G4VS13_SCHMA Loading...

C4H2-type domain-containing protein

AlphaFold DB , UniProt , Accession G4VS13, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 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
1M63Low83.9Confident191 Ų191122.7 Ų122.794%0.94159%0.588SS**  0-850-62-163.68700113.7K3 E4 G5M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.13Å; M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.32Å; M1-E4 WeakPolarHBondContact O-CB 3.16Å; M1-E4 PolarHBondContact O-N 3.2Å; M1-G5 PolarHBondContact O-N 3.31Å
2V72.7Confident84.8Confident119 Ų119118.8 Ų118.872%0.72158%0.583SS**Hα-helixtrans-52-45-169.4-177.70000113.9E4 G5 I6V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.33Å; V2-G5 PolarHBondContact O-N 2.92Å; V2-I6 HydrophobicContact CG1-CD1 3.97Å; V2-I6 WeakPolarHBondContact O-CG1 3.48Å; V2-I6 PolarHBondContact O-N 2.73Å
3K75.5Confident85.6Confident185 Ų185116.6 Ų116.680%0.80457%0.574SS**Hα-helixtrans-62.8-29178.2-66.6-173176.7-175.80114.5M1 L7M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.13Å; K3-L7 PolarHBondContact O-N 3.13Å
4E79.8Confident86.3Confident115 Ų115111 Ų11154%0.53756%0.561SS.*Hα-helixtrans-79.4-32.5-179.7-65.4157.3135.800111.9M1 V2 R8M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.32Å; M1-E4 WeakPolarHBondContact O-CB 3.16Å; M1-E4 PolarHBondContact O-N 3.2Å; V2-E4 VanDerWaalsContact C-N 3.29Å; V2-E4 PolarHBondContact O-N 3.33Å; E4-R8 PolarHBondContact O-N 3.45Å
5G86.6Confident86.9Confident20 Ų20106.9 Ų106.921%0.20655%0.551CS.*Hα-helixtrans-60.4-56170.600000110.2M1 V2 L7 R8 D9M1-G5 PolarHBondContact O-N 3.31Å; V2-G5 PolarHBondContact O-N 2.92Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.29Å; G5-R8 PolarHBondContact O-N 3.36Å; G5-D9 PolarHBondContact O-N 3Å
6I87.6Confident87.5Confident82 Ų82107.4 Ų107.442%0.42155%0.554SS.*Hα-helixtrans-52.7-43.1178.5-65.7168.7000112V2 D9 Y10V2-I6 HydrophobicContact CG1-CD1 3.97Å; V2-I6 WeakPolarHBondContact O-CG1 3.48Å; V2-I6 PolarHBondContact O-N 2.73Å; I6-D9 PolarHBondContact O-N 3.48Å; I6-Y10 HydrophobicContact CG2-CD2 3.69Å; I6-Y10 HydrophobicContact CG2-CE2 3.46Å; I6-Y10 VanDerWaalsContact CG2-CE2 3.46Å; I6-Y10 WeakPolarHBondContact O-CD2 3.37Å; I6-Y10 PolarHBondContact O-N 3.3Å
7L88.2Confident88Confident101 Ų101106.2 Ų106.253%0.52955%0.549SS..Hα-helixtrans-64.5-40.3178.3-17762.1000112.7K3 G5 D9 Y10 Q11K3-L7 PolarHBondContact O-N 3.13Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.29Å; L7-D9 VanDerWaalsContact C-N 3.35Å; L7-Y10 PolarHBondContact O-N 3.06Å; L7-Q11 WeakPolarHBondContact O-CG 3.19Å; L7-Q11 PolarHBondContact O-N 2.71Å
8R91.3Very high88.5Confident153 Ų153108.2 Ų108.258%0.57756%0.555SS**Hα-helixtrans-67.4-36.3174.5-71.4-163.9-57.2-101.31.8112.1E4 G5 Q11 S12E4-R8 PolarHBondContact O-N 3.45Å; G5-R8 PolarHBondContact O-N 3.36Å; R8-Q11 PolarHBondContact O-N 2.89Å; R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å; R8-S12 PolarHBondContact O-OG 3.49Å
9D92.9Very high89Confident96 Ų96106.5 Ų106.551%0.51355%0.554SS.*Hα-helixtrans-63.1-46.3176.1-57.2-27.9000110.3G5 I6 L7 Q11 S12 I13G5-D9 PolarHBondContact O-N 3Å; I6-D9 PolarHBondContact O-N 3.48Å; L7-D9 VanDerWaalsContact C-N 3.35Å; D9-Q11 PolarHBondContact O-N 3.39Å; D9-S12 PolarHBondContact O-N 3Å; D9-I13 VanDerWaalsContact O-CG1 3.31Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 3.31Å
10Y92Very high89.4Confident165 Ų165104.2 Ų104.265%0.64755%0.547SS*.Hα-helixtrans-59.8-42.8173.7-82.2-64.3000113.3I6 L7 S12 I13 G14I6-Y10 HydrophobicContact CG2-CD2 3.69Å; I6-Y10 HydrophobicContact CG2-CE2 3.46Å; I6-Y10 VanDerWaalsContact CG2-CE2 3.46Å; I6-Y10 WeakPolarHBondContact O-CD2 3.37Å; I6-Y10 PolarHBondContact O-N 3.3Å; L7-Y10 PolarHBondContact O-N 3.06Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 2.93Å; Y10-I13 PolarHBondContact O-N 2.98Å; Y10-G14 PolarHBondContact O-N 3.21Å
11Q93.5Very high89.8Confident123 Ų123105.8 Ų105.858%0.57555%0.552SS**Hα-helixtrans-63.1-39.1175.3-74173-17.300111.9L7 R8 D9 G14 A15L7-Q11 WeakPolarHBondContact O-CG 3.19Å; L7-Q11 PolarHBondContact O-N 2.71Å; R8-Q11 PolarHBondContact O-N 2.89Å; D9-Q11 PolarHBondContact O-N 3.39Å; Q11-G14 PolarHBondContact O-N 3.02Å; Q11-A15 PolarHBondContact O-N 2.91Å
12S94.5Very high91.4Very high75 Ų75102 Ų10252%0.52454%0.535SS..Hα-helixtrans-68.9-39179.5-55.10000111.7R8 D9 Y10 L16R8-S12 WeakPolarHBondContact O-CB 3.37Å; R8-S12 PolarHBondContact O-N 3.44Å; R8-S12 PolarHBondContact O-OG 3.49Å; D9-S12 PolarHBondContact O-N 3Å; Y10-S12 VanDerWaalsContact C-N 3.32Å; Y10-S12 PolarHBondContact O-N 2.93Å; S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 PolarHBondContact O-N 2.92Å
13I95.5Very high92.6Very high91 Ų91101.6 Ų101.647%0.46753%0.528SS..Hα-helixtrans-64.6-40.6172.7-67.4163000110.8D9 Y10 L16 N17D9-I13 VanDerWaalsContact O-CG1 3.31Å; D9-I13 WeakPolarHBondContact O-CG1 3.32Å; D9-I13 PolarHBondContact O-N 3.31Å; Y10-I13 PolarHBondContact O-N 2.98Å; I13-L16 PolarHBondContact O-N 3.19Å; I13-N17 VanDerWaalsContact O-CG 3.31Å; I13-N17 PolarHBondContact O-N 2.99Å
14G94.6Very high93.7Very high38 Ų3898 Ų9839%0.39252%0.517SS..Hα-helixtrans-59-50.8175.200000112.7Y10 Q11 L16 N17 E18Y10-G14 PolarHBondContact O-N 3.21Å; Q11-G14 PolarHBondContact O-N 3.02Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.04Å; G14-N17 PolarHBondContact O-N 3.22Å; G14-E18 PolarHBondContact O-N 3.32Å
15A95.8Very high94.6Very high50 Ų5099 Ų9941%0.41352%0.52SS..Hα-helixtrans-63.8-33.1176.800000113Q11 S19Q11-A15 PolarHBondContact O-N 2.91Å; A15-S19 WeakPolarHBondContact O-CB 3.39Å; A15-S19 PolarHBondContact O-N 3.38Å; A15-S19 PolarHBondContact O-OG 3.06Å
16L96.2Very high95.1Very high115 Ų115101.2 Ų101.260%0.60253%0.529SS*.Hα-helixtrans-69.3-38.6174.6-176.9140000112.1S12 I13 G14 S19 S20S12-L16 WeakPolarHBondContact O-CB 3.31Å; S12-L16 PolarHBondContact O-N 2.92Å; I13-L16 PolarHBondContact O-N 3.19Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.04Å; L16-S19 PolarHBondContact O-N 3Å; L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å
17N96.6Very high95.6Very high87 Ų87101.8 Ų101.847%0.46553%0.532SS..Hα-helixtrans-64.9-47.3174-71.6-12.2000111.3I13 G14 S19 S20 E21I13-N17 VanDerWaalsContact O-CG 3.31Å; I13-N17 PolarHBondContact O-N 2.99Å; G14-N17 PolarHBondContact O-N 3.22Å; N17-S19 VanDerWaalsContact C-N 3.3Å; N17-S19 PolarHBondContact O-N 2.9Å; N17-S20 WeakPolarHBondContact O-CA 3.49Å; N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-N 3.4Å; N17-E21 PolarHBondContact O-N 2.73Å
18E96.9Very high96.1Very high142 Ų14298.4 Ų98.466%0.66452%0.522SS*.Hα-helixtrans-58.8-41.6175.5-175.1177.3-17000111.7G14 S20 E21 L22G14-E18 PolarHBondContact O-N 3.32Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 3.46Å; E18-E21 PolarHBondContact O-N 2.97Å; E18-L22 WeakPolarHBondContact O-CB 3.33Å; E18-L22 PolarHBondContact O-N 3.5Å
19S97.3Very high96.4Very high75 Ų7595.3 Ų95.352%0.52452%0.517SS..Hα-helixtrans-64-36.3174.3-59.30000112.7A15 L16 N17 L23A15-S19 WeakPolarHBondContact O-CB 3.39Å; A15-S19 PolarHBondContact O-N 3.38Å; A15-S19 PolarHBondContact O-OG 3.06Å; L16-S19 PolarHBondContact O-N 3Å; N17-S19 VanDerWaalsContact C-N 3.3Å; N17-S19 PolarHBondContact O-N 2.9Å; S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.47Å
20S97.6Very high96.7Very high60 Ų6095.2 Ų95.242%0.4252%0.516SS..Hα-helixtrans-69.2-42.2176.5-169.70000112L16 N17 E18 L23 L24L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å; N17-S20 WeakPolarHBondContact O-CA 3.49Å; N17-S20 WeakPolarHBondContact O-CB 3.34Å; N17-S20 PolarHBondContact O-N 3.4Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 3.46Å; S20-L23 PolarHBondContact O-N 3.45Å; S20-L24 WeakPolarHBondContact O-CG 3.37Å; S20-L24 PolarHBondContact O-N 3.27Å
21E97.6Very high97Very high138 Ų13890.3 Ų90.365%0.64551%0.505SS*.Hα-helixtrans-62.2-43.4174-71.7180-175.300111.6N17 E18 L23 L24 K25N17-E21 PolarHBondContact O-N 2.73Å; E18-E21 PolarHBondContact O-N 2.97Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.96Å; E21-L24 PolarHBondContact O-N 3.5Å; E21-K25 PolarHBondContact O-N 2.94Å
22L97.6Very high97.2Very high111 Ų11189.5 Ų89.558%0.58150%0.504SS*.Hα-helixtrans-64-37.9175.3-175.961.8000112.2E18 K25 T26E18-L22 WeakPolarHBondContact O-CB 3.33Å; E18-L22 PolarHBondContact O-N 3.5Å; L22-K25 PolarHBondContact O-N 2.99Å; L22-T26 WeakPolarHBondContact O-CB 3.4Å; L22-T26 PolarHBondContact O-N 2.97Å; L22-T26 PolarHBondContact O-OG1 3.28Å
23L97.9Very high97.4Very high112 Ų11288.5 Ų88.559%0.58650%0.501SS*.Hα-helixtrans-64.9-45175.1-176.3151.4000111.5S19 S20 E21 K25 T26 L27S19-L23 WeakPolarHBondContact O-CB 3.39Å; S19-L23 PolarHBondContact O-N 3.47Å; S20-L23 PolarHBondContact O-N 3.45Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.96Å; L23-K25 PolarHBondContact O-N 3.21Å; L23-T26 PolarHBondContact O-N 3.35Å; L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.93Å
24L97.7Very high97.5Very high109 Ų10987.1 Ų87.157%0.57150%0.497SS*.Hα-helixtrans-62.7-41.2176.6-72.5172.7000112.1S20 E21 L27 G28S20-L24 WeakPolarHBondContact O-CG 3.37Å; S20-L24 PolarHBondContact O-N 3.27Å; E21-L24 PolarHBondContact O-N 3.5Å; L24-L27 PolarHBondContact O-N 2.71Å; L24-G28 PolarHBondContact O-N 3.35Å
25K98.1Very high97.7Very high137 Ų13789.4 Ų89.460%0.59650%0.5SS*.Hα-helixtrans-60.6-49.7173.2-177.6-178.5175.8-176.10111.5E21 L22 L23 L27 G28 D29E21-K25 PolarHBondContact O-N 2.94Å; L22-K25 PolarHBondContact O-N 2.99Å; L23-K25 PolarHBondContact O-N 3.21Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.46Å; K25-G28 WeakPolarHBondContact O-CA 3.44Å; K25-G28 PolarHBondContact O-N 2.92Å; K25-G28 VanDerWaalsContact O-N 3.08Å; K25-D29 PolarHBondContact O-N 3Å
26T98.2Very high97.8Very high65 Ų6592.9 Ų92.940%0.39951%0.506SS..Hα-helixtrans-60.9-38179.7-53.60000111.5L22 L23 D29 I30L22-T26 WeakPolarHBondContact O-CB 3.4Å; L22-T26 PolarHBondContact O-N 2.97Å; L22-T26 PolarHBondContact O-OG1 3.28Å; L23-T26 PolarHBondContact O-N 3.35Å; T26-D29 PolarHBondContact O-N 3.38Å; T26-I30 HydrophobicContact CG2-CD1 4.09Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.94Å
27L98.3Very high97.9Very high94 Ų9493 Ų9349%0.49251%0.505SS..Hα-helixtrans-63.3-42.7174.3-17764.4000111.6L23 L24 K25 I30 C31L23-L27 WeakPolarHBondContact O-CB 3.41Å; L23-L27 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 2.71Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.46Å; L27-I30 PolarHBondContact O-N 3.06Å; L27-C31 PolarHBondContact O-N 3.08Å; L27-C31 PolarHBondContact O-SG 3.35Å; L27-C31 VanDerWaalsContact O-SG 3.35Å
28G98.2Very high98Very high30 Ų3094.4 Ų94.431%0.30951%0.508SS..Hα-helixtrans-61-44.9173.600000112.8L24 K25 I30 C31 N32L24-G28 PolarHBondContact O-N 3.35Å; K25-G28 WeakPolarHBondContact O-CA 3.44Å; K25-G28 PolarHBondContact O-N 2.92Å; K25-G28 VanDerWaalsContact O-N 3.08Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 3.42Å; G28-C31 PolarHBondContact O-N 2.88Å; G28-N32 VanDerWaalsContact O-CG 3.26Å; G28-N32 PolarHBondContact O-N 3.3Å; G28-N32 PolarHBondContact O-ND2 3.07Å
29D98.4Very high98Very high89 Ų8992.5 Ų92.548%0.47650%0.5SS..Hα-helixtrans-61.9-40.1176.2-68.1-29.1000111.6K25 T26 N32 A33K25-D29 PolarHBondContact O-N 3Å; T26-D29 PolarHBondContact O-N 3.38Å; D29-N32 PolarHBondContact O-N 3.44Å; D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.94Å
30I98.4Very high98.1Very high94 Ų9491.9 Ų91.948%0.48249%0.489SS..Hα-helixtrans-63.7-47.7173.7-70.7164.9000111.2T26 L27 G28 N32 A33 T34T26-I30 HydrophobicContact CG2-CD1 4.09Å; T26-I30 VanDerWaalsContact O-CG1 3.27Å; T26-I30 WeakPolarHBondContact O-CG1 3.49Å; T26-I30 PolarHBondContact O-N 2.94Å; L27-I30 PolarHBondContact O-N 3.06Å; G28-I30 VanDerWaalsContact C-N 3.34Å; G28-I30 PolarHBondContact O-N 3.42Å; I30-N32 VanDerWaalsContact C-N 3.31Å; I30-N32 PolarHBondContact O-N 2.98Å; I30-A33 PolarHBondContact O-N 3.21Å; I30-T34 PolarHBondContact O-N 3.35Å; I30-T34 PolarHBondContact O-OG1 3.49Å
31C98.3Very high98.1Very high62 Ų6292 Ų9242%0.41949%0.489SS..Hα-helixtrans-58.9-42.4177.7-72.30000112L27 G28 T34 N35L27-C31 PolarHBondContact O-N 3.08Å; L27-C31 PolarHBondContact O-SG 3.35Å; L27-C31 VanDerWaalsContact O-SG 3.35Å; G28-C31 PolarHBondContact O-N 2.88Å; C31-T34 PolarHBondContact O-N 3.37Å; C31-N35 WeakPolarHBondContact O-CB 3.49Å; C31-N35 PolarHBondContact O-N 3.39Å; C31-N35 PolarHBondContact O-ND2 2.73Å; C31-N35 PolarHBondContact O-OD1 3.47Å
32N98.2Very high98.1Very high105 Ų10590.4 Ų90.456%0.56148%0.484SS*.Hα-helixtrans-63.2-43.4176.1-68.8-28.7000112G28 D29 I30 N35 F36G28-N32 VanDerWaalsContact O-CG 3.26Å; G28-N32 PolarHBondContact O-N 3.3Å; G28-N32 PolarHBondContact O-ND2 3.07Å; D29-N32 PolarHBondContact O-N 3.44Å; I30-N32 VanDerWaalsContact C-N 3.31Å; I30-N32 PolarHBondContact O-N 2.98Å; N32-N35 PolarHBondContact O-N 2.88Å; N32-F36 PolarHBondContact O-N 3.42Å
33A98.4Very high98.2Very high55 Ų5589.1 Ų89.146%0.45547%0.471SS..Hα-helixtrans-65.5-39.9177.100000112.6D29 I30 M37D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.94Å; I30-A33 PolarHBondContact O-N 3.21Å; A33-M37 WeakPolarHBondContact O-CB 3.46Å; A33-M37 VanDerWaalsContact O-CG 3.28Å; A33-M37 WeakPolarHBondContact O-CG 3.44Å; A33-M37 PolarHBondContact O-N 2.92Å
34T98.2Very high98.2Very high62 Ų6288.4 Ų88.438%0.3847%0.468SS..Hα-helixtrans-63.8-48.4175-63.70000111.2I30 C31 F36 M37 E38I30-T34 PolarHBondContact O-N 3.35Å; I30-T34 PolarHBondContact O-OG1 3.49Å; C31-T34 PolarHBondContact O-N 3.37Å; T34-F36 VanDerWaalsContact C-N 3.32Å; T34-F36 PolarHBondContact O-N 3.01Å; T34-M37 WeakPolarHBondContact O-CB 3.46Å; T34-M37 PolarHBondContact O-N 3.1Å; T34-M37 VanDerWaalsContact O-N 3.1Å; T34-E38 HydrophobicContact CG2-CG 4.46Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.28Å; T34-E38 WeakPolarHBondContact O-CG 3.36Å; T34-E38 PolarHBondContact O-N 3.19Å
35N97.9Very high98.2Very high86 Ų8687.4 Ų87.446%0.4647%0.466SS..Hα-helixtrans-58.3-43.7178.1-67.4-14.4000111.7C31 N32 M37 E38 E39C31-N35 WeakPolarHBondContact O-CB 3.49Å; C31-N35 PolarHBondContact O-N 3.39Å; C31-N35 PolarHBondContact O-ND2 2.73Å; C31-N35 PolarHBondContact O-OD1 3.47Å; N32-N35 PolarHBondContact O-N 2.88Å; N35-M37 PolarHBondContact O-N 3.16Å; N35-E38 PolarHBondContact O-N 3.27Å; N35-E39 PolarHBondContact O-N 3.16Å
36F98.2Very high98.2Very high122 Ų12286.5 Ų86.554%0.53546%0.464SS..Hα-helixtrans-60.9-43.6175175.8-93000112.3N32 T34 E38 E39 E40N32-F36 PolarHBondContact O-N 3.42Å; T34-F36 VanDerWaalsContact C-N 3.32Å; T34-F36 PolarHBondContact O-N 3.01Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.31Å; F36-E39 PolarHBondContact O-N 3.49Å; F36-E40 WeakPolarHBondContact O-CB 3.47Å; F36-E40 PolarHBondContact O-N 3.49Å
37M98.1Very high98.2Very high117 Ų11790.2 Ų90.258%0.57647%0.472SS*.Hα-helixtrans-64.5-35.8177.2-76.8-69.1-58.700112.7A33 T34 N35 S41A33-M37 WeakPolarHBondContact O-CB 3.46Å; A33-M37 VanDerWaalsContact O-CG 3.28Å; A33-M37 WeakPolarHBondContact O-CG 3.44Å; A33-M37 PolarHBondContact O-N 2.92Å; T34-M37 WeakPolarHBondContact O-CB 3.46Å; T34-M37 PolarHBondContact O-N 3.1Å; T34-M37 VanDerWaalsContact O-N 3.1Å; N35-M37 PolarHBondContact O-N 3.16Å; M37-S41 WeakPolarHBondContact O-CB 3.31Å; M37-S41 PolarHBondContact O-N 3.22Å; M37-S41 PolarHBondContact O-OG 3.2Å
38E98.3Very high98.2Very high117 Ų11792.3 Ų92.355%0.54748%0.479SS..Hα-helixtrans-68.4-47.2175.5-72.7178.4-171.100111.5T34 N35 F36 E40 S41 I42T34-E38 HydrophobicContact CG2-CG 4.46Å; T34-E38 WeakPolarHBondContact CG2-OE1 3.28Å; T34-E38 WeakPolarHBondContact O-CG 3.36Å; T34-E38 PolarHBondContact O-N 3.19Å; N35-E38 PolarHBondContact O-N 3.27Å; F36-E38 VanDerWaalsContact C-N 3.34Å; F36-E38 PolarHBondContact O-N 3.31Å; E38-E40 PolarHBondContact O-N 3.36Å; E38-S41 PolarHBondContact O-N 3.4Å; E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 3.01Å; E38-I42 VanDerWaalsContact O-N 3.14Å
39E98Very high98.2Very high103 Ų10393.8 Ų93.848%0.48148%0.482SS..Hα-helixtrans-58-46.2174-75.5-173.4-165.800112.3N35 F36 S41 I42 R43N35-E39 PolarHBondContact O-N 3.16Å; F36-E39 PolarHBondContact O-N 3.49Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 3.46Å; E39-I42 WeakPolarHBondContact O-CB 3.33Å; E39-I42 PolarHBondContact O-N 3.48Å; E39-R43 PolarHBondContact O-N 2.9Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-CZ 2.61Å; E39-R43 IonicContact OE2-NH2 2.6Å; E39-R43 PolarHBondContact OE2-NH2 2.95Å
40E98.2Very high98.2Very high62 Ų6294.9 Ų94.929%0.2948%0.484SS..Hα-helixtrans-67.6-35.7-178.9-169.458.6-161.600111.7F36 E38 I42 R43 L44F36-E40 WeakPolarHBondContact O-CB 3.47Å; F36-E40 PolarHBondContact O-N 3.49Å; E38-E40 PolarHBondContact O-N 3.36Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.91Å; E40-R43 PolarHBondContact O-N 3.37Å; E40-R43 IonicContact OE2-CZ 3.76Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 3.48Å; E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.48Å
41S98.3Very high98.2Very high62 Ų6295.9 Ų95.943%0.43449%0.488SS..Hα-helixtrans-60.3-38.2172.7-61.80000112M37 E38 E39 V45M37-S41 WeakPolarHBondContact O-CB 3.31Å; M37-S41 PolarHBondContact O-N 3.22Å; M37-S41 PolarHBondContact O-OG 3.2Å; E38-S41 PolarHBondContact O-N 3.4Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-S41 PolarHBondContact O-N 3.46Å; S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 3.46Å
42I98.2Very high98.2Very high105 Ų10599.7 Ų99.754%0.53849%0.494SS..Hα-helixtrans-66.7-43.8175.1-65.1164.5000110.9E38 E39 E40 V45 Q46E38-I42 WeakPolarHBondContact O-CG1 3.49Å; E38-I42 PolarHBondContact O-N 3.01Å; E38-I42 VanDerWaalsContact O-N 3.14Å; E39-I42 WeakPolarHBondContact O-CB 3.33Å; E39-I42 PolarHBondContact O-N 3.48Å; E40-I42 VanDerWaalsContact C-N 3.28Å; E40-I42 PolarHBondContact O-N 2.91Å; I42-V45 PolarHBondContact O-N 3.08Å; I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 2.99Å; I42-Q46 VanDerWaalsContact O-N 3.14Å
43R98.1Very high98.1Very high83 Ų8397.7 Ų97.731%0.31349%0.487SS..Hα-helixtrans-62.3-42.4177-65.8-178.1-164.611310.6112.2E39 E40 V45 Q46 Y47E39-R43 PolarHBondContact O-N 2.9Å; E39-R43 VanDerWaalsContact O-N 3.08Å; E39-R43 IonicContact OE2-CZ 2.61Å; E39-R43 IonicContact OE2-NH2 2.6Å; E39-R43 PolarHBondContact OE2-NH2 2.95Å; E40-R43 PolarHBondContact O-N 3.37Å; E40-R43 IonicContact OE2-CZ 3.76Å; E40-R43 IonicContact OE2-NH1 2.73Å; E40-R43 PolarHBondContact OE2-NH1 3.48Å; R43-V45 VanDerWaalsContact C-N 3.34Å; R43-V45 PolarHBondContact O-N 3.45Å; R43-Q46 WeakPolarHBondContact O-CB 3.27Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; R43-Y47 HydrophobicContact CB-CE2 4.05Å; R43-Y47 VanDerWaalsContact O-CD2 3.25Å; R43-Y47 WeakPolarHBondContact O-CD2 3.26Å; R43-Y47 PolarHBondContact O-N 3.2Å
44L98.5Very high98.1Very high98 Ų9899 Ų9951%0.51349%0.486SS..Hα-helixtrans-59.9-41.7177.4-71.9171.6000112.2E40 Q46 Y47 E48E40-L44 HydrophobicContact CG-CD1 4.47Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.47Å; E40-L44 PolarHBondContact O-N 3.48Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.15Å; L44-Y47 PolarHBondContact O-N 3.28Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.68Å
45V98.4Very high98Very high87 Ų87100.4 Ų100.453%0.52749%0.491SS..Hα-helixtrans-66-34.3175.5172.80000112S41 I42 R43 T49S41-V45 WeakPolarHBondContact O-CG2 3.43Å; S41-V45 PolarHBondContact O-N 3.46Å; I42-V45 PolarHBondContact O-N 3.08Å; R43-V45 VanDerWaalsContact C-N 3.34Å; R43-V45 PolarHBondContact O-N 3.45Å; V45-T49 WeakPolarHBondContact O-CB 3.42Å; V45-T49 PolarHBondContact O-N 3.31Å; V45-T49 PolarHBondContact O-OG1 3.3Å
46Q97.5Very high98Very high118 Ų118100.8 Ų100.855%0.55149%0.493SS*.Hα-helixtrans-65.5-46.7173.2-68.5171.4-0.800111.1I42 R43 L44 E48 T49 E50I42-Q46 WeakPolarHBondContact O-CG 3.48Å; I42-Q46 PolarHBondContact O-N 2.99Å; I42-Q46 VanDerWaalsContact O-N 3.14Å; R43-Q46 WeakPolarHBondContact O-CB 3.27Å; R43-Q46 PolarHBondContact O-N 3.14Å; R43-Q46 VanDerWaalsContact O-N 3.12Å; L44-Q46 VanDerWaalsContact C-N 3.33Å; L44-Q46 PolarHBondContact O-N 3.15Å; Q46-E48 PolarHBondContact O-N 3.39Å; Q46-T49 PolarHBondContact O-N 3.31Å; Q46-E50 PolarHBondContact O-N 3.34Å
47Y98.6Very high97.9Very high144 Ų144100.2 Ų100.257%0.56549%0.492SS*.Hα-helixtrans-64.8-38177.1-60.8-40.9000113R43 L44 T49 E50 M51R43-Y47 HydrophobicContact CB-CE2 4.05Å; R43-Y47 VanDerWaalsContact O-CD2 3.25Å; R43-Y47 WeakPolarHBondContact O-CD2 3.26Å; R43-Y47 PolarHBondContact O-N 3.2Å; L44-Y47 PolarHBondContact O-N 3.28Å; Y47-T49 VanDerWaalsContact C-N 3.35Å; Y47-E50 PolarHBondContact O-N 3.46Å; Y47-M51 VanDerWaalsContact O-CB 3.25Å; Y47-M51 WeakPolarHBondContact O-CB 3.43Å; Y47-M51 PolarHBondContact O-N 2.61Å
48E98.3Very high97.9Very high138 Ų138101 Ų10165%0.64549%0.489SS*.Hα-helixtrans-64.8-38.8174-176.9173.3-165.800111.9L44 Q46 R52L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.68Å; Q46-E48 PolarHBondContact O-N 3.39Å; E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.1Å
49T98.1Very high97.8Very high60 Ų6098.6 Ų98.637%0.36848%0.484SS..Hα-helixtrans-66.6-46.6175.8-59.60000111.5V45 Q46 Y47 R52 C53V45-T49 WeakPolarHBondContact O-CB 3.42Å; V45-T49 PolarHBondContact O-N 3.31Å; V45-T49 PolarHBondContact O-OG1 3.3Å; Q46-T49 PolarHBondContact O-N 3.31Å; Y47-T49 VanDerWaalsContact C-N 3.35Å; T49-R52 PolarHBondContact O-N 2.57Å; T49-C53 PolarHBondContact O-N 3.12Å; T49-C53 PolarHBondContact O-SG 3.41Å
50E98.1Very high97.8Very high112 Ų11299.7 Ų99.752%0.52349%0.488SS..Hα-helixtrans-62-44.7177.2-173.264.3-166.100111.4Q46 Y47 R52 C53 L54Q46-E50 PolarHBondContact O-N 3.34Å; Y47-E50 PolarHBondContact O-N 3.46Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 2.97Å; E50-C53 PolarHBondContact O-N 3.03Å; E50-C53 VanDerWaalsContact O-N 3.12Å; E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.44Å
51M98.4Very high97.8Very high115 Ų115100.7 Ų100.757%0.56749%0.494SS*.Hα-helixtrans-56.6-41175.6-173.464.462.200111.9Y47 L54 L55Y47-M51 VanDerWaalsContact O-CB 3.25Å; Y47-M51 WeakPolarHBondContact O-CB 3.43Å; Y47-M51 PolarHBondContact O-N 2.61Å; M51-L54 PolarHBondContact O-N 2.93Å; M51-L55 HydrophobicContact CG-CD1 4.49Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 3.32Å
52R97.8Very high97.7Very high143 Ų143101 Ų10154%0.5449%0.49SS..Hα-helixtrans-66.2-44.3175.9-177.8162.654.591.10.3111.8E48 T49 E50 L54 L55 D56E48-R52 PolarHBondContact O-N 3.06Å; E48-R52 VanDerWaalsContact O-N 3.1Å; T49-R52 PolarHBondContact O-N 2.57Å; E50-R52 VanDerWaalsContact C-N 3.26Å; E50-R52 PolarHBondContact O-N 2.97Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.35Å; R52-L55 PolarHBondContact O-N 2.99Å; R52-D56 VanDerWaalsContact O-CG 3.31Å; R52-D56 PolarHBondContact O-N 3.32Å
53C96.6Very high97.7Very high62 Ų6298.5 Ų98.542%0.41948%0.483SS..Hα-helixtrans-59.4-40.4175-69.70000112.7T49 E50 D56 E57T49-C53 PolarHBondContact O-N 3.12Å; T49-C53 PolarHBondContact O-SG 3.41Å; E50-C53 PolarHBondContact O-N 3.03Å; E50-C53 VanDerWaalsContact O-N 3.12Å; C53-D56 PolarHBondContact O-N 3.14Å; C53-E57 WeakPolarHBondContact O-CB 3.45Å; C53-E57 PolarHBondContact O-N 3.48Å
54L98.3Very high97.6Very high83 Ų8398.6 Ų98.644%0.43549%0.487SS..Hα-helixtrans-67.2-34.2175.9-68.1169.9000112.9E50 M51 R52 R58E50-L54 HydrophobicContact CG-CD1 4.31Å; E50-L54 WeakPolarHBondContact O-CG 3.39Å; E50-L54 PolarHBondContact O-N 3.44Å; M51-L54 PolarHBondContact O-N 2.93Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.35Å; L54-R58 VanDerWaalsContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.26Å
55L96.9Very high97.6Very high91 Ų9198.4 Ų98.448%0.47649%0.486SS..Hα-helixtrans-70.1-37.3173.9-72.4170.9000112.2M51 R52 S59M51-L55 HydrophobicContact CG-CD1 4.49Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 3.32Å; R52-L55 PolarHBondContact O-N 2.99Å; L55-S59 WeakPolarHBondContact O-CB 3.29Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 3.02Å
56D97.4Very high97.5Very high95 Ų95100.5 Ų100.551%0.50849%0.49SS..Hα-helixtrans-65.9-45.3173.7-65.7-23.8000110.5R52 C53 S59 F60R52-D56 VanDerWaalsContact O-CG 3.31Å; R52-D56 PolarHBondContact O-N 3.32Å; C53-D56 PolarHBondContact O-N 3.14Å; D56-S59 WeakPolarHBondContact O-CB 3.42Å; D56-S59 PolarHBondContact O-N 2.9Å; D56-F60 PolarHBondContact O-N 3.05Å
57E96.7Very high97.4Very high110 Ų11098.7 Ų98.751%0.51448%0.484SS..Hα-helixtrans-61.5-45.3175.2-178.1172.9-163.400112.1C53 S59 F60 I61C53-E57 WeakPolarHBondContact O-CB 3.45Å; C53-E57 PolarHBondContact O-N 3.48Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.27Å; E57-F60 WeakPolarHBondContact O-CB 3.4Å; E57-F60 PolarHBondContact O-N 3.39Å; E57-I61 HydrophobicContact CG-CD1 3.95Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 2.89Å
58R97.9Very high97.3Very high134 Ų13495.4 Ų95.451%0.50648%0.478SS..Hα-helixtrans-56.5-42.1173.3177-178.2172.5-80.2-2.7111.6L54 I61 L62L54-R58 VanDerWaalsContact O-CB 3.32Å; L54-R58 WeakPolarHBondContact O-CB 3.43Å; L54-R58 PolarHBondContact O-N 3.26Å; R58-I61 PolarHBondContact O-N 2.86Å; R58-L62 HydrophobicContact CG-CD1 4.28Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.01Å
59S96.4Very high97.3Very high66 Ų6693.6 Ų93.646%0.46247%0.47SS..Hα-helixtrans-68.1-39-179.7-56.70000111.6L55 D56 E57 S63L55-S59 WeakPolarHBondContact O-CB 3.29Å; L55-S59 PolarHBondContact O-N 3.02Å; L55-S59 PolarHBondContact O-OG 3.02Å; D56-S59 WeakPolarHBondContact O-CB 3.42Å; D56-S59 PolarHBondContact O-N 2.9Å; E57-S59 VanDerWaalsContact C-N 3.26Å; E57-S59 PolarHBondContact O-N 3.27Å; S59-S63 PolarHBondContact O-N 2.92Å
60F97.7Very high97.2Very high126 Ų12696.4 Ų96.455%0.55348%0.479SS*.Hα-helixtrans-61.6-47.9171.4174-98.2000112.1D56 E57 L62 S63 Q64D56-F60 PolarHBondContact O-N 3.05Å; E57-F60 WeakPolarHBondContact O-CB 3.4Å; E57-F60 PolarHBondContact O-N 3.39Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.21Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 2.91Å; F60-S63 VanDerWaalsContact O-N 3.14Å; F60-Q64 HydrophobicContact CD1-CG 4.23Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CE2-CG 4.2Å; F60-Q64 HydrophobicContact CZ-CG 3.71Å; F60-Q64 WeakPolarHBondContact O-CG 3.4Å; F60-Q64 PolarHBondContact O-N 2.8Å
61I97.6Very high97.2Very high82 Ų8295.6 Ų95.642%0.42148%0.478SS..Hα-helixtrans-60.3-42.2179.4-68.7166.9000111.3E57 R58 S63 Q64 L65E57-I61 HydrophobicContact CG-CD1 3.95Å; E57-I61 WeakPolarHBondContact O-CG1 3.46Å; E57-I61 PolarHBondContact O-N 2.89Å; R58-I61 PolarHBondContact O-N 2.86Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.29Å; I61-Q64 PolarHBondContact O-N 3.02Å; I61-Q64 VanDerWaalsContact O-N 3.15Å; I61-L65 HydrophobicContact CG2-CD1 4.28Å; I61-L65 WeakPolarHBondContact O-CG 3.29Å; I61-L65 PolarHBondContact O-N 3.3Å
62L97Very high97.1Very high68 Ų6895.3 Ų95.336%0.35648%0.478SS..Hα-helixtrans-61.2-40.1175.9-72.2170.2000112.2R58 F60 L65 Q66R58-L62 HydrophobicContact CG-CD1 4.28Å; R58-L62 WeakPolarHBondContact O-CG 3.36Å; R58-L62 PolarHBondContact O-N 3.01Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-L62 PolarHBondContact O-N 3.21Å; L62-L65 PolarHBondContact O-N 2.92Å; L62-Q66 PolarHBondContact O-N 3.33Å
63S96.9Very high97.1Very high54 Ų5491.8 Ų91.838%0.37848%0.475SS..Hα-helixtrans-64.7-37173.6173.90000112.6S59 F60 I61 Q66 N67S59-S63 PolarHBondContact O-N 2.92Å; F60-S63 WeakPolarHBondContact O-CB 3.38Å; F60-S63 PolarHBondContact O-N 2.91Å; F60-S63 VanDerWaalsContact O-N 3.14Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.29Å; S63-Q66 PolarHBondContact O-N 3.25Å; S63-N67 PolarHBondContact O-N 3.5Å; S63-N67 PolarHBondContact O-ND2 3.07Å
64Q96.9Very high97Very high85 Ų8591.9 Ų91.940%0.39747%0.474SS..Hα-helixtrans-67.4-39.6174.9-63.2-53.8-70.900112.2F60 I61 N67 V68F60-Q64 HydrophobicContact CD1-CG 4.23Å; F60-Q64 HydrophobicContact CE1-CG 3.74Å; F60-Q64 HydrophobicContact CE2-CG 4.2Å; F60-Q64 HydrophobicContact CZ-CG 3.71Å; F60-Q64 WeakPolarHBondContact O-CG 3.4Å; F60-Q64 PolarHBondContact O-N 2.8Å; I61-Q64 PolarHBondContact O-N 3.02Å; I61-Q64 VanDerWaalsContact O-N 3.15Å; Q64-N67 PolarHBondContact O-N 2.93Å; Q64-V68 WeakPolarHBondContact O-CG2 3.46Å; Q64-V68 PolarHBondContact O-N 3.12Å; Q64-V68 VanDerWaalsContact O-N 3.1Å
65L97.6Very high97Very high93 Ų9393 Ų9349%0.48748%0.48SS..Hα-helixtrans-62-42.7175-71.4171.2000111.6I61 L62 N67 V68 E69I61-L65 HydrophobicContact CG2-CD1 4.28Å; I61-L65 WeakPolarHBondContact O-CG 3.29Å; I61-L65 PolarHBondContact O-N 3.3Å; L62-L65 PolarHBondContact O-N 2.92Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.49Å; L65-V68 PolarHBondContact O-N 2.74Å; L65-V68 VanDerWaalsContact O-N 3.09Å; L65-E69 WeakPolarHBondContact O-CG 3.46Å; L65-E69 PolarHBondContact O-N 3.1Å
66Q97.9Very high96.9Very high132 Ų13289.7 Ų89.762%0.61747%0.468SS*.Hα-helixtrans-62-35.2176.8-167.4179-0.700112.6L62 S63 Q70L62-Q66 PolarHBondContact O-N 3.33Å; S63-Q66 PolarHBondContact O-N 3.25Å; Q66-Q70 PolarHBondContact O-N 3.41Å; Q66-Q70 VanDerWaalsContact O-N 3.11Å
67N94.4Very high96.7Very high79 Ų7987.4 Ų87.442%0.42246%0.462SS..Hα-helixtrans-65.4-43.8172.2-66-22.5000111.4S63 Q64 L65 E69 Q70 D71S63-N67 PolarHBondContact O-N 3.5Å; S63-N67 PolarHBondContact O-ND2 3.07Å; Q64-N67 PolarHBondContact O-N 2.93Å; L65-N67 VanDerWaalsContact C-N 3.29Å; L65-N67 PolarHBondContact O-N 3.49Å; N67-E69 VanDerWaalsContact C-N 3.33Å; N67-E69 PolarHBondContact O-N 3.23Å; N67-Q70 WeakPolarHBondContact O-CB 3.25Å; N67-Q70 PolarHBondContact O-N 3.27Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; N67-D71 PolarHBondContact O-N 3.41Å
68V97.2Very high96.7Very high75 Ų7587 Ų8746%0.45546%0.462SS..Hα-helixtrans-62.7-38.9177.1173.20000111.6Q64 L65 Q70 D71 I72Q64-V68 WeakPolarHBondContact O-CG2 3.46Å; Q64-V68 PolarHBondContact O-N 3.12Å; Q64-V68 VanDerWaalsContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.74Å; L65-V68 VanDerWaalsContact O-N 3.09Å; V68-Q70 VanDerWaalsContact C-N 3.35Å; V68-D71 PolarHBondContact O-N 3.48Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 HydrophobicContact CG1-CG1 4.42Å; V68-I72 WeakPolarHBondContact O-CB 3.12Å; V68-I72 VanDerWaalsContact O-CG1 3.24Å; V68-I72 WeakPolarHBondContact O-CG1 3.33Å; V68-I72 PolarHBondContact O-N 3.36Å
69E97.2Very high96.6Very high100 Ų10084 Ų8447%0.46746%0.459SS..Hα-helixtrans-62.6-39.6173.7-71.2174.2168.100112.2L65 N67 S73L65-E69 WeakPolarHBondContact O-CG 3.46Å; L65-E69 PolarHBondContact O-N 3.1Å; N67-E69 VanDerWaalsContact C-N 3.33Å; N67-E69 PolarHBondContact O-N 3.23Å; E69-S73 WeakPolarHBondContact O-CB 3.45Å; E69-S73 PolarHBondContact O-N 3.21Å; E69-S73 PolarHBondContact O-OG 3.45Å
70Q96.9Very high96.5Very high119 Ų11988.1 Ų88.156%0.55646%0.464SS*.Hα-helixtrans-68.3-39.7174.8-178.158.146.400112.2Q66 N67 V68 S73 T74Q66-Q70 PolarHBondContact O-N 3.41Å; Q66-Q70 VanDerWaalsContact O-N 3.11Å; N67-Q70 WeakPolarHBondContact O-CB 3.25Å; N67-Q70 PolarHBondContact O-N 3.27Å; N67-Q70 VanDerWaalsContact O-N 3.16Å; V68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-S73 PolarHBondContact O-N 3.43Å; Q70-T74 PolarHBondContact NE2-OG1 3.35Å; Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 PolarHBondContact O-OG1 2.92Å
71D97.7Very high96.4Very high96 Ų9686.6 Ų86.651%0.51346%0.459SS..Hα-helixtrans-65.3-44.9176.1-72.5-20000111.2N67 V68 S73 T74 L75N67-D71 PolarHBondContact O-N 3.41Å; V68-D71 PolarHBondContact O-N 3.48Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 2.79Å; D71-T74 PolarHBondContact O-N 3.48Å; D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 WeakPolarHBondContact O-CG 3.33Å; D71-L75 PolarHBondContact O-N 3.03Å
72I96.6Very high96.2Very high109 Ų10985.5 Ų85.556%0.55946%0.462SS*.Hα-helixtrans-57.9-45.1173.4-71.4165.7000110.5V68 T74 L75 G76V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 HydrophobicContact CG1-CG1 4.42Å; V68-I72 WeakPolarHBondContact O-CB 3.12Å; V68-I72 VanDerWaalsContact O-CG1 3.24Å; V68-I72 WeakPolarHBondContact O-CG1 3.33Å; V68-I72 PolarHBondContact O-N 3.36Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.46Å; I72-L75 PolarHBondContact O-N 2.96Å; I72-G76 PolarHBondContact O-N 2.92Å
73S96.4Very high96Very high69 Ų6988.2 Ų88.248%0.48347%0.468SS..Hα-helixtrans-62.1-40.9178.3-61.20000112.1E69 Q70 D71 G76 A77E69-S73 WeakPolarHBondContact O-CB 3.45Å; E69-S73 PolarHBondContact O-N 3.21Å; E69-S73 PolarHBondContact O-OG 3.45Å; Q70-S73 PolarHBondContact O-N 3.43Å; D71-S73 VanDerWaalsContact C-N 3.31Å; D71-S73 PolarHBondContact O-N 2.79Å; S73-G76 PolarHBondContact O-N 3.33Å; S73-A77 PolarHBondContact O-N 2.98Å; S73-A77 VanDerWaalsContact O-N 3.1Å
74T96.3Very high95.9Very high63 Ų6387.8 Ų87.839%0.38747%0.465SS..Hα-helixtrans-68.5-47.5178.6-55.10000111.2Q70 D71 I72 G76 A77 I78Q70-T74 PolarHBondContact NE2-OG1 3.35Å; Q70-T74 WeakPolarHBondContact O-CB 3.42Å; Q70-T74 PolarHBondContact O-N 2.98Å; Q70-T74 PolarHBondContact O-OG1 2.92Å; D71-T74 PolarHBondContact O-N 3.48Å; I72-T74 VanDerWaalsContact C-N 3.32Å; I72-T74 PolarHBondContact O-N 3.46Å; T74-G76 VanDerWaalsContact C-N 3.33Å; T74-G76 PolarHBondContact O-N 3.08Å; T74-A77 WeakPolarHBondContact O-CB 3.49Å; T74-A77 PolarHBondContact O-N 3.4Å; T74-A77 VanDerWaalsContact O-N 3.17Å; T74-I78 HydrophobicContact CG2-CD1 4.21Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.05Å
75L96.8Very high95.8Very high106 Ų10686.2 Ų86.256%0.55546%0.459SS*.Hα-helixtrans-60.7-41.3174.4-72171.8000111.7D71 I72 A77 I78 V79D71-L75 WeakPolarHBondContact O-CB 3.32Å; D71-L75 WeakPolarHBondContact O-CG 3.33Å; D71-L75 PolarHBondContact O-N 3.03Å; I72-L75 PolarHBondContact O-N 2.96Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.17Å; L75-I78 PolarHBondContact O-N 3.23Å; L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 3.07Å
76G94.5Very high95.5Very high23 Ų2385.5 Ų85.524%0.23745%0.45CS..Hα-helixtrans-59.8-38.2174.700000112.9I72 S73 T74 R80I72-G76 PolarHBondContact O-N 2.92Å; S73-G76 PolarHBondContact O-N 3.33Å; T74-G76 VanDerWaalsContact C-N 3.33Å; T74-G76 PolarHBondContact O-N 3.08Å; G76-R80 WeakPolarHBondContact O-CG 3.21Å; G76-R80 PolarHBondContact O-N 3.18Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G76-R80 PolarHBondContact O-NH1 2.79Å
77A94.4Very high95.1Very high46 Ų4682.1 Ų82.138%0.3844%0.436SS..Hα-helixtrans-67.1-44173.500000112.2S73 T74 L75 V79 R80 Q81S73-A77 PolarHBondContact O-N 2.98Å; S73-A77 VanDerWaalsContact O-N 3.1Å; T74-A77 WeakPolarHBondContact O-CB 3.49Å; T74-A77 PolarHBondContact O-N 3.4Å; T74-A77 VanDerWaalsContact O-N 3.17Å; L75-A77 VanDerWaalsContact C-N 3.3Å; L75-A77 PolarHBondContact O-N 3.17Å; A77-V79 PolarHBondContact O-N 3.4Å; A77-R80 PolarHBondContact O-N 2.84Å; A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 PolarHBondContact O-N 3.26Å
78I96.6Very high95.1Very high101 Ų10183.6 Ų83.652%0.51844%0.439SS..Hα-helixtrans-61.3-44.2177.1-66.7165.1000111.2T74 L75 Q81 A82T74-I78 HydrophobicContact CG2-CD1 4.21Å; T74-I78 WeakPolarHBondContact O-CG1 3.21Å; T74-I78 PolarHBondContact O-N 3.05Å; L75-I78 PolarHBondContact O-N 3.23Å; I78-Q81 PolarHBondContact O-N 3.21Å; I78-A82 WeakPolarHBondContact O-CB 3.36Å; I78-A82 PolarHBondContact O-N 3.4Å
79V95.4Very high94.7Very high71 Ų7182.8 Ų82.843%0.4344%0.436SS..Hα-helixtrans-63-43.9177.8170.50000111.4L75 A77 Q81 A82 W83 I140L75-V79 WeakPolarHBondContact O-CG2 3.41Å; L75-V79 PolarHBondContact O-N 3.07Å; A77-V79 PolarHBondContact O-N 3.4Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 2.86Å; V79-A82 PolarHBondContact O-N 2.97Å; V79-W83 WeakPolarHBondContact O-CB 3.34Å; V79-W83 PolarHBondContact O-N 3.18Å; V79-I140 HydrophobicContact CG1-CG2 4.23Å
80R94.9Very high94.3Very high154 Ų15479.3 Ų79.358%0.58142%0.422SS*.Hα-helixtrans-61.3-42174.8-74.2-174.6-63.1-93.83.5112.1G76 A77 W83 S84G76-R80 WeakPolarHBondContact O-CG 3.21Å; G76-R80 PolarHBondContact O-N 3.18Å; G76-R80 VanDerWaalsContact O-N 3.14Å; G76-R80 PolarHBondContact O-NH1 2.79Å; A77-R80 PolarHBondContact O-N 2.84Å; R80-W83 PolarHBondContact O-N 3.05Å; R80-S84 PolarHBondContact O-N 2.98Å
81Q95.2Very high93.9Very high94 Ų9480 Ų8044%0.43942%0.423SS..Hα-helixtrans-63.5-48.7176.5-178.459.63700111.5A77 I78 V79 W83 S84 D85A77-Q81 WeakPolarHBondContact O-CB 3.47Å; A77-Q81 PolarHBondContact O-N 3.26Å; I78-Q81 PolarHBondContact O-N 3.21Å; V79-Q81 VanDerWaalsContact C-N 3.35Å; V79-Q81 PolarHBondContact O-N 2.86Å; Q81-W83 VanDerWaalsContact C-N 3.29Å; Q81-W83 PolarHBondContact O-N 3.4Å; Q81-S84 WeakPolarHBondContact O-CB 3.49Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 VanDerWaalsContact O-N 3.1Å; Q81-D85 VanDerWaalsContact NE2-CG 3.28Å; Q81-D85 PolarHBondContact NE2-OD1 3.07Å; Q81-D85 PolarHBondContact NE2-OD2 2.93Å; Q81-D85 PolarHBondContact O-N 3.33Å
82A93.8Very high93.7Very high59 Ų5978 Ų7849%0.48842%0.416SS..Hα-helixtrans-60.4-36.8177.700000112.6I78 V79 R86I78-A82 WeakPolarHBondContact O-CB 3.36Å; I78-A82 PolarHBondContact O-N 3.4Å; V79-A82 PolarHBondContact O-N 2.97Å; A82-R86 VanDerWaalsContact O-CB 3.26Å; A82-R86 WeakPolarHBondContact O-CB 3.37Å; A82-R86 PolarHBondContact O-N 2.74Å
83W93.3Very high93.4Very high124 Ų12477.3 Ų77.347%0.4741%0.413SS..Hα-helixtrans-68.4-39.4174.4-164.985.5000112.2V79 R80 Q81 N87 T137V79-W83 WeakPolarHBondContact O-CB 3.34Å; V79-W83 PolarHBondContact O-N 3.18Å; R80-W83 PolarHBondContact O-N 3.05Å; Q81-W83 VanDerWaalsContact C-N 3.29Å; Q81-W83 PolarHBondContact O-N 3.4Å; W83-N87 WeakPolarHBondContact CH2-ND2 3.43Å; W83-N87 WeakPolarHBondContact CZ3-ND2 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.28Å; W83-N87 PolarHBondContact O-N 2.62Å; W83-N87 PolarHBondContact O-ND2 3.41Å; W83-T137 HydrophobicContact CZ2-CG2 3.87Å
84S93.8Very high93.1Very high45 Ų4578.1 Ų78.132%0.31541%0.409SS..Hα-helixtrans-60.4-47.6172.2-173.30000112R80 Q81 N87 K88R80-S84 PolarHBondContact O-N 2.98Å; Q81-S84 WeakPolarHBondContact O-CB 3.49Å; Q81-S84 PolarHBondContact O-N 2.9Å; Q81-S84 VanDerWaalsContact O-N 3.1Å; S84-N87 PolarHBondContact O-N 3.29Å; S84-N87 VanDerWaalsContact O-N 3.16Å; S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 3.21Å; S84-K88 WeakPolarHBondContact OG-CE 3.33Å
85D94.2Very high93Very high53 Ų5381.5 Ų81.528%0.28342%0.415SS..Hα-helixtrans-70-34.8-179.5-66.3-30.9000112.7Q81 N87 K88 S89Q81-D85 VanDerWaalsContact NE2-CG 3.28Å; Q81-D85 PolarHBondContact NE2-OD1 3.07Å; Q81-D85 PolarHBondContact NE2-OD2 2.93Å; Q81-D85 PolarHBondContact O-N 3.33Å; D85-N87 VanDerWaalsContact C-N 3.34Å; D85-K88 PolarHBondContact O-N 3.04Å; D85-K88 IonicContact OD1-NZ 3.33Å; D85-K88 PolarHBondContact OD1-NZ 3.23Å; D85-S89 PolarHBondContact O-N 3.41Å; D85-S89 PolarHBondContact O-OG 2.78Å
86R93.1Very high92.9Very high78 Ų7880.9 Ų80.929%0.29441%0.411SS..Hα-helixtrans-57.6-45.4166.9176.6-174.5168.1117.913.9111.5A82 S89 V90 H133A82-R86 VanDerWaalsContact O-CB 3.26Å; A82-R86 WeakPolarHBondContact O-CB 3.37Å; A82-R86 PolarHBondContact O-N 2.74Å; R86-S89 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-OG 3.22Å; R86-V90 WeakPolarHBondContact O-CB 3.29Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.31Å; R86-V90 PolarHBondContact O-N 3.39Å; R86-H133 PolarHBondContact NH1-CD2 2.61Å; R86-H133 VanDerWaalsContact NH1-CD2 3.27Å; R86-H133 PolarHBondContact NH1-CE1 3.26Å; R86-H133 VanDerWaalsContact NH1-CG 3.33Å; R86-H133 PolarHBondContact NH1-ND1 3.41Å; R86-H133 PolarHBondContact NH1-NE2 3.34Å; R86-H133 PolarHBondContact NH2-CD2 3.04Å; R86-H133 VanDerWaalsContact NH2-CG 3.34Å
87N88.7Confident92.8Very high60 Ų6082.1 Ų82.132%0.32141%0.409SS..Hα-helixtrans-67.9-38-179.7-71.4-17.5000112.2W83 S84 D85 V90 F91W83-N87 WeakPolarHBondContact CH2-ND2 3.43Å; W83-N87 WeakPolarHBondContact CZ3-ND2 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.28Å; W83-N87 PolarHBondContact O-N 2.62Å; W83-N87 PolarHBondContact O-ND2 3.41Å; S84-N87 PolarHBondContact O-N 3.29Å; S84-N87 VanDerWaalsContact O-N 3.16Å; D85-N87 VanDerWaalsContact C-N 3.34Å; N87-V90 PolarHBondContact O-N 2.79Å; N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 3.48Å
88K93.7Very high92.7Very high110 Ų11081.9 Ų81.948%0.47841%0.411SS..Hα-helixtrans-60.4-45.4172-65.5168.3-157.9161.80111.8S84 D85 F91 C92S84-K88 WeakPolarHBondContact O-CG 3.27Å; S84-K88 PolarHBondContact O-N 3.21Å; S84-K88 WeakPolarHBondContact OG-CE 3.33Å; D85-K88 PolarHBondContact O-N 3.04Å; D85-K88 IonicContact OD1-NZ 3.33Å; D85-K88 PolarHBondContact OD1-NZ 3.23Å; K88-F91 PolarHBondContact O-N 3.4Å; K88-C92 PolarHBondContact O-N 3.02Å
89S90.3Very high92.6Very high58 Ų5881.3 Ų81.341%0.40641%0.406SS..Hα-helixtrans-68.1-39.7-179.668.90000112.1D85 R86 F91 C92 I93D85-S89 PolarHBondContact O-N 3.41Å; D85-S89 PolarHBondContact O-OG 2.78Å; R86-S89 PolarHBondContact O-N 3.26Å; R86-S89 PolarHBondContact O-OG 3.22Å; S89-F91 PolarHBondContact O-N 3.15Å; S89-C92 PolarHBondContact O-N 3.44Å; S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.47Å; S89-I93 PolarHBondContact O-N 3.36Å
90V87Confident92.6Very high28 Ų2881.5 Ų81.517%0.1740%0.4CS..Hα-helixtrans-58.3-45.6171.5167.50000111.6R86 N87 I93 Q94 L130R86-V90 WeakPolarHBondContact O-CB 3.29Å; R86-V90 VanDerWaalsContact O-CG2 3.26Å; R86-V90 WeakPolarHBondContact O-CG2 3.31Å; R86-V90 PolarHBondContact O-N 3.39Å; N87-V90 PolarHBondContact O-N 2.79Å; V90-I93 PolarHBondContact O-N 3.28Å; V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 3.44Å; V90-L130 HydrophobicContact CB-CD1 4.35Å; V90-L130 HydrophobicContact CG1-CD1 3.72Å; V90-L130 HydrophobicContact CG1-CD2 3.61Å; V90-L130 HydrophobicContact CG1-CG 4.3Å; V90-L130 HydrophobicContact CG2-CD1 3.65Å
91F89.2Confident92.5Very high133 Ų13376.1 Ų76.158%0.58338%0.382SS*.Hα-helixtrans-62.8-43.6176.5-178-96.9000112.1N87 K88 S89 I93 Q94 R95N87-F91 WeakPolarHBondContact O-CB 3.33Å; N87-F91 PolarHBondContact O-N 3.48Å; K88-F91 PolarHBondContact O-N 3.4Å; S89-F91 PolarHBondContact O-N 3.15Å; F91-I93 PolarHBondContact O-N 3.1Å; F91-Q94 PolarHBondContact O-N 3.14Å; F91-R95 PolarHBondContact O-N 2.93Å
92C93.1Very high92.5Very high54 Ų5477.8 Ų77.837%0.36539%0.39SS..Hα-helixtrans-59.2-43.7173.4-86.90000112.6K88 S89 R95 L96K88-C92 PolarHBondContact O-N 3.02Å; S89-C92 PolarHBondContact O-N 3.44Å; C92-R95 PolarHBondContact O-N 3.08Å; C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CG 3.5Å; C92-L96 PolarHBondContact O-N 2.95Å
93I90.8Very high92.6Very high94 Ų9479.9 Ų79.948%0.48239%0.392SS..Hα-helixtrans-62.2-43.5176.8-69.7163.2000110.8S89 V90 F91 R95 L96 Y97 P126S89-I93 VanDerWaalsContact O-CG1 3.29Å; S89-I93 WeakPolarHBondContact O-CG1 3.47Å; S89-I93 PolarHBondContact O-N 3.36Å; V90-I93 PolarHBondContact O-N 3.28Å; F91-I93 PolarHBondContact O-N 3.1Å; I93-R95 PolarHBondContact O-N 3.15Å; I93-L96 PolarHBondContact O-N 3Å; I93-Y97 VanDerWaalsContact O-CB 3.28Å; I93-Y97 WeakPolarHBondContact O-CB 3.48Å; I93-Y97 PolarHBondContact O-N 3.36Å; I93-P126 HydrophobicContact CG2-CB 4.23Å; I93-P126 HydrophobicContact CG2-CG 4.13Å
94Q90.7Very high92.7Very high87 Ų8774.6 Ų74.641%0.40737%0.374SS..Hα-helixtrans-62-42.3176.7-72.4175.8200112V90 F91 Y97 G98 P126V90-Q94 WeakPolarHBondContact O-CG 3.47Å; V90-Q94 PolarHBondContact O-N 3.44Å; F91-Q94 PolarHBondContact O-N 3.14Å; Q94-Y97 PolarHBondContact O-N 2.92Å; Q94-G98 PolarHBondContact O-N 3.44Å; Q94-G98 VanDerWaalsContact O-N 3.07Å; Q94-P126 HydrophobicContact CG-CB 4.27Å
95R93.5Very high92.7Very high134 Ų13476.9 Ų76.951%0.50638%0.382SS..Hα-helixtrans-63-51.8176.4-164.7-17172.1-154.6-8.6111.8F91 C92 I93 Y97 G98 E99F91-R95 PolarHBondContact O-N 2.93Å; C92-R95 PolarHBondContact O-N 3.08Å; I93-R95 PolarHBondContact O-N 3.15Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.31Å; R95-G98 WeakPolarHBondContact O-CA 3.41Å; R95-G98 PolarHBondContact O-N 3.47Å; R95-E99 WeakPolarHBondContact CD-OE1 3.48Å; R95-E99 WeakPolarHBondContact CG-OE1 3.46Å; R95-E99 IonicContact CZ-OE1 3.95Å; R95-E99 IonicContact NE-OE1 2.97Å; R95-E99 PolarHBondContact NE-OE1 3.29Å; R95-E99 WeakPolarHBondContact O-CG 3.48Å; R95-E99 PolarHBondContact O-N 3.19Å
96L93.8Very high92.8Very high93 Ų9377.9 Ų77.949%0.48739%0.387SS..Hα-helixtrans-60.7-36.4178.6-71.1171.2000112.3C92 I93 G98 E99 Y100C92-L96 WeakPolarHBondContact O-CB 3.46Å; C92-L96 WeakPolarHBondContact O-CG 3.5Å; C92-L96 PolarHBondContact O-N 2.95Å; I93-L96 PolarHBondContact O-N 3Å; L96-G98 VanDerWaalsContact C-N 3.35Å; L96-E99 PolarHBondContact O-N 3.49Å; L96-Y100 VanDerWaalsContact O-CB 3.3Å; L96-Y100 WeakPolarHBondContact O-CB 3.41Å; L96-Y100 PolarHBondContact O-N 3.06Å
97Y92.8Very high92.9Very high49 Ų4977.5 Ų77.519%0.19239%0.39CS..Hα-helixtrans-65.4-38.3173.6-171.4-96.2000111.7I93 Q94 R95 N101 N121 Y123 T125 P126I93-Y97 VanDerWaalsContact O-CB 3.28Å; I93-Y97 WeakPolarHBondContact O-CB 3.48Å; I93-Y97 PolarHBondContact O-N 3.36Å; Q94-Y97 PolarHBondContact O-N 2.92Å; R95-Y97 VanDerWaalsContact C-N 3.28Å; R95-Y97 PolarHBondContact O-N 3.31Å; Y97-N101 WeakPolarHBondContact CD1-ND2 3.11Å; Y97-N101 WeakPolarHBondContact CE1-ND2 3.37Å; Y97-N101 VanDerWaalsContact CZ-ND2 3.34Å; Y97-N101 PolarHBondContact O-N 2.91Å; Y97-N101 PolarHBondContact O-ND2 2.87Å; Y97-N121 PolarHBondContact OH-ND2 3.35Å; Y97-N121 VanDerWaalsContact OH-ND2 3.13Å; Y97-Y123 PolarHBondContact OH-O 3.22Å; Y97-T125 HydrophobicContact CE1-CG2 4.28Å; Y97-P126 VanDerWaalsContact CD1-CD 3.44Å; Y97-P126 HydrophobicContact CD1-CG 3.99Å; Y97-P126 HydrophobicContact CD2-CG 3.94Å; Y97-P126 VanDerWaalsContact CG-CD 3.48Å; Y97-P126 HydrophobicContact CG-CG 3.62Å
98G91.9Very high93.3Very high40 Ų4076 Ų7641%0.41238%0.382SS..Hα-helixtrans-61.1-51.317200000112.6Q94 R95 L96 Y100 N101 Q102Q94-G98 PolarHBondContact O-N 3.44Å; Q94-G98 VanDerWaalsContact O-N 3.07Å; R95-G98 WeakPolarHBondContact O-CA 3.41Å; R95-G98 PolarHBondContact O-N 3.47Å; L96-G98 VanDerWaalsContact C-N 3.35Å; G98-Y100 VanDerWaalsContact C-N 3.34Å; G98-Y100 PolarHBondContact O-N 3.03Å; G98-N101 PolarHBondContact O-N 2.82Å; G98-Q102 PolarHBondContact O-N 2.79Å
99E95.7Very high93.4Very high90 Ų9076.8 Ų76.842%0.42139%0.386SS..Hα-helixtrans-56.8-45176.4-67167.7-152.700111.5R95 L96 Q102 L103R95-E99 WeakPolarHBondContact CD-OE1 3.48Å; R95-E99 WeakPolarHBondContact CG-OE1 3.46Å; R95-E99 IonicContact CZ-OE1 3.95Å; R95-E99 IonicContact NE-OE1 2.97Å; R95-E99 PolarHBondContact NE-OE1 3.29Å; R95-E99 WeakPolarHBondContact O-CG 3.48Å; R95-E99 PolarHBondContact O-N 3.19Å; L96-E99 PolarHBondContact O-N 3.49Å; E99-Q102 PolarHBondContact O-N 3.29Å; E99-L103 PolarHBondContact O-N 3.16Å
100Y95Very high93.6Very high75 Ų7579.8 Ų79.829%0.29439%0.393SS..Hα-helixtrans-59.9-47.2176.2171.4-90.5000112.6L96 G98 Q102 L103 L104 N121L96-Y100 VanDerWaalsContact O-CB 3.3Å; L96-Y100 WeakPolarHBondContact O-CB 3.41Å; L96-Y100 PolarHBondContact O-N 3.06Å; G98-Y100 VanDerWaalsContact C-N 3.34Å; G98-Y100 PolarHBondContact O-N 3.03Å; Y100-Q102 VanDerWaalsContact C-N 3.33Å; Y100-Q102 PolarHBondContact O-N 2.84Å; Y100-L103 PolarHBondContact O-N 2.88Å; Y100-L104 HydrophobicContact CE1-CB 4.39Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 WeakPolarHBondContact O-CB 3.4Å; Y100-L104 PolarHBondContact O-N 2.81Å; Y100-N121 HydrophobicContact CE1-CB 4.16Å; Y100-N121 VanDerWaalsContact CE1-CG 3.49Å; Y100-N121 WeakPolarHBondContact CE1-OD1 3.41Å
101N92.4Very high94.1Very high40 Ų4081.5 Ų81.521%0.21440%0.397CS..Hα-helixtrans-67.9-34.5179.8-74.9-76.9000111.8Y97 G98 L104 N105 N121Y97-N101 WeakPolarHBondContact CD1-ND2 3.11Å; Y97-N101 WeakPolarHBondContact CE1-ND2 3.37Å; Y97-N101 VanDerWaalsContact CZ-ND2 3.34Å; Y97-N101 PolarHBondContact O-N 2.91Å; Y97-N101 PolarHBondContact O-ND2 2.87Å; G98-N101 PolarHBondContact O-N 2.82Å; N101-L104 PolarHBondContact O-N 3.43Å; N101-N105 WeakPolarHBondContact O-CB 3.08Å; N101-N105 PolarHBondContact O-N 3.46Å; N101-N105 PolarHBondContact O-ND2 3.46Å; N101-N121 PolarHBondContact OD1-ND2 3.46Å; N101-N121 VanDerWaalsContact OD1-ND2 3.12Å
102Q94.9Very high94.4Very high130 Ų13082.3 Ų82.361%0.60740%0.402SS*.Hα-helixtrans-62.5-44.7173-171.7178.412.200111.3G98 E99 Y100 N105 N106G98-Q102 PolarHBondContact O-N 2.79Å; E99-Q102 PolarHBondContact O-N 3.29Å; Y100-Q102 VanDerWaalsContact C-N 3.33Å; Y100-Q102 PolarHBondContact O-N 2.84Å; Q102-N105 PolarHBondContact O-N 2.9Å; Q102-N106 VanDerWaalsContact O-CG 3.28Å; Q102-N106 PolarHBondContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.87Å
103L95.9Very high94.5Very high102 Ų10285.3 Ų85.353%0.53441%0.414SS..Hα-helixtrans-64.8-44.4176.1-179.160.5000112.1E99 Y100 N105 N106 I107E99-L103 PolarHBondContact O-N 3.16Å; Y100-L103 PolarHBondContact O-N 2.88Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 3.11Å; L103-N106 PolarHBondContact O-N 2.77Å; L103-I107 HydrophobicContact CD1-CD1 4.09Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 WeakPolarHBondContact O-CG1 3.48Å; L103-I107 PolarHBondContact O-N 3.49Å
104L95.3Very high94.6Very high14 Ų1488.2 Ų88.27%0.07342%0.424CS..Hα-helixtrans-58.4-44176.5-178.164.2000111.5Y100 N101 I107 N108 L119 N121Y100-L104 HydrophobicContact CE1-CB 4.39Å; Y100-L104 HydrophobicContact CE1-CD2 3.91Å; Y100-L104 WeakPolarHBondContact O-CB 3.4Å; Y100-L104 PolarHBondContact O-N 2.81Å; N101-L104 PolarHBondContact O-N 3.43Å; L104-I107 PolarHBondContact O-N 3.46Å; L104-N108 WeakPolarHBondContact O-CB 3.24Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.18Å; L104-L119 HydrophobicContact CD1-CB 3.68Å; L104-N121 HydrophobicContact CD2-CB 3.72Å
105N94.6Very high94.7Very high93 Ų9391.9 Ų91.950%0.49745%0.446SS..Hα-helixtrans-64.6-40.1176.4-72.2-21000112.3N101 Q102 L103 N108 K109N101-N105 WeakPolarHBondContact O-CB 3.08Å; N101-N105 PolarHBondContact O-N 3.46Å; N101-N105 PolarHBondContact O-ND2 3.46Å; Q102-N105 PolarHBondContact O-N 2.9Å; L103-N105 VanDerWaalsContact C-N 3.32Å; L103-N105 PolarHBondContact O-N 3.11Å; N105-N108 PolarHBondContact O-N 3.44Å; N105-K109 WeakPolarHBondContact O-CG 3.3Å; N105-K109 PolarHBondContact O-N 3.04Å
106N96.4Very high94.8Very high73 Ų7389.6 Ų89.639%0.3944%0.444SS..Hα-helixtrans-66.2-42.1176.1-70.1-16.7000111.9Q102 L103 N108 K109 H110Q102-N106 VanDerWaalsContact O-CG 3.28Å; Q102-N106 PolarHBondContact O-N 3.09Å; Q102-N106 PolarHBondContact O-ND2 2.87Å; L103-N106 PolarHBondContact O-N 2.77Å; N106-N108 VanDerWaalsContact C-N 3.35Å; N106-K109 PolarHBondContact O-N 3.4Å; N106-H110 PolarHBondContact O-CD2 3.34Å; N106-H110 PolarHBondContact O-N 3.01Å
107I96.1Very high94.7Very high70 Ų7088.7 Ų88.736%0.35945%0.449SS..Hα-helixtrans-63.7-41.8174.6-68167.4000110.5L103 L104 K109 H110 R111 L119L103-I107 HydrophobicContact CD1-CD1 4.09Å; L103-I107 HydrophobicContact CD1-CG1 4.34Å; L103-I107 HydrophobicContact CG-CD1 3.94Å; L103-I107 WeakPolarHBondContact O-CG1 3.48Å; L103-I107 PolarHBondContact O-N 3.49Å; L104-I107 PolarHBondContact O-N 3.46Å; I107-K109 PolarHBondContact O-N 3.35Å; I107-H110 PolarHBondContact O-N 3.28Å; I107-R111 HydrophobicContact CG2-CG 4.31Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.33Å; I107-L119 HydrophobicContact CG2-CD1 3.8Å
108N96.4Very high94.7Very high28 Ų2890.9 Ų90.915%0.1547%0.47CS..Hα-helixtrans-66.3-34.7-179.7-77.6-15.5000113L104 N105 N106 R111 E112 P118 L119L104-N108 WeakPolarHBondContact O-CB 3.24Å; L104-N108 VanDerWaalsContact O-CG 3.31Å; L104-N108 PolarHBondContact O-N 3.18Å; N105-N108 PolarHBondContact O-N 3.44Å; N106-N108 VanDerWaalsContact C-N 3.35Å; N108-R111 PolarHBondContact O-N 3.34Å; N108-E112 PolarHBondContact O-N 3.44Å; N108-P118 HydrophobicContact CB-CB 4.45Å; N108-L119 PolarHBondContact ND2-O 3.5Å; N108-L119 WeakPolarHBondContact OD1-CB 3.36Å; N108-L119 PolarHBondContact OD1-N 3.44Å
109K95.4Very high94.7Very high128 Ų12892.6 Ų92.656%0.55747%0.469SS*.Hα-helixtrans-59.4-48.2168.9-72.1173.2179.4179.30111.9N105 N106 I107 R111 E112 D113N105-K109 WeakPolarHBondContact O-CG 3.3Å; N105-K109 PolarHBondContact O-N 3.04Å; N106-K109 PolarHBondContact O-N 3.4Å; I107-K109 PolarHBondContact O-N 3.35Å; K109-R111 PolarHBondContact O-N 3.4Å; K109-E112 VanDerWaalsContact O-CB 3.3Å; K109-E112 WeakPolarHBondContact O-CB 3.39Å; K109-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-N 3.14Å; K109-D113 PolarHBondContact O-N 3.32Å
110H95.6Very high94.4Very high120 Ų12096.7 Ų96.756%0.55649%0.488SS*.Hα-helixtrans-64.5-28.2176-69.2-44.9000113.4N106 I107 D113 F114N106-H110 PolarHBondContact O-CD2 3.34Å; N106-H110 PolarHBondContact O-N 3.01Å; I107-H110 PolarHBondContact O-N 3.28Å; H110-D113 WeakPolarHBondContact CA-OD2 3.43Å; H110-D113 IonicContact ND1-OD2 3.35Å; H110-D113 PolarHBondContact ND1-OD2 3.44Å; H110-F114 WeakPolarHBondContact O-CD2 3.46Å
111R96.3Very high93.9Very high65 Ų6595 Ų9525%0.24549%0.485CS..Hα-helixtrans-71.8-37173.8-72.2175.970.881.1-0.3111.8I107 N108 K109 D113 F114 D115 L116 A117I107-R111 HydrophobicContact CG2-CG 4.31Å; I107-R111 WeakPolarHBondContact O-CG 3.45Å; I107-R111 PolarHBondContact O-N 3.33Å; N108-R111 PolarHBondContact O-N 3.34Å; K109-R111 PolarHBondContact O-N 3.4Å; R111-D113 VanDerWaalsContact C-N 3.34Å; R111-F114 CarbonylContact O-C 3.58Å; R111-F114 PolarHBondContact O-N 3.26Å; R111-F114 VanDerWaalsContact O-N 3.13Å; R111-D115 PolarHBondContact O-N 3.47Å; R111-L116 HydrophobicContact CB-CB 3.88Å; R111-L116 HydrophobicContact CG-CB 4.24Å; R111-L116 HydrophobicContact CG-CD1 4.48Å; R111-L116 WeakPolarHBondContact O-CB 3.35Å; R111-L116 PolarHBondContact O-N 3.19Å; R111-A117 VanDerWaalsContact CZ-O 3.22Å; R111-A117 PolarHBondContact NE-O 2.85Å; R111-A117 PolarHBondContact NH2-O 3.14Å
112E95.1Very high93.5Very high150 Ų15098 Ų9870%0.70151%0.506SS*.Hα-helixtrans-59.6-42.5171.4-166.9174.7-174.500111.2N108 K109 F114 D115N108-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-CB 3.3Å; K109-E112 WeakPolarHBondContact O-CB 3.39Å; K109-E112 PolarHBondContact O-N 3.44Å; K109-E112 VanDerWaalsContact O-N 3.14Å; E112-F114 PolarHBondContact O-N 3.4Å; E112-D115 PolarHBondContact O-N 2.87Å
113D95.1Very high92.7Very high116 Ų11699.2 Ų99.262%0.6251%0.506SS*.THydrogen-bonded Turntrans-58.2-17.4174-60.2-35.9000114.2K109 H110 R111K109-D113 PolarHBondContact O-N 3.32Å; H110-D113 WeakPolarHBondContact CA-OD2 3.43Å; H110-D113 IonicContact ND1-OD2 3.35Å; H110-D113 PolarHBondContact ND1-OD2 3.44Å; R111-D113 VanDerWaalsContact C-N 3.34Å
114F94.7Very high91.7Very high155 Ų155101.3 Ų101.368%0.6851%0.511SS*.THydrogen-bonded Turntrans-121.118.5-178.4-68-67.3000113.7H110 R111 E112 L116H110-F114 WeakPolarHBondContact O-CD2 3.46Å; R111-F114 CarbonylContact O-C 3.58Å; R111-F114 PolarHBondContact O-N 3.26Å; R111-F114 VanDerWaalsContact O-N 3.13Å; E112-F114 PolarHBondContact O-N 3.4Å; F114-L116 HydrophobicContact CB-CD1 4.22Å; F114-L116 HydrophobicContact CB-CG 4.12Å; F114-L116 PolarHBondContact O-N 3.39Å; F114-L116 VanDerWaalsContact O-N 3.13Å
115D92.3Very high90.6Very high164 Ų164103.6 Ų103.688%0.87753%0.525SS*.THydrogen-bonded Turntrans55.226.5-177.1-65.8-51000114.5R111 E112R111-D115 PolarHBondContact O-N 3.47Å; E112-D115 PolarHBondContact O-N 2.87Å
116L94.1Very high89.5Confident87 Ų87100.1 Ų100.146%0.45551%0.508SS..PPolyproline II helixtrans-93.1130.2179.8-63.8178000111.3R111 F114R111-L116 HydrophobicContact CB-CB 3.88Å; R111-L116 HydrophobicContact CG-CB 4.24Å; R111-L116 HydrophobicContact CG-CD1 4.48Å; R111-L116 WeakPolarHBondContact O-CB 3.35Å; R111-L116 PolarHBondContact O-N 3.19Å; F114-L116 HydrophobicContact CB-CD1 4.22Å; F114-L116 HydrophobicContact CB-CG 4.12Å; F114-L116 PolarHBondContact O-N 3.39Å; F114-L116 VanDerWaalsContact O-N 3.13Å
117A92.4Very high88.1Confident73 Ų73104.3 Ų104.360%0.60352%0.523SS*.PPolyproline II helixtrans-53.7139177.700000112.5R111R111-A117 VanDerWaalsContact CZ-O 3.22Å; R111-A117 PolarHBondContact NE-O 2.85Å; R111-A117 PolarHBondContact NH2-O 3.14Å
118P92.7Very high86.2Confident96 Ų96105.8 Ų105.862%0.62353%0.528SS*.PPolyproline II helixtrans-65144.2-175.726.3-35000112.2N108N108-P118 HydrophobicContact CB-CB 4.45Å
119L92.8Very high84.4Confident76 Ų76109.6 Ų109.640%0.39855%0.552SS.*PPolyproline II helixtrans-73.2132.5170.8-59.1178.3000109.4L104 I107 N108L104-L119 HydrophobicContact CD1-CB 3.68Å; I107-L119 HydrophobicContact CG2-CD1 3.8Å; N108-L119 PolarHBondContact ND2-O 3.5Å; N108-L119 WeakPolarHBondContact OD1-CB 3.36Å; N108-L119 PolarHBondContact OD1-N 3.44Å
120Q89.2Confident82.7Confident175 Ų175106.3 Ų106.382%0.81854%0.54SS*.PPolyproline II helixtrans-85.4150.9172.6-62.7-1707.200111P122Q120-P122 WeakPolarHBondContact O-CD 3.33Å
121N85Confident80.9Confident41 Ų41105.9 Ų105.922%0.21954%0.538CS..  trans-79.7115.3168-176.1-6.5000109Y97 Y100 N101 L104 Y123Y97-N121 PolarHBondContact OH-ND2 3.35Å; Y97-N121 VanDerWaalsContact OH-ND2 3.13Å; Y100-N121 HydrophobicContact CE1-CB 4.16Å; Y100-N121 VanDerWaalsContact CE1-CG 3.49Å; Y100-N121 WeakPolarHBondContact CE1-OD1 3.41Å; N101-N121 PolarHBondContact OD1-ND2 3.46Å; N101-N121 VanDerWaalsContact OD1-ND2 3.12Å; L104-N121 HydrophobicContact CD2-CB 3.72Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.83Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.4Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.36Å; N121-Y123 PolarHBondContact OD1-N 3.44Å; N121-Y123 PolarHBondContact OD1-O 2.93Å
122P82.6Confident78.8Confident102 Ų102108.8 Ų108.866%0.66256%0.559SS**  trans-78.7-10177.334.1-35.3000112.8Q120Q120-P122 WeakPolarHBondContact O-CD 3.33Å
123Y79.4Confident76.9Confident156 Ų156105.3 Ų105.361%0.61254%0.542SS*.SBendtrans-96.4131.1-177.5-55.3-73000111.4Y97 N121Y97-Y123 PolarHBondContact OH-O 3.22Å; N121-Y123 VanDerWaalsContact C-N 3.26Å; N121-Y123 PolarHBondContact O-N 2.83Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.4Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.36Å; N121-Y123 PolarHBondContact OD1-N 3.44Å; N121-Y123 PolarHBondContact OD1-O 2.93Å
124K74.1Confident75Confident146 Ų146105.7 Ų105.764%0.63554%0.539SS*.PPolyproline II helixtrans-64.3153.9169.7-78.1163.8160.9-990111E128K124-E128 WeakPolarHBondContact CD-OE2 3.18Å; K124-E128 IonicContact NZ-OE2 2.57Å; K124-E128 PolarHBondContact NZ-OE2 3.43Å
125T72.9Confident73.1Confident61 Ų61104.3 Ų104.337%0.37454%0.539SS..PPolyproline II helixtrans-62.3139.9176.372.50000110.5Y97 K127 E128Y97-T125 HydrophobicContact CE1-CG2 4.28Å; T125-K127 PolarHBondContact O-N 3.35Å; T125-E128 PolarHBondContact O-N 3.33Å; T125-E128 VanDerWaalsContact O-N 3.16Å
126P71.1Confident71.4Confident21 Ų21100 Ų10014%0.13652%0.518CS..Hα-helixtrans-58.8-13.8-178.6-28.535.5000115.3I93 Q94 Y97 V129 L130I93-P126 HydrophobicContact CG2-CB 4.23Å; I93-P126 HydrophobicContact CG2-CG 4.13Å; Q94-P126 HydrophobicContact CG-CB 4.27Å; Y97-P126 VanDerWaalsContact CD1-CD 3.44Å; Y97-P126 HydrophobicContact CD1-CG 3.99Å; Y97-P126 HydrophobicContact CD2-CG 3.94Å; Y97-P126 VanDerWaalsContact CG-CD 3.48Å; Y97-P126 HydrophobicContact CG-CG 3.62Å; P126-V129 PolarHBondContact O-N 2.73Å; P126-L130 PolarHBondContact O-N 3.42Å
127K65.8Low69.5Low161 Ų16197.9 Ų97.970%0.751%0.509SS*.Hα-helixtrans-61-44.4175.3-67.1-174.1176.5-176.20111.6T125 V129 L130T125-K127 PolarHBondContact O-N 3.35Å; K127-V129 PolarHBondContact O-N 3.31Å; K127-L130 PolarHBondContact O-N 2.84Å
128E57.9Low67.7Low101 Ų101101.9 Ų101.947%0.47251%0.513SS..Hα-helixtrans-64.5-24.3179.4-68.9179.2-148.200113.5K124 T125K124-E128 WeakPolarHBondContact CD-OE2 3.18Å; K124-E128 IonicContact NZ-OE2 2.57Å; K124-E128 PolarHBondContact NZ-OE2 3.43Å; T125-E128 PolarHBondContact O-N 3.33Å; T125-E128 VanDerWaalsContact O-N 3.16Å
129V57.8Low65.9Low107 Ų107100.9 Ų100.965%0.64851%0.505SS*.Hα-helixtrans-85.4-23.7-179.7-174.30000111.6P126 K127P126-V129 PolarHBondContact O-N 2.73Å; K127-V129 PolarHBondContact O-N 3.31Å
130L59.5Low64.2Low59 Ų59100.7 Ų100.731%0.30950%0.503SS..Hα-helixtrans-91.7-26-169.2-172.658.2000114.3V90 P126 K127 N132V90-L130 HydrophobicContact CB-CD1 4.35Å; V90-L130 HydrophobicContact CG1-CD1 3.72Å; V90-L130 HydrophobicContact CG1-CD2 3.61Å; V90-L130 HydrophobicContact CG1-CG 4.3Å; V90-L130 HydrophobicContact CG2-CD1 3.65Å; P126-L130 PolarHBondContact O-N 3.42Å; K127-L130 PolarHBondContact O-N 2.84Å; L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.14Å
131E57.2Low62.4Low111 Ų11195.5 Ų95.552%0.51949%0.486SS..G310 helixtrans-71.3-20.8-169.4-65.7-158.3106.100115.2H133 K134E131-H133 PolarHBondContact O-N 3.06Å; E131-K134 PolarHBondContact O-N 3.47Å; E131-K134 IonicContact OE1-NZ 2.61Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å
132N52.3Low60.6Low126 Ų12697.4 Ų97.467%0.67450%0.502SS*.G310 helixtrans-66.210-174.7-65.1-27.1000116.1L130L130-N132 VanDerWaalsContact C-N 3.32Å; L130-N132 PolarHBondContact O-N 3.14Å
133H56.2Low59.1Low77 Ų7798.2 Ų98.236%0.35650%0.497SS..G310 helixtrans-136.210.6-174.6-72.2-84.2000115.2R86 E131 D135 T136 T137R86-H133 PolarHBondContact NH1-CD2 2.61Å; R86-H133 VanDerWaalsContact NH1-CD2 3.27Å; R86-H133 PolarHBondContact NH1-CE1 3.26Å; R86-H133 VanDerWaalsContact NH1-CG 3.33Å; R86-H133 PolarHBondContact NH1-ND1 3.41Å; R86-H133 PolarHBondContact NH1-NE2 3.34Å; R86-H133 PolarHBondContact NH2-CD2 3.04Å; R86-H133 VanDerWaalsContact NH2-CG 3.34Å; E131-H133 PolarHBondContact O-N 3.06Å; H133-D135 PolarHBondContact O-N 2.78Å; H133-T136 PolarHBondContact O-N 3.28Å; H133-T137 PolarHBondContact O-N 3.4Å; H133-T137 PolarHBondContact O-OG1 3.1Å; H133-T137 VanDerWaalsContact O-OG1 3.06Å
134K55.1Low57.8Low124 Ų12494.5 Ų94.554%0.53949%0.491SS..Hα-helixtrans-60.4-34173.9-70.9174.3174.9176.10111.6E131E131-K134 PolarHBondContact O-N 3.47Å; E131-K134 IonicContact OE1-NZ 2.61Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å
135D55.2Low56.3Low127 Ų12793.7 Ų93.768%0.67949%0.493SS*.Hα-helixtrans-74.9-41.3-178.7-55.4-38.5000113H133 T137 K138H133-D135 PolarHBondContact O-N 2.78Å; D135-T137 PolarHBondContact O-N 3.22Å; D135-K138 PolarHBondContact O-N 3.5Å
136T56Low54.8Low73 Ų7393.7 Ų93.745%0.44851%0.506SS..Hα-helixtrans-62.6-33.4179.7-32.20000112.2H133 I140H133-T136 PolarHBondContact O-N 3.28Å; T136-I140 HydrophobicContact CG2-CD1 4.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.37Å
137T54Low53.5Low42 Ų4299.4 Ų99.426%0.25853%0.534SS..Hα-helixtrans-74.7-33-176.4-48.60000111.8W83 H133 D135 C141W83-T137 HydrophobicContact CZ2-CG2 3.87Å; H133-T137 PolarHBondContact O-N 3.4Å; H133-T137 PolarHBondContact O-OG1 3.1Å; H133-T137 VanDerWaalsContact O-OG1 3.06Å; D135-T137 PolarHBondContact O-N 3.22Å; T137-C141 PolarHBondContact O-N 3.18Å
138K55.2Low52.2Low157 Ų15798.8 Ų98.868%0.68353%0.534SS*.Hα-helixtrans-63-48.2176.6-74.1-173.7175.6-174.50111.6D135 I140 C141 S142D135-K138 PolarHBondContact O-N 3.5Å; K138-I140 PolarHBondContact O-N 3.17Å; K138-C141 PolarHBondContact O-N 2.87Å; K138-S142 PolarHBondContact O-N 3.02Å; K138-S142 PolarHBondContact O-OG 3.33Å
139V54.2Low51.3Low76 Ų7699.6 Ų99.646%0.46154%0.542SS..Hα-helixtrans-55.8-51.3180179.60000111.3C141 S142 E143V139-C141 PolarHBondContact O-N 3.03Å; V139-S142 PolarHBondContact O-OG 3.43Å; V139-E143 WeakPolarHBondContact O-CG 3.45Å; V139-E143 PolarHBondContact O-N 3.4Å
140I56.8Low50.3Low72 Ų72102.5 Ų102.537%0.36955%0.548SS..Hα-helixtrans-65.2-38.8-174.7-62.3167.7000111.8V79 T136 K138 T144V79-I140 HydrophobicContact CG1-CG2 4.23Å; T136-I140 HydrophobicContact CG2-CD1 4.28Å; T136-I140 WeakPolarHBondContact O-CG1 3.37Å; K138-I140 PolarHBondContact O-N 3.17Å; I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-OG1 3.33Å
141C52.1Low49.8Very low66 Ų66104.5 Ų104.545%0.44657%0.567SS.*Hα-helixtrans-84.3-25.6-176.9-67.20000114.5T137 K138 V139 T144T137-C141 PolarHBondContact O-N 3.18Å; K138-C141 PolarHBondContact O-N 2.87Å; V139-C141 PolarHBondContact O-N 3.03Å; C141-T144 PolarHBondContact O-OG1 3.27Å
142S48.2Very low49.3Very low80 Ų80104.2 Ų104.256%0.55957%0.568SS**Hα-helixtrans-75.7-31.4174.751.30000112.6K138 V139 G146K138-S142 PolarHBondContact O-N 3.02Å; K138-S142 PolarHBondContact O-OG 3.33Å; V139-S142 PolarHBondContact O-OG 3.43Å; S142-G146 PolarHBondContact O-N 2.96Å
143E50.3Low48.9Very low120 Ų120104.9 Ų104.956%0.56157%0.565SS**Hα-helixtrans-72.9-37.7178-70.1174.8177.700112.3V139 N145 L147V139-E143 WeakPolarHBondContact O-CG 3.45Å; V139-E143 PolarHBondContact O-N 3.4Å; E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.48Å; E143-L147 WeakPolarHBondContact O-CG 3.39Å
144T51.9Low48.1Very low78 Ų78104 Ų10448%0.47958%0.577SS.*Hα-helixtrans-71.6-26.2-179.855.30000114.2I140 C141I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-OG1 3.33Å; C141-T144 PolarHBondContact O-OG1 3.27Å
145N43.5Very low47.7Very low128 Ų128108 Ų10868%0.68459%0.59SS**Hα-helixtrans-97.7-12-175.7-61.76.7000112.6E143E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.48Å
146G39.7Very low47.3Very low62 Ų62107.3 Ų107.364%0.63959%0.585SS**Hα-helixtrans-103.1-3.4178.800000115.3S142S142-G146 PolarHBondContact O-N 2.96Å
147L44.2Very low46.3Very low140 Ų140106.5 Ų106.573%0.73358%0.583SS**SBendtrans-95.7-1.1177.5-79170000113.9E143 N149E143-L147 WeakPolarHBondContact O-CG 3.39Å; L147-N149 PolarHBondContact O-N 2.96Å
148E38.4Very low45.4Very low148 Ų148109.8 Ų109.869%0.69261%0.605SS**SBendtrans-72.8123.1162.5-62.7-166.2170.500109.9
149N39.1Very low44.6Very low119 Ų119110.2 Ų110.264%0.63661%0.607SS**SBendtrans74.797.6166.1-45.4-63000117.2L147L147-N149 PolarHBondContact O-N 2.96Å
150E38.1Very low44Very low167 Ų167113.7 Ų113.778%0.7862%0.618SS**SBend161.6-45114.2-85.8-168.215800111I152 K153E150-I152 PolarHBondContact O-N 2.99Å; E150-K153 WeakPolarHBondContact O-CB 3.42Å; E150-K153 PolarHBondContact O-N 3.35Å
151S47.4Very low43.1Very low101 Ų101113.1 Ų113.171%0.70662%0.62SS**THydrogen-bonded Turntrans-63.8-41.1-170-161.50000114.3
152I48.4Very low42.5Very low105 Ų105116.7 Ų116.754%0.53863%0.631SS.*THydrogen-bonded Turntrans-76.7-25.2-179.1-56.6175.2000111.7E150 G154 Y155 L156E150-I152 PolarHBondContact O-N 2.99Å; I152-G154 PolarHBondContact O-N 3.31Å; I152-Y155 PolarHBondContact O-N 2.6Å; I152-Y155 VanDerWaalsContact O-N 3.08Å; I152-L156 HydrophobicContact CG2-CD1 3.86Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 PolarHBondContact O-N 3.22Å
153K43.7Very low42.3Very low140 Ų140117.5 Ų117.561%0.60963%0.629SS**Hα-helixtrans-65-20.9179-130.7172.2-171.4168.20112.4E150 S157E150-K153 WeakPolarHBondContact O-CB 3.42Å; E150-K153 PolarHBondContact O-N 3.35Å; K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 3.26Å; K153-S157 PolarHBondContact O-OG 2.91Å
154G38.4Very low41.8Very low59 Ų59120 Ų12061%0.60863%0.633SS**Hα-helixtrans-73.2-30.1173.500000114.3I152I152-G154 PolarHBondContact O-N 3.31Å
155Y47.2Very low41.3Very low208 Ų208124.9 Ų124.982%0.81664%0.642SS**Hα-helixtrans-93.6-22.4-178.1-66.3-82.3000113.6I152I152-Y155 PolarHBondContact O-N 2.6Å; I152-Y155 VanDerWaalsContact O-N 3.08Å
156L47.4Very low41.5Very low112 Ų112123.7 Ų123.759%0.58663%0.633SS**Hα-helixtrans-101-4177.6-66.5176.9000114.4I152I152-L156 HydrophobicContact CG2-CD1 3.86Å; I152-L156 HydrophobicContact CG2-CG 4.36Å; I152-L156 PolarHBondContact O-N 3.22Å
157S33.3Very low42.1Very low56 Ų56125.2 Ų125.239%0.39263%0.629SS.*SBendtrans-72.2128.8177.5-83.20000111.8K153 K159K153-S157 WeakPolarHBondContact O-CB 3.41Å; K153-S157 PolarHBondContact O-N 3.26Å; K153-S157 PolarHBondContact O-OG 2.91Å; S157-K159 PolarHBondContact O-N 3.33Å
158P36.2Very low42.2Very low111 Ų111122 Ų12272%0.72161%0.611SS**SBendtrans-76.458.817932.3-36.4000113.1S161P158-S161 PolarHBondContact O-OG 3.16Å; P158-S161 VanDerWaalsContact O-OG 3.05Å
159K39Very low42.9Very low166 Ų166117.6 Ų117.672%0.72260%0.597SS**  trans-95.11.5170.4-71.2-166.7174.6-1740114S157S157-K159 PolarHBondContact O-N 3.33Å
160Q41Very low43.6Very low150 Ų150117.3 Ų117.370%0.70159%0.589SS**SBendtrans-90.2-0.6170-67.2-169.6-16.500113.4
161S38.7Very low44.3Very low60 Ų60113.1 Ų113.142%0.4258%0.575SS.*Hα-helixtrans-71.3-34.2177.456.10000112.8P158 N163 R164P158-S161 PolarHBondContact O-OG 3.16Å; P158-S161 VanDerWaalsContact O-OG 3.05Å; S161-N163 VanDerWaalsContact C-N 3.35Å; S161-N163 PolarHBondContact O-N 2.92Å; S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3Å
162E39.5Very low44.4Very low141 Ų141116.6 Ų116.666%0.65957%0.573SS**Hα-helixtrans-62.2-41.5178.9-65.8-178.5133.300111.5R164 W165 E166E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 2.96Å; E162-W165 PolarHBondContact O-N 2.97Å; E162-E166 PolarHBondContact O-N 2.9Å
163N43.7Very low44.5Very low97 Ų97118 Ų11852%0.51958%0.577SS.*Hα-helixtrans-63.1-30.9178.4-62.1-4.2000112.9S161 E166 V167S161-N163 VanDerWaalsContact C-N 3.35Å; S161-N163 PolarHBondContact O-N 2.92Å; N163-E166 PolarHBondContact O-N 3.16Å; N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 2.99Å
164R39.3Very low44.8Very low173 Ų173115.3 Ų115.365%0.65358%0.576SS**Hα-helixtrans-65.6-46.1179.6-171.5-179.8-179.8174.57.2111.3S161 E162 E166 E168S161-R164 WeakPolarHBondContact O-CB 3.46Å; S161-R164 PolarHBondContact O-N 3Å; E162-R164 VanDerWaalsContact C-N 3.27Å; E162-R164 PolarHBondContact O-N 2.96Å; R164-E166 VanDerWaalsContact C-N 3.32Å; R164-E166 PolarHBondContact O-N 3.35Å; R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 3.43Å; R164-E168 WeakPolarHBondContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.1Å
165W42.1Very low45.4Very low179 Ų179120.2 Ų120.268%0.67858%0.581SS**Hα-helixtrans-67.4-33.2177.3-60.8108.9000112.4E162 S169E162-W165 PolarHBondContact O-N 2.97Å; W165-S169 WeakPolarHBondContact O-CB 3.44Å; W165-S169 PolarHBondContact O-N 2.76Å; W165-S169 PolarHBondContact O-OG 2.92Å
166E46.2Very low45.4Very low103 Ų103118 Ų11848%0.48158%0.575SS.*Hα-helixtrans-73.8-38.5-179.4-143.5-169.6148.500112.5E162 N163 R164 K170E162-E166 PolarHBondContact O-N 2.9Å; N163-E166 PolarHBondContact O-N 3.16Å; R164-E166 VanDerWaalsContact C-N 3.32Å; R164-E166 PolarHBondContact O-N 3.35Å; E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 WeakPolarHBondContact O-CD 3.47Å; E166-K170 VanDerWaalsContact O-CG 3.26Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 VanDerWaalsContact OE1-CE 3.27Å; E166-K170 WeakPolarHBondContact OE1-CE 3.26Å; E166-K170 IonicContact OE1-NZ 3.92Å; E166-K170 PolarHBondContact OE1-NZ 3.23Å
167V53.1Low45.2Very low94 Ų94116 Ų11657%0.5758%0.575SS**Hα-helixtrans-68.7-47173.5174.60000111N163 S169 K170 V171N163-V167 WeakPolarHBondContact O-CG2 3.49Å; N163-V167 PolarHBondContact O-N 2.99Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 3.17Å; V167-K170 PolarHBondContact O-N 2.86Å; V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 3.13Å
168E46.6Very low45.7Very low73 Ų73118.3 Ų118.334%0.34159%0.591SS.*Hα-helixtrans-64-34.9176.9-72.6-175.6-15500112.4R164 R172R164-E168 IonicContact NE-OE1 2.68Å; R164-E168 PolarHBondContact NE-OE1 3.43Å; R164-E168 WeakPolarHBondContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CG 3.05Å; R164-E168 PolarHBondContact O-N 3.1Å; E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 2.9Å
169S52.2Low46.1Very low56 Ų56121 Ų12139%0.39259%0.594SS.*Hα-helixtrans-67.4-42.7174.1-67.70000112.3W165 V167 R172 Q173W165-S169 WeakPolarHBondContact O-CB 3.44Å; W165-S169 PolarHBondContact O-N 2.76Å; W165-S169 PolarHBondContact O-OG 2.92Å; V167-S169 VanDerWaalsContact C-N 3.31Å; V167-S169 PolarHBondContact O-N 3.17Å; S169-R172 PolarHBondContact O-N 3.47Å; S169-Q173 WeakPolarHBondContact O-CB 3.46Å; S169-Q173 VanDerWaalsContact O-CG 3.29Å; S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.3Å
170K54.2Low46.3Very low112 Ų112121.7 Ų121.749%0.48760%0.597SS.*Hα-helixtrans-64-42.5177.1-74.4167.4-174169.20111.3E166 V167 R172 Q173 S174E166-K170 WeakPolarHBondContact O-CB 3.38Å; E166-K170 WeakPolarHBondContact O-CD 3.47Å; E166-K170 VanDerWaalsContact O-CG 3.26Å; E166-K170 WeakPolarHBondContact O-CG 3.26Å; E166-K170 PolarHBondContact O-N 3.3Å; E166-K170 VanDerWaalsContact OE1-CE 3.27Å; E166-K170 WeakPolarHBondContact OE1-CE 3.26Å; E166-K170 IonicContact OE1-NZ 3.92Å; E166-K170 PolarHBondContact OE1-NZ 3.23Å; V167-K170 PolarHBondContact O-N 2.86Å; K170-R172 PolarHBondContact O-N 3.48Å; K170-Q173 PolarHBondContact O-N 3.48Å; K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 PolarHBondContact O-OG 3.41Å
171V53.5Low46.1Very low80 Ų80122.2 Ų122.249%0.48560%0.604SS.*Hα-helixtrans-63.3-39.9174.2174.30000112.2V167 K175V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 3.13Å; V171-K175 PolarHBondContact O-N 2.97Å
172R49.3Very low46Very low174 Ų174125.7 Ų125.766%0.65762%0.623SS**Hα-helixtrans-72.4-28.5176.6-73177.3-173.3-108.95113.5E168 S169 K170 K176E168-R172 WeakPolarHBondContact O-CB 3.33Å; E168-R172 VanDerWaalsContact O-CG 3.29Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 2.9Å; S169-R172 PolarHBondContact O-N 3.47Å; K170-R172 PolarHBondContact O-N 3.48Å; R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.34Å
173Q50.8Low45.8Very low133 Ų133128.5 Ų128.562%0.62163%0.634SS**Hα-helixtrans-72.9-42.9174.6-75.3177.211.500111.4S169 K170 K175 K176 A177S169-Q173 WeakPolarHBondContact O-CB 3.46Å; S169-Q173 VanDerWaalsContact O-CG 3.29Å; S169-Q173 WeakPolarHBondContact O-CG 3.39Å; S169-Q173 PolarHBondContact O-N 3.3Å; K170-Q173 PolarHBondContact O-N 3.48Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å; Q173-K176 PolarHBondContact O-N 3.4Å; Q173-A177 PolarHBondContact O-N 2.68Å
174S48.9Very low45.4Very low85 Ų85129.6 Ų129.659%0.59465%0.646SS**Hα-helixtrans-58.6-42.8175.2-59.10000112.6K170 K176 A177 S178K170-S174 PolarHBondContact O-N 3.49Å; K170-S174 PolarHBondContact O-OG 3.41Å; S174-K176 PolarHBondContact O-N 3.28Å; S174-A177 PolarHBondContact O-N 3.48Å; S174-S178 PolarHBondContact O-N 3.28Å
175K50.6Low45.4Very low161 Ų161130.2 Ų130.270%0.766%0.656SS**Hα-helixtrans-67-19.2175.5-71.1-175177.4-177.60114.2V171 Q173V171-K175 PolarHBondContact O-N 2.97Å; Q173-K175 VanDerWaalsContact C-N 3.35Å; Q173-K175 PolarHBondContact O-N 2.97Å
176K48.5Very low45.1Very low161 Ų161130 Ų13070%0.766%0.663SS**Hα-helixtrans-95.8-20.6176.3-73179.8178.3-178.20113.8R172 Q173 S174R172-K176 WeakPolarHBondContact O-CG 3.45Å; R172-K176 PolarHBondContact O-N 3.34Å; Q173-K176 PolarHBondContact O-N 3.4Å; S174-K176 PolarHBondContact O-N 3.28Å
177A42.2Very low44.7Very low71 Ų71132.4 Ų132.459%0.58768%0.679SS**Hα-helixtrans-73.7-35.1174.800000112.4Q173 S174 H179Q173-A177 PolarHBondContact O-N 2.68Å; S174-A177 PolarHBondContact O-N 3.48Å; A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 2.97Å
178S44.1Very low44.1Very low105 Ų105133.1 Ų133.173%0.73469%0.688SS**THydrogen-bonded Turntrans-75-4.5-174.4-155.50000115.7S174S174-S178 PolarHBondContact O-N 3.28Å
179H44.7Very low43.5Very low168 Ų168134.9 Ų134.978%0.77871%0.709SS**THydrogen-bonded Turntrans-114.916.7-177.8-83.8-64.7000114.5A177A177-H179 VanDerWaalsContact C-N 3.27Å; A177-H179 PolarHBondContact O-N 2.97Å
180K43.1Very low42.9Very low180 Ų180139.2 Ų139.278%0.78373%0.732SS**SBendtrans-114.11.9-176.7-86-172.5171.7-174.80116.9
181N37.2Very low42Very low160 Ų160142.9 Ų142.986%0.85675%0.748SS**  trans-116.761.1178.5-78-21000112.9
182T36.6Very low41.4Very low133 Ų133146.1 Ų146.182%0.81677%0.768SS**  trans-137.2101164.5-34.60000109.2P184T182-P184 WeakPolarHBondContact O-CD 3.36Å
183K36.1Very low40.8Very low201 Ų201142.7 Ų142.787%0.87477%0.771SS**  trans-113.896-172.8-169.9-176.3-171.6-176.90108.6Q185K183-Q185 PolarHBondContact O-N 2.96Å; K183-Q185 VanDerWaalsContact O-N 3.16Å
184P35.2Very low40.2Very low120 Ų120142.7 Ų142.778%0.77978%0.775SS**  trans-75.8106.5177.629-30.3000109.1T182 Q186T182-P184 WeakPolarHBondContact O-CD 3.36Å; P184-Q186 PolarHBondContact O-N 2.99Å
185Q39.2Very low39.8Very low185 Ų185145.7 Ų145.786%0.86478%0.78SS**  trans-74125.5173.6-169.8169.6-13.100109.1K183K183-Q185 PolarHBondContact O-N 2.96Å; K183-Q185 VanDerWaalsContact O-N 3.16Å
186Q35.7Very low39.3Very low176 Ų176143.7 Ų143.782%0.82278%0.777SS**  trans-64.7144.2179.8-61.9169.1-44.800111P184P184-Q186 PolarHBondContact O-N 2.99Å
187N37.8Very low38.8Very low153 Ų153144.9 Ų144.982%0.81878%0.782SS**  trans-168131.9136.7-95.2-23.2000114.3
188S40Very low38.6Very low109 Ų109149.7 Ų149.776%0.76279%0.79SS**  trans4891.6150.661.30000122.2
189S34.2Very low38.1Very low110 Ų110152.9 Ų152.977%0.76979%0.793SS**  46.7108.3110.1179.10000121.1
190V38.2Very low37.7Very low146 Ų146153 Ų15389%0.88580%0.798SS**  trans-135.3131133.3178.90000109
191K36.2Very low37.3Very low189 Ų189151.9 Ų151.982%0.82280%0.795SS**  trans-94.1139.7171.6-74.4176.3173.6177.60110.4
192T40Very low37Very low148 Ų148153.8 Ų153.891%0.90880%0.797SS**  trans-139.5154139.743.30000109
193S37.4Very low37.3Very low102 Ų102153 Ų15371%0.71380%0.796SS**  trans-120.9-177.1-160.759.70000113.6
194N38.9Very low37.4Very low134 Ų134152 Ų15272%0.71779%0.792SS**  trans82.6144.4169.5-63.727.6000116.6
195E40.6Very low37.7Very low148 Ų148156.7 Ų156.769%0.69279%0.794SS**  cis-172.7165.4-32-130.9-179.8-15100109.7
196N39.5Very low37.9Very low118 Ų118154.2 Ų154.263%0.63179%0.787SS**  trans71.785.5154.4-59.6-35.8000122.6
197F37.3Very low38.2Very low186 Ų186154.5 Ų154.582%0.81679%0.788SS**  50.9139.8106.6-85-73.4000125.1
198K38.7Very low38.6Very low172 Ų172151.1 Ų151.175%0.74879%0.789SS**  trans88.589144.7-75.2175.7-177.6-177.60122.2
199E32.4Very low38.5Very low173 Ų173152.5 Ų152.581%0.80879%0.788SS**  36113101.2-169.9178.5-136.900119.7
200I37.7Very low38.8Very low171 Ų171153.1 Ų153.188%0.87779%0.792SS**  trans-142.3152.7157.7-64.9-171.4000110.5
201Q35.3Very low38.7Very low155 Ų155154.7 Ų154.772%0.72479%0.79SS**  trans-102.3159.7-160.9-74.9-175.57.600118.3
202F30.7Very low38.8Very low201 Ų201155.4 Ų155.488%0.88279%0.793SS**  trans28.3131.8143.1-73.4-80000123.6
203S41Very low38.5Very low116 Ų116154.5 Ų154.581%0.81179%0.79SS**  trans-179.3171.8131.9-170.30000111.2
204K38.9Very low38.4Very low181 Ų181158.2 Ų158.279%0.78780%0.8SS**  -168.8147.4-74.1-176175.3-177.8-179.60110
205R42.1Very low38.2Very low218 Ų218159.8 Ų159.882%0.82380%0.803SS**  trans115.1149171.8-70.5178.7-79.4-172.8-6.2114.7
206D44.2Very low37.7Very low132 Ų132160.8 Ų160.871%0.70681%0.808SS**  cis-152.5177-4.1-123.3-43.4000114.2
207H40.5Very low37.6Very low182 Ų182159.6 Ų159.684%0.84381%0.806SS**  trans-66159.7-166.7-79-89.2000120.8
208G45.7Very low37.3Very low82 Ų82157.8 Ų157.885%0.84581%0.805SS**  trans-174114.3154.400000111.8
209D38.4Very low37.2Very low139 Ų139158.8 Ų158.874%0.74381%0.812SS**  trans-117.1140-161-169.89.7000113.8
210S40.7Very low37.1Very low123 Ų123158 Ų15886%0.8681%0.812SS**  trans-179.4142.3151.5-84.60000113.3
211Q36.7Very low37Very low179 Ų179158 Ų15884%0.83681%0.813SS**  trans-90.3146.3-161.8-57.8167.6-11.700115.7
212K37Very low36.7Very low204 Ų204156.6 Ų156.689%0.88782%0.815SS**  -175.8123.7125.5-104172.4-175.1-1780111.6
213P33.7Very low36.9Very low128 Ų128151.4 Ų151.483%0.83181%0.809SS**  trans-85.6130178.1-2.420.8000112.2
214L36.5Very low36.5Very low180 Ų180152.4 Ų152.494%0.94281%0.805SS**  trans-89112.9164.8-97.4158.8000109
215H33.6Very low36.1Very low168 Ų168150.2 Ų150.278%0.77880%0.802SS**  trans-88.9124.3-178.8-150.4-81.2000110
216H31.7Very low35.8Very low169 Ų169147.8 Ų147.878%0.78281%0.805SS**  trans-125.497.3177-163.7-43.7000109.1
217P36.2Very low35.1Very low92 Ų92150 Ų15060%0.59781%0.813SS**  trans-103.5109.5178.233.4-23.4000110.9
218N32.5Very low35Very low148 Ų148147.1 Ų147.179%0.79181%0.81SS**  trans-145.861.2161.6-99.5-19.5000108.4
219E35.7Very low34.3Very low193 Ų193148.3 Ų148.390%0.90281%0.805SS**  trans-116.7128.5163.4-75.3-164.6148.800109.4L221E219-L221 PolarHBondContact O-N 2.79Å
220I30.2Very low33.8Very low157 Ų157148.3 Ų148.381%0.80581%0.811SS**  trans-86.4111.2-173.2-62.4166.8000108.1V222I220-V222 HydrophobicContact CG2-CG2 4.26Å
221L35.3Very low33.5Very low170 Ų170148 Ų14889%0.8980%0.804SS**  trans-94.5110.6165.2-91.2164.6000109.7E219E219-L221 PolarHBondContact O-N 2.79Å
222V29.9Very low33.1Very low127 Ų127148.4 Ų148.477%0.7781%0.806SS**  trans-75.4123.2170.8176.70000108.5I220I220-V222 HydrophobicContact CG2-CG2 4.26Å
223A33.8Very low33Very low91 Ų91146 Ų14675%0.75280%0.801SS**  trans-141.696.3171.400000110.5
224D33.1Very low32.7Very low137 Ų137142.7 Ų142.773%0.73379%0.79SS**  trans18.6126.9143.8-73-13.6000121.1
225N30.6Very low32.4Very low135 Ų135142.3 Ų142.372%0.72279%0.787SS**  trans64.2111.8142-55.8-38.7000119.2
226L36.8Very low32.4Very low168 Ų168139.3 Ų139.388%0.8879%0.785SS**  -172.4130.3109.5-116.581.6000110.4
227M29.6Very low32.3Very low178 Ų178140.2 Ų140.288%0.87779%0.787SS**PPolyproline II helixtrans-88.9136.7171-76-91.693.100110.7
228P36.5Very low32.4Very low121 Ų121142.8 Ų142.879%0.78680%0.796SS**PPolyproline II helixtrans-84129.1160.6-8.426.8000110.8
229S32.8Very low32.3Very low107 Ų107142.7 Ų142.775%0.74880%0.795SS**PPolyproline II helixtrans-68.8141-178.7480000114.2
230T28.1Very low32.4Very low140 Ų140139.7 Ų139.786%0.85980%0.795SS**PPolyproline II helixtrans-68.2127.7162.144.70000111
231T32.8Very low32.7Very low117 Ų117140.2 Ų140.272%0.71880%0.795SS**  trans-99.6113.3172.6-50.90000109.8I233T231-I233 HydrophobicContact CG2-CG1 4.37Å
232E29.5Very low32.5Very low186 Ų186138 Ų13887%0.86978%0.782SS**  trans-76129.3168.1-62.7179.9150.800109.9
233I34.7Very low32.9Very low154 Ų154138.9 Ų138.979%0.7978%0.782SS**  trans-129.8117.5162.5-67.8170.6000106.4T231T231-I233 HydrophobicContact CG2-CG1 4.37Å
234G27Very low32.9Very low59 Ų59140.3 Ų140.361%0.60878%0.777SS**  trans-92.7-146.3-18000000113.1
235I30Very low33.2Very low171 Ų171140.4 Ų140.488%0.87778%0.778SS**  trans81.5127.1-172.6-49.3160.4000110.3
236S33Very low33.8Very low105 Ų105141.9 Ų141.973%0.73479%0.785SS**  cis-148.4150.91040.40000112.5
237K30.5Very low33.9Very low188 Ų188140 Ų14082%0.81778%0.777SS**  trans-74.5152.7152.5-65.3176.9175.5-178.30109.4
238N38Very low34.2Very low146 Ų146141.5 Ų141.578%0.78178%0.778SS**  trans172.6100.1137.1-86.2-4000110
239D30.6Very low34Very low146 Ų146140.5 Ų140.578%0.78177%0.774SS**  trans28.9119.1130.5-42.7-25.7000119.5
240S38.6Very low34Very low130 Ų130145.4 Ų145.491%0.90978%0.783SS**  trans-153.4114.8150.1-73.80000108.6
241E35.4Very low34.2Very low169 Ų169144.9 Ų144.979%0.7977%0.774SS**  trans-93141.9-165.6-91-176.2148.800114.5
242I32.5Very low34.2Very low123 Ų123145.2 Ų145.263%0.63177%0.768SS**  trans72.4151.6133.4-57.4166000119.2
243L37.6Very low34.5Very low146 Ų146144.9 Ų144.976%0.76477%0.766SS**  trans91.3126.5170.8-50.6179.4000117.3
244D34.2Very low34.5Very low121 Ų121144.6 Ų144.665%0.64776%0.759SS**  cis-169.7171.1-34.5-108.2-15.7000107.2
245D37.9Very low35Very low139 Ų139148.8 Ų148.874%0.74377%0.768SS**  trans57.9109.2161.2-54-35.9000119.6
246D44.2Very low35.3Very low165 Ų165148.3 Ų148.388%0.88276%0.759SS**  -172.2132.293.5-105-33.2000113
247D39Very low35.6Very low130 Ų130155.1 Ų155.170%0.69577%0.769SS**  trans-67.3150.6-175.7-169.64000113.6
248F35.7Very low35.8Very low208 Ų208154.4 Ų154.491%0.91277%0.769SS**  trans-175.791.5139.3-104.3-64.4000111.9
249S32.5Very low35.7Very low100 Ų100151 Ų15170%0.69977%0.768SS**  trans-73.4142.6160.8-76.70000112
250F33.4Very low35.8Very low211 Ų211151.8 Ų151.893%0.92577%0.772SS**  trans-124.4132.7155.2-144.1-89.7000109.7
251N31.8Very low35.5Very low128 Ų128151.1 Ų151.168%0.68476%0.762SS**  trans-124.6154.6-159.7-153.54.4000111.5
252E32.3Very low35.6Very low125 Ų125152.3 Ų152.358%0.58477%0.767SS**  trans47.3124.5165-60-16597.800121K254E252-K254 IonicContact OE1-NZ 2.92Å; E252-K254 PolarHBondContact OE1-NZ 3.12Å
253E35Very low35.5Very low178 Ų178153.6 Ų153.683%0.83278%0.776SS**  -133.6112.1116.1-162.2174.3170.700110.7
254K35.4Very low35.5Very low148 Ų148157.4 Ų157.464%0.64378%0.78SS**  trans-85.2133170.3-72.1-171.3-178.184.10109.7E252E252-K254 IonicContact OE1-NZ 2.92Å; E252-K254 PolarHBondContact OE1-NZ 3.12Å
255N38Very low35.6Very low148 Ų148158.4 Ų158.479%0.79179%0.785SS**  trans-126.897.8153-95.2-62000110.6
256K36.9Very low35.2Very low161 Ų161162 Ų16270%0.779%0.794SS**  trans-79.9133.7166.1-80.7-174168.1-164.60109.5
257R39.3Very low34.8Very low247 Ų247159.1 Ų159.193%0.93279%0.787SS**  trans-138.1126.6139.5-70.6-163.1-176.4-138.40.5109.5
258E34.7Very low34.6Very low174 Ų174159.4 Ų159.481%0.81379%0.794SS**  trans-75.3152.5174-68.4151.316000109.9
259G35.3Very low34.4Very low74 Ų74153.9 Ų153.976%0.76378%0.781SS**  trans-16934.6-167.800000117.3
260D31.6Very low34.6Very low163 Ų163155 Ų15587%0.87279%0.785SS**  trans60.4160.9155.5-139.1-8.7000121.2
261V33.1Very low34.8Very low115 Ų115156.6 Ų156.670%0.69779%0.785SS**  trans-103.9117.7-163.5176.70000112.3
262H37.2Very low35.2Very low194 Ų194156.2 Ų156.290%0.89879%0.79SS**  trans-138.1110.7156.3-82.4-35.6000113.8
263N31Very low35.3Very low151 Ų151155.6 Ų155.681%0.80780%0.799SS**  trans-69.8118.8171.1177.613.9000111
264R36.1Very low35.3Very low225 Ų225153.9 Ų153.985%0.84980%0.796SS**  trans-148.9110.7165.2-99.9-177.7-173.7-1702112.7
265N37.6Very low35.3Very low142 Ų142155.2 Ų155.276%0.75980%0.804SS**  trans42.4119.7140.5-57.6-10.1000119.5S267N265-S267 PolarHBondContact O-N 2.91Å
266F29.4Very low35.3Very low215 Ų215156.5 Ų156.594%0.94381%0.805SS**  trans-46.8122.9161.1-79.6-100.1000112
267S34.5Very low35.1Very low104 Ų104157.8 Ų157.873%0.72781%0.811SS**  trans-119.7110.2163.5-176.20000108N265 S269N265-S267 PolarHBondContact O-N 2.91Å; S267-S269 PolarHBondContact O-N 3.35Å; S267-S269 VanDerWaalsContact O-N 3.16Å
268V35.1Very low34.8Very low137 Ų137154.2 Ų154.283%0.8381%0.805SS**  trans-73.1104.2172.8176.80000107.6
269S32.5Very low34.8Very low92 Ų92149.3 Ų149.364%0.64379%0.794SS**PPolyproline II helixtrans-76.9133.8174.7-630000110.6S267S267-S269 PolarHBondContact O-N 3.35Å; S267-S269 VanDerWaalsContact O-N 3.16Å
270P37Very low34.9Very low122 Ų122152.8 Ų152.879%0.79280%0.795SS**PPolyproline II helixtrans-63.2147.4177.5-22.934.1000112.9
271W37.2Very low34.9Very low246 Ų246154.4 Ų154.493%0.93280%0.795SS**PPolyproline II helixtrans-71.6132.6177.4-69.448.6000110.1
272P39.1Very low35Very low119 Ų119153.5 Ų153.577%0.77379%0.793SS**PPolyproline II helixtrans-71146.7176.128.7-33.2000111.8N274P272-N274 PolarHBondContact O-N 3.48Å
273S34.4Very low34.7Very low112 Ų112155.5 Ų155.578%0.78379%0.792SS**PPolyproline II helixtrans-54.3125.6-176.248.20000114.1E275S273-E275 PolarHBondContact O-N 3.46Å
274N36.1Very low34.9Very low142 Ų142157.6 Ų157.676%0.75979%0.79SS**  trans-98.971.9-176.6-142.5-3.5000111.6P272 H276P272-N274 PolarHBondContact O-N 3.48Å; N274-H276 PolarHBondContact O-N 2.87Å
275E35.8Very low34.9Very low177 Ų177152.3 Ų152.383%0.82778%0.783SS**  trans-88.276.1172.9-69-164.1156.500111.8S273S273-E275 PolarHBondContact O-N 3.46Å
276H36.4Very low34.6Very low175 Ų175150.9 Ų150.981%0.8178%0.784SS**  trans-168.2-4.1149.2-123.1-72.1000118.8N274 Q278N274-H276 PolarHBondContact O-N 2.87Å; H276-Q278 PolarHBondContact O-N 3.49Å
277F34Very low34.9Very low187 Ų187148 Ų14882%0.8278%0.778SS**  trans-83.375.9-179.9-89.8-85.1000113.3A279F277-A279 PolarHBondContact O-N 2.94Å
278Q32.7Very low34.8Very low173 Ų173148 Ų14881%0.80878%0.778SS**  trans-7572167.1-168.3171.158.700110.6H276 N280H276-Q278 PolarHBondContact O-N 3.49Å; Q278-N280 PolarHBondContact O-N 3.49Å
279A35Very low34.8Very low71 Ų71149.1 Ų149.159%0.58778%0.779SS**  trans-70.2108.1173.200000110F277 F281F277-A279 PolarHBondContact O-N 2.94Å; A279-F281 PolarHBondContact O-N 2.73Å
280N36.8Very low34.7Very low146 Ų146149.6 Ų149.678%0.78178%0.782SS**  trans-71.195176.1-79.1-59.6000110.5Q278 C282Q278-N280 PolarHBondContact O-N 3.49Å; N280-C282 PolarHBondContact O-N 3.32Å
281F31.8Very low34.5Very low198 Ų198150.2 Ų150.287%0.86878%0.778SS**  trans-61.4100.2168.3-88.9-91.2000110.9A279A279-F281 PolarHBondContact O-N 2.73Å
282C34.8Very low34.4Very low96 Ų96146.9 Ų146.965%0.64978%0.778SS**  trans-102.893.7167.1-153.10000108.5N280 Y284N280-C282 PolarHBondContact O-N 3.32Å; C282-Y284 HydrophobicContact CB-CE2 4.42Å; C282-Y284 PolarHBondContact O-N 3.06Å; C282-Y284 VanDerWaalsContact O-N 3.07Å
283R32.1Very low34.2Very low236 Ų236147.2 Ų147.289%0.89177%0.773SS**  trans-55.2113.2173.2-69.3177.3177.1158.9-1.6109.2
284Y35.1Very low34.2Very low194 Ų194149.9 Ų149.976%0.76177%0.773SS**  trans-103.9108165.2-91.1-83.5000109C282C282-Y284 HydrophobicContact CB-CE2 4.42Å; C282-Y284 PolarHBondContact O-N 3.06Å; C282-Y284 VanDerWaalsContact O-N 3.07Å
285T36.4Very low34.2Very low115 Ų115151.1 Ų151.171%0.70678%0.778SS**  trans-66.7136.9172470000110.1L287T285-L287 PolarHBondContact O-N 3.02Å
286S30.7Very low34.1Very low112 Ų112147 Ų14778%0.78377%0.769SS**  trans-52.2123.2170.151.60000111.4
287L36.4Very low34Very low155 Ų155143.4 Ų143.481%0.81276%0.763SS**  trans-128.681.8163.1-78.1173.6000108.3T285T285-L287 PolarHBondContact O-N 3.02Å
288S31.3Very low34.2Very low104 Ų104143.9 Ų143.973%0.72777%0.767SS**  trans-73.4117.2147.952.10000107.5
289D35.7Very low34.3Very low160 Ų160141.3 Ų141.386%0.85677%0.768SS**  trans-159.7143.2148.8-94.8-33.1000108.6
290C30.2Very low34.5Very low102 Ų102143.5 Ų143.569%0.68978%0.777SS**  trans-108.6179.1-162.148.90000113.5
291N32Very low34.5Very low134 Ų134141.6 Ų141.672%0.71778%0.775SS**  trans77.7114171.4-53.2-38.6000117.4
292L35.7Very low34.7Very low176 Ų176138.6 Ų138.692%0.92177%0.773SS**  trans-143.9111.3130.1-158.867.8000109.8
293D34.7Very low34.8Very low126 Ų126139.2 Ų139.267%0.67478%0.779SS**  trans-72.8166.3172.1-70.2-66.9000112.4
294H34.7Very low35Very low169 Ų169135.3 Ų135.378%0.78277%0.774SS**  trans65122.5168.5-73.2-84.1000117.9
295I36.9Very low34.9Very low168 Ų168133 Ų13386%0.86277%0.77SS**  -158.3130.5104-88.5142.9000109.6
296S33.7Very low35Very low91 Ų91134.6 Ų134.664%0.63677%0.774SS**  trans-32.6128.5165.4-70.30000114.9
297S32.6Very low35Very low98 Ų98137.9 Ų137.969%0.68578%0.778SS**  55.210481.479.20000114.8
298E38.5Very low35.1Very low197 Ų197136.8 Ų136.892%0.92178%0.777SS**  trans-175.7116.1141.7-106.3165.7-15000112.6
299S36Very low35.1Very low119 Ų119141.9 Ų141.983%0.83279%0.786SS**  trans-127.6135.5153.1-67.40000104.6
300P37.8Very low35.2Very low118 Ų118138.6 Ų138.677%0.76678%0.775SS**  -156.1174.281.139.9-21000115.7
301S37.2Very low35.4Very low105 Ų105140.1 Ų140.173%0.73478%0.781SS**  168.3116.4126.7450000115.3
302T35.4Very low35.3Very low135 Ų135137.5 Ų137.583%0.82877%0.773SS**  45.9130.4129.865.40000123.3
303S37.7Very low35.5Very low110 Ų110136 Ų13677%0.76977%0.766SS**  178.1110.2114.8-174.90000115.2
304L35.6Very low35.6Very low153 Ų153136.6 Ų136.680%0.80177%0.769SS**  trans30.4139141.1-69.6168.1000125
305H33.5Very low36Very low145 Ų145136.5 Ų136.567%0.67177%0.766SS**  trans76.899.5142.7-109.4-82.3000121.1
306N38.5Very low36.1Very low149 Ų149132.5 Ų132.580%0.79775%0.753SS**  -169.515195.6-97.2-30000113.9
307Q31.4Very low36.2Very low182 Ų182135.3 Ų135.385%0.8576%0.756SS**  trans-85.5111.8-175.7-62.2177.11600112
308V39.2Very low36.4Very low131 Ų131135.3 Ų135.379%0.79476%0.756SS**  trans-136.5131.5148.7-173.50000106.7S310V308-S310 PolarHBondContact O-N 3.07Å
309K31.1Very low36.7Very low212 Ų212132.2 Ų132.292%0.92275%0.745SS**  trans-73.377.6174.6-73.8179.4176.2177.10110
310S37Very low37Very low90 Ų90132.4 Ų132.463%0.62974%0.737SS**  trans-72.5133.9160.651.10000109V308 S312V308-S310 PolarHBondContact O-N 3.07Å; S310-S312 VanDerWaalsContact C-N 3.26Å; S310-S312 PolarHBondContact O-N 2.97Å
311V34.2Very low36.9Very low135 Ų135133.4 Ų133.482%0.81874%0.735SS**  trans-75.986.1169.1-160.60000106.8L313V311-L313 PolarHBondContact O-N 2.96Å
312S30.9Very low36.7Very low78 Ų78133.5 Ų133.555%0.54573%0.732SS.*  trans-64.5108.9173.8-67.50000108.7S310 D314S310-S312 VanDerWaalsContact C-N 3.26Å; S310-S312 PolarHBondContact O-N 2.97Å; S312-D314 VanDerWaalsContact C-N 3.29Å; S312-D314 PolarHBondContact O-N 3.06Å; S312-D314 VanDerWaalsContact O-N 3.15Å
313L39.4Very low37.2Very low146 Ų146129.1 Ų129.176%0.76471%0.707SS**  trans-77.589.6162.1-72.4171.2000106.7V311 F315V311-L313 PolarHBondContact O-N 2.96Å; L313-F315 PolarHBondContact O-N 3.15Å
314D37.4Very low37.5Very low137 Ų137130.6 Ų130.673%0.73370%0.702SS**  trans-66.981.4173-62.4-28.9000109S312S312-D314 VanDerWaalsContact C-N 3.29Å; S312-D314 PolarHBondContact O-N 3.06Å; S312-D314 VanDerWaalsContact O-N 3.15Å
315F42Very low38.1Very low167 Ų167128.4 Ų128.473%0.73270%0.699SS**  trans-130.38.9-174.7-137-90.3000113.1L313L313-F315 PolarHBondContact O-N 3.15Å
316S39Very low38.8Very low84 Ų84127.9 Ų127.959%0.58770%0.697SS**SBendtrans-115.6-10.8-173.346.90000115L320S316-L320 WeakPolarHBondContact O-CD1 3.29Å
317E36.7Very low39.3Very low150 Ų150125.8 Ų125.870%0.70169%0.685SS**SBendtrans-96.5-15.9-170.3-149.7166.8-172.100114
318S37.1Very low40.2Very low98 Ų98122.4 Ų122.469%0.68567%0.672SS**THydrogen-bonded Turntrans-95.8-5-176.248.60000115.5
319L44.3Very low41.1Very low132 Ų132120.1 Ų120.169%0.69167%0.667SS**THydrogen-bonded Turntrans-114.2-9.1175.9-69.9178.8000114.5
320L41.9Very low42.4Very low124 Ų124117.9 Ų117.965%0.64966%0.659SS**THydrogen-bonded Turntrans-96.5-19.7-179.9-63.6179000113.7S316 T322S316-L320 WeakPolarHBondContact O-CD1 3.29Å; L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.85Å
321N35Very low43.7Very low138 Ų138117.8 Ų117.874%0.73866%0.658SS**THydrogen-bonded Turntrans-82.14.4-176.9-79.53.9000115.1
322T34.8Very low45.4Very low108 Ų108115.3 Ų115.366%0.66365%0.645SS**THydrogen-bonded Turntrans-108.5116.9169.6-49.30000109.2L320L320-T322 VanDerWaalsContact C-N 3.27Å; L320-T322 PolarHBondContact O-N 2.85Å
323S44.6Very low47.9Very low43 Ų43115.3 Ų115.330%0.30164%0.642SS.*THydrogen-bonded Turntrans86.32.6164.382.20000121.5S325 Q326 L327S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.81Å; S323-Q326 CarbonylContact O-C 3.47Å; S323-Q326 PolarHBondContact O-N 3.28Å; S323-L327 WeakPolarHBondContact O-CB 3.02Å; S323-L327 WeakPolarHBondContact O-CG 3.23Å; S323-L327 PolarHBondContact O-N 3.47Å; S323-L327 WeakPolarHBondContact OG-CD1 3.37Å
324E44.1Very low50.3Low141 Ų141113.5 Ų113.566%0.65963%0.631SS**Hα-helixtrans-57.5-46.1173.7-156.2-179-176.100111.3Q326 I328E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.95Å; E324-I328 HydrophobicContact CG-CD1 4.04Å; E324-I328 WeakPolarHBondContact O-CB 3.49Å; E324-I328 WeakPolarHBondContact O-CD1 3.42Å; E324-I328 WeakPolarHBondContact O-CG1 3.36Å; E324-I328 PolarHBondContact O-N 2.83Å
325S47.5Very low52.8Low107 Ų107109.8 Ų109.875%0.74861%0.609SS**Hα-helixtrans-67.6-15.1172.6-53.20000115.3S323S323-S325 VanDerWaalsContact C-N 3.31Å; S323-S325 PolarHBondContact O-N 2.81Å
326Q50.1Low55Low133 Ų133106 Ų10662%0.62160%0.599SS**Hα-helixtrans-97.2-35.5179.4-68.8175.3-19.700112S323 E324 A329S323-Q326 CarbonylContact O-C 3.47Å; S323-Q326 PolarHBondContact O-N 3.28Å; E324-Q326 VanDerWaalsContact C-N 3.26Å; E324-Q326 PolarHBondContact O-N 2.95Å; Q326-A329 PolarHBondContact O-N 3.46Å
327L47.1Very low57.4Low105 Ų105102.1 Ų102.155%0.5557%0.572SS.*Hα-helixtrans-69.7-40.4172-67.5169.9000110.9S323 A329 Q330 C331S323-L327 WeakPolarHBondContact O-CB 3.02Å; S323-L327 WeakPolarHBondContact O-CG 3.23Å; S323-L327 PolarHBondContact O-N 3.47Å; S323-L327 WeakPolarHBondContact OG-CD1 3.37Å; L327-A329 PolarHBondContact O-N 2.95Å; L327-Q330 PolarHBondContact O-N 3.43Å; L327-C331 PolarHBondContact O-N 2.87Å
328I51.9Low59.8Low112 Ų112102 Ų10257%0.57457%0.572SS**Hα-helixtrans-62.4-32.5173-67.9167.7000111.4E324 Q330 C331E324-I328 HydrophobicContact CG-CD1 4.04Å; E324-I328 WeakPolarHBondContact O-CB 3.49Å; E324-I328 WeakPolarHBondContact O-CD1 3.42Å; E324-I328 WeakPolarHBondContact O-CG1 3.36Å; E324-I328 PolarHBondContact O-N 2.83Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.4Å; I328-C331 PolarHBondContact O-N 3.47Å
329A56.7Low62.4Low83 Ų83100.1 Ų100.169%0.68656%0.563SS**Hα-helixtrans-71-21179.700000114.2Q326 L327Q326-A329 PolarHBondContact O-N 3.46Å; L327-A329 PolarHBondContact O-N 2.95Å
330Q59.5Low64.7Low164 Ų16496 Ų9677%0.76654%0.544SS*.Hα-helixtrans-92.5-17.8176.7-69.4-172.8-13.900113.7L327 I328 P332L327-Q330 PolarHBondContact O-N 3.43Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.4Å; Q330-P332 VanDerWaalsContact O-CD 3.3Å; Q330-P332 WeakPolarHBondContact O-CD 3.3Å
331C63Low67Low88 Ų8897.8 Ų97.860%0.59555%0.549SS*.SBendtrans-66.7119177.8-78.50000111.6L327 I328L327-C331 PolarHBondContact O-N 2.87Å; I328-C331 PolarHBondContact O-N 3.47Å
332P71.2Confident69.7Low84 Ų8496.4 Ų96.455%0.54554%0.538SS..PPolyproline II helixtrans-57.9136.8177.9-25.335.1000111.1Q330 M334Q330-P332 VanDerWaalsContact O-CD 3.3Å; Q330-P332 WeakPolarHBondContact O-CD 3.3Å; P332-M334 WeakPolarHBondContact O-CG 3.28Å; P332-M334 PolarHBondContact O-N 3.46Å; P332-M334 VanDerWaalsContact O-N 3.14Å
333P83.5Confident72.3Confident77 Ų7796.2 Ų96.250%0.553%0.532SS..PPolyproline II helixtrans-57.4124.2-172.821.7-33.2000110.9R346P333-R346 HydrophobicContact CB-CB 4.36Å; P333-R346 HydrophobicContact CG-CB 4.49Å; P333-R346 WeakPolarHBondContact O-CB 3.45Å; P333-R346 PolarHBondContact O-N 3.13Å
334M89.5Confident74.4Confident108 Ų10894.4 Ų94.453%0.53252%0.519SS..EExtended strand (participates in β ladder)trans-96.4160.1-178-54.8-165.995.500111.9P332 L343 I344P332-M334 WeakPolarHBondContact O-CG 3.28Å; P332-M334 PolarHBondContact O-N 3.46Å; P332-M334 VanDerWaalsContact O-N 3.14Å; M334-L343 HydrophobicContact CB-CD2 4.08Å; M334-L343 HydrophobicContact CE-CB 3.68Å; M334-L343 HydrophobicContact SD-CB 3.9Å; M334-L343 HydrophobicContact SD-CD1 4.09Å; M334-L343 HydrophobicContact SD-CG 4.4Å; M334-I344 CarbonylContact C-O 3.55Å; M334-I344 WeakPolarHBondContact CA-O 3.34Å
335K88.5Confident76.4Confident59 Ų5991.8 Ų91.826%0.25751%0.507SS..EExtended strand (participates in β ladder)trans-134.2155.8166.269-177.9173.9-159.60108.6I344 H345 R346 A348K335-I344 HydrophobicContact CD-CD1 4.45Å; K335-I344 HydrophobicContact CD-CG1 4.38Å; K335-I344 HydrophobicContact CG-CD1 4.21Å; K335-I344 HydrophobicContact CG-CG1 3.66Å; K335-I344 PolarHBondContact N-O 2.87Å; K335-I344 WeakPolarHBondContact O-CG1 3.35Å; K335-I344 PolarHBondContact O-N 2.97Å; K335-H345 VanDerWaalsContact CE-O 3.31Å; K335-H345 WeakPolarHBondContact CE-O 3.36Å; K335-R346 WeakPolarHBondContact CD-O 3.32Å; K335-R346 WeakPolarHBondContact CE-O 3.43Å; K335-R346 PolarHBondContact NZ-O 3.06Å; K335-A348 PolarHBondContact NZ-O 3.23Å
336T90.1Very high78.3Confident88 Ų8894.3 Ų94.354%0.5450%0.5SS..EExtended strand (participates in β ladder)trans-81.5142.2170.349.60000111.2Q341 Q342 L343T336-Q341 WeakPolarHBondContact CB-O 3.34Å; T336-Q341 WeakPolarHBondContact CG2-O 3.47Å; T336-Q342 CarbonylContact C-O 3.59Å; T336-L343 HydrophobicContact CG2-CD2 3.95Å
337C89.4Confident79.9Confident3 Ų393.4 Ų93.42%0.0250%0.499CS..  trans-71.4127.6171.6178.90000110.2A339 Q341 Q342 I344 C351C337-A339 PolarHBondContact O-N 3.34Å; C337-A339 VanDerWaalsContact O-N 3.15Å; C337-A339 PolarHBondContact SG-N 3.01Å; C337-A339 VanDerWaalsContact SG-N 3.44Å; C337-Q341 WeakPolarHBondContact O-CA 3.49Å; C337-Q341 PolarHBondContact O-N 2.98Å; C337-Q342 PolarHBondContact N-O 3.42Å; C337-I344 HydrophobicContact CB-CD1 4.1Å; C337-I344 HydrophobicContact CB-CG2 4.45Å; C337-C351 HydrophobicContact CB-CB 4.23Å; C337-C351 VanDerWaalsContact SG-CB 3.52Å
338Q86.2Confident81.7Confident146 Ų14689.3 Ų89.368%0.68248%0.481SS*.THydrogen-bonded Turntrans-68.4-11.3179.1-69.5-159.5-46.100115.2
339A90.9Very high83.3Confident60 Ų6088.7 Ų88.750%0.49648%0.484SS..THydrogen-bonded Turntrans-96.8-49.2178.200000113C337 T356C337-A339 PolarHBondContact O-N 3.34Å; C337-A339 VanDerWaalsContact O-N 3.15Å; C337-A339 PolarHBondContact SG-N 3.01Å; C337-A339 VanDerWaalsContact SG-N 3.44Å; A339-T356 HydrophobicContact CB-CG2 3.95Å
340C93Very high84.8Confident44 Ų4488.4 Ų88.430%0.29747%0.47SS..THydrogen-bonded Turntrans-111.95.2-177.164.30000114.6Q342 C351 C354C340-Q342 PolarHBondContact O-N 3.26Å; C340-C351 VanDerWaalsContact SG-SG 3.67Å; C340-C354 HydrophobicContact CB-CB 4.11Å; C340-C354 VanDerWaalsContact SG-SG 3.62Å
341Q91.3Very high86.3Confident163 Ų16380.6 Ų80.676%0.76243%0.434SS*.  trans62.7-7.9178.6-53.4-175.929.600116.5T336 C337T336-Q341 WeakPolarHBondContact CB-O 3.34Å; T336-Q341 WeakPolarHBondContact CG2-O 3.47Å; C337-Q341 WeakPolarHBondContact O-CA 3.49Å; C337-Q341 PolarHBondContact O-N 2.98Å
342Q90.1Very high87.6Confident109 Ų10980.2 Ų80.251%0.50943%0.43SS..  trans-64148.7178.9-67.5-65.9-14.600113.7T336 C337 C340 L353T336-Q342 CarbonylContact C-O 3.59Å; C337-Q342 PolarHBondContact N-O 3.42Å; C340-Q342 PolarHBondContact O-N 3.26Å; Q342-L353 HydrophobicContact CB-CD1 3.54Å; Q342-L353 HydrophobicContact CG-CD1 3.61Å
343L91.2Very high88.5Confident103 Ų10381.7 Ų81.754%0.53943%0.433SS..EExtended strand (participates in β ladder)trans-70131.3176.9-70.4169.3000111.2M334 T336M334-L343 HydrophobicContact CB-CD2 4.08Å; M334-L343 HydrophobicContact CE-CB 3.68Å; M334-L343 HydrophobicContact SD-CB 3.9Å; M334-L343 HydrophobicContact SD-CD1 4.09Å; M334-L343 HydrophobicContact SD-CG 4.4Å; T336-L343 HydrophobicContact CG2-CD2 3.95Å
344I88.5Confident88.9Confident5 Ų580.2 Ų80.23%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-139.2156.4178.962.9173.3000109.3M334 K335 C337 R346 C351 P352 S358M334-I344 CarbonylContact C-O 3.55Å; M334-I344 WeakPolarHBondContact CA-O 3.34Å; K335-I344 HydrophobicContact CD-CD1 4.45Å; K335-I344 HydrophobicContact CD-CG1 4.38Å; K335-I344 HydrophobicContact CG-CD1 4.21Å; K335-I344 HydrophobicContact CG-CG1 3.66Å; K335-I344 PolarHBondContact N-O 2.87Å; K335-I344 WeakPolarHBondContact O-CG1 3.35Å; K335-I344 PolarHBondContact O-N 2.97Å; C337-I344 HydrophobicContact CB-CD1 4.1Å; C337-I344 HydrophobicContact CB-CG2 4.45Å; I344-R346 PolarHBondContact O-N 2.85Å; I344-C351 HydrophobicContact CD1-CB 4.31Å; I344-C351 HydrophobicContact CG2-CB 4.49Å; I344-P352 HydrophobicContact CG2-CG 4.35Å; I344-S358 WeakPolarHBondContact CD1-OG 3.14Å
345H86Confident88.9Confident87 Ų8782.3 Ų82.340%0.40343%0.43SS..EExtended strand (participates in β ladder)trans-57.5138.4178-177.4-125.7000112K335 N347 A348K335-H345 VanDerWaalsContact CE-O 3.31Å; K335-H345 WeakPolarHBondContact CE-O 3.36Å; H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.08Å; H345-A348 HydrophobicContact CB-CB 4.28Å; H345-A348 VanDerWaalsContact O-CB 3.29Å; H345-A348 WeakPolarHBondContact O-CB 3.44Å; H345-A348 PolarHBondContact O-N 3.13Å
346R85.8Confident89Confident160 Ų16082.7 Ų82.760%0.60444%0.437SS*.THydrogen-bonded Turntrans-54.3-34.1-174.9-175174.7-173.3-168.84.4112.9P333 K335 I344P333-R346 HydrophobicContact CB-CB 4.36Å; P333-R346 HydrophobicContact CG-CB 4.49Å; P333-R346 WeakPolarHBondContact O-CB 3.45Å; P333-R346 PolarHBondContact O-N 3.13Å; K335-R346 WeakPolarHBondContact CD-O 3.32Å; K335-R346 WeakPolarHBondContact CE-O 3.43Å; K335-R346 PolarHBondContact NZ-O 3.06Å; I344-R346 PolarHBondContact O-N 2.85Å
347N85Confident88.7Confident113 Ų11386.2 Ų86.260%0.60445%0.445SS*.THydrogen-bonded Turntrans-94.60.6179.5-63.5-15.8000114.7H345 P349H345-N347 PolarHBondContact O-N 2.76Å; H345-N347 VanDerWaalsContact O-N 3.08Å; N347-P349 WeakPolarHBondContact O-CD 3.49Å
348A84.4Confident87.9Confident19 Ų1987.6 Ų87.616%0.15746%0.455CS..  trans-62.4122.4177.400000111.1K335 H345 I350K335-A348 PolarHBondContact NZ-O 3.23Å; H345-A348 HydrophobicContact CB-CB 4.28Å; H345-A348 VanDerWaalsContact O-CB 3.29Å; H345-A348 WeakPolarHBondContact O-CB 3.44Å; H345-A348 PolarHBondContact O-N 3.13Å; A348-I350 VanDerWaalsContact C-N 3.32Å
349P85.6Confident87.1Confident99 Ų9990.8 Ų90.864%0.64346%0.461SS*.SBendtrans-74.8-25.2-179.729.5-34.5000112.3N347 K357 S358N347-P349 WeakPolarHBondContact O-CD 3.49Å; P349-K357 WeakPolarHBondContact O-CA 3.44Å; P349-S358 PolarHBondContact O-N 3.21Å
350I88.4Confident86Confident78 Ų7891.8 Ų91.840%0.446%0.464SS..BIsolated β-bridgetrans-132.2140.3-176.6-62.1173.7000107.8A348 K355 K357A348-I350 VanDerWaalsContact C-N 3.32Å; I350-K355 HydrophobicContact CG2-CB 4.5Å; I350-K355 WeakPolarHBondContact CG2-O 3.37Å; I350-K357 HydrophobicContact CG1-CG 4.2Å
351C91.2Very high84.7Confident0 Ų0100.4 Ų100.40%049%0.49CS..  trans-70125.8170.7177.10000110.1C337 C340 I344 L353 C354 K355 T356C337-C351 HydrophobicContact CB-CB 4.23Å; C337-C351 VanDerWaalsContact SG-CB 3.52Å; C340-C351 VanDerWaalsContact SG-SG 3.67Å; I344-C351 HydrophobicContact CD1-CB 4.31Å; I344-C351 HydrophobicContact CG2-CB 4.49Å; C351-L353 PolarHBondContact O-N 3.26Å; C351-L353 PolarHBondContact SG-N 3.21Å; C351-C354 VanDerWaalsContact CB-SG 3.56Å; C351-K355 WeakPolarHBondContact O-CA 3.33Å; C351-K355 PolarHBondContact O-N 3.47Å; C351-T356 PolarHBondContact N-O 2.95Å
352P89.5Confident83.6Confident79 Ų7999.2 Ų99.251%0.51349%0.489SS..THydrogen-bonded Turntrans-63.2-28.8179.724.8-33.4000112.7I344 K355I344-P352 HydrophobicContact CG2-CG 4.35Å; P352-K355 WeakPolarHBondContact O-CE 3.3Å; P352-K355 PolarHBondContact O-NZ 2.91Å
353L89.7Confident82.3Confident116 Ų11699 Ų9961%0.60750%0.497SS*.THydrogen-bonded Turntrans-80.7-59.4-176.6-56.9173.9000112.3Q342 C351Q342-L353 HydrophobicContact CB-CD1 3.54Å; Q342-L353 HydrophobicContact CG-CD1 3.61Å; C351-L353 PolarHBondContact O-N 3.26Å; C351-L353 PolarHBondContact SG-N 3.21Å
354C92Very high81.4Confident46 Ų46104 Ų10431%0.31151%0.514SS..THydrogen-bonded Turntrans-99.14.9-174.8700000114.9C340 C351 T356C340-C354 HydrophobicContact CB-CB 4.11Å; C340-C354 VanDerWaalsContact SG-SG 3.62Å; C351-C354 VanDerWaalsContact CB-SG 3.56Å; C354-T356 PolarHBondContact O-N 3.14Å; C354-T356 PolarHBondContact O-OG1 3.29Å
355K90.9Very high80.5Confident152 Ų152113 Ų11366%0.66155%0.553SS**  trans53.69.5-177.9-47.5-53.8-175.1-1680116I350 C351 P352I350-K355 HydrophobicContact CG2-CB 4.5Å; I350-K355 WeakPolarHBondContact CG2-O 3.37Å; C351-K355 WeakPolarHBondContact O-CA 3.33Å; C351-K355 PolarHBondContact O-N 3.47Å; P352-K355 WeakPolarHBondContact O-CE 3.3Å; P352-K355 PolarHBondContact O-NZ 2.91Å
356T89.1Confident79.8Confident66 Ų66115 Ų11541%0.40557%0.574SS.*  trans-75.3135.2178.5-60.40000110.6A339 C351 C354 S358A339-T356 HydrophobicContact CB-CG2 3.95Å; C351-T356 PolarHBondContact N-O 2.95Å; C354-T356 PolarHBondContact O-N 3.14Å; C354-T356 PolarHBondContact O-OG1 3.29Å; T356-S358 PolarHBondContact O-N 3.07Å
357K84.9Confident78.9Confident162 Ų162117.3 Ų117.370%0.70459%0.588SS**BIsolated β-bridgetrans-63.1126.8174.8-72.7-177.2178.4-179.50110.6P349 I350 R359P349-K357 WeakPolarHBondContact O-CA 3.44Å; I350-K357 HydrophobicContact CG1-CG 4.2Å; K357-R359 PolarHBondContact O-N 3.46Å
358S72.6Confident77.9Confident32 Ų32117.5 Ų117.522%0.22460%0.599CS.*  trans-72.4110.7173.1-72.40000109.8I344 P349 T356 S360I344-S358 WeakPolarHBondContact CD1-OG 3.14Å; P349-S358 PolarHBondContact O-N 3.21Å; T356-S358 PolarHBondContact O-N 3.07Å; S358-S360 PolarHBondContact O-N 3.07Å
359R68.5Low76.8Confident214 Ų214127.3 Ų127.381%0.80863%0.632SS**  trans-71.2125.1173.3-68-175.7179.3-1201.6109.7K357K357-R359 PolarHBondContact O-N 3.46Å
360S68.1Low75.3Confident80 Ų80127.6 Ų127.656%0.55963%0.633SS**  trans-59.3136.1165.71730000109.4S358 N362S358-S360 PolarHBondContact O-N 3.07Å; S360-N362 PolarHBondContact O-N 3.39Å; S360-N362 PolarHBondContact OG-N 3.33Å; S360-N362 PolarHBondContact OG-O 3.27Å
361R65.3Low73.6Confident225 Ų225130.3 Ų130.385%0.84965%0.653SS**SBendtrans-64.2-20.9169.8-72.1-170.6176.2-144.12.4112.6P363R361-P363 VanDerWaalsContact C-CD 3.5Å; R361-P363 VanDerWaalsContact O-CD 3.27Å; R361-P363 WeakPolarHBondContact O-CD 3.48Å
362N69.2Low71.8Confident139 Ų139137.5 Ų137.574%0.74369%0.69SS**SBendtrans-114.981.6177.1-69.7-21000110.3S360 K364S360-N362 PolarHBondContact O-N 3.39Å; S360-N362 PolarHBondContact OG-N 3.33Å; S360-N362 PolarHBondContact OG-O 3.27Å; N362-K364 PolarHBondContact O-N 2.91Å
363P63Low69.9Low104 Ų104142.1 Ų142.168%0.67571%0.705SS**PPolyproline II helixtrans-69.2121.9169.928.1-32.5000110R361 K365R361-P363 VanDerWaalsContact C-CD 3.5Å; R361-P363 VanDerWaalsContact O-CD 3.27Å; R361-P363 WeakPolarHBondContact O-CD 3.48Å; P363-K365 PolarHBondContact O-N 3.2Å
364K72.4Confident67.6Low208 Ų208143.4 Ų143.490%0.90472%0.717SS**PPolyproline II helixtrans-63118.7171-68.3-178179.4178.90108.4N362N362-K364 PolarHBondContact O-N 2.91Å
365K69.9Low65.9Low195 Ų195146.7 Ų146.785%0.84874%0.736SS**PPolyproline II helixtrans-59.2132.1176.8-64.7-178.1-179.3-179.70109.5P363 K367P363-K365 PolarHBondContact O-N 3.2Å; K365-K367 PolarHBondContact O-N 3.18Å
366P70.7Confident63.7Low128 Ų128146.7 Ų146.783%0.83174%0.743SS**PPolyproline II helixtrans-64.1132.1173.326.7-33000109.8S368P366-S368 PolarHBondContact O-N 3.02Å
367K67Low61.8Low209 Ų209151.4 Ų151.491%0.90976%0.762SS**  trans-78.2111.5173.4-83.6179.2172.6178.70109.1K365 R369K365-K367 PolarHBondContact O-N 3.18Å; K367-R369 PolarHBondContact O-N 3.35Å
368S64.5Low60.2Low117 Ų117148.1 Ų148.182%0.81876%0.758SS**PPolyproline II helixtrans-58.8126.7165177.10000109.5P366P366-S368 PolarHBondContact O-N 3.02Å
369R59.8Low58.8Low225 Ų225153.7 Ų153.785%0.84979%0.785SS**PPolyproline II helixtrans-98.3124.8171.2-175.5-176.3-77.6-143.51.2107.6K367K367-R369 PolarHBondContact O-N 3.35Å
370P54.4Low57.7Low104 Ų104149 Ų14968%0.67579%0.785SS**PPolyproline II helixtrans-69.7139.4178.928.9-33.8000110.8
371V52.5Low56.6Low136 Ų136150.2 Ų150.282%0.82479%0.794SS**PPolyproline II helixtrans-87.4120.1168.8177.80000107.6
372I54.6Low56Low151 Ų151145.9 Ų145.977%0.77479%0.792SS**  trans-121.8134.9164.7-64.2-178.9000107
373Q47.8Very low54.6Low175 Ų175142.1 Ų142.182%0.81879%0.787SS**  trans-76.5149.1-169.5-66.4157.6-34.400111.2
374V42.5Very low53.9Low143 Ų143144.5 Ų144.587%0.86780%0.799SS**  trans-104.4127173.3179.50000108.1
375T55.4Low52.3Low115 Ų115139.6 Ų139.671%0.70679%0.791SS**  trans-125117.2170.449.40000110.2
376D46.5Very low51.3Low152 Ų152138 Ų13881%0.81379%0.791SS**  trans69103.7144-49.2-33.2000121
377M48.8Very low49.9Very low165 Ų165135.8 Ų135.881%0.81378%0.783SS**  trans-69.6168.1149-111.7-72.687.600109.9
378P51.6Low49.1Very low94 Ų94134 Ų13461%0.6178%0.783SS**  -161.8178.764.544.6-21.9000120.5
379N42.1Very low47.9Very low148 Ų148138.9 Ų138.979%0.79178%0.783SS**  trans77.5114.3148.8-62.4-25000122.4
380S45.3Very low47.2Very low116 Ų116135.4 Ų135.481%0.81178%0.78SS**  -167.6142.9102.269.60000113.8
381S44.6Very low47.1Very low106 Ų106138.4 Ų138.474%0.74179%0.789SS**  trans30.8130.5151.8-1490000119.9
382T52.4Low47.1Very low133 Ų133139.9 Ų139.982%0.81679%0.787SS**  -174.9149.850.2-45.80000110.3
383G41.6Very low46.8Very low61 Ų61139.5 Ų139.563%0.62979%0.786SS**  trans111.9103.9139.700000120.6
384V47.7Very low47.1Very low154 Ų154139.4 Ų139.493%0.93379%0.785SS**  trans73.1128.8145-1640000118.9
385S38.8Very low47.6Very low105 Ų105139.9 Ų139.973%0.73478%0.783SS**  trans-108.8141.8179.6177.20000110.7
386L47.7Very low47.3Very low162 Ų162147.2 Ų147.285%0.84881%0.809SS**  trans-146.1110.1158.6-119.2169000109
387A42.9Very low47.3Very low80 Ų80147 Ų14766%0.66181%0.809SS**  trans-108.3118.1177.800000109.8
388L49.4Very low47.3Very low173 Ų173146 Ų14691%0.90681%0.809SS**  trans-117.5145.5146.3-98.691000108.5
389R40.5Very low47Very low218 Ų218148.9 Ų148.982%0.82382%0.82SS**  trans-144.6154.8-156.8-157.4-170.3-156.8-173.87.3108.3
390L44Very low47.3Very low152 Ų152148.9 Ų148.980%0.79682%0.822SS**  trans74.6146.5174.7-41.4174.5000112.1
391I52.6Low47.4Very low167 Ų167151 Ų15186%0.85682%0.822SS**  cis-126.5148.323.6-64.9164.5000110.8
392H51.8Low47.6Very low168 Ų168154 Ų15478%0.77883%0.828SS**  trans-106.3147.5-179.1-170.3-74000109.7
393D49.6Very low47.3Very low143 Ų143155.5 Ų155.577%0.76583%0.829SS**  trans-61139.8171.7-69.5-68.1000112.3
394H54.4Low47.7Very low172 Ų172162.8 Ų162.880%0.79684%0.844SS**  -165.3127124-119.1-78.9000111.2
395N52Low47.7Very low154 Ų154163.5 Ų163.582%0.82484%0.837SS**  trans-88.2156.8154.6-95.8-27.5000108.8
396E48.8Very low48.5Very low268 Ų268168.8 Ų168.8100%1.25285%0.846SS**  trans66.30-178.8-59.7-165.9132.900117

Retrieved 396 of 396 residues in 68.6 ms (Link to these results)