophobicContact CD1-CD2 4.24Å; Y40-L110 HydrophobicContact CE1-CD2 3.81Å; Y40-L110 HydrophobicContact CE2-CD2 4.24Å
41L95.9Very high95.6Very high123 Ų12361 Ų6164%0.64432%0.324SS*.Hα-helixtrans-67.3-48.3176.6-67.6172.9000111.7R37 Q38 I39 E43 G44 S45R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 2.53Å; Q38-L41 PolarHBondContact O-N 3.08Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.01Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.29Å; L41-G44 PolarHBondContact O-N 3.03Å; L41-G44 VanDerWaalsContact O-N 3.14Å; L41-S45 PolarHBondContact O-N 3.37Å
42F97.2Very high95.2Very high131 Ų13160.5 Ų60.558%0.57532%0.323SS*.Hα-helixtrans-63.8-38.4179.5-75.9-32.5000113.1Q38 I39 G44 S45 Y46Q38-F42 HydrophobicContact CG-CD2 3.73Å; Q38-F42 HydrophobicContact CG-CE2 3.44Å; Q38-F42 VanDerWaalsContact CG-CE2 3.44Å; Q38-F42 HydrophobicContact CG-CZ 4.08Å; Q38-F42 WeakPolarHBondContact O-CB 3.49Å; Q38-F42 WeakPolarHBondContact O-CD2 3.4Å; Q38-F42 WeakPolarHBondContact O-CG 3.46Å; Q38-F42 PolarHBondContact O-N 3.13Å; I39-F42 PolarHBondContact O-N 3.47Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.54Å; F42-S45 PolarHBondContact O-N 3.23Å; F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.27Å; F42-Y46 PolarHBondContact O-N 3.13Å
43E96.4Very high95Very high10 Ų1063.5 Ų63.55%0.04733%0.329CS..Hα-helixtrans-59-40.2173.7-80.7-171.7152.200112.2I39 L41 Y46 L47 R97 L98 F99 S100I39-E43 HydrophobicContact CG2-CG 4.21Å; I39-E43 WeakPolarHBondContact O-CB 3.48Å; I39-E43 VanDerWaalsContact O-CG 3.31Å; I39-E43 WeakPolarHBondContact O-CG 3.49Å; I39-E43 PolarHBondContact O-N 2.57Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.29Å; E43-Y46 PolarHBondContact O-N 3.28Å; E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 VanDerWaalsContact O-CG 3.23Å; E43-L47 WeakPolarHBondContact O-CG 3.36Å; E43-L47 PolarHBondContact O-N 3.43Å; E43-R97 VanDerWaalsContact OE1-C 3.31Å; E43-R97 WeakPolarHBondContact OE2-CB 3.11Å; E43-R97 WeakPolarHBondContact OE2-CG 3.17Å; E43-R97 IonicContact OE2-NH1 3.61Å; E43-L98 PolarHBondContact OE1-N 3.39Å; E43-F99 HydrophobicContact CG-CB 4.42Å; E43-F99 HydrophobicContact CG-CD2 4.08Å; E43-F99 WeakPolarHBondContact OE1-CA 3.24Å; E43-F99 WeakPolarHBondContact OE1-CB 3.35Å; E43-F99 WeakPolarHBondContact OE1-CD2 3.31Å; E43-F99 PolarHBondContact OE1-N 2.95Å; E43-S100 VanDerWaalsContact CD-OG 3.31Å; E43-S100 PolarHBondContact OE1-N 3.06Å; E43-S100 VanDerWaalsContact OE2-CB 3.24Å; E43-S100 WeakPolarHBondContact OE2-CB 3.37Å; E43-S100 PolarHBondContact OE2-OG 3.01Å
44G95.2Very high94.9Very high9 Ų963.5 Ų63.59%0.09333%0.329CS..Hα-helixtrans-58.9-53.5177.600000111.1Y40 L41 F42 Y46 L47 D48Y40-G44 PolarHBondContact O-N 3.05Å; L41-G44 PolarHBondContact O-N 3.03Å; L41-G44 VanDerWaalsContact O-N 3.14Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.54Å; G44-Y46 PolarHBondContact O-N 2.72Å; G44-L47 PolarHBondContact O-N 2.86Å; G44-D48 PolarHBondContact O-N 2.97Å; G44-D48 VanDerWaalsContact O-N 3.09Å
45S95.3Very high94.8Very high63 Ų6361.5 Ų61.544%0.44131%0.313SS..Hα-helixtrans-57.8-49.7176.3-165.40000111.3L41 F42 L47 D48 D49L41-S45 PolarHBondContact O-N 3.37Å; F42-S45 PolarHBondContact O-N 3.23Å; S45-L47 PolarHBondContact O-N 2.97Å; S45-D48 PolarHBondContact O-N 3.41Å; S45-D49 VanDerWaalsContact O-CB 3.26Å; S45-D49 WeakPolarHBondContact O-CB 3.48Å; S45-D49 PolarHBondContact O-N 3.25Å; S45-D49 PolarHBondContact OG-OD2 3Å
46Y98Very high94.8Very high82 Ų8262.1 Ų62.132%0.32232%0.315SS..Hα-helixtrans-58.6-45.5-178.4177.8-100000112.1F42 E43 G44 T50 N55 I56F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.27Å; F42-Y46 PolarHBondContact O-N 3.13Å; E43-Y46 PolarHBondContact O-N 3.28Å; G44-Y46 PolarHBondContact O-N 2.72Å; Y46-T50 HydrophobicContact CD2-CG2 3.8Å; Y46-T50 HydrophobicContact CE2-CG2 3.61Å; Y46-T50 HydrophobicContact CG-CG2 4.39Å; Y46-T50 VanDerWaalsContact O-CB 3.28Å; Y46-T50 WeakPolarHBondContact O-CB 3.23Å; Y46-T50 VanDerWaalsContact O-CG2 3.29Å; Y46-T50 WeakPolarHBondContact O-CG2 3.41Å; Y46-T50 PolarHBondContact O-N 3.17Å; Y46-T50 PolarHBondContact O-OG1 3Å; Y46-N55 HydrophobicContact CE1-CB 3.95Å; Y46-I56 HydrophobicContact CE1-CG2 4.11Å
47L95.4Very high94.6Very high13 Ų1364.4 Ų64.47%0.06833%0.327CS..Hα-helixtrans-67.8-38.1-178.9-70.3176.4000112.4E43 G44 S45 A51 I57 F92 D96 R97E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 VanDerWaalsContact O-CG 3.23Å; E43-L47 WeakPolarHBondContact O-CG 3.36Å; E43-L47 PolarHBondContact O-N 3.43Å; G44-L47 PolarHBondContact O-N 2.86Å; S45-L47 PolarHBondContact O-N 2.97Å; L47-A51 WeakPolarHBondContact O-CB 3.24Å; L47-A51 PolarHBondContact O-N 3.01Å; L47-I57 HydrophobicContact CD2-CG1 3.85Å; L47-F92 HydrophobicContact CB-CB 3.93Å; L47-F92 HydrophobicContact CB-CD1 3.85Å; L47-F92 HydrophobicContact CB-CG 3.85Å; L47-F92 HydrophobicContact CD1-CB 3.99Å; L47-F92 HydrophobicContact CD1-CD2 3.81Å; L47-F92 HydrophobicContact CD1-CG 3.85Å; L47-D96 HydrophobicContact CD1-CB 4.1Å; L47-R97 HydrophobicContact CD1-CG 4.27Å
48D93.9Very high94.4Very high92 Ų9268 Ų6849%0.49234%0.344SS..Hα-helixtrans-68.5-49.4175.4-79.2-29000111.3G44 S45 T50 F92G44-D48 PolarHBondContact O-N 2.97Å; G44-D48 VanDerWaalsContact O-N 3.09Å; S45-D48 PolarHBondContact O-N 3.41Å; D48-T50 VanDerWaalsContact C-N 3.35Å; D48-T50 PolarHBondContact O-N 3.36Å; D48-F92 VanDerWaalsContact OD1-CD1 3.24Å; D48-F92 WeakPolarHBondContact OD1-CD1 3.25Å; D48-F92 WeakPolarHBondContact OD2-CE1 3.29Å
49D94.9Very high94.2Very high104 Ų10464.9 Ų64.956%0.55634%0.337SS*.Hα-helixtrans-67.3-33.7-174.9-65.6-31.3000112.7S45S45-D49 VanDerWaalsContact O-CB 3.26Å; S45-D49 WeakPolarHBondContact O-CB 3.48Å; S45-D49 PolarHBondContact O-N 3.25Å; S45-D49 PolarHBondContact OG-OD2 3Å
50T93.9Very high94.1Very high24 Ų2468 Ų6815%0.14734%0.344CS..Hα-helixtrans-96.4-8.3-175.964.50000114.5Y46 D48 P52 Y53 G54 N55Y46-T50 HydrophobicContact CD2-CG2 3.8Å; Y46-T50 HydrophobicContact CE2-CG2 3.61Å; Y46-T50 HydrophobicContact CG-CG2 4.39Å; Y46-T50 VanDerWaalsContact O-CB 3.28Å; Y46-T50 WeakPolarHBondContact O-CB 3.23Å; Y46-T50 VanDerWaalsContact O-CG2 3.29Å; Y46-T50 WeakPolarHBondContact O-CG2 3.41Å; Y46-T50 PolarHBondContact O-N 3.17Å; Y46-T50 PolarHBondContact O-OG1 3Å; D48-T50 VanDerWaalsContact C-N 3.35Å; D48-T50 PolarHBondContact O-N 3.36Å; T50-P52 VanDerWaalsContact C-N 3.33Å; T50-Y53 PolarHBondContact O-N 3.36Å; T50-Y53 VanDerWaalsContact O-N 3.17Å; T50-G54 PolarHBondContact O-N 2.99Å; T50-N55 VanDerWaalsContact OG1-CB 3.25Å; T50-N55 WeakPolarHBondContact OG1-CB 3.31Å; T50-N55 PolarHBondContact OG1-ND2 3.49Å
51A90.2Very high93.6Very high45 Ų4569.8 Ų69.837%0.37236%0.358SS..THydrogen-bonded Turntrans-48.2-42.3178.900000115.2L47L47-A51 WeakPolarHBondContact O-CB 3.24Å; L47-A51 PolarHBondContact O-N 3.01Å
52P89.2Confident93.2Very high65 Ų6571.6 Ų71.642%0.42236%0.356SS..THydrogen-bonded Turntrans-79.5-20-176.229.7-34.5000114.4T50 R62T50-P52 VanDerWaalsContact C-N 3.33Å; P52-R62 VanDerWaalsContact O-CD 3.22Å; P52-R62 WeakPolarHBondContact O-CD 3.17Å; P52-R62 WeakPolarHBondContact O-CG 3.49Å
53Y90.6Very high92.9Very high144 Ų14471.1 Ų71.157%0.56535%0.352SS*.THydrogen-bonded Turntrans-101-35.1-175.1-50.7-65.2000112.1T50 R62 Y63T50-Y53 PolarHBondContact O-N 3.36Å; T50-Y53 VanDerWaalsContact O-N 3.17Å; Y53-R62 CarbonylContact O-C 3.35Å; Y53-R62 WeakPolarHBondContact O-CB 3.41Å; Y53-Y63 VanDerWaalsContact O-CA 3.26Å; Y53-Y63 WeakPolarHBondContact O-CA 3.31Å; Y53-Y63 VanDerWaalsContact O-CB 3.31Å; Y53-Y63 WeakPolarHBondContact O-CB 3.38Å; Y53-Y63 PolarHBondContact O-N 2.92Å
54G92.2Very high92.6Very high6 Ų675.7 Ų75.76%0.06238%0.376CS..  trans121155.2-16900000110.6T50 G59 W60T50-G54 PolarHBondContact O-N 2.99Å; G54-G59 WeakPolarHBondContact CA-O 3.49Å; G54-W60 WeakPolarHBondContact O-CZ3 3.47Å
55N94.1Very high92Very high2 Ų281.8 Ų81.81%0.01140%0.404CS..BIsolated β-bridgetrans-160177.9-175.462.435.8000112.1Y46 T50 I57 K58 G59Y46-N55 HydrophobicContact CE1-CB 3.95Å; T50-N55 VanDerWaalsContact OG1-CB 3.25Å; T50-N55 WeakPolarHBondContact OG1-CB 3.31Å; T50-N55 PolarHBondContact OG1-ND2 3.49Å; N55-I57 PolarHBondContact O-N 2.79Å; N55-I57 VanDerWaalsContact O-N 3.14Å; N55-I57 WeakPolarHBondContact OD1-CB 3.49Å; N55-I57 PolarHBondContact OD1-N 3.39Å; N55-K58 PolarHBondContact O-N 3.5Å; N55-K58 PolarHBondContact OD1-N 2.68Å; N55-G59 PolarHBondContact N-O 2.67Å; N55-G59 CarbonylContact O-C 3.4Å; N55-G59 VanDerWaalsContact O-CA 3.31Å; N55-G59 WeakPolarHBondContact O-CA 3.47Å; N55-G59 PolarHBondContact O-N 2.55Å
56I95.2Very high91.2Very high100 Ų10082.7 Ų82.751%0.51341%0.41SS..THydrogen-bonded Turntrans-63-20.8-177.5-165.4149.7000114.4Y46Y46-I56 HydrophobicContact CE1-CG2 4.11Å
57I93.4Very high89.9Confident56 Ų5682.8 Ų82.829%0.28742%0.423SS..THydrogen-bonded Turntrans-85.7-43.2-179.8-52.9-57.6000111.6L47 N55 D96 L98L47-I57 HydrophobicContact CD2-CG1 3.85Å; N55-I57 PolarHBondContact O-N 2.79Å; N55-I57 VanDerWaalsContact O-N 3.14Å; N55-I57 WeakPolarHBondContact OD1-CB 3.49Å; N55-I57 PolarHBondContact OD1-N 3.39Å; I57-D96 WeakPolarHBondContact CD1-O 3.36Å; I57-D96 WeakPolarHBondContact CG1-O 3.4Å; I57-D96 HydrophobicContact CG2-CB 4.17Å; I57-L98 HydrophobicContact CD1-CB 3.56Å; I57-L98 HydrophobicContact CD1-CD2 4.05Å; I57-L98 HydrophobicContact CD1-CG 4.44Å
58K90.3Very high88.3Confident132 Ų13285.2 Ų85.257%0.57444%0.441SS*.THydrogen-bonded Turntrans-99-11.8-174.1-65.6179.3-178.8170.50113.7N55N55-K58 PolarHBondContact O-N 3.5Å; N55-K58 PolarHBondContact OD1-N 2.68Å
59G92.6Very high86.5Confident26 Ų2688.2 Ų88.227%0.26846%0.457SS..BIsolated β-bridgetrans92175.4-17300000113.4G54 N55G54-G59 WeakPolarHBondContact CA-O 3.49Å; N55-G59 PolarHBondContact N-O 2.67Å; N55-G59 CarbonylContact O-C 3.4Å; N55-G59 VanDerWaalsContact O-CA 3.31Å; N55-G59 WeakPolarHBondContact O-CA 3.47Å; N55-G59 PolarHBondContact O-N 2.55Å
60W94.4Very high84.6Confident134 Ų13487.5 Ų87.551%0.50846%0.46SS..SBendtrans-105.74.2-174.9-61.3104.9000113.5G54 R62 Y63 L64G54-W60 WeakPolarHBondContact O-CZ3 3.47Å; W60-R62 PolarHBondContact O-N 3.21Å; W60-R62 VanDerWaalsContact O-N 3.16Å; W60-Y63 WeakPolarHBondContact O-CB 3.49Å; W60-Y63 PolarHBondContact O-N 2.99Å; W60-L64 WeakPolarHBondContact O-CG 3.35Å; W60-L64 PolarHBondContact O-N 3.21Å
61D87.1Confident82.8Confident104 Ų10493.4 Ų93.456%0.55649%0.49SS*.Hα-helixtrans-53.6-41.2-177.1-58.6-72.9000112.1Y63 L64 M65D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.19Å; D61-L64 PolarHBondContact O-N 3.43Å; D61-M65 WeakPolarHBondContact O-CB 3.27Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å; D61-M65 PolarHBondContact O-N 3.06Å
62R87.9Confident81.1Confident161 Ų16197.6 Ų97.661%0.60851%0.511SS*.Hα-helixtrans-65.9-35.2178.3177.5158.7-91.5-104.8-1.4113.1P52 Y53 W60 S66P52-R62 VanDerWaalsContact O-CD 3.22Å; P52-R62 WeakPolarHBondContact O-CD 3.17Å; P52-R62 WeakPolarHBondContact O-CG 3.49Å; Y53-R62 CarbonylContact O-C 3.35Å; Y53-R62 WeakPolarHBondContact O-CB 3.41Å; W60-R62 PolarHBondContact O-N 3.21Å; W60-R62 VanDerWaalsContact O-N 3.16Å; R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.41Å
63Y91.4Very high79.2Confident121 Ų121101.8 Ų101.848%0.47554%0.535SS..Hα-helixtrans-67.7-45.8176.3179.4-99.4000109.3Y53 W60 D61 M65 S66 S67Y53-Y63 VanDerWaalsContact O-CA 3.26Å; Y53-Y63 WeakPolarHBondContact O-CA 3.31Å; Y53-Y63 VanDerWaalsContact O-CB 3.31Å; Y53-Y63 WeakPolarHBondContact O-CB 3.38Å; Y53-Y63 PolarHBondContact O-N 2.92Å; W60-Y63 WeakPolarHBondContact O-CB 3.49Å; W60-Y63 PolarHBondContact O-N 2.99Å; D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.19Å; Y63-M65 PolarHBondContact O-N 3.37Å; Y63-S66 PolarHBondContact O-N 3.27Å; Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.5Å
64L88.6Confident77.3Confident107 Ų10798 Ų9856%0.5654%0.541SS*.Hα-helixtrans-59.9-45.8176.4-62.4176.7000111.8W60 D61 S66 S67 S68W60-L64 WeakPolarHBondContact O-CG 3.35Å; W60-L64 PolarHBondContact O-N 3.21Å; D61-L64 PolarHBondContact O-N 3.43Å; L64-S66 PolarHBondContact O-N 3.32Å; L64-S67 PolarHBondContact O-N 3.34Å; L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.14Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å
65M83.7Confident75.1Confident136 Ų136104.6 Ų104.667%0.6757%0.574SS**Hα-helixtrans-63.6-37.6176.8-69.2170.679.400112.9D61 Y63 S67 S68D61-M65 WeakPolarHBondContact O-CB 3.27Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å; D61-M65 PolarHBondContact O-N 3.06Å; Y63-M65 PolarHBondContact O-N 3.37Å; M65-S67 VanDerWaalsContact C-N 3.35Å; M65-S68 PolarHBondContact O-N 3.43Å; M65-S68 PolarHBondContact O-OG 3.08Å
66S78.2Confident73.2Confident83 Ų83110 Ų11058%0.5861%0.612SS**Hα-helixtrans-73-28.3178.3-171.20000112.6R62 Y63 L64R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.41Å; Y63-S66 PolarHBondContact O-N 3.27Å; L64-S66 PolarHBondContact O-N 3.32Å
67S70.4Confident71.1Confident83 Ų83112.1 Ų112.158%0.5862%0.624SS**Hα-helixtrans-81.4-26.1174.2-69.90000112.7Y63 L64 M65 N69Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.5Å; L64-S67 PolarHBondContact O-N 3.34Å; M65-S67 VanDerWaalsContact C-N 3.35Å; S67-N69 PolarHBondContact O-N 3.37Å
68S62.2Low69.5Low65 Ų65116.5 Ų116.546%0.45565%0.648SS.*  trans-97.753.9-177.272.40000113.3L64 M65 S70L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.14Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å; M65-S68 PolarHBondContact O-N 3.43Å; M65-S68 PolarHBondContact O-OG 3.08Å; S68-S70 PolarHBondContact O-N 3Å
69N56.8Low67.7Low154 Ų154114.1 Ų114.182%0.82465%0.648SS**SBendtrans-64.314.2172.9-100.4-22.1000114.5S67S67-N69 PolarHBondContact O-N 3.37Å
70S54.8Low66Low90 Ų90122 Ų12263%0.62968%0.675SS**SBendtrans-162.6141.8171.8-154.70000109.2S68S68-S70 PolarHBondContact O-N 3Å
71L56.3Low64.1Low147 Ų147118.8 Ų118.877%0.7767%0.673SS**SBendtrans84.7117.8173.5-88.565.6000117.1
72V54.3Low62.5Low134 Ų134124.8 Ų124.881%0.81269%0.688SS**  trans72.476.6160.3-96.50000118.6G74V72-G74 PolarHBondContact O-N 2.82Å; V72-G74 VanDerWaalsContact O-N 3.15Å
73T49Very low60.9Low152 Ų152122.8 Ų122.893%0.93369%0.689SS**  -30.7109.9128.2-63.30000111.2
74G49.7Very low59.1Low66 Ų66122.9 Ų122.968%0.6870%0.702SS**  trans173.390.2174.500000114V72V72-G74 PolarHBondContact O-N 2.82Å; V72-G74 VanDerWaalsContact O-N 3.15Å
75N47.7Very low57.2Low143 Ų143120.8 Ų120.877%0.76571%0.706SS**  trans85.563.3154.7-138.128.6000119.1N77N75-N77 PolarHBondContact O-N 3.14Å
76S54.1Low55.5Low116 Ų116117 Ų11781%0.81169%0.688SS**  trans-90.470.9166.464.10000112
77N51Low54.3Low144 Ų144122.8 Ų122.877%0.7770%0.703SS**  trans-109.821.4172.1-83.6-39.5000113.7N75N75-N77 PolarHBondContact O-N 3.14Å
78L58.9Low53.5Low148 Ų148127.4 Ų127.478%0.77571%0.708SS**  trans-108.544.4171.3-74.9151.3000111F80L78-F80 PolarHBondContact O-N 3.03Å
79S53.4Low52.9Low82 Ų82129.9 Ų129.957%0.57373%0.733SS**  trans-80.794169.7174.40000109.4S81S79-S81 PolarHBondContact O-N 3.38Å; S79-S81 VanDerWaalsContact OG-CB 3.27Å; S79-S81 WeakPolarHBondContact OG-CB 3.46Å; S79-S81 PolarHBondContact OG-N 3.45Å
80F56.9Low53.2Low191 Ų191128.6 Ų128.684%0.83872%0.716SS**  trans-76.917.9158.5-80.7-80.8000112.1L78 R82L78-F80 PolarHBondContact O-N 3.03Å; F80-R82 PolarHBondContact O-N 3.32Å
81S54.9Low54.5Low67 Ų67132.8 Ų132.847%0.46972%0.723SS.*  trans-7375.7171.4-169.30000110.6S79 N83 V84S79-S81 PolarHBondContact O-N 3.38Å; S79-S81 VanDerWaalsContact OG-CB 3.27Å; S79-S81 WeakPolarHBondContact OG-CB 3.46Å; S79-S81 PolarHBondContact OG-N 3.45Å; S81-N83 PolarHBondContact O-N 2.94Å; S81-V84 WeakPolarHBondContact OG-CG2 3.33Å
82R52Low55.9Low230 Ų230128 Ų12887%0.86870%0.696SS**THydrogen-bonded Turntrans-67.680.3146.7-74.7-172.3-74.3173.4-5.1106.5F80F80-R82 PolarHBondContact O-N 3.32Å
83N54.7Low57.7Low119 Ų119127.6 Ų127.664%0.63668%0.68SS**THydrogen-bonded Turntrans169.927.4157.5-79.6-32.2000113S81 G85S81-N83 PolarHBondContact O-N 2.94Å; N83-G85 PolarHBondContact O-N 3.49Å
84V53.7Low59.7Low124 Ų124125.5 Ų125.575%0.75266%0.663SS**THydrogen-bonded Turntrans-72.454.5172.3-168.20000111.5S81S81-V84 WeakPolarHBondContact OG-CG2 3.33Å
85G49.1Very low61.7Low62 Ų62125 Ų12564%0.63965%0.649SS**THydrogen-bonded Turntrans-148.8-3.6177.600000113.8N83 K87N83-G85 PolarHBondContact O-N 3.49Å; G85-K87 PolarHBondContact O-N 3.22Å
86D48.1Very low63.9Low56 Ų56119.8 Ų119.830%0.29962%0.622SS.*  trans-97.179.6-171.1-154.8-19.4000113.1R88 R90D86-R88 PolarHBondContact O-N 2.93Å; D86-R90 IonicContact OD1-CZ 2.88Å; D86-R90 IonicContact OD1-NE 2.63Å; D86-R90 PolarHBondContact OD1-NE 3.45Å; D86-R90 IonicContact OD1-NH2 2.59Å; D86-R90 PolarHBondContact OD1-NH2 3Å; D86-R90 IonicContact OD2-CZ 2.75Å; D86-R90 IonicContact OD2-NE 2.91Å; D86-R90 PolarHBondContact OD2-NE 2.84Å; D86-R90 IonicContact OD2-NH1 3.29Å; D86-R90 PolarHBondContact OD2-NH1 3.33Å; D86-R90 IonicContact OD2-NH2 2.91Å; D86-R90 PolarHBondContact OD2-NH2 3.31Å
87K53.6Low65.9Low206 Ų206115 Ų11590%0.89659%0.586SS**  trans-74.217.9-176.7-56.5-174.1-178.1-172.80114.9G85G85-K87 PolarHBondContact O-N 3.22Å
88R52.2Low68.1Low179 Ų179112.7 Ų112.768%0.67557%0.573SS**SBendtrans-100.9132168.3-65.5173.5-176.4156.30.7105.7D86 R90D86-R88 PolarHBondContact O-N 2.93Å; R88-R90 HydrophobicContact CB-CG 3.39Å; R88-R90 VanDerWaalsContact O-CG 3.26Å; R88-R90 WeakPolarHBondContact O-CG 3.34Å; R88-R90 PolarHBondContact O-N 2.76Å
89A49.8Very low69.9Low118 Ų118110.7 Ų110.798%0.97556%0.558SS**  trans-6468.1171.600000110.1K91A89-K91 PolarHBondContact O-N 3.25Å
90R64.4Low71.9Confident127 Ų127107.1 Ų107.148%0.47953%0.533SS..  trans-84121.3-163.5-61-157.9-155.1172.612.9109.1D86 R88D86-R90 IonicContact OD1-CZ 2.88Å; D86-R90 IonicContact OD1-NE 2.63Å; D86-R90 PolarHBondContact OD1-NE 3.45Å; D86-R90 IonicContact OD1-NH2 2.59Å; D86-R90 PolarHBondContact OD1-NH2 3Å; D86-R90 IonicContact OD2-CZ 2.75Å; D86-R90 IonicContact OD2-NE 2.91Å; D86-R90 PolarHBondContact OD2-NE 2.84Å; D86-R90 IonicContact OD2-NH1 3.29Å; D86-R90 PolarHBondContact OD2-NH1 3.33Å; D86-R90 IonicContact OD2-NH2 2.91Å; D86-R90 PolarHBondContact OD2-NH2 3.31Å; R88-R90 HydrophobicContact CB-CG 3.39Å; R88-R90 VanDerWaalsContact O-CG 3.26Å; R88-R90 WeakPolarHBondContact O-CG 3.34Å; R88-R90 PolarHBondContact O-N 2.76Å
91K80.3Confident73.7Confident177 Ų177105.9 Ų105.977%0.7752%0.523SS*.  trans-23.7136.6153.9-57.2167.776.2-93.70110.3A89A89-K91 PolarHBondContact O-N 3.25Å
92F87Confident75.7Confident46 Ų46107.4 Ų107.420%0.20253%0.533CS..  trans-52149.3178.266.1-97.2000110.6L47 D48 R97L47-F92 HydrophobicContact CB-CB 3.93Å; L47-F92 HydrophobicContact CB-CD1 3.85Å; L47-F92 HydrophobicContact CB-CG 3.85Å; L47-F92 HydrophobicContact CD1-CB 3.99Å; L47-F92 HydrophobicContact CD1-CD2 3.81Å; L47-F92 HydrophobicContact CD1-CG 3.85Å; D48-F92 VanDerWaalsContact OD1-CD1 3.24Å; D48-F92 WeakPolarHBondContact OD1-CD1 3.25Å; D48-F92 WeakPolarHBondContact OD2-CE1 3.29Å; F92-R97 VanDerWaalsContact CE2-CZ 3.48Å; F92-R97 VanDerWaalsContact CZ-NH2 3.28Å
93R91Very high77.8Confident127 Ų12797.9 Ų97.948%0.47950%0.502SS..  trans-92152.9-179.9-57.4174.985.8145.40108.7S95 D96R93-S95 VanDerWaalsContact CB-OG 3.25Å; R93-S95 WeakPolarHBondContact CB-OG 3.29Å; R93-S95 PolarHBondContact O-N 3.35Å; R93-S95 VanDerWaalsContact O-N 3.12Å; R93-D96 PolarHBondContact N-OD2 3.05Å; R93-D96 VanDerWaalsContact O-CB 3.3Å; R93-D96 WeakPolarHBondContact O-CB 3.23Å; R93-D96 PolarHBondContact O-N 3.26Å
94D90.9Very high79.7Confident107 Ų10799 Ų9957%0.57251%0.513SS*.G310 helixtrans-61.4-22.3171.9-64.7-47.3000112.5D96 R97D94-D96 PolarHBondContact O-N 2.83Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-NE 3.39Å; D94-R97 PolarHBondContact OD1-NE 2.91Å
95S93.1Very high81.6Confident56 Ų5695.8 Ų95.839%0.39249%0.494SS..G310 helixtrans-61.6-26171.356.50000113.7R93 R97 R101R93-S95 VanDerWaalsContact CB-OG 3.25Å; R93-S95 WeakPolarHBondContact CB-OG 3.29Å; R93-S95 PolarHBondContact O-N 3.35Å; R93-S95 VanDerWaalsContact O-N 3.12Å; S95-R97 VanDerWaalsContact C-N 3.3Å; S95-R101 PolarHBondContact O-NH1 3.41Å
96D94.1Very high83.6Confident34 Ų3493.4 Ų93.418%0.18247%0.467CS..G310 helixtrans-84.5-8.1-173.5-54.7-18.3000112L47 I57 R93 D94 L98L47-D96 HydrophobicContact CD1-CB 4.1Å; I57-D96 WeakPolarHBondContact CD1-O 3.36Å; I57-D96 WeakPolarHBondContact CG1-O 3.4Å; I57-D96 HydrophobicContact CG2-CB 4.17Å; R93-D96 PolarHBondContact N-OD2 3.05Å; R93-D96 VanDerWaalsContact O-CB 3.3Å; R93-D96 WeakPolarHBondContact O-CB 3.23Å; R93-D96 PolarHBondContact O-N 3.26Å; D94-D96 PolarHBondContact O-N 2.83Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 3.34Å
97R95.5Very high85.5Confident16 Ų1695.6 Ų95.66%0.0648%0.482CS..  trans-79.368.6-179.8-70-176.7173.5-807.6112.4Y40 E43 L47 F92 D94 S95 F99 S100 R101Y40-R97 PolarHBondContact O-NH1 3.12Å; E43-R97 VanDerWaalsContact OE1-C 3.31Å; E43-R97 WeakPolarHBondContact OE2-CB 3.11Å; E43-R97 WeakPolarHBondContact OE2-CG 3.17Å; E43-R97 IonicContact OE2-NH1 3.61Å; L47-R97 HydrophobicContact CD1-CG 4.27Å; F92-R97 VanDerWaalsContact CE2-CZ 3.48Å; F92-R97 VanDerWaalsContact CZ-NH2 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-NE 3.39Å; D94-R97 PolarHBondContact OD1-NE 2.91Å; S95-R97 VanDerWaalsContact C-N 3.3Å; R97-F99 PolarHBondContact O-N 3.16Å; R97-S100 PolarHBondContact O-N 2.58Å; R97-R101 VanDerWaalsContact O-CB 3.27Å; R97-R101 WeakPolarHBondContact O-CB 3.17Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.83Å
98L96.1Very high87Confident95 Ų9589 Ų8950%0.49746%0.462SS..THydrogen-bonded Turntrans-60.3-40.5-170.5-176.965.2000114.1E43 I57 D96 S102E43-L98 PolarHBondContact OE1-N 3.39Å; I57-L98 HydrophobicContact CD1-CB 3.56Å; I57-L98 HydrophobicContact CD1-CD2 4.05Å; I57-L98 HydrophobicContact CD1-CG 4.44Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 VanDerWaalsContact O-N 3.13Å
99F96.6Very high88.4Confident105 Ų10581.2 Ų81.246%0.46144%0.435SS..THydrogen-bonded Turntrans-75.7-42.1-178.8-51-79.2000111.6I39 E43 R97 R101 S102I39-F99 HydrophobicContact CG2-CB 3.7Å; E43-F99 HydrophobicContact CG-CB 4.42Å; E43-F99 HydrophobicContact CG-CD2 4.08Å; E43-F99 WeakPolarHBondContact OE1-CA 3.24Å; E43-F99 WeakPolarHBondContact OE1-CB 3.35Å; E43-F99 WeakPolarHBondContact OE1-CD2 3.31Å; E43-F99 PolarHBondContact OE1-N 2.95Å; R97-F99 PolarHBondContact O-N 3.16Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.47Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.39Å; F99-S102 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact O-OG 3.27Å
100S96.2Very high89.8Confident7 Ų778.6 Ų78.65%0.04940%0.404CS..G310 helixtrans-59.8-42.1172.8-64.40000110.6Y40 E43 R97 S102 S103 S106Y40-S100 WeakPolarHBondContact CA-OG 3.19Å; E43-S100 VanDerWaalsContact CD-OG 3.31Å; E43-S100 PolarHBondContact OE1-N 3.06Å; E43-S100 VanDerWaalsContact OE2-CB 3.24Å; E43-S100 WeakPolarHBondContact OE2-CB 3.37Å; E43-S100 PolarHBondContact OE2-OG 3.01Å; R97-S100 PolarHBondContact O-N 2.58Å; S100-S102 PolarHBondContact O-N 3.26Å; S100-S103 PolarHBondContact O-N 3.39Å; S100-S106 VanDerWaalsContact O-CB 3.23Å; S100-S106 WeakPolarHBondContact O-CB 3.4Å; S100-S106 PolarHBondContact O-OG 3.07Å
101R95.7Very high90.3Very high165 Ų16576.9 Ų76.962%0.62341%0.405SS*.G310 helixtrans-71.9-11178.4-69.2-178.866.9-153.6-4.7114.2S95 R97 F99S95-R101 PolarHBondContact O-NH1 3.41Å; R97-R101 VanDerWaalsContact O-CB 3.27Å; R97-R101 WeakPolarHBondContact O-CB 3.17Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.83Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.47Å
102S96Very high89.6Confident99 Ų9972.6 Ų72.669%0.69239%0.39SS*.G310 helixtrans-75.5-15173.276.90000112.9L98 F99 S100L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 VanDerWaalsContact O-N 3.13Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.39Å; F99-S102 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact O-OG 3.27Å; S100-S102 PolarHBondContact O-N 3.26Å
103S95Very high88.1Confident31 Ų3175.9 Ų75.922%0.21741%0.406CS..  trans-110.6131.9172.3-177.70000111.5E36 S100 T105 S106E36-S103 WeakPolarHBondContact OE1-CB 3.26Å; E36-S103 PolarHBondContact OE1-OG 3.26Å; S100-S103 PolarHBondContact O-N 3.39Å; S103-T105 VanDerWaalsContact C-N 3.26Å; S103-T105 PolarHBondContact O-N 2.9Å; S103-T105 PolarHBondContact OG-N 3.09Å; S103-T105 PolarHBondContact OG-OG1 3.14Å; S103-T105 VanDerWaalsContact OG-OG1 3.05Å; S103-S106 PolarHBondContact O-OG 3.35Å
104V95.2Very high86.3Confident142 Ų14276.3 Ų76.386%0.86142%0.418SS*.SBendtrans-71.6-21.4174.6-63.10000112.6
105T93.5Very high84.5Confident57 Ų5777.8 Ų77.835%0.3542%0.421SS..SBendtrans-92.7-11.2-178.741.10000113.8E36 S103 V107 S108 S109E36-T105 WeakPolarHBondContact OE1-CB 3.48Å; E36-T105 PolarHBondContact OE1-OG1 3.24Å; S103-T105 VanDerWaalsContact C-N 3.26Å; S103-T105 PolarHBondContact O-N 2.9Å; S103-T105 PolarHBondContact OG-N 3.09Å; S103-T105 PolarHBondContact OG-OG1 3.14Å; S103-T105 VanDerWaalsContact OG-OG1 3.05Å; T105-V107 PolarHBondContact O-N 2.79Å; T105-S108 WeakPolarHBondContact O-CB 3.47Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; T105-S109 PolarHBondContact O-N 2.59Å; T105-S109 PolarHBondContact O-OG 2.63Å
106S90.8Very high82.5Confident12 Ų1281.1 Ų81.18%0.08443%0.434CS..Hα-helixtrans-57.1-44.6-172.761.40000114.2E36 S100 S103 S109 L110E36-S106 PolarHBondContact OE1-N 2.95Å; S100-S106 VanDerWaalsContact O-CB 3.23Å; S100-S106 WeakPolarHBondContact O-CB 3.4Å; S100-S106 PolarHBondContact O-OG 3.07Å; S103-S106 PolarHBondContact O-OG 3.35Å; S106-S109 PolarHBondContact O-N 3.29Å; S106-L110 PolarHBondContact O-N 3.15Å
107V88.4Confident80.3Confident101 Ų10187.1 Ų87.161%0.61247%0.467SS*.Hα-helixtrans-67.5-39.3-179.5-179.60000111.1T105 L110 N111T105-V107 PolarHBondContact O-N 2.79Å; V107-L110 PolarHBondContact O-N 3.49Å; V107-N111 PolarHBondContact O-N 2.97Å
108S85.7Confident77.6Confident68 Ų6890.4 Ų90.448%0.47649%0.492SS..Hα-helixtrans-65.9-39.4176.7-56.40000111.6T105 L110 N111 L112T105-S108 WeakPolarHBondContact O-CB 3.47Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; S108-L110 VanDerWaalsContact C-N 3.27Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-N111 PolarHBondContact O-N 3.29Å; S108-L112 PolarHBondContact O-N 3.31Å
109S80.6Confident75.1Confident15 Ų1590.1 Ų90.111%0.10551%0.512CS..Hα-helixtrans-66.1-25179.5-69.20000114.2E36 R37 T105 S106E36-S109 WeakPolarHBondContact OE2-CB 3.34Å; E36-S109 PolarHBondContact OE2-OG 2.91Å; R37-S109 PolarHBondContact NH1-O 3.27Å; T105-S109 PolarHBondContact O-N 2.59Å; T105-S109 PolarHBondContact O-OG 2.63Å; S106-S109 PolarHBondContact O-N 3.29Å
110L79Confident72.9Confident63 Ų6390.7 Ų90.733%0.3352%0.524SS..Hα-helixtrans-73.7-42.9172.7-178.460.3000111.5Y40 S106 V107 S108 L112Y40-L110 HydrophobicContact CD1-CD1 4.48Å; Y40-L110 HydrophobicContact CD1-CD2 4.24Å; Y40-L110 HydrophobicContact CE1-CD2 3.81Å; Y40-L110 HydrophobicContact CE2-CD2 4.24Å; S106-L110 PolarHBondContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 3.49Å; S108-L110 VanDerWaalsContact C-N 3.27Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.03Å
111N75.9Confident70.9Confident92 Ų9295.5 Ų95.549%0.49256%0.555SS.*Hα-helixtrans-71.2-31.3-178.1-64-16.1000112.3V107 S108 Q113 N114V107-N111 PolarHBondContact O-N 2.97Å; S108-N111 PolarHBondContact O-N 3.29Å; N111-Q113 PolarHBondContact O-N 3.38Å; N111-Q113 VanDerWaalsContact O-N 3.14Å; N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 VanDerWaalsContact O-N 3.08Å
112L64.4Low69.2Low87 Ų8792.5 Ų92.546%0.45556%0.557SS.*THydrogen-bonded Turntrans-61.8-22.3-177.3-119.467.2000113.9S108 L110 N116S108-L112 PolarHBondContact O-N 3.31Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.03Å; L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-ND2 3.47Å; L112-N116 PolarHBondContact O-OD1 2.87Å
113Q56.6Low66.9Low114 Ų11494.9 Ų94.953%0.53356%0.562SS.*THydrogen-bonded Turntrans-74.8-23.5176.2-79.2-162.9-36.100113.8R37 N111 E115R37-Q113 VanDerWaalsContact CD-CD 3.47Å; N111-Q113 PolarHBondContact O-N 3.38Å; N111-Q113 VanDerWaalsContact O-N 3.14Å; Q113-E115 VanDerWaalsContact C-N 3.32Å
114N52.6Low64.9Low136 Ų13698.7 Ų98.773%0.72758%0.58SS**THydrogen-bonded Turntrans-79.3-16.2179.9-69.1-20.5000113N111N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 VanDerWaalsContact O-N 3.08Å
115E53.8Low62.8Low138 Ų13897.2 Ų97.265%0.64557%0.573SS**THydrogen-bonded Turntrans-110.77.4-171.4-61.9-67.3135.800113.9Q113 D117 S118Q113-E115 VanDerWaalsContact C-N 3.32Å; E115-D117 PolarHBondContact O-N 3Å; E115-S118 PolarHBondContact O-N 3.25Å
116N51.4Low60.6Low126 Ų12699.9 Ų99.967%0.67459%0.591SS**THydrogen-bonded Turntrans-75.918-174.4-73.8-45.8000115.9L112L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-ND2 3.47Å; L112-N116 PolarHBondContact O-OD1 2.87Å
117D46.5Very low58.3Low161 Ų161105.8 Ų105.886%0.86163%0.626SS**THydrogen-bonded Turntrans-103.45.8168.8-158.229.7000113.4E115E115-D117 PolarHBondContact O-N 3Å
118S40.5Very low56Low84 Ų84107.2 Ų107.259%0.58763%0.631SS**SBendtrans-122.4103.5174.4-69.10000110E115 V120E115-S118 PolarHBondContact O-N 3.25Å; S118-V120 PolarHBondContact O-N 3.45Å
119G42.1Very low53.8Low90 Ų90112.3 Ų112.393%0.92865%0.647SS**  trans-65.153.9-173.900000116.5
120V51.6Low51.9Low116 Ų116118.5 Ų118.570%0.70368%0.677SS**  trans-111.7118.9175.2-169.30000108.3S118S118-V120 PolarHBondContact O-N 3.45Å
121P53.6Low49.9Very low109 Ų109119.8 Ų119.871%0.70869%0.692SS**  trans-61.7132.9174.826.6-32.3000108.6N123P121-N123 PolarHBondContact O-N 2.99Å
122P60.3Low47.8Very low102 Ų102117.7 Ų117.766%0.66269%0.692SS**  trans-66.1104.7174.825.1-29.5000107.7L124P122-L124 PolarHBondContact O-N 2.81Å
123N47.7Very low46.8Very low148 Ų148122.3 Ų122.379%0.79171%0.711SS**PPolyproline II helixtrans-47.4125.6160.9-169.31.5000107P121P121-N123 PolarHBondContact O-N 2.99Å
124L52Low45.8Very low112 Ų112125.1 Ų125.159%0.58672%0.717SS**PPolyproline II helixtrans-48.3133.9179.3-71.288.5000108.5P122P122-L124 PolarHBondContact O-N 2.81Å
125P52.3Low45.5Very low111 Ų111126 Ų12672%0.72172%0.722SS**PPolyproline II helixtrans-60.9139.2167.828.3-31000106.9V127P125-V127 PolarHBondContact O-N 3.02Å; P125-V127 VanDerWaalsContact O-N 3.13Å
126P47Very low45.5Very low112 Ų112127.3 Ų127.373%0.72773%0.728SS**PPolyproline II helixtrans-57.1125.9176.723.5-30.6000108.2N128P126-N128 PolarHBondContact O-N 3.17Å
127V43.2Very low45.4Very low136 Ų136126.7 Ų126.782%0.82473%0.731SS**SBendtrans-57.689.3155.4168.60000105.5P125P125-V127 PolarHBondContact O-N 3.02Å; P125-V127 VanDerWaalsContact O-N 3.13Å
128N38.5Very low45.5Very low132 Ų132123.5 Ų123.571%0.70672%0.721SS**  trans159.691.2159.2-83.1-16.9000109.8P126P126-N128 PolarHBondContact O-N 3.17Å
129Q39.9Very low46.2Very low174 Ų174124.6 Ų124.681%0.81373%0.726SS**  trans-165.266.8134.3-102.3173.696.700108.3S131Q129-S131 PolarHBondContact O-N 3.4Å
130I41.9Very low46.5Very low145 Ų145127.1 Ų127.174%0.74472%0.719SS**  trans-75.772.4153.5-62.5169.9000105.7Y134I130-Y134 HydrophobicContact CG2-CD1 4.18Å; I130-Y134 HydrophobicContact CG2-CE1 3.62Å
131S35.9Very low46.3Very low91 Ų91131.1 Ų131.164%0.63673%0.727SS**  trans-121.996.7176.5-650000107.9Q129Q129-S131 PolarHBondContact O-N 3.4Å
132G32.7Very low46.1Very low48 Ų48130.8 Ų130.850%0.49572%0.723SS.*SBendtrans78.1110175.200000113.2
133H42.4Very low45.5Very low184 Ų184131 Ų13185%0.85273%0.726SS**  -157.482.455.7-68.874.4000110.1N135H133-N135 VanDerWaalsContact C-N 3.26Å; H133-N135 PolarHBondContact O-N 2.84Å
134Y36.8Very low45.4Very low172 Ų172129.6 Ų129.668%0.67572%0.719SS**  trans-93.363.6162.932.9-86.7000108.6I130I130-Y134 HydrophobicContact CG2-CD1 4.18Å; I130-Y134 HydrophobicContact CG2-CE1 3.62Å
135N45.6Very low44.8Very low155 Ų155129.6 Ų129.683%0.82973%0.728SS**  trans-133.337.5169.4-107.82.5000110.3H133H133-N135 VanDerWaalsContact C-N 3.26Å; H133-N135 PolarHBondContact O-N 2.84Å
136Q52.8Low44.8Very low166 Ų166133.7 Ų133.778%0.77674%0.735SS**SBendtrans-93.3123.6159.8-67.4-62.5-30.100106.6S138Q136-S138 PolarHBondContact O-N 2.83Å; Q136-S138 VanDerWaalsContact O-N 3.14Å
137P49.6Very low44.7Very low112 Ų112134.5 Ų134.573%0.72774%0.741SS**  trans-57125.9174.524.1-30.4000107.2
138S48.5Very low44.6Very low94 Ų94131.6 Ų131.666%0.65774%0.738SS**  trans-41.9136.7168.3-58.20000108.6Q136 N140Q136-S138 PolarHBondContact O-N 2.83Å; Q136-S138 VanDerWaalsContact O-N 3.14Å; S138-N140 PolarHBondContact O-N 3.27Å
139P55.2Low44.8Very low107 Ų107133 Ų13370%0.69575%0.745SS**  trans-58.6114.2166.825.4-28.7000105.3F141P139-F141 PolarHBondContact O-N 3.04Å
140N49.1Very low45.2Very low143 Ų143133.5 Ų133.577%0.76575%0.748SS**  trans-53.8107.2173.6-74.5-35.5000106.4S138 V142S138-N140 PolarHBondContact O-N 3.27Å; N140-V142 HydrophobicContact CB-CG2 3.92Å; N140-V142 PolarHBondContact O-N 2.65Å
141F47.9Very low45Very low200 Ų200136.3 Ų136.388%0.87776%0.755SS**  trans-67.481.2160.1-83.6-88.8000105.6P139 S143P139-F141 PolarHBondContact O-N 3.04Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å
142V48.7Very low45.4Very low103 Ų103136.5 Ų136.562%0.62476%0.756SS**  trans-72.1100.6166-174.20000105N140 N144N140-V142 HydrophobicContact CB-CG2 3.92Å; N140-V142 PolarHBondContact O-N 2.65Å; V142-N144 WeakPolarHBondContact CG1-OD1 3.22Å; V142-N144 PolarHBondContact O-N 2.83Å
143S46.9Very low46.3Very low105 Ų105142.2 Ų142.273%0.73477%0.77SS**  trans-58.489.2160.655.60000107.7F141 S145F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å; S143-S145 PolarHBondContact O-N 3.4Å
144N45.8Very low46.3Very low120 Ų120141.8 Ų141.864%0.64277%0.772SS**  trans-72.393.1165.2-84.30.9000107V142 F146V142-N144 WeakPolarHBondContact CG1-OD1 3.22Å; V142-N144 PolarHBondContact O-N 2.83Å; N144-F146 WeakPolarHBondContact O-CD2 3.26Å; N144-F146 PolarHBondContact O-N 3.49Å; N144-F146 VanDerWaalsContact O-N 3.1Å
145S40.3Very low46.6Very low111 Ų111136.4 Ų136.478%0.77677%0.769SS**  trans-51.7109.7155.9-71.60000107.7S143 P147S143-S145 PolarHBondContact O-N 3.4Å; S145-P147 WeakPolarHBondContact O-CD 3.26Å
146F52.2Low47.1Very low198 Ų198138.7 Ų138.787%0.86877%0.772SS**  trans-77.8121165.6-70.1-85.7000108.3N144N144-F146 WeakPolarHBondContact O-CD2 3.26Å; N144-F146 PolarHBondContact O-N 3.49Å; N144-F146 VanDerWaalsContact O-N 3.1Å
147P44.3Very low46.8Very low129 Ų129135.8 Ų135.884%0.83877%0.769SS**  trans-94.4122.9156.133.2-22.8000108.2S145S145-P147 WeakPolarHBondContact O-CD 3.26Å
148G40.5Very low46.7Very low74 Ų74140.9 Ų140.976%0.76378%0.781SS**  trans121.597.1161.200000115.2
149N44.1Very low47Very low161 Ų161141.2 Ų141.286%0.86178%0.783SS**  trans-32.5136.8155.9-75.5-12.3000113.4
150Q47.7Very low46.4Very low186 Ų186139.9 Ų139.987%0.86979%0.789SS**  -170.780.7113.6-70.4-135.516.200108.5
151F37.2Very low46.3Very low204 Ų204142.7 Ų142.790%0.89580%0.795SS**  trans-11199.5165.2-171.6-97.9000108.5
152S44.7Very low46.6Very low94 Ų94138.5 Ų138.566%0.65779%0.79SS**  trans-137.4108.5165.612.90000108.7
153Q51.5Low47.2Very low169 Ų169141.2 Ų141.279%0.7980%0.801SS**  trans69.9108.4149.8-46-156.9-3.200117
154I41.8Very low47.8Very low174 Ų174141.9 Ų141.989%0.89280%0.803SS**  -160.7103.4125.5-88.5135.1000106.5
155G44.4Very low48Very low60 Ų60141.9 Ų141.962%0.61981%0.812SS**  trans-102.2161.216100000109.3
156K55.1Low48.9Very low203 Ų203146.3 Ų146.388%0.88382%0.821SS**  trans84.593.9165.2-46.7169.2-173.4-1800115.5
157S46.1Very low49Very low104 Ų104142.5 Ų142.573%0.72782%0.819SS**  166.2111.9117.8580000111.2
158F48.1Very low49.2Very low219 Ų219140 Ų14096%0.96182%0.816SS**  trans-122.2105.6159.3-26.5-85.2000106.6
159S54.5Low50.5Low102 Ų102146.7 Ų146.771%0.71382%0.824SS**  trans-117128.2165.552.80000107.6
160G43.6Very low51.1Low79 Ų79149.1 Ų149.181%0.81483%0.827SS**  trans-65.9158.5-165.700000116.2
161F46.3Very low52.1Low202 Ų202150.2 Ų150.289%0.88683%0.829SS**  trans-122.7118165.8-80.2-82000109.8
162S55.4Low53.5Low111 Ų111150.2 Ų150.278%0.77683%0.829SS**PPolyproline II helixtrans-77.1133.2165.549.50000110.7
163N60.7Low54.4Low161 Ų161150.8 Ų150.886%0.86183%0.833SS**PPolyproline II helixtrans-85.9135.2172.5-86.7-20.6000111.8
164P60.2Low55.5Low119 Ų119154.9 Ų154.977%0.77384%0.841SS**PPolyproline II helixtrans-93.3140.5163.732.8-27.5000112.5
165S49Very low56.8Low119 Ų119155.7 Ų155.783%0.83284%0.841SS**PPolyproline II helixtrans-62.1136.5177.449.70000114.6
166Q59.3Low57.9Low204 Ų204168.2 Ų168.295%0.95387%0.869SS**PPolyproline II helixtrans-87.4122.1168.7-78.2-171.9-2.100111.8
167S55.3Low58Low119 Ų119166.5 Ų166.583%0.83287%0.869SS**PPolyproline II helixtrans-90.4146.1167.360.20000111.3
168G48.1Very low58.6Low75 Ų75169.7 Ų169.777%0.77388%0.876SS**PPolyproline II helixtrans-78.1170.9-16600000117.5
169K66.8Low59.2Low215 Ų215167 Ų16794%0.93587%0.871SS**  trans-133120.3163-72.7-168.1177.2176.90111.1
170K57.4Low59.5Low213 Ų213170.8 Ų170.893%0.92688%0.881SS**  trans-74.9141.6165.4-74.4177.6172.2178.30110.6
171K68.2Low60.5Low208 Ų208176.6 Ų176.690%0.90489%0.885SS**  trans-132.2104.4157.1-90.1-177.1172.3178.40106.1
172K67.5Low61.4Low205 Ų205174.9 Ų174.989%0.89189%0.885SS**  71.211786.9-158.5170.5-174.21760113.9
173S62.9Low61.8Low106 Ų106179.4 Ų179.474%0.74189%0.892SS**  trans-69.1158-178.3540000114.4
174R73.8Confident61.9Low254 Ų254180.8 Ų180.896%0.95890%0.895SS**  trans-126.9130154-77-179.492.7175.86.5108.5
175Q71.1Confident62.1Low192 Ų192186 Ų18690%0.89791%0.905SS**  trans-111.8129.6172-164171.68.200105.9
176R65.6Low63.3Low322 Ų322192.1 Ų192.1100%1.21591%0.912SS**  trans-152.70158.1-110.3-166.2172.7-149.5-3107.1

Retrieved 176 of 176 residues in 63.2 ms (Link to these results)