A0A077ZBT9_TRITR Loading...

Protein swsn isoform

AlphaFold DB , UniProt , Accession A0A077ZBT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 516 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
1M50.4Low58.5Low195 Ų195125.7 Ų125.796%0.96163%0.627SS**  0-59.50-77.4-166.5-177.700112.8E3 F4 M5M1-E3 PolarHBondContact O-N 2.75Å; M1-F4 WeakPolarHBondContact O-CB 3.29Å; M1-F4 PolarHBondContact O-N 2.6Å; M1-M5 PolarHBondContact O-N 2.86Å; M1-M5 VanDerWaalsContact O-N 3.11Å
2Y48.6Very low59.2Low205 Ų205126.1 Ų126.180%0.80462%0.622SS**Hα-helixtrans-50.6-45.7-171.5-77-79.1000115.5F4 M5 A6Y2-F4 VanDerWaalsContact C-N 3.31Å; Y2-F4 PolarHBondContact O-N 2.79Å; Y2-M5 PolarHBondContact O-N 2.86Å; Y2-A6 WeakPolarHBondContact O-CB 3.33Å; Y2-A6 PolarHBondContact O-N 3.25Å
3E51Low60.1Low161 Ų161125.1 Ų125.175%0.75262%0.617SS**Hα-helixtrans-61.5-37.1176.6-63.9-177.5127.200113.2M1 A6 L7M1-E3 PolarHBondContact O-N 2.75Å; E3-A6 PolarHBondContact O-N 3.04Å; E3-L7 WeakPolarHBondContact O-CG 3.39Å; E3-L7 PolarHBondContact O-N 2.93Å
4F51.1Low60.9Low152 Ų152121.7 Ų121.767%0.66760%0.601SS**Hα-helixtrans-68.8-39.3178.1-160.3-90.6000111.3M1 Y2 C8M1-F4 WeakPolarHBondContact O-CB 3.29Å; M1-F4 PolarHBondContact O-N 2.6Å; Y2-F4 VanDerWaalsContact C-N 3.31Å; Y2-F4 PolarHBondContact O-N 2.79Å; F4-C8 PolarHBondContact O-N 3.19Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.32Å
5M56.6Low61.5Low116 Ų116119.9 Ų119.957%0.57159%0.594SS**Hα-helixtrans-64-40.6170.6-72-169.8177.900112M1 Y2 C8 A9M1-M5 PolarHBondContact O-N 2.86Å; M1-M5 VanDerWaalsContact O-N 3.11Å; Y2-M5 PolarHBondContact O-N 2.86Å; M5-C8 PolarHBondContact O-N 3.44Å; M5-A9 WeakPolarHBondContact O-CB 3.48Å; M5-A9 PolarHBondContact O-N 3.05Å
6A61.8Low61.9Low60 Ų60121.2 Ų121.250%0.49659%0.591SS.*Hα-helixtrans-62.6-44.5177.800000111.7Y2 E3 A9 Y10Y2-A6 WeakPolarHBondContact O-CB 3.33Å; Y2-A6 PolarHBondContact O-N 3.25Å; E3-A6 PolarHBondContact O-N 3.04Å; A6-A9 PolarHBondContact O-N 2.86Å; A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.37Å
7L61.3Low62.3Low112 Ų112116.9 Ų116.959%0.58658%0.58SS**Hα-helixtrans-60.8-50.8174.4-73.5166.8000111.7E3 A9 Y10 D11E3-L7 WeakPolarHBondContact O-CG 3.39Å; E3-L7 PolarHBondContact O-N 2.93Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.95Å; L7-Y10 WeakPolarHBondContact O-CB 3.47Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-Y10 VanDerWaalsContact O-N 3.07Å; L7-D11 PolarHBondContact O-N 3.27Å
8C60.8Low62.8Low63 Ų63113.6 Ų113.643%0.42657%0.567SS.*Hα-helixtrans-60-37.7177.7-68.60000112.8F4 M5 F12F4-C8 PolarHBondContact O-N 3.19Å; F4-C8 PolarHBondContact O-SG 3.41Å; F4-C8 VanDerWaalsContact O-SG 3.32Å; M5-C8 PolarHBondContact O-N 3.44Å; C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 2.78Å; C8-F12 VanDerWaalsContact O-N 3.1Å
9A65.5Low63Low56 Ų56113.2 Ų113.246%0.46356%0.563SS.*Hα-helixtrans-67.4-37.6174.800000112.2M5 A6 L7 F12 M13M5-A9 WeakPolarHBondContact O-CB 3.48Å; M5-A9 PolarHBondContact O-N 3.05Å; A6-A9 PolarHBondContact O-N 2.86Å; L7-A9 VanDerWaalsContact C-N 3.29Å; L7-A9 PolarHBondContact O-N 2.95Å; A9-F12 PolarHBondContact O-N 3.16Å; A9-M13 WeakPolarHBondContact O-CB 3.38Å; A9-M13 VanDerWaalsContact O-CG 3.26Å; A9-M13 WeakPolarHBondContact O-CG 3.47Å; A9-M13 PolarHBondContact O-N 2.91Å
10Y69.5Low63.4Low167 Ų167113.1 Ų113.166%0.65556%0.564SS**Hα-helixtrans-66.7-45.3177.7-149.4-98.4000111.7A6 L7 F12 M13 I14A6-Y10 WeakPolarHBondContact O-CB 3.46Å; A6-Y10 PolarHBondContact O-N 3.37Å; L7-Y10 WeakPolarHBondContact O-CB 3.47Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-Y10 VanDerWaalsContact O-N 3.07Å; Y10-F12 PolarHBondContact O-N 2.79Å; Y10-M13 PolarHBondContact O-N 2.9Å; Y10-I14 HydrophobicContact CD1-CD1 3.63Å; Y10-I14 HydrophobicContact CD1-CG1 4.31Å; Y10-I14 HydrophobicContact CE1-CD1 3.81Å; Y10-I14 HydrophobicContact CE1-CG1 4.45Å; Y10-I14 WeakPolarHBondContact O-CG1 3.31Å; Y10-I14 PolarHBondContact O-N 2.69Å
11D66.8Low63.7Low96 Ų96115.2 Ų115.251%0.51357%0.57SS.*Hα-helixtrans-60.1-43.7173.9-77.9-26.7000111.7L7 M13 I14 I15L7-D11 PolarHBondContact O-N 3.27Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 2.99Å; D11-I14 PolarHBondContact O-N 2.79Å; D11-I15 WeakPolarHBondContact O-CB 3.3Å; D11-I15 VanDerWaalsContact O-CG1 3.27Å; D11-I15 WeakPolarHBondContact O-CG1 3.49Å; D11-I15 PolarHBondContact O-N 2.74Å
12F66.4Low64.5Low130 Ų130108.7 Ų108.757%0.5754%0.538SS*.Hα-helixtrans-62-41.8177.9-143.8-95.9000111.6C8 A9 Y10 I15 Y16C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 2.78Å; C8-F12 VanDerWaalsContact O-N 3.1Å; A9-F12 PolarHBondContact O-N 3.16Å; Y10-F12 PolarHBondContact O-N 2.79Å; F12-I15 PolarHBondContact O-N 3.24Å; F12-Y16 AromaticContact CD1-CD2 3.8Å; F12-Y16 HydrophobicContact CD1-CD2 3.8Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 AromaticContact CE1-CD2 3.81Å; F12-Y16 HydrophobicContact CE1-CD2 3.81Å; F12-Y16 AromaticContact CE1-CE2 3.36Å; F12-Y16 HydrophobicContact CE1-CE2 3.36Å; F12-Y16 AromaticContact CZ-CE2 4Å; F12-Y16 HydrophobicContact CZ-CE2 4Å; F12-Y16 PolarHBondContact O-N 3.26Å
13M71.1Confident65.3Low113 Ų113101.7 Ų101.756%0.55752%0.523SS*.Hα-helixtrans-64-43174.8-75.7-79.9-82.800112.3A9 Y10 D11 A17 F474A9-M13 WeakPolarHBondContact O-CB 3.38Å; A9-M13 VanDerWaalsContact O-CG 3.26Å; A9-M13 WeakPolarHBondContact O-CG 3.47Å; A9-M13 PolarHBondContact O-N 2.91Å; Y10-M13 PolarHBondContact O-N 2.9Å; D11-M13 VanDerWaalsContact C-N 3.33Å; D11-M13 PolarHBondContact O-N 2.99Å; M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.36Å; M13-A17 PolarHBondContact O-N 3.1Å; M13-F474 HydrophobicContact SD-CE1 4.14Å; M13-F474 HydrophobicContact SD-CZ 3.88Å
14I72.3Confident66.2Low78 Ų78101.1 Ų101.140%0.452%0.518SS..Hα-helixtrans-62.3-48.5176-71.3170.2000110.5Y10 D11 Y16 A17 T18Y10-I14 HydrophobicContact CD1-CD1 3.63Å; Y10-I14 HydrophobicContact CD1-CG1 4.31Å; Y10-I14 HydrophobicContact CE1-CD1 3.81Å; Y10-I14 HydrophobicContact CE1-CG1 4.45Å; Y10-I14 WeakPolarHBondContact O-CG1 3.31Å; Y10-I14 PolarHBondContact O-N 2.69Å; D11-I14 PolarHBondContact O-N 2.79Å; I14-Y16 PolarHBondContact O-N 2.93Å; I14-A17 PolarHBondContact O-N 3.35Å; I14-T18 WeakPolarHBondContact O-CG2 3.48Å; I14-T18 PolarHBondContact O-N 2.99Å
15I69.5Low66.9Low95 Ų9599.2 Ų99.249%0.48751%0.511SS..Hα-helixtrans-57.7-51.3179.6-69.5164.9000110.1D11 F12 A17 T18 E19D11-I15 WeakPolarHBondContact O-CB 3.3Å; D11-I15 VanDerWaalsContact O-CG1 3.27Å; D11-I15 WeakPolarHBondContact O-CG1 3.49Å; D11-I15 PolarHBondContact O-N 2.74Å; F12-I15 PolarHBondContact O-N 3.24Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.43Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.12Å; I15-T18 PolarHBondContact O-OG1 3.49Å; I15-E19 PolarHBondContact O-N 2.72Å
16Y67.4Low67.3Low140 Ų14097.2 Ų97.255%0.54951%0.505SS..Hα-helixtrans-62-38.1177.6-95.3-91.5000113.2F12 I14 T18 E19 L20F12-Y16 AromaticContact CD1-CD2 3.8Å; F12-Y16 HydrophobicContact CD1-CD2 3.8Å; F12-Y16 AromaticContact CD1-CE2 3.86Å; F12-Y16 HydrophobicContact CD1-CE2 3.86Å; F12-Y16 AromaticContact CE1-CD2 3.81Å; F12-Y16 HydrophobicContact CE1-CD2 3.81Å; F12-Y16 AromaticContact CE1-CE2 3.36Å; F12-Y16 HydrophobicContact CE1-CE2 3.36Å; F12-Y16 AromaticContact CZ-CE2 4Å; F12-Y16 HydrophobicContact CZ-CE2 4Å; F12-Y16 PolarHBondContact O-N 3.26Å; I14-Y16 PolarHBondContact O-N 2.93Å; Y16-T18 VanDerWaalsContact C-N 3.3Å; Y16-T18 PolarHBondContact O-N 2.91Å; Y16-E19 PolarHBondContact O-N 2.9Å; Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 PolarHBondContact O-N 2.96Å
17A69.5Low67.4Low48 Ų4897.3 Ų97.340%0.39751%0.506SS..Hα-helixtrans-64.5-33.2175.300000112.7M13 I14 I15 K21M13-A17 VanDerWaalsContact O-CB 3.28Å; M13-A17 WeakPolarHBondContact O-CB 3.36Å; M13-A17 PolarHBondContact O-N 3.1Å; I14-A17 PolarHBondContact O-N 3.35Å; I15-A17 VanDerWaalsContact C-N 3.35Å; I15-A17 PolarHBondContact O-N 3.43Å; A17-K21 WeakPolarHBondContact O-CG 3.32Å; A17-K21 PolarHBondContact O-N 3.26Å
18T70.7Confident67.3Low57 Ų5793.8 Ų93.835%0.3550%0.497SS..Hα-helixtrans-73.2-42.1173.666.40000112.7I14 I15 Y16 L20 K21 L22I14-T18 WeakPolarHBondContact O-CG2 3.48Å; I14-T18 PolarHBondContact O-N 2.99Å; I15-T18 PolarHBondContact O-N 3.17Å; I15-T18 VanDerWaalsContact O-N 3.12Å; I15-T18 PolarHBondContact O-OG1 3.49Å; Y16-T18 VanDerWaalsContact C-N 3.3Å; Y16-T18 PolarHBondContact O-N 2.91Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.49Å; T18-K21 PolarHBondContact O-N 2.95Å; T18-L22 WeakPolarHBondContact O-CB 3.43Å; T18-L22 PolarHBondContact O-N 3.46Å
19E67.6Low67.3Low107 Ų10794.1 Ų94.150%0.550%0.497SS..Hα-helixtrans-64.2-38.2175.6-66.9-123.114100111.5I15 Y16 L22 A23I15-E19 PolarHBondContact O-N 2.72Å; Y16-E19 PolarHBondContact O-N 2.9Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.14Å; E19-A23 WeakPolarHBondContact O-CB 3.4Å; E19-A23 PolarHBondContact O-N 3.2Å
20L69.4Low66.5Low110 Ų11097 Ų9758%0.57650%0.503SS*.Hα-helixtrans-68.6-36.2177.1-152.983.7000112.7Y16 T18 K24Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 PolarHBondContact O-N 2.96Å; T18-L20 VanDerWaalsContact C-N 3.34Å; T18-L20 PolarHBondContact O-N 3.49Å; L20-K24 WeakPolarHBondContact O-CG 3.46Å; L20-K24 PolarHBondContact O-N 2.75Å
21K70Confident65.9Low159 Ų15992.4 Ų92.469%0.69150%0.495SS*.Hα-helixtrans-65.8-41.8171.4-78.2174.9179176.10111.3A17 T18 K24 H25A17-K21 WeakPolarHBondContact O-CG 3.32Å; A17-K21 PolarHBondContact O-N 3.26Å; T18-K21 PolarHBondContact O-N 2.95Å; K21-K24 PolarHBondContact O-N 3.37Å; K21-H25 PolarHBondContact O-N 2.91Å
22L67.9Low65.1Low57 Ų5793 Ų9330%0.29850%0.497SS..Hα-helixtrans-62-48.1175.7-175.173.2000111.6T18 E19 K24 H25 V26 Y286T18-L22 WeakPolarHBondContact O-CB 3.43Å; T18-L22 PolarHBondContact O-N 3.46Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.14Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3Å; L22-H25 PolarHBondContact O-N 3.31Å; L22-V26 HydrophobicContact CG-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.23Å; L22-Y286 HydrophobicContact CD1-CE2 4Å; L22-Y286 VanDerWaalsContact CD1-OH 3.31Å; L22-Y286 WeakPolarHBondContact CD1-OH 3.35Å; L22-Y286 HydrophobicContact CD2-CE1 4.3Å; L22-Y286 HydrophobicContact CD2-CE2 4.38Å; L22-Y286 WeakPolarHBondContact CD2-OH 3.46Å
23A65.2Low64.6Low58 Ų5888.7 Ų88.748%0.47949%0.486SS..Hα-helixtrans-57.9-41.1178.100000112E19 V26 A27E19-A23 WeakPolarHBondContact O-CB 3.4Å; E19-A23 PolarHBondContact O-N 3.2Å; A23-V26 PolarHBondContact O-N 2.87Å; A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.11Å; A23-A27 PolarHBondContact O-N 3.34Å
24K70.3Confident63.6Low150 Ų15086.1 Ų86.165%0.65248%0.482SS*.Hα-helixtrans-64.7-39.2173.2-72.3-179.8179.3-173.40112.6L20 K21 L22 G28L20-K24 WeakPolarHBondContact O-CG 3.46Å; L20-K24 PolarHBondContact O-N 2.75Å; K21-K24 PolarHBondContact O-N 3.37Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3Å; K24-G28 PolarHBondContact O-N 3.16Å
25H66.1Low62.6Low111 Ų11188.3 Ų88.351%0.51449%0.492SS..Hα-helixtrans-69-39.6176.6-167.1-115.7000112.8K21 L22 G28 T29K21-H25 PolarHBondContact O-N 2.91Å; L22-H25 PolarHBondContact O-N 3.31Å; H25-G28 PolarHBondContact O-N 2.95Å; H25-T29 WeakPolarHBondContact O-CG2 3.44Å; H25-T29 PolarHBondContact O-N 3.48Å; H25-T29 PolarHBondContact O-OG1 2.92Å
26V65.3Low61.8Low75 Ų7590 Ų9046%0.45550%0.498SS..Hα-helixtrans-67.4-43.5175173.90000110.9L22 A23 G28 T29 M30L22-V26 HydrophobicContact CG-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.47Å; L22-V26 PolarHBondContact O-N 3.23Å; A23-V26 PolarHBondContact O-N 2.87Å; V26-G28 VanDerWaalsContact C-N 3.35Å; V26-G28 PolarHBondContact O-N 3.43Å; V26-T29 WeakPolarHBondContact CA-OG1 3.39Å; V26-T29 PolarHBondContact O-N 2.96Å; V26-T29 PolarHBondContact O-OG1 3Å; V26-M30 HydrophobicContact CG1-CG 4.17Å; V26-M30 VanDerWaalsContact O-CB 3.25Å; V26-M30 WeakPolarHBondContact O-CB 3.49Å; V26-M30 WeakPolarHBondContact O-CG 3.17Å; V26-M30 PolarHBondContact O-N 2.98Å
27A62.3Low61.1Low61 Ų6192.6 Ų92.650%0.50451%0.507SS..Hα-helixtrans-61.9-41.617400000112.2A23 S31A23-A27 VanDerWaalsContact O-CB 3.31Å; A23-A27 WeakPolarHBondContact O-CB 3.11Å; A23-A27 PolarHBondContact O-N 3.34Å; A27-S31 WeakPolarHBondContact O-CB 3.43Å; A27-S31 PolarHBondContact O-N 2.91Å
28G59.2Low60.1Low39 Ų3995.1 Ų95.140%0.40252%0.522SS..Hα-helixtrans-61.6-49.2175.200000112.8K24 H25 V26 S31 L32K24-G28 PolarHBondContact O-N 3.16Å; H25-G28 PolarHBondContact O-N 2.95Å; V26-G28 VanDerWaalsContact C-N 3.35Å; V26-G28 PolarHBondContact O-N 3.43Å; G28-S31 PolarHBondContact O-N 2.84Å; G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 PolarHBondContact O-N 3.44Å
29T60.3Low59.1Low70 Ų70102.9 Ų102.943%0.42955%0.545SS..Hα-helixtrans-70.1-34.3179.151.10000112.8H25 V26 L32 A33H25-T29 WeakPolarHBondContact O-CG2 3.44Å; H25-T29 PolarHBondContact O-N 3.48Å; H25-T29 PolarHBondContact O-OG1 2.92Å; V26-T29 WeakPolarHBondContact CA-OG1 3.39Å; V26-T29 PolarHBondContact O-N 2.96Å; V26-T29 PolarHBondContact O-OG1 3Å; T29-L32 PolarHBondContact O-N 3.26Å; T29-A33 WeakPolarHBondContact O-CB 3.4Å; T29-A33 PolarHBondContact O-N 3.45Å
30M50.1Low57.9Low117 Ų117101 Ų10158%0.57655%0.547SS*.Hα-helixtrans-63.3-44.4171.1-73-98.467.200112V26 A33 A34V26-M30 HydrophobicContact CG1-CG 4.17Å; V26-M30 VanDerWaalsContact O-CB 3.25Å; V26-M30 WeakPolarHBondContact O-CB 3.49Å; V26-M30 WeakPolarHBondContact O-CG 3.17Å; V26-M30 PolarHBondContact O-N 2.98Å; M30-A33 PolarHBondContact O-N 3.45Å; M30-A34 WeakPolarHBondContact O-CB 3.37Å; M30-A34 PolarHBondContact O-N 2.68Å
31S56Low56.7Low70 Ų70101.8 Ų101.849%0.4956%0.557SS.*Hα-helixtrans-61.9-45.5175.4-177.90000111.6A27 G28 A33 A34 M35A27-S31 WeakPolarHBondContact O-CB 3.43Å; A27-S31 PolarHBondContact O-N 2.91Å; G28-S31 PolarHBondContact O-N 2.84Å; S31-A33 PolarHBondContact O-N 3.08Å; S31-A34 PolarHBondContact O-N 3.35Å; S31-M35 WeakPolarHBondContact O-CB 3.5Å; S31-M35 PolarHBondContact O-N 3.22Å
32L51.4Low55.2Low107 Ų10797.7 Ų97.756%0.5655%0.553SS**Hα-helixtrans-67.2-37.2179.1-152.3145.5000111.6G28 T29 M35 H36G28-L32 WeakPolarHBondContact O-CB 3.46Å; G28-L32 PolarHBondContact O-N 3.44Å; T29-L32 PolarHBondContact O-N 3.26Å; L32-M35 PolarHBondContact O-N 3.03Å; L32-H36 WeakPolarHBondContact O-CB 3.42Å; L32-H36 PolarHBondContact O-CD2 2.88Å; L32-H36 PolarHBondContact O-N 3.15Å
33A54.6Low54Low40 Ų40101.4 Ų101.433%0.33158%0.577SS.*Hα-helixtrans-67.7-39.2172.800000112.9T29 M30 S31 H36 R37T29-A33 WeakPolarHBondContact O-CB 3.4Å; T29-A33 PolarHBondContact O-N 3.45Å; M30-A33 PolarHBondContact O-N 3.45Å; S31-A33 PolarHBondContact O-N 3.08Å; A33-H36 PolarHBondContact O-N 3.15Å; A33-R37 WeakPolarHBondContact O-CG 3.33Å; A33-R37 PolarHBondContact O-N 2.69Å
34A51.4Low52.7Low59 Ų59103.6 Ų103.649%0.48859%0.589SS.*Hα-helixtrans-65-41.9173.700000111.5M30 S31 H36 R37 S38M30-A34 WeakPolarHBondContact O-CB 3.37Å; M30-A34 PolarHBondContact O-N 2.68Å; S31-A34 PolarHBondContact O-N 3.35Å; A34-H36 VanDerWaalsContact C-N 3.33Å; A34-H36 PolarHBondContact O-N 3.01Å; A34-R37 PolarHBondContact O-N 2.9Å; A34-S38 WeakPolarHBondContact O-CB 3.5Å; A34-S38 PolarHBondContact O-N 3.26Å
35M51.4Low50.9Low124 Ų124106.2 Ų106.261%0.61160%0.603SS**Hα-helixtrans-64.7-35.4175.5-160.2-175.1-56.300112.1S31 L32 R39S31-M35 WeakPolarHBondContact O-CB 3.5Å; S31-M35 PolarHBondContact O-N 3.22Å; L32-M35 PolarHBondContact O-N 3.03Å; M35-R39 WeakPolarHBondContact O-CB 3.1Å; M35-R39 PolarHBondContact O-N 2.9Å
36H52.4Low49.5Very low131 Ų131104.8 Ų104.861%0.60661%0.61SS**Hα-helixtrans-70.4-42.2171.1-93.5-96.8000113L32 A33 A34 R39 A40L32-H36 WeakPolarHBondContact O-CB 3.42Å; L32-H36 PolarHBondContact O-CD2 2.88Å; L32-H36 PolarHBondContact O-N 3.15Å; A33-H36 PolarHBondContact O-N 3.15Å; A34-H36 VanDerWaalsContact C-N 3.33Å; A34-H36 PolarHBondContact O-N 3.01Å; H36-R39 CarbonylContact O-C 3.31Å; H36-R39 PolarHBondContact O-N 2.77Å; H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.49Å; H36-A40 VanDerWaalsContact O-N 3.14Å
37R52Low48.4Very low195 Ų195108.6 Ų108.674%0.73663%0.626SS**Hα-helixtrans-61-48.5176.3-76-179.4-175.6-166.32.1111.7A33 A34 R39 A40 T41A33-R37 WeakPolarHBondContact O-CG 3.33Å; A33-R37 PolarHBondContact O-N 2.69Å; A34-R37 PolarHBondContact O-N 2.9Å; R37-R39 PolarHBondContact O-N 3.02Å; R37-R39 VanDerWaalsContact O-N 3.09Å; R37-A40 PolarHBondContact O-N 3.32Å; R37-T41 PolarHBondContact O-N 3.11Å; R37-T41 PolarHBondContact O-OG1 2.95Å; R37-T41 VanDerWaalsContact O-OG1 3.12Å
38S49.3Very low47.2Very low101 Ų101113.2 Ų113.271%0.70665%0.648SS**Hα-helixtrans-60.2-20.6177.2-168.50000113.4A34A34-S38 WeakPolarHBondContact O-CB 3.5Å; A34-S38 PolarHBondContact O-N 3.26Å
39R48.2Very low46Very low220 Ų220114.2 Ų114.283%0.8366%0.658SS**THydrogen-bonded Turntrans-1001.3176.9-152.7171.9-172.6170.22.1113.8M35 H36 R37M35-R39 WeakPolarHBondContact O-CB 3.1Å; M35-R39 PolarHBondContact O-N 2.9Å; H36-R39 CarbonylContact O-C 3.31Å; H36-R39 PolarHBondContact O-N 2.77Å; R37-R39 PolarHBondContact O-N 3.02Å; R37-R39 VanDerWaalsContact O-N 3.09Å
40A43.9Very low45Very low67 Ų67120 Ų12055%0.55468%0.68SS**THydrogen-bonded Turntrans-118.4-11.2-178.500000113.7H36 R37 A42H36-A40 WeakPolarHBondContact O-CB 3.37Å; H36-A40 PolarHBondContact O-N 3.49Å; H36-A40 VanDerWaalsContact O-N 3.14Å; R37-A40 PolarHBondContact O-N 3.32Å; A40-A42 PolarHBondContact O-N 3.26Å
41T43.9Very low44.5Very low127 Ų127124.4 Ų124.478%0.77970%0.696SS**SBendtrans-74.33.8170.813.20000114.3R37R37-T41 PolarHBondContact O-N 3.11Å; R37-T41 PolarHBondContact O-OG1 2.95Å; R37-T41 VanDerWaalsContact O-OG1 3.12Å
42A39Very low43.8Very low73 Ų73132.3 Ų132.360%0.60372%0.715SS**SBendtrans-116.9135.7165.700000108.9A40A40-A42 PolarHBondContact O-N 3.26Å
43V40.8Very low43.2Very low134 Ų134131.2 Ų131.281%0.81273%0.73SS**SBendtrans82.2143.9-168.8-171.50000113.9
44S38.6Very low42.8Very low104 Ų104137.1 Ų137.173%0.72776%0.756SS**  trans70.267.6170.442.50000119.2
45H33Very low42.3Very low206 Ų206143.6 Ų143.695%0.95477%0.773SS**  -74.1112.4125.4-96.3-93.3000107.7
46A36.3Very low41.8Very low80 Ų80145.9 Ų145.966%0.66179%0.786SS**  trans-169.5119162.500000113.8
47I43.2Very low41.4Very low155 Ų155145.5 Ų145.580%0.79579%0.793SS**  trans61.6104.9136.4-55.5171.6000118
48V36Very low40.9Very low159 Ų159143.7 Ų143.796%0.96480%0.797SS**  trans-71.7124.5139.6174.40000107.2
49G35.4Very low40.4Very low59 Ų59150.4 Ų150.461%0.60881%0.807SS**  trans-178.3153.8-177.200000113.6
50E38.1Very low40.1Very low191 Ų191146.8 Ų146.889%0.89380%0.803SS**  trans-83.5164.7-164.7-72.1-175.590.900116.7R52E50-R52 PolarHBondContact O-N 3.37Å
51K39.9Very low40.1Very low210 Ų210149.6 Ų149.691%0.91382%0.816SS**  trans-50.784.9178.8-56163.1-177.3166.60114.7
52R41.1Very low39.8Very low236 Ų236148.8 Ų148.889%0.89182%0.815SS**  trans-134.4126157-63.4-169.4-172.5-147.40.5110.8E50E50-R52 PolarHBondContact O-N 3.37Å
53G38.2Very low40.1Very low85 Ų85155.1 Ų155.188%0.87683%0.829SS**  trans-81120.9-173.100000112.8
54L45.8Very low40.1Very low164 Ų164153.7 Ų153.786%0.85983%0.826SS**  trans-105.4126.4177.1-66.3175.8000111.5
55K42.1Very low40Very low195 Ų195153.6 Ų153.685%0.84883%0.825SS**  trans-97.690.1-175.8-172.8178.5-177.7177.60110.3V57K55-V57 PolarHBondContact O-N 2.94Å
56L40.9Very low40.3Very low172 Ų172151.4 Ų151.490%0.90182%0.819SS**  trans-66.9116.5177.9-76.4168.3000111.6
57V44.4Very low40.4Very low123 Ų123151.6 Ų151.675%0.74582%0.815SS**  trans-101.9106.2172.5177.90000108.6K55 R59K55-V57 PolarHBondContact O-N 2.94Å; V57-R59 PolarHBondContact O-N 3.39Å
58L40.6Very low40.2Very low157 Ų157153.2 Ų153.282%0.82282%0.82SS**  trans-82.1104.2179.2-15384.3000110.4L60L58-L60 PolarHBondContact O-N 3.05Å
59R38Very low40Very low241 Ų241149.6 Ų149.691%0.90981%0.807SS**  trans-87.999.7-179.7-165.8178.7-172111-3.3110.6V57V57-R59 PolarHBondContact O-N 3.39Å
60L43.8Very low39.9Very low144 Ų144151.7 Ų151.775%0.75482%0.818SS**  trans-75.2131.4174.1-71.3165.9000110.7L58 S62L58-L60 PolarHBondContact O-N 3.05Å; L60-S62 PolarHBondContact O-N 3.41Å
61P43.7Very low39.8Very low127 Ų127147.2 Ų147.283%0.82581%0.808SS**  trans-77.5114.2176.430.2-32.6000110.7
62S37Very low39.6Very low109 Ų109142.7 Ų142.776%0.76280%0.798SS**  trans-85.2127.7166.552.80000110.5L60L60-S62 PolarHBondContact O-N 3.41Å
63K45.3Very low39.2Very low206 Ų206136.6 Ų136.690%0.89679%0.791SS**  trans-170.9123.6144.1-106.6156.8-171.3-176.20112.7
64S39.7Very low38.9Very low105 Ų105141.1 Ų141.173%0.73479%0.787SS**  trans-55.3158.5144.249.40000110
65S37.6Very low38.2Very low102 Ų102138.6 Ų138.671%0.71378%0.779SS**  cis-159.7-174.120.323.30000110
66L40.1Very low37.7Very low160 Ų160134.7 Ų134.784%0.83877%0.771SS**  trans13.4143.5148.6-84.759.4000119.3
67S36.9Very low37.4Very low83 Ų83130.9 Ų130.958%0.5876%0.759SS**  cis169146.1-12.647.40000106.7
68Q40Very low37.1Very low190 Ų190132 Ų13289%0.88876%0.756SS**  trans65.5168.3177.3-47.6-179.152.100114.6
69A31.4Very low37.2Very low83 Ų83132.4 Ų132.469%0.68675%0.754SS**  cis-167.6136.4-49.300000108.3
70A32.9Very low37.3Very low102 Ų102128.2 Ų128.284%0.84375%0.749SS**  trans60.9162.2177.600000114.9
71S36.1Very low37.5Very low97 Ų97129.2 Ų129.268%0.67875%0.75SS**  cis-159.6167.2-21.7490000110.9
72T35.3Very low37.3Very low116 Ų116129.4 Ų129.471%0.71274%0.744SS**  trans54.789.1149.248.80000119.9
73S32.7Very low37.4Very low107 Ų107128.9 Ų128.975%0.74874%0.74SS**  61.8144.8114.766.10000123.7
74K33.4Very low37.3Very low181 Ų181125.1 Ų125.179%0.78773%0.73SS**  trans90.5123148-95.6-156171.4-168.90120.1
75T29.9Very low37.7Very low111 Ų111126.3 Ų126.368%0.68173%0.728SS**  trans66.2147.3136.855.20000119.4
76T31.5Very low37.6Very low113 Ų113129 Ų12969%0.69373%0.729SS**  cis-160.5163.71.63.70000109.8
77S34.1Very low37.8Very low92 Ų92127.8 Ų127.864%0.64372%0.722SS**  trans52.9178.3158.149.30000116.4
78E39.5Very low38Very low147 Ų147131.3 Ų131.369%0.68773%0.73SS**  cis-103.7-159.3-15.9-60.765.5-130.400108.6
79E43Very low37.9Very low165 Ų165126.2 Ų126.277%0.77172%0.715SS**  cis-160.8115.1-10.2-134.8155.2-12700104.5
80D38.6Very low38.4Very low152 Ų152128.3 Ų128.381%0.81371%0.714SS**  68.5120.5100.9-74.2-13.7000119.3
81E48.4Very low38.8Very low165 Ų165129.3 Ų129.377%0.77171%0.706SS**  158145.3117-85.5-123.9140.200116.5
82N39.1Very low39.2Very low132 Ų132131.1 Ų131.171%0.70671%0.708SS**  trans72.1115.8156.2-61.1-38.3000123.4
83S39.7Very low39.7Very low97 Ų97132.5 Ų132.568%0.67871%0.711SS**  trans-67.4177.5167.454.30000113
84D43Very low40.1Very low128 Ų128131.8 Ų131.868%0.68471%0.711SS**  -163.5150.873.1-107.40.4000115.3
85L47.5Very low40.4Very low130 Ų130131 Ų13168%0.68172%0.716SS**  trans50.4108.8148.3-55175.5000119.1
86E37.4Very low40.7Very low159 Ų159133.9 Ų133.974%0.74372%0.721SS**  80.7123.670.3-78.5-161158.100115.5
87L42.5Very low41Very low133 Ų133131.9 Ų131.970%0.69672%0.723SS**  172.2136.299.7-81.7-179.9000111.9
88H41.6Very low41.1Very low158 Ų158136.1 Ų136.173%0.73173%0.733SS**  trans54.5115.9147.9-71.3-53.6000121.5
89S38.5Very low41.4Very low83 Ų83135.7 Ų135.758%0.5874%0.74SS**  80.2137.863.176.10000113.7
90N41.1Very low41.7Very low126 Ų126133 Ų13367%0.67474%0.737SS**  cis-163.3165.86.6-116.325.8000110.5
91D41.8Very low41.7Very low123 Ų123130.9 Ų130.966%0.65873%0.734SS**  trans48.6155.9139.5-42.9-18.2000121.3
92D44.6Very low41.2Very low136 Ų136131.8 Ų131.873%0.72774%0.735SS**  cis-157.2-174-1.2-136-33.3000112.4
93D45.1Very low41.2Very low145 Ų145133.1 Ų133.178%0.77574%0.741SS**  trans64.6121.6165.6-72.4-49.3000118
94A41.8Very low41.2Very low91 Ų91133.3 Ų133.375%0.75274%0.743SS**  cis86.9120.127.500000116.6
95N39.9Very low40.6Very low165 Ų165133.4 Ų133.488%0.88275%0.752SS**  -169154.1113.3-160.410.8000112
96E35.8Very low40.1Very low172 Ų172130.8 Ų130.880%0.80476%0.756SS**  trans-100.7174.1178.8-82.3-74.4175.400112.5
97G38.9Very low40.4Very low71 Ų71131.2 Ų131.273%0.73276%0.759SS**  trans-177.769.5177.700000118.5
98E34.9Very low40Very low181 Ų181130.7 Ų130.785%0.84677%0.766SS**  trans-73.5162.6162.7-67.8-163.6118.900113
99V45.3Very low40Very low137 Ų137128.8 Ų128.883%0.8377%0.771SS**  174.8147.5116.8149.30000111.8
100P49.6Very low39.6Very low110 Ų110130.8 Ų130.871%0.71479%0.785SS**  trans-123.1-158.8-164.543.6-29.6000114.9
101S39.2Very low39.4Very low107 Ų107128.6 Ų128.675%0.74879%0.791SS**  trans127.9158.6158.9790000114.1
102K37.6Very low39Very low184 Ų184128.5 Ų128.580%0.880%0.8SS**  cis-163.3177.4-1.2-133.8166.2-168.5171.60111.5
103L39.1Very low38.8Very low159 Ų159130.3 Ų130.383%0.83281%0.808SS**  trans77.2144.8166.7-48.8-173.9000118.4
104S39.2Very low38.3Very low101 Ų101129.7 Ų129.771%0.70681%0.81SS**  cis-164.5127-23.4530000114.6
105C30.5Very low38Very low130 Ų130135.4 Ų135.488%0.87882%0.818SS**  trans51.7138.1137.8-151.80000123.3
106G38.7Very low37.9Very low75 Ų75137.1 Ų137.177%0.77382%0.817SS**  trans-167.930.2178.300000118.7
107Q42.6Very low37.9Very low169 Ų169139.3 Ų139.379%0.7982%0.824SS**  trans47.3111.6160.8-64.3-176.2-15.300123.2
108S35Very low37.7Very low121 Ų121147.2 Ų147.285%0.84683%0.832SS**  trans72.5158.7130.983.50000120.4
109S40.2Very low37.7Very low119 Ų119148.4 Ų148.483%0.83283%0.834SS**  cis-140.2178.2268.20000112.2
110S30.6Very low37.3Very low125 Ų125151.8 Ų151.887%0.87484%0.838SS**  trans-104.9153.4-166.554.60000115.3
111G38Very low36.7Very low79 Ų79156.5 Ų156.581%0.81484%0.841SS**  trans-175.4101.3170.300000114.2
112S31.7Very low36.7Very low121 Ų121162.8 Ų162.885%0.84685%0.849SS**  trans-102.1121.3-176.451.10000113
113I40.5Very low36.8Very low174 Ų174162.5 Ų162.589%0.89285%0.848SS**  trans-132.4150.6170.3-65.6-174.4000110.7
114T35.4Very low36.7Very low133 Ų133161.5 Ų161.582%0.81684%0.842SS**  trans-89.8166-156.752.70000116.2K116T114-K116 PolarHBondContact O-N 3.06Å
115K36Very low36.7Very low211 Ų211166.1 Ų166.192%0.91785%0.85SS**  trans-60.8125.4-173.4-61.2165.5-178.6169.20113.2
116K37.7Very low37.1Very low200 Ų200165.2 Ų165.287%0.8784%0.841SS**  trans-129.3119.7158.6-83.2-176.4176.8172.80112T114 R118T114-K116 PolarHBondContact O-N 3.06Å; K116-R118 PolarHBondContact O-N 3.49Å
117K34.4Very low37.2Very low218 Ų218165.9 Ų165.995%0.94884%0.839SS**  trans-61.9118.8173.2-72.4175.6175.71730110
118R35.5Very low37.7Very low238 Ų238163.6 Ų163.690%0.89884%0.839SS**  trans-112.8116161.8-76.5-174.478138.1-3.2110.9K116 K120K116-R118 PolarHBondContact O-N 3.49Å; R118-K120 PolarHBondContact O-N 2.66Å
119K35.1Very low37.9Very low205 Ų205164 Ų16489%0.89184%0.838SS**  trans-68.984-178.8-169.2173.9-176.2176.30110R121K119-R121 PolarHBondContact O-N 2.85Å
120K37.8Very low37.7Very low208 Ų208168.6 Ų168.690%0.90484%0.843SS**  trans-70.392-175.9-161.1168.5-178.4175.60110.3R118 R122R118-K120 PolarHBondContact O-N 2.66Å; K120-R122 PolarHBondContact O-N 3.09Å
121R36Very low38.1Very low209 Ų209165.8 Ų165.879%0.78984%0.835SS**PPolyproline II helixtrans-52.4128.7178.6-67.7161.265.4167.4-0.8109.9K119 F123K119-R121 PolarHBondContact O-N 2.85Å; R121-F123 PolarHBondContact O-N 3.06Å
122R39.3Very low38.2Very low239 Ų239168.2 Ų168.290%0.90284%0.839SS**PPolyproline II helixtrans-60.6117.9159.8-90.1-176.7170.7169.5-3.2107.3K120 L124K120-R122 PolarHBondContact O-N 3.09Å; R122-L124 PolarHBondContact O-N 3.01Å
123F39.8Very low38.7Very low179 Ų179172.7 Ų172.779%0.78584%0.843SS**PPolyproline II helixtrans-72.6117.8161.9-94.2-103.4000107.6R121 F125R121-F123 PolarHBondContact O-N 3.06Å; F123-F125 PolarHBondContact O-N 3.33Å
124L37.4Very low39.1Very low137 Ų137176 Ų17672%0.71784%0.844SS**  trans-73.7106.2161.7-101.769.3000107R122 T126R122-L124 PolarHBondContact O-N 3.01Å; L124-T126 PolarHBondContact O-N 3.03Å
125F39.4Very low39.6Very low198 Ų198181.9 Ų181.987%0.86885%0.852SS**  trans-81.648.2179.4-149.1-88.6000111F123F123-F125 PolarHBondContact O-N 3.33Å
126T38.6Very low40Very low111 Ų111182.7 Ų182.768%0.68185%0.849SS**  trans-14145.9-165.760.40000112.2L124L124-T126 PolarHBondContact O-N 3.03Å
127A40.6Very low40.5Very low89 Ų89181.2 Ų181.274%0.73685%0.849SS**  trans-154.498172.200000111.3
128P53.6Low40.9Very low121 Ų121180.8 Ų180.879%0.78685%0.847SS**  trans-74.9144.1169.131.2-32.9000110.8
129P38.3Very low41.2Very low129 Ų129173.9 Ų173.984%0.83884%0.841SS**  trans-71.6149-179.429.4-34.7000112.6G131P129-G131 PolarHBondContact O-N 3.23Å
130K36.5Very low41.3Very low216 Ų216172.7 Ų172.794%0.93984%0.839SS**SBendtrans-77.5108.3178.7-61.4177-178.8178.50110
131G38Very low41.5Very low67 Ų67167 Ų16769%0.69183%0.83SS**  trans-179.138.9-17700000120.7P129P129-G131 PolarHBondContact O-N 3.23Å
132S40.5Very low41.7Very low129 Ų129164.6 Ų164.690%0.90283%0.833SS**  trans-165.3114.1161.2-930000113.3
133K41.8Very low41.9Very low216 Ų216160 Ų16094%0.93983%0.831SS**  trans-154.840-179.2-155.1-178180-176.10113.5
134R48.6Very low42.1Very low243 Ų243160 Ų16092%0.91783%0.833SS**  trans-146.732.4-165-155-173.8164.3-160.5-6.3116.5
135R47.2Very low42.4Very low257 Ų257158 Ų15897%0.9783%0.831SS**SBendtrans-141.211.7-176.8-108.7-173.8-178.1-168.9-0.1118.1
136R43.3Very low42.6Very low227 Ų227156.5 Ų156.586%0.85783%0.832SS**SBendtrans-131.854.9-178.3-159.6-179.9-172.9171.54.8113.1
137I49.3Very low42.4Very low169 Ų169158.8 Ų158.887%0.86784%0.84SS**SBendtrans-141.836.2176.5-39177.8000109.7
138K42.3Very low42.3Very low209 Ų209158.4 Ų158.491%0.90984%0.837SS**SBendtrans-158.652.4-179.3-164.4152-177.7169.40112.7
139A41.2Very low41.9Very low94 Ų94160.9 Ų160.978%0.77784%0.843SS**SBendtrans-146.27.4174.600000113.2
140E38.3Very low42.2Very low180 Ų180161.2 Ų161.284%0.84184%0.842SS**SBendtrans-118.856.9-173.7-70.3165.1-150.800108.8
141A41.4Very low42.2Very low87 Ų87158 Ų15872%0.71983%0.831SS**SBendtrans-168.275.7177.900000111.1
142N39.3Very low42.1Very low160 Ų160162.8 Ų162.886%0.85683%0.832SS**  trans174.2162.6154.5-94.3-9.5000110.3
143V44.6Very low42Very low142 Ų142161.6 Ų161.686%0.86183%0.83SS**  trans69.761.1178.4-158.40000114.4
144E43.1Very low41.7Very low178 Ų178161.3 Ų161.383%0.83283%0.829SS**  trans-72.2172.5140.9-165.172.2-135.600108.8
145S44.5Very low40.7Very low95 Ų95155.3 Ų155.366%0.66482%0.823SS**  trans57.9108.7172.259.80000118.3
146D44.3Very low40.3Very low167 Ų167148.2 Ų148.289%0.89381%0.813SS**  -165.6147.899.3-94.1-23.4000110.4
147D34.7Very low39.9Very low160 Ų160142 Ų14286%0.85680%0.804SS**  trans-140.3153.4-164.6-150.1-19.9000113.6
148A37Very low39.3Very low81 Ų81143.4 Ų143.467%0.66980%0.804SS**  trans41.7116.9165.900000121.6
149L45.8Very low39Very low173 Ų173141 Ų14191%0.90679%0.794SS**  trans-166.6166.8137.4-113.8170.5000115.1
150V43.8Very low38.8Very low136 Ų136141.8 Ų141.882%0.82479%0.794SS**  trans82.2110.7171.6-168.30000118.2
151E38.1Very low38.6Very low149 Ų149138.6 Ų138.670%0.69678%0.782SS**  trans-132.8162.6162.2-155.9-134158.300109.1
152K34Very low38.6Very low167 Ų167143.1 Ų143.173%0.72679%0.788SS**  trans59.8107167.8-75.5172.7176.567.90120.6
153A39.3Very low38.6Very low104 Ų104142.6 Ų142.686%0.8679%0.786SS**  trans-163.8155.1141.700000110
154K35.5Very low38.3Very low209 Ų209140.7 Ų140.791%0.90978%0.778SS**  cis-157167.7-34.2-168.5168178.21790107.4
155C28.5Very low38.2Very low117 Ų117136.2 Ų136.279%0.79177%0.772SS**  trans-93.3180-165.4-158.10000115.9
156S37.1Very low37.9Very low108 Ų108139.8 Ų139.876%0.75578%0.784SS**  trans87.1152.9163.282.10000118.9
157S35.6Very low37.6Very low97 Ų97135.8 Ų135.868%0.67878%0.782SS**  cis-175.6168.6-25.356.90000113
158K37.8Very low37.7Very low199 Ų199136.5 Ų136.587%0.86578%0.78SS**  trans80165.3164.5-58.5176.4178.6-179.80119.3
159K34.2Very low37.9Very low158 Ų158138.2 Ų138.269%0.68779%0.787SS**  171.3125.4-56.6176.4175-160.5-740111.4D161K159-D161 IonicContact NZ-OD1 3.28Å; K159-D161 PolarHBondContact NZ-OD1 3.36Å; K159-D161 IonicContact NZ-OD2 2.79Å; K159-D161 PolarHBondContact NZ-OD2 3.15Å
160S37.7Very low37.3Very low111 Ų111136.3 Ų136.378%0.77678%0.778SS**  trans-176.8128.3159.346.80000107.1
161D34.7Very low37.1Very low113 Ų113139.4 Ų139.460%0.60478%0.783SS**  cis90143.831-56-50.2000114.8K159K159-D161 IonicContact NZ-OD1 3.28Å; K159-D161 PolarHBondContact NZ-OD1 3.36Å; K159-D161 IonicContact NZ-OD2 2.79Å; K159-D161 PolarHBondContact NZ-OD2 3.15Å
162E41.5Very low37.1Very low181 Ų181138.6 Ų138.685%0.84679%0.789SS**  trans95.6119.5-173.1-62.5175-164.800114.8
163N38.9Very low37.3Very low150 Ų150136.6 Ų136.680%0.80279%0.793SS**  81.3139.751.7-69.7-8.4000112.8
164S38.8Very low37.4Very low101 Ų101141.1 Ų141.171%0.70680%0.796SS**  cis-167.8170.9-9.2-920000111
165A40.9Very low37.5Very low84 Ų84139.3 Ų139.369%0.69479%0.791SS**  trans67.5110.615300000121.5
166D36.9Very low38.3Very low171 Ų171140.2 Ų140.291%0.91479%0.792SS**  36.3131.6116.8-45.5-38.5000121.6
167G38.4Very low38.4Very low83 Ų83139 Ų13986%0.85679%0.789SS**  trans-166.1100.516700000112.2
168E36.9Very low38.6Very low175 Ų175142.6 Ų142.682%0.81880%0.795SS**  trans-105.5130.4177.2-175.5-174.3148.600110.5
169S41.4Very low38.4Very low117 Ų117139.3 Ų139.382%0.81879%0.792SS**  trans-148.9120.9166.455.60000112.1
170N32.6Very low38.7Very low132 Ų132136.6 Ų136.671%0.70679%0.793SS**  trans-77150167.3-63.4-85.5000110
171E40.8Very low38.7Very low201 Ų201137.7 Ų137.794%0.93980%0.795SS**  trans-147.5158.4137.3-77-147143.700110
172T38.7Very low38.8Very low133 Ų133141.2 Ų141.282%0.81681%0.807SS**  trans-105.2163.2-159.430.10000115.1
173P37.8Very low38.5Very low125 Ų125137.9 Ų137.981%0.81280%0.802SS**  trans-82.5162.8-168.734-37.5000114.6
174H40.4Very low38.1Very low199 Ų199141.7 Ų141.792%0.92181%0.805SS**  trans-98146.1176.1-120.3-77.3000112.9
175E37.4Very low38Very low171 Ų171142 Ų14280%0.79981%0.805SS**  trans-122.3134.8-171.3177.5179.1-165.600112.1
176V45.9Very low37.9Very low136 Ų136145.5 Ų145.582%0.82481%0.811SS**  trans-166125.9160-94.80000106
177A40.2Very low37.9Very low83 Ų83142.4 Ų142.469%0.68680%0.803SS**  cis68.6124.846.900000112.7
178E39.3Very low38.2Very low172 Ų172144.4 Ų144.480%0.80479%0.789SS**  cis-164.5170.7-2.2-144176.7-154.900112.4
179T32.7Very low38.5Very low130 Ų130141 Ų14180%0.79879%0.785SS**  trans75.1135.2158.562.50000124.3
180S39.7Very low38.8Very low101 Ų101145.4 Ų145.471%0.70679%0.789SS**  trans89.288.3143.6-134.40000124.1
181T38.6Very low39.8Very low134 Ų134142.7 Ų142.782%0.82279%0.785SS**  68.4146.7129.750.20000123.8
182E36.8Very low41.4Very low186 Ų186138 Ų13887%0.86978%0.781SS**  trans75.8158.6172-102.9-160.2112.100118.1
183P36.2Very low43.4Very low111 Ų111137.3 Ų137.372%0.72177%0.767SS**PPolyproline II helix-95.2149.9-98.134.2-37.7000116.3
184R30.1Very low45.6Very low230 Ų230133 Ų13387%0.86874%0.739SS**PPolyproline II helixtrans-46.9116.7-173.9-167.5-173.7-156.7-1727.9114.6
185P37.5Very low47.7Very low109 Ų109125.5 Ų125.571%0.70871%0.709SS**PPolyproline II helixtrans-67.8142.416629.2-33.8000110.3S187P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.86Å
186L38.1Very low50.1Low157 Ų157117.7 Ų117.782%0.82267%0.672SS**  trans-72.986.3175.4-77.1172.7000110.5Q188L186-Q188 PolarHBondContact O-N 2.82Å
187S37.3Very low52.2Low106 Ų106112.1 Ų112.174%0.74164%0.637SS**  trans-71.564.6171.365.10000111.2P185 S189P185-S187 VanDerWaalsContact C-N 3.32Å; P185-S187 PolarHBondContact O-N 2.86Å; S187-S189 PolarHBondContact O-N 2.89Å
188Q44.5Very low54.5Low124 Ų124112.2 Ų112.258%0.57963%0.626SS**  trans-64.7102.9160.9-74.4-171.6-24.100107.1L186L186-Q188 PolarHBondContact O-N 2.82Å
189S42.8Very low56.9Low103 Ų103104.3 Ų104.372%0.7259%0.589SS**  trans-55.4156.9169.753.50000109.6S187 A191S187-S189 PolarHBondContact O-N 2.89Å; S189-A191 PolarHBondContact O-N 2.83Å
190K46.9Very low59.7Low211 Ų21198.2 Ų98.292%0.91755%0.551SS**  trans-69.868.3-173.5-61.4173.4-175.81720111.8
191A55.2Low62.1Low74 Ų7495.8 Ų95.861%0.61253%0.531SS*.  trans-55.6141.6167.200000108.8S189 F193S189-A191 PolarHBondContact O-N 2.83Å; A191-F193 PolarHBondContact O-N 2.99Å
192A72.5Confident64.6Low103 Ų10391.9 Ų91.985%0.85150%0.502SS*.  trans-68.998.8179.500000109.2S194A192-S194 PolarHBondContact O-N 3.29Å
193F80.8Confident67.2Low119 Ų11983.1 Ų83.152%0.52246%0.461SS..  trans-49.6132.6179.2-70.9-73.9000111.1A191 Q197 L198A191-F193 PolarHBondContact O-N 2.99Å; F193-Q197 HydrophobicContact CB-CB 4.26Å; F193-Q197 HydrophobicContact CD1-CB 4.18Å; F193-L198 HydrophobicContact CB-CD1 4.46Å; F193-L198 HydrophobicContact CB-CD2 3.78Å; F193-L198 HydrophobicContact CB-CG 3.81Å; F193-L198 HydrophobicContact CD2-CD2 4.34Å; F193-L198 HydrophobicContact CG-CD2 4.3Å
194S84.2Confident69.9Low34 Ų3477.8 Ų77.824%0.23843%0.427CS..  trans-53.2144.1172.4173.70000110.4A192 L196 Q197 L198A192-S194 PolarHBondContact O-N 3.29Å; S194-L196 PolarHBondContact O-N 3.22Å; S194-L196 PolarHBondContact OG-N 2.94Å; S194-Q197 WeakPolarHBondContact O-CB 3.47Å; S194-Q197 PolarHBondContact O-N 3.36Å; S194-L198 PolarHBondContact O-N 3.44Å
195P85.3Confident72.8Confident42 Ų4273.5 Ų73.527%0.27341%0.41SS..Hα-helixtrans-52.3-29.1172.5-26.935.5000113L199 R305 V306P195-L199 PolarHBondContact O-N 3.04Å; P195-R305 HydrophobicContact CB-CB 4.29Å; P195-R305 HydrophobicContact CG-CB 4.07Å; P195-V306 HydrophobicContact CB-CG2 3.94Å
196L87.5Confident75.4Confident6 Ų669.9 Ų69.93%0.03139%0.386CS..Hα-helixtrans-72.7-47.3172.7-178.7130.1000112.1S194 L198 L199 L200 Y246 V306 Q310S194-L196 PolarHBondContact O-N 3.22Å; S194-L196 PolarHBondContact OG-N 2.94Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.32Å; L196-L199 WeakPolarHBondContact O-CA 3.49Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.28Å; L196-L200 HydrophobicContact CD2-CD1 3.55Å; L196-L200 HydrophobicContact CD2-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.25Å; L196-L200 HydrophobicContact CG-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.94Å; L196-Y246 WeakPolarHBondContact CD2-O 3.27Å; L196-V306 HydrophobicContact CB-CG2 4.42Å; L196-V306 HydrophobicContact CD1-CG1 4.42Å; L196-Q310 HydrophobicContact CD1-CB 3.71Å; L196-Q310 HydrophobicContact CD1-CG 3.92Å
197Q90.8Very high78.1Confident19 Ų1962.4 Ų62.49%0.08935%0.347CS..Hα-helixtrans-56-41.8174.6-70.7173.5-54.700112F193 S194 L199 L200 D201 I241 D244F193-Q197 HydrophobicContact CB-CB 4.26Å; F193-Q197 HydrophobicContact CD1-CB 4.18Å; S194-Q197 WeakPolarHBondContact O-CB 3.47Å; S194-Q197 PolarHBondContact O-N 3.36Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.21Å; Q197-L200 PolarHBondContact O-N 3.43Å; Q197-D201 WeakPolarHBondContact O-CB 3.2Å; Q197-D201 PolarHBondContact O-N 3.17Å; Q197-I241 HydrophobicContact CB-CG2 4.17Å; Q197-I241 HydrophobicContact CG-CG2 4.39Å; Q197-I241 PolarHBondContact NE2-O 3.1Å; Q197-D244 WeakPolarHBondContact CG-OD1 3.33Å
198L88.1Confident80.7Confident86 Ų8659.5 Ų59.545%0.4532%0.323SS..Hα-helixtrans-63.5-34.3175.3-67.1173.5000112.7F193 S194 L196 F202F193-L198 HydrophobicContact CB-CD1 4.46Å; F193-L198 HydrophobicContact CB-CD2 3.78Å; F193-L198 HydrophobicContact CB-CG 3.81Å; F193-L198 HydrophobicContact CD2-CD2 4.34Å; F193-L198 HydrophobicContact CG-CD2 4.3Å; S194-L198 PolarHBondContact O-N 3.44Å; L196-L198 VanDerWaalsContact C-N 3.26Å; L196-L198 PolarHBondContact O-N 3.32Å; L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 2.86Å; L198-F202 VanDerWaalsContact O-N 3.1Å
199L88.9Confident82.9Confident6 Ų661.9 Ų61.93%0.03133%0.332CS..Hα-helixtrans-69-45.1172.4-176.163.7000111.7P195 L196 Q197 F202 Y203 L249 L300 M303 L311P195-L199 PolarHBondContact O-N 3.04Å; L196-L199 WeakPolarHBondContact O-CA 3.49Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.28Å; Q197-L199 VanDerWaalsContact C-N 3.31Å; Q197-L199 PolarHBondContact O-N 3.21Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.11Å; L199-Y203 HydrophobicContact CD1-CD2 4Å; L199-Y203 HydrophobicContact CD1-CE2 3.79Å; L199-Y203 HydrophobicContact CG-CD2 4.19Å; L199-Y203 HydrophobicContact CG-CE2 4.21Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 3.07Å; L199-L249 HydrophobicContact CD2-CD2 4.42Å; L199-L300 HydrophobicContact CD1-CD1 3.77Å; L199-M303 HydrophobicContact CB-CE 3.87Å; L199-M303 HydrophobicContact CB-SD 3.82Å; L199-M303 HydrophobicContact CD1-CE 3.97Å; L199-M303 HydrophobicContact CD1-SD 3.85Å; L199-M303 HydrophobicContact CD2-SD 3.85Å; L199-M303 HydrophobicContact CG-CE 4.42Å; L199-M303 HydrophobicContact CG-SD 4.04Å; L199-L311 HydrophobicContact CD2-CD1 4.09Å
200L91.5Very high85.2Confident1 Ų162.1 Ų62.11%0.00532%0.32CS..Hα-helixtrans-65.5-43.7-179.1-61.5174.5000111.5L196 Q197 Y203 V204 I241 Y246 L249 L252L196-L200 HydrophobicContact CD2-CD1 3.55Å; L196-L200 HydrophobicContact CD2-CG 4.21Å; L196-L200 HydrophobicContact CG-CD1 4.25Å; L196-L200 HydrophobicContact CG-CG 4.38Å; L196-L200 WeakPolarHBondContact O-CG 3.35Å; L196-L200 PolarHBondContact O-N 2.94Å; Q197-L200 PolarHBondContact O-N 3.43Å; L200-Y203 WeakPolarHBondContact O-CB 3.33Å; L200-Y203 PolarHBondContact O-N 3.2Å; L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.01Å; L200-I241 HydrophobicContact CB-CD1 3.75Å; L200-I241 HydrophobicContact CB-CG1 3.87Å; L200-I241 HydrophobicContact CB-CG2 4.33Å; L200-I241 HydrophobicContact CD1-CG1 4.3Å; L200-Y246 VanDerWaalsContact CD1-CB 3.45Å; L200-Y246 HydrophobicContact CD1-CD2 3.83Å; L200-Y246 HydrophobicContact CD1-CG 3.94Å; L200-L249 HydrophobicContact CD2-CD1 3.58Å; L200-L252 HydrophobicContact CB-CD2 4.17Å; L200-L252 HydrophobicContact CD2-CB 3.88Å; L200-L252 HydrophobicContact CD2-CD2 3.52Å; L200-L252 HydrophobicContact CD2-CG 4.28Å; L200-L252 HydrophobicContact CG-CD2 4.43Å
201D90.6Very high87.3Confident51 Ų5152.4 Ų52.427%0.27328%0.278SS..Hα-helixtrans-61.9-41.9173162.467000111.6Q197 Y203 V204 R205Q197-D201 WeakPolarHBondContact O-CB 3.2Å; Q197-D201 PolarHBondContact O-N 3.17Å; D201-Y203 VanDerWaalsContact C-N 3.34Å; D201-Y203 PolarHBondContact O-N 3.27Å; D201-V204 PolarHBondContact O-N 3.46Å; D201-R205 VanDerWaalsContact CG-NE 3.35Å; D201-R205 WeakPolarHBondContact O-CB 3.43Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 IonicContact OD1-NE 3.06Å; D201-R205 PolarHBondContact OD1-NE 2.87Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NE 2.66Å; D201-R205 PolarHBondContact OD2-NE 2.92Å; D201-R205 IonicContact OD2-NH2 2.89Å; D201-R205 PolarHBondContact OD2-NH2 3.12Å
202F90.5Very high88.9Confident52 Ų5253.7 Ų53.723%0.22828%0.28CS..Hα-helixtrans-58.6-43.8171.5171.8-92.1000112L198 L199 R205 V206 L296 L300L198-F202 WeakPolarHBondContact O-CB 3.39Å; L198-F202 PolarHBondContact O-N 2.86Å; L198-F202 VanDerWaalsContact O-N 3.1Å; L199-F202 WeakPolarHBondContact O-CB 3.41Å; L199-F202 PolarHBondContact O-N 3.11Å; F202-R205 PolarHBondContact O-N 3.37Å; F202-V206 HydrophobicContact CD1-CG2 4.46Å; F202-V206 HydrophobicContact CE1-CG2 3.99Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.26Å; F202-V206 PolarHBondContact O-N 3.48Å; F202-L296 HydrophobicContact CE1-CD1 4.1Å; F202-L296 HydrophobicContact CE1-CD2 3.67Å; F202-L296 HydrophobicContact CZ-CD2 3.92Å; F202-L300 HydrophobicContact CD1-CD1 4.09Å; F202-L300 HydrophobicContact CD2-CD2 4.43Å; F202-L300 HydrophobicContact CE1-CD1 4.33Å; F202-L300 HydrophobicContact CE2-CD2 4.37Å; F202-L300 HydrophobicContact CG-CD1 4.34Å
203Y92.3Very high89.6Confident1 Ų154.1 Ų54.10%0.00427%0.268CS..Hα-helixtrans-60.3-49175.1-93.7-115.8000111.2L199 L200 D201 R205 V206 F207 L249 M287 F288 M293 L296L199-Y203 HydrophobicContact CD1-CD2 4Å; L199-Y203 HydrophobicContact CD1-CE2 3.79Å; L199-Y203 HydrophobicContact CG-CD2 4.19Å; L199-Y203 HydrophobicContact CG-CE2 4.21Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 3.07Å; L200-Y203 WeakPolarHBondContact O-CB 3.33Å; L200-Y203 PolarHBondContact O-N 3.2Å; D201-Y203 VanDerWaalsContact C-N 3.34Å; D201-Y203 PolarHBondContact O-N 3.27Å; Y203-R205 PolarHBondContact O-N 3.02Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.33Å; Y203-V206 VanDerWaalsContact O-N 3.14Å; Y203-F207 AromaticContact CD1-CE2 3.98Å; Y203-F207 HydrophobicContact CD1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.45Å; Y203-F207 PolarHBondContact O-N 3.23Å; Y203-L249 HydrophobicContact CD1-CD1 4.24Å; Y203-L249 HydrophobicContact CE1-CD1 4.35Å; Y203-L249 HydrophobicContact CE1-CD2 4.28Å; Y203-L249 HydrophobicContact CE2-CD2 4.4Å; Y203-L249 HydrophobicContact CG-CD1 4.39Å; Y203-M287 HydrophobicContact CD1-CE 4.47Å; Y203-M287 HydrophobicContact CE1-CB 4.13Å; Y203-M287 HydrophobicContact CE1-CE 4.25Å; Y203-M287 WeakPolarHBondContact CE1-O 3.48Å; Y203-M287 PolarHBondContact OH-O 3.14Å; Y203-F288 HydrophobicContact CD1-CD1 4.45Å; Y203-F288 AromaticContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE2 4.17Å; Y203-F288 AromaticContact CD1-CZ 3.69Å; Y203-F288 HydrophobicContact CD1-CZ 3.69Å; Y203-F288 AromaticContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD2 4.47Å; Y203-F288 AromaticContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE2 4.33Å; Y203-F288 HydrophobicContact CE1-CG 4.29Å; Y203-F288 HydrophobicContact CE1-CZ 4Å; Y203-M293 WeakPolarHBondContact OH-CG 3.44Å; Y203-L296 HydrophobicContact CE2-CD1 3.71Å; Y203-L296 WeakPolarHBondContact OH-CD1 3.48Å
204V92.5Very high90Very high0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-60.2-44.1177.7167.60000112.1L200 D201 V206 F207 L208 F234 I237 Q238 I241 L252L200-V204 WeakPolarHBondContact O-CG2 3.18Å; L200-V204 PolarHBondContact O-N 3.01Å; D201-V204 PolarHBondContact O-N 3.46Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.39Å; V204-F207 PolarHBondContact O-N 2.92Å; V204-F207 VanDerWaalsContact O-N 3.12Å; V204-L208 HydrophobicContact CG1-CD1 3.82Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.15Å; V204-F234 HydrophobicContact CG1-CD1 4.15Å; V204-I237 HydrophobicContact CG2-CG2 3.68Å; V204-Q238 HydrophobicContact CG1-CG 4.08Å; V204-I241 HydrophobicContact CB-CD1 4.42Å; V204-I241 HydrophobicContact CG2-CD1 3.63Å; V204-L252 HydrophobicContact CG2-CD1 4.22Å
205R91.6Very high90.1Very high139 Ų13952.5 Ų52.553%0.52526%0.262SS..Hα-helixtrans-62.4-34.1175.2-74.6-172.7-76.9136.3-3.9112.7D201 F202 Y203 K209D201-R205 VanDerWaalsContact CG-NE 3.35Å; D201-R205 WeakPolarHBondContact O-CB 3.43Å; D201-R205 WeakPolarHBondContact O-CG 3.47Å; D201-R205 PolarHBondContact O-N 2.91Å; D201-R205 IonicContact OD1-NE 3.06Å; D201-R205 PolarHBondContact OD1-NE 2.87Å; D201-R205 IonicContact OD2-CZ 2.7Å; D201-R205 IonicContact OD2-NE 2.66Å; D201-R205 PolarHBondContact OD2-NE 2.92Å; D201-R205 IonicContact OD2-NH2 2.89Å; D201-R205 PolarHBondContact OD2-NH2 3.12Å; F202-R205 PolarHBondContact O-N 3.37Å; Y203-R205 PolarHBondContact O-N 3.02Å; R205-K209 WeakPolarHBondContact O-CB 3.37Å; R205-K209 PolarHBondContact O-N 3.46Å
206V91.9Very high90.2Very high33 Ų3350.7 Ų50.720%0.225%0.25CS..Hα-helixtrans-68.2-41.8171.81710000111.3F202 Y203 V204 K209 K210 M287F202-V206 HydrophobicContact CD1-CG2 4.46Å; F202-V206 HydrophobicContact CE1-CG2 3.99Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.86Å; F202-V206 WeakPolarHBondContact O-CG2 3.26Å; F202-V206 PolarHBondContact O-N 3.48Å; Y203-V206 WeakPolarHBondContact O-CB 3.26Å; Y203-V206 PolarHBondContact O-N 3.33Å; Y203-V206 VanDerWaalsContact O-N 3.14Å; V204-V206 VanDerWaalsContact C-N 3.29Å; V204-V206 PolarHBondContact O-N 3.39Å; V206-K209 PolarHBondContact O-N 3.28Å; V206-K210 VanDerWaalsContact O-CG 3.26Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3.27Å; V206-M287 HydrophobicContact CB-CE 4.29Å; V206-M287 HydrophobicContact CG1-CE 3.82Å; V206-M287 HydrophobicContact CG1-SD 4.12Å; V206-M287 HydrophobicContact CG2-CE 4.45Å
207F93.8Very high90.2Very high0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-67.5-45.5179.8-78.8-61000113.3Y203 V204 K209 K210 D211 F234 L256 F280 V283 I284 M287 F288Y203-F207 AromaticContact CD1-CE2 3.98Å; Y203-F207 HydrophobicContact CD1-CE2 3.98Å; Y203-F207 WeakPolarHBondContact O-CD2 3.45Å; Y203-F207 PolarHBondContact O-N 3.23Å; V204-F207 PolarHBondContact O-N 2.92Å; V204-F207 VanDerWaalsContact O-N 3.12Å; F207-K209 VanDerWaalsContact C-N 3.28Å; F207-K209 PolarHBondContact O-N 3.27Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 WeakPolarHBondContact O-CA 3.42Å; F207-K210 WeakPolarHBondContact O-CB 3.3Å; F207-K210 PolarHBondContact O-N 3.32Å; F207-D211 PolarHBondContact O-N 3.48Å; F207-F234 HydrophobicContact CB-CE1 4Å; F207-F234 HydrophobicContact CB-CZ 4.24Å; F207-L256 HydrophobicContact CD2-CD1 3.57Å; F207-L256 HydrophobicContact CD2-CD2 4.24Å; F207-L256 HydrophobicContact CE2-CD1 3.38Å; F207-L256 HydrophobicContact CG-CD1 4.37Å; F207-L256 HydrophobicContact CG-CD2 4.44Å; F207-L256 HydrophobicContact CZ-CD1 4.04Å; F207-F280 HydrophobicContact CB-CZ 3.94Å; F207-F280 HydrophobicContact CD1-CE1 4.03Å; F207-F280 HydrophobicContact CD1-CE2 4.26Å; F207-F280 AromaticContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CG-CZ 4.14Å; F207-V283 HydrophobicContact CD1-CG1 4.35Å; F207-V283 HydrophobicContact CE1-CG1 3.99Å; F207-I284 HydrophobicContact CD1-CG1 4.36Å; F207-I284 HydrophobicContact CE1-CB 4.31Å; F207-I284 HydrophobicContact CE1-CG1 3.58Å; F207-I284 HydrophobicContact CZ-CB 4.43Å; F207-I284 HydrophobicContact CZ-CG1 3.95Å; F207-M287 HydrophobicContact CE1-CG 4.47Å; F207-M287 HydrophobicContact CZ-CB 3.85Å; F207-M287 HydrophobicContact CZ-CG 4.19Å; F207-F288 AromaticContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CZ 4.15Å; F207-F288 HydrophobicContact CZ-CD2 4.24Å; F207-F288 AromaticContact CZ-CE2 3.62Å; F207-F288 HydrophobicContact CZ-CE2 3.62Å
208L92.1Very high89.6Confident45 Ų4558 Ų5824%0.23629%0.286CS..Hα-helixtrans-57-41.9173.3-70.7167.4000111.3V204 K210 D211 T217 F234V204-L208 HydrophobicContact CG1-CD1 3.82Å; V204-L208 HydrophobicContact CG1-CG 4.33Å; V204-L208 WeakPolarHBondContact O-CG 3.41Å; V204-L208 PolarHBondContact O-N 3.15Å; L208-K210 PolarHBondContact O-N 3.21Å; L208-K210 VanDerWaalsContact O-N 3.13Å; L208-D211 PolarHBondContact O-N 3.11Å; L208-D211 VanDerWaalsContact O-N 3.12Å; L208-T217 HydrophobicContact CD2-CG2 3.77Å; L208-F234 HydrophobicContact CD2-CB 3.96Å; L208-F234 HydrophobicContact CD2-CD1 3.86Å; L208-F234 HydrophobicContact CD2-CD2 4.11Å; L208-F234 HydrophobicContact CD2-CE1 4.47Å; L208-F234 HydrophobicContact CD2-CG 3.67Å; L208-F234 HydrophobicContact CG-CD1 4.07Å; L208-F234 HydrophobicContact CG-CG 4.39Å
209K92Very high89Confident175 Ų17559 Ų5976%0.76130%0.298SS*.THydrogen-bonded Turntrans-67.5-8.7174.9-170.6168.8-179176.90114.1R205 V206 F207R205-K209 WeakPolarHBondContact O-CB 3.37Å; R205-K209 PolarHBondContact O-N 3.46Å; V206-K209 PolarHBondContact O-N 3.28Å; F207-K209 VanDerWaalsContact C-N 3.28Å; F207-K209 PolarHBondContact O-N 3.27Å
210K90.7Very high88.3Confident108 Ų10860.4 Ų60.447%0.4730%0.304SS..THydrogen-bonded Turntrans-105.3-0.2175.3-63.2-74-178.2-1770112.9V206 F207 L208 P212 V283V206-K210 VanDerWaalsContact O-CG 3.26Å; V206-K210 WeakPolarHBondContact O-CG 3.48Å; V206-K210 PolarHBondContact O-N 3.27Å; F207-K210 CarbonylContact O-C 3.6Å; F207-K210 WeakPolarHBondContact O-CA 3.42Å; F207-K210 WeakPolarHBondContact O-CB 3.3Å; F207-K210 PolarHBondContact O-N 3.32Å; L208-K210 PolarHBondContact O-N 3.21Å; L208-K210 VanDerWaalsContact O-N 3.13Å; K210-P212 WeakPolarHBondContact O-CD 3.48Å; K210-V283 HydrophobicContact CB-CG1 4.43Å; K210-V283 HydrophobicContact CG-CG1 4.13Å
211D90.4Very high87.5Confident6 Ų663.1 Ų63.13%0.03232%0.323CS..  trans-11663.7171.7-17633.4000111.2F207 L208 D213 C214 Y215 F216 T217 F280F207-D211 PolarHBondContact O-N 3.48Å; L208-D211 PolarHBondContact O-N 3.11Å; L208-D211 VanDerWaalsContact O-N 3.12Å; D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.26Å; D211-C214 PolarHBondContact O-N 3.07Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.15Å; D211-C214 VanDerWaalsContact OD2-CA 3.24Å; D211-C214 WeakPolarHBondContact OD2-CA 3.26Å; D211-Y215 PolarHBondContact OD1-N 2.9Å; D211-Y215 PolarHBondContact OD2-N 3Å; D211-F216 HydrophobicContact CB-CD2 4.24Å; D211-F216 PolarHBondContact OD2-N 3.5Å; D211-T217 PolarHBondContact OD2-N 2.82Å; D211-T217 PolarHBondContact OD2-OG1 2.81Å; D211-F280 HydrophobicContact CB-CE2 4.15Å
212P88.1Confident86.7Confident102 Ų10267.6 Ų67.666%0.66234%0.342SS*.THydrogen-bonded Turntrans-64.6-31.6-175.628.6-35.9000112.9K210 C214K210-P212 WeakPolarHBondContact O-CD 3.48Å; P212-C214 PolarHBondContact O-N 3.28Å
213D87.4Confident85.9Confident111 Ų11170.5 Ų70.559%0.59436%0.36SS*.THydrogen-bonded Turntrans-82.5-0.7179.5-51.6-36.2000112D211 Y215D211-D213 VanDerWaalsContact C-N 3.26Å; D211-D213 PolarHBondContact O-N 3.26Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 HydrophobicContact CB-CD2 3.73Å; D213-Y215 HydrophobicContact CB-CE2 3.35Å; D213-Y215 PolarHBondContact O-N 3.34Å; D213-Y215 VanDerWaalsContact OD2-CE2 3.25Å; D213-Y215 WeakPolarHBondContact OD2-CE2 3.39Å
214C89.3Confident85Confident61 Ų6171.8 Ų71.841%0.41237%0.367SS..  trans59.528.3177.7-60.80000115.6D211 P212 F216 T217 K218D211-C214 PolarHBondContact O-N 3.07Å; D211-C214 VanDerWaalsContact O-N 3.1Å; D211-C214 PolarHBondContact OD1-N 3.15Å; D211-C214 VanDerWaalsContact OD2-CA 3.24Å; D211-C214 WeakPolarHBondContact OD2-CA 3.26Å; P212-C214 PolarHBondContact O-N 3.28Å; C214-F216 PolarHBondContact O-N 3.13Å; C214-F216 VanDerWaalsContact O-N 3.14Å; C214-T217 PolarHBondContact O-N 2.9Å; C214-K218 WeakPolarHBondContact O-CB 3.22Å; C214-K218 PolarHBondContact O-N 3.01Å
215Y86.7Confident83.8Confident58 Ų5873.9 Ų73.923%0.22738%0.381CS..THydrogen-bonded Turntrans-57.8-28.6-179.7-67-71.9000113.6D211 D213 E272 Y273 A276D211-Y215 PolarHBondContact OD1-N 2.9Å; D211-Y215 PolarHBondContact OD2-N 3Å; D213-Y215 VanDerWaalsContact C-N 3.32Å; D213-Y215 HydrophobicContact CB-CD2 3.73Å; D213-Y215 HydrophobicContact CB-CE2 3.35Å; D213-Y215 PolarHBondContact O-N 3.34Å; D213-Y215 VanDerWaalsContact OD2-CE2 3.25Å; D213-Y215 WeakPolarHBondContact OD2-CE2 3.39Å; Y215-E272 HydrophobicContact CE1-CB 4.22Å; Y215-Y273 AromaticContact CD1-CD1 3.76Å; Y215-Y273 HydrophobicContact CD1-CD1 3.76Å; Y215-Y273 AromaticContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CG 4.32Å; Y215-Y273 HydrophobicContact CG-CD1 4.35Å; Y215-Y273 HydrophobicContact CG-CE1 4.48Å; Y215-A276 HydrophobicContact CD1-CB 4.37Å; Y215-A276 HydrophobicContact CD2-CB 3.48Å; Y215-A276 VanDerWaalsContact CD2-CB 3.48Å; Y215-A276 HydrophobicContact CE2-CB 3.81Å; Y215-A276 HydrophobicContact CG-CB 3.8Å
216F87.3Confident82.9Confident5 Ų574.1 Ų74.12%0.02239%0.386CS..THydrogen-bonded Turntrans-111.8-8-179.3-50.4-75.8000112.8D211 C214 F234 V259 V260 V263 A276 A277 F280D211-F216 HydrophobicContact CB-CD2 4.24Å; D211-F216 PolarHBondContact OD2-N 3.5Å; C214-F216 PolarHBondContact O-N 3.13Å; C214-F216 VanDerWaalsContact O-N 3.14Å; F216-F234 HydrophobicContact CB-CD2 4.41Å; F216-F234 HydrophobicContact CB-CE2 3.75Å; F216-F234 WeakPolarHBondContact O-CD2 3.34Å; F216-V259 HydrophobicContact CB-CG1 3.9Å; F216-V259 HydrophobicContact CD1-CG1 4.33Å; F216-V260 HydrophobicContact CD1-CG2 4.27Å; F216-V260 HydrophobicContact CE1-CB 4.48Å; F216-V260 HydrophobicContact CE1-CG1 4.39Å; F216-V260 HydrophobicContact CE1-CG2 4.07Å; F216-V263 HydrophobicContact CD1-CB 4.03Å; F216-V263 HydrophobicContact CD1-CG1 4.04Å; F216-V263 HydrophobicContact CD1-CG2 3.98Å; F216-V263 HydrophobicContact CE1-CB 4.24Å; F216-V263 HydrophobicContact CE1-CG1 4.01Å; F216-A276 HydrophobicContact CE2-CB 4.21Å; F216-A276 HydrophobicContact CZ-CB 4.04Å; F216-A277 HydrophobicContact CE1-CB 4.44Å; F216-A277 HydrophobicContact CZ-CB 4.32Å; F216-F280 HydrophobicContact CD2-CD1 4.47Å; F216-F280 AromaticContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CE2 4.11Å; F216-F280 HydrophobicContact CD2-CG 4.04Å; F216-F280 HydrophobicContact CE2-CB 3.76Å; F216-F280 HydrophobicContact CE2-CD1 4.44Å; F216-F280 AromaticContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CE2 4.47Å; F216-F280 AromaticContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CZ-CB 3.94Å; F216-F280 HydrophobicContact CZ-CG 4.25Å
217T86.8Confident81.9Confident55 Ų5577 Ų7734%0.33740%0.404SS..THydrogen-bonded Turntrans-103.7-16.2-176.7-470000112.1L208 D211 C214L208-T217 HydrophobicContact CD2-CG2 3.77Å; D211-T217 PolarHBondContact OD2-N 2.82Å; D211-T217 PolarHBondContact OD2-OG1 2.81Å; C214-T217 PolarHBondContact O-N 2.9Å
218K79.9Confident81Confident123 Ų12377.4 Ų77.454%0.53541%0.406SS..SBendtrans-61.8131.3174-176.2-176.2178.5-171.40110.8C214C214-K218 WeakPolarHBondContact O-CB 3.22Å; C214-K218 PolarHBondContact O-N 3.01Å
219P75.6Confident80Confident107 Ų10782 Ų8270%0.69544%0.435SS*.PPolyproline II helixtrans-66.1145.4177.928.2-35.4000111.7
220F72.9Confident79.2Confident36 Ų3678.4 Ų78.416%0.15842%0.424CS..PPolyproline II helixtrans-63.3142.4172.7-73.8-53000112.4D224 I228 D233 N262 L266F220-D224 HydrophobicContact CB-CB 4.09Å; F220-D224 HydrophobicContact CD1-CB 3.83Å; F220-D224 HydrophobicContact CG-CB 4.28Å; F220-I228 HydrophobicContact CD1-CD1 4.12Å; F220-I228 HydrophobicContact CE1-CD1 3.45Å; F220-I228 VanDerWaalsContact CE1-CD1 3.45Å; F220-I228 HydrophobicContact CE2-CD1 4.21Å; F220-I228 HydrophobicContact CZ-CD1 3.52Å; F220-D233 WeakPolarHBondContact CD2-OD2 3.38Å; F220-D233 WeakPolarHBondContact CE2-OD1 3.38Å; F220-N262 HydrophobicContact CZ-CB 4.21Å; F220-L266 HydrophobicContact CD1-CD2 3.86Å; F220-L266 HydrophobicContact CE1-CD2 3.85Å
221S76.2Confident78.6Confident58 Ų5878 Ų7841%0.40642%0.424SS..PPolyproline II helixtrans-76.2155.9168.6-28.60000110N223 D224 C225S221-N223 PolarHBondContact O-N 2.93Å; S221-D224 WeakPolarHBondContact CA-OD2 3.41Å; S221-D224 VanDerWaalsContact CB-CG 3.48Å; S221-D224 WeakPolarHBondContact CB-OD2 3.43Å; S221-D224 PolarHBondContact N-OD2 3.46Å; S221-D224 VanDerWaalsContact O-CB 3.32Å; S221-D224 WeakPolarHBondContact O-CB 3.33Å; S221-D224 PolarHBondContact O-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 2.99Å; S221-C225 PolarHBondContact O-N 2.75Å; S221-C225 PolarHBondContact O-SG 3.32Å
222E73.6Confident78.2Confident144 Ų14478.1 Ų78.167%0.67343%0.425SS*.THydrogen-bonded Turntrans-58.6-24-178.2-158.2-147.1122.100114.3K226E222-K226 WeakPolarHBondContact O-CE 3.44Å; E222-K226 IonicContact OE1-NZ 2.65Å; E222-K226 PolarHBondContact OE1-NZ 3.24Å
223N72.9Confident78.1Confident113 Ų11375.2 Ų75.260%0.60440%0.404SS*.THydrogen-bonded Turntrans-75.7-41.5173.7-64.3-38.3000112S221 C225 K226S221-N223 PolarHBondContact O-N 2.93Å; N223-C225 VanDerWaalsContact C-N 3.25Å; N223-C225 PolarHBondContact O-N 2.91Å; N223-K226 WeakPolarHBondContact O-CB 3.41Å; N223-K226 PolarHBondContact O-N 2.9Å
224D74.1Confident78.3Confident29 Ų2970.2 Ų70.216%0.15538%0.377CS..G310 helixtrans-62-38.1-176.2-46.1-10.5000110.6F220 S221 K226 T227 I228 L266F220-D224 HydrophobicContact CB-CB 4.09Å; F220-D224 HydrophobicContact CD1-CB 3.83Å; F220-D224 HydrophobicContact CG-CB 4.28Å; S221-D224 WeakPolarHBondContact CA-OD2 3.41Å; S221-D224 VanDerWaalsContact CB-CG 3.48Å; S221-D224 WeakPolarHBondContact CB-OD2 3.43Å; S221-D224 PolarHBondContact N-OD2 3.46Å; S221-D224 VanDerWaalsContact O-CB 3.32Å; S221-D224 WeakPolarHBondContact O-CB 3.33Å; S221-D224 PolarHBondContact O-N 3.47Å; S221-D224 PolarHBondContact OG-OD2 2.99Å; D224-K226 PolarHBondContact O-N 2.98Å; D224-K226 VanDerWaalsContact O-N 3.09Å; D224-T227 PolarHBondContact O-N 3.07Å; D224-I228 PolarHBondContact O-N 3Å; D224-L266 HydrophobicContact CB-CD1 3.6Å; D224-L266 HydrophobicContact CB-CD2 3.72Å; D224-L266 HydrophobicContact CB-CG 4.32Å
225C67.7Low78.2Confident43 Ų4370.1 Ų70.129%0.29138%0.38SS..G310 helixtrans-53.7-25.7174.2-65.50000114.3S221 N223 Q231S221-C225 PolarHBondContact O-N 2.75Å; S221-C225 PolarHBondContact O-SG 3.32Å; N223-C225 VanDerWaalsContact C-N 3.25Å; N223-C225 PolarHBondContact O-N 2.91Å; C225-Q231 PolarHBondContact O-NE2 3.25Å
226K71.3Confident78.4Confident145 Ų14568.9 Ų68.963%0.6338%0.382SS*.G310 helixtrans-86.8-18.6-178.5-62.2162-170158.30112.3E222 N223 D224E222-K226 WeakPolarHBondContact O-CE 3.44Å; E222-K226 IonicContact OE1-NZ 2.65Å; E222-K226 PolarHBondContact OE1-NZ 3.24Å; N223-K226 WeakPolarHBondContact O-CB 3.41Å; N223-K226 PolarHBondContact O-N 2.9Å; D224-K226 PolarHBondContact O-N 2.98Å; D224-K226 VanDerWaalsContact O-N 3.09Å
227T72.4Confident78.6Confident94 Ų9468.7 Ų68.758%0.57738%0.381SS*.THydrogen-bonded Turntrans-92.3-27.9-177.5-540000112.6D224D224-T227 PolarHBondContact O-N 3.07Å
228I74.5Confident78.8Confident8 Ų870.2 Ų70.24%0.04139%0.385CS..  trans-105.2110.1-173.5-65.5158.9000110.1F220 D224 Q231 N262 L266F220-I228 HydrophobicContact CD1-CD1 4.12Å; F220-I228 HydrophobicContact CE1-CD1 3.45Å; F220-I228 VanDerWaalsContact CE1-CD1 3.45Å; F220-I228 HydrophobicContact CE2-CD1 4.21Å; F220-I228 HydrophobicContact CZ-CD1 3.52Å; D224-I228 PolarHBondContact O-N 3Å; I228-Q231 HydrophobicContact CG2-CG 4.28Å; I228-N262 HydrophobicContact CD1-CB 4.07Å; I228-N262 HydrophobicContact CG1-CB 4.41Å; I228-N262 HydrophobicContact CG2-CB 4.07Å; I228-N262 VanDerWaalsContact CG2-CG 3.46Å; I228-N262 WeakPolarHBondContact CG2-OD1 2.92Å; I228-L266 HydrophobicContact CD1-CB 4.38Å
229V70.7Confident79.4Confident141 Ų14168.9 Ų68.986%0.85538%0.384SS*.SBendtrans-64-45.7-179.4-176.20000112.2
230N75.8Confident80.2Confident99 Ų9966.5 Ų66.553%0.52936%0.362SS..SBendtrans-108.279.4179.7-67.24000109.4T232 L258 N262N230-T232 PolarHBondContact O-N 3.4Å; N230-L258 HydrophobicContact CB-CD1 4.48Å; N230-L258 HydrophobicContact CB-CD2 4Å; N230-N262 PolarHBondContact O-ND2 3Å
231Q77.2Confident81.1Confident100 Ų10065.3 Ų65.347%0.46736%0.357SS..  trans-58.5122.6172.5-64.2170.816.700108.8C225 I228C225-Q231 PolarHBondContact O-NE2 3.25Å; I228-Q231 HydrophobicContact CG2-CG 4.28Å
232T82.6Confident81.8Confident9 Ų964.2 Ų64.26%0.05535%0.352CS..  trans-154.5116.2-179.7-70.80000107.2N230 I237 D255 L258 V259N230-T232 PolarHBondContact O-N 3.4Å; T232-I237 HydrophobicContact CG2-CD1 4.36Å; T232-I237 HydrophobicContact CG2-CG1 4.11Å; T232-D255 HydrophobicContact CG2-CB 4.18Å; T232-L258 HydrophobicContact CG2-CD2 4.41Å; T232-V259 HydrophobicContact CG2-CG2 4.18Å; T232-V259 VanDerWaalsContact O-CG2 3.3Å; T232-V259 WeakPolarHBondContact O-CG2 3.49Å
233D86.2Confident82.7Confident40 Ų4062 Ų6221%0.21434%0.342CS..  trans-128.7170.9-175.2-60.9-40.6000109.7F220 A235 A236 I237F220-D233 WeakPolarHBondContact CD2-OD2 3.38Å; F220-D233 WeakPolarHBondContact CE2-OD1 3.38Å; D233-A235 PolarHBondContact O-N 3.27Å; D233-A236 WeakPolarHBondContact O-CA 3.45Å; D233-A236 WeakPolarHBondContact O-CB 3.25Å; D233-A236 PolarHBondContact O-N 3.22Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å
234F90.2Very high83.4Confident6 Ų660.5 Ų60.53%0.02633%0.333CS..Hα-helixtrans-56.3-34.4174.5-78.7-76.6000113.9V204 F207 L208 F216 I237 Q238 L256 V259 F280V204-F234 HydrophobicContact CG1-CD1 4.15Å; F207-F234 HydrophobicContact CB-CE1 4Å; F207-F234 HydrophobicContact CB-CZ 4.24Å; L208-F234 HydrophobicContact CD2-CB 3.96Å; L208-F234 HydrophobicContact CD2-CD1 3.86Å; L208-F234 HydrophobicContact CD2-CD2 4.11Å; L208-F234 HydrophobicContact CD2-CE1 4.47Å; L208-F234 HydrophobicContact CD2-CG 3.67Å; L208-F234 HydrophobicContact CG-CD1 4.07Å; L208-F234 HydrophobicContact CG-CG 4.39Å; F216-F234 HydrophobicContact CB-CD2 4.41Å; F216-F234 HydrophobicContact CB-CE2 3.75Å; F216-F234 WeakPolarHBondContact O-CD2 3.34Å; F234-I237 PolarHBondContact O-N 2.85Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 VanDerWaalsContact O-CG 3.26Å; F234-Q238 WeakPolarHBondContact O-CG 3.33Å; F234-Q238 PolarHBondContact O-N 3.25Å; F234-L256 HydrophobicContact CE1-CD2 3.55Å; F234-L256 HydrophobicContact CZ-CD2 3.72Å; F234-V259 HydrophobicContact CE2-CG1 4.17Å; F234-F280 HydrophobicContact CE2-CZ 4.47Å; F234-F280 HydrophobicContact CZ-CE1 4.33Å; F234-F280 AromaticContact CZ-CZ 3.85Å; F234-F280 HydrophobicContact CZ-CZ 3.85Å
235A87.9Confident84.2Confident59 Ų5964.8 Ų64.849%0.48835%0.352SS..Hα-helixtrans-65.8-40.1173.600000112.4D233 Q238 N239D233-A235 PolarHBondContact O-N 3.27Å; A235-Q238 PolarHBondContact O-N 3Å; A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 2.88Å; A235-N239 PolarHBondContact O-ND2 2.88Å
236A90.1Very high85.3Confident33 Ų3363.1 Ų63.127%0.27334%0.34SS..Hα-helixtrans-67.4-40175.400000111.7D233 N239 K240D233-A236 WeakPolarHBondContact O-CA 3.45Å; D233-A236 WeakPolarHBondContact O-CB 3.25Å; D233-A236 PolarHBondContact O-N 3.22Å; A236-N239 PolarHBondContact O-N 3.31Å; A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 3.16Å
237I92.4Very high86.1Confident0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-63.9-44.4174.9-66.6173.8000110.8V204 T232 D233 F234 N239 K240 I241 Y246 L252 D255 L256 V259V204-I237 HydrophobicContact CG2-CG2 3.68Å; T232-I237 HydrophobicContact CG2-CD1 4.36Å; T232-I237 HydrophobicContact CG2-CG1 4.11Å; D233-I237 WeakPolarHBondContact O-CG1 3.31Å; D233-I237 PolarHBondContact O-N 3.3Å; F234-I237 PolarHBondContact O-N 2.85Å; I237-N239 PolarHBondContact O-N 2.93Å; I237-K240 PolarHBondContact O-N 2.97Å; I237-I241 HydrophobicContact CG2-CD1 4.21Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.43Å; I237-Y246 HydrophobicContact CG2-CE2 4.35Å; I237-L252 HydrophobicContact CG2-CD1 3.48Å; I237-L252 VanDerWaalsContact CG2-CD1 3.48Å; I237-D255 HydrophobicContact CD1-CB 4.12Å; I237-D255 HydrophobicContact CG1-CB 4.17Å; I237-L256 HydrophobicContact CD1-CD2 3.92Å; I237-L256 HydrophobicContact CD1-CG 4.31Å; I237-V259 HydrophobicContact CD1-CG2 3.73Å
238Q91.9Very high86.9Confident87 Ų8761.2 Ų61.241%0.40733%0.327SS..Hα-helixtrans-60.2-43.8175.5-76.8172.3-1300112V204 F234 A235 I241 A242V204-Q238 HydrophobicContact CG1-CG 4.08Å; F234-Q238 WeakPolarHBondContact O-CB 3.41Å; F234-Q238 VanDerWaalsContact O-CG 3.26Å; F234-Q238 WeakPolarHBondContact O-CG 3.33Å; F234-Q238 PolarHBondContact O-N 3.25Å; A235-Q238 PolarHBondContact O-N 3Å; Q238-I241 PolarHBondContact O-N 3.26Å; Q238-A242 PolarHBondContact O-N 2.89Å
239N91.3Very high87.6Confident96 Ų9661 Ų6151%0.51333%0.326SS..Hα-helixtrans-63.1-42.7175-71.9-25.5000112.1A235 A236 I237 I241 A242 Q243A235-N239 VanDerWaalsContact O-CG 3.31Å; A235-N239 PolarHBondContact O-N 2.88Å; A235-N239 PolarHBondContact O-ND2 2.88Å; A236-N239 PolarHBondContact O-N 3.31Å; I237-N239 PolarHBondContact O-N 2.93Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.3Å; N239-A242 PolarHBondContact O-N 3.3Å; N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 VanDerWaalsContact O-CG 3.26Å; N239-Q243 WeakPolarHBondContact O-CG 3.32Å; N239-Q243 PolarHBondContact O-N 2.99Å
240K92.6Very high88.6Confident56 Ų5659.1 Ų59.124%0.24331%0.31CS..Hα-helixtrans-59.7-37.3173.4-75.8171.3172.3175.90112.6A236 I237 D244 H245 Y246 D255A236-K240 WeakPolarHBondContact O-CG 3.42Å; A236-K240 PolarHBondContact O-N 3.16Å; I237-K240 PolarHBondContact O-N 2.97Å; K240-D244 PolarHBondContact O-N 3.28Å; K240-H245 HydrophobicContact CB-CB 4.42Å; K240-H245 PolarHBondContact O-N 3.25Å; K240-Y246 HydrophobicContact CB-CD2 4.13Å; K240-Y246 HydrophobicContact CB-CE2 3.42Å; K240-Y246 VanDerWaalsContact CB-CE2 3.42Å; K240-Y246 HydrophobicContact CD-CE1 4.42Å; K240-Y246 HydrophobicContact CD-CE2 4.33Å; K240-Y246 VanDerWaalsContact CD-OH 3.25Å; K240-Y246 WeakPolarHBondContact CD-OH 3.47Å; K240-D255 WeakPolarHBondContact CD-OD2 3.35Å; K240-D255 IonicContact NZ-OD1 2.86Å; K240-D255 PolarHBondContact NZ-OD1 2.95Å; K240-D255 IonicContact NZ-OD2 2.6Å; K240-D255 PolarHBondContact NZ-OD2 2.88Å
241I92.4Very high89.4Confident11 Ų1157.1 Ų57.16%0.05630%0.297CS..Hα-helixtrans-66.8-48.4174-65.7167.3000110.6Q197 L200 V204 I237 Q238 N239 Q243 D244 Y246Q197-I241 HydrophobicContact CB-CG2 4.17Å; Q197-I241 HydrophobicContact CG-CG2 4.39Å; Q197-I241 PolarHBondContact NE2-O 3.1Å; L200-I241 HydrophobicContact CB-CD1 3.75Å; L200-I241 HydrophobicContact CB-CG1 3.87Å; L200-I241 HydrophobicContact CB-CG2 4.33Å; L200-I241 HydrophobicContact CD1-CG1 4.3Å; V204-I241 HydrophobicContact CB-CD1 4.42Å; V204-I241 HydrophobicContact CG2-CD1 3.63Å; I237-I241 HydrophobicContact CG2-CD1 4.21Å; I237-I241 WeakPolarHBondContact O-CG1 3.35Å; I237-I241 PolarHBondContact O-N 3.43Å; Q238-I241 PolarHBondContact O-N 3.26Å; N239-I241 VanDerWaalsContact C-N 3.32Å; N239-I241 PolarHBondContact O-N 3.3Å; I241-Q243 PolarHBondContact O-N 2.65Å; I241-D244 PolarHBondContact O-N 3.29Å; I241-Y246 HydrophobicContact CG1-CD2 3.75Å; I241-Y246 HydrophobicContact CG1-CE2 3.7Å
242A90.8Very high90.1Very high35 Ų3552.4 Ų52.429%0.28928%0.275SS..Hα-helixtrans-61.6-28.4179.600000113Q238 N239Q238-A242 PolarHBondContact O-N 2.89Å; N239-A242 PolarHBondContact O-N 3.3Å
243Q91Very high90.6Very high99 Ų9954.1 Ų54.146%0.46328%0.282SS..THydrogen-bonded Turntrans-90.14.9177.1-66.3167.1-12.500113.9N239 I241 H245N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 VanDerWaalsContact O-CG 3.26Å; N239-Q243 WeakPolarHBondContact O-CG 3.32Å; N239-Q243 PolarHBondContact O-N 2.99Å; I241-Q243 PolarHBondContact O-N 2.65Å; Q243-H245 PolarHBondContact O-N 2.79Å; Q243-H245 PolarHBondContact O-ND1 2.84Å
244D88.3Confident91Very high80 Ų8055.3 Ų55.343%0.42829%0.293SS..THydrogen-bonded Turntrans52.135.9-178.1-150.634.6000113.7Q197 K240 I241 Y246Q197-D244 WeakPolarHBondContact CG-OD1 3.33Å; K240-D244 PolarHBondContact O-N 3.28Å; I241-D244 PolarHBondContact O-N 3.29Å; D244-Y246 VanDerWaalsContact C-N 3.34Å
245H90.9Very high91.2Very high119 Ų11955.9 Ų55.955%0.55130%0.297SS*.  trans-80.1-12.8-175.9-74.2-10.3000114.3K240 Q243K240-H245 HydrophobicContact CB-CB 4.42Å; K240-H245 PolarHBondContact O-N 3.25Å; Q243-H245 PolarHBondContact O-N 2.79Å; Q243-H245 PolarHBondContact O-ND1 2.84Å
246Y91.3Very high91.4Very high9 Ų953.1 Ų53.14%0.03527%0.274CS..  trans-91.9117.5177.7-68.3-65.5000111.1L196 L200 I237 K240 I241 D244 E251 L252 D255L196-Y246 WeakPolarHBondContact CD2-O 3.27Å; L200-Y246 VanDerWaalsContact CD1-CB 3.45Å; L200-Y246 HydrophobicContact CD1-CD2 3.83Å; L200-Y246 HydrophobicContact CD1-CG 3.94Å; I237-Y246 HydrophobicContact CG2-CE2 4.35Å; K240-Y246 HydrophobicContact CB-CD2 4.13Å; K240-Y246 HydrophobicContact CB-CE2 3.42Å; K240-Y246 VanDerWaalsContact CB-CE2 3.42Å; K240-Y246 HydrophobicContact CD-CE1 4.42Å; K240-Y246 HydrophobicContact CD-CE2 4.33Å; K240-Y246 VanDerWaalsContact CD-OH 3.25Å; K240-Y246 WeakPolarHBondContact CD-OH 3.47Å; I241-Y246 HydrophobicContact CG1-CD2 3.75Å; I241-Y246 HydrophobicContact CG1-CE2 3.7Å; D244-Y246 VanDerWaalsContact C-N 3.34Å; Y246-E251 WeakPolarHBondContact CA-OE2 3.43Å; Y246-E251 HydrophobicContact CD1-CB 3.7Å; Y246-E251 HydrophobicContact CE1-CB 4.23Å; Y246-L252 HydrophobicContact CD1-CB 4.46Å; Y246-L252 HydrophobicContact CE1-CB 4.38Å; Y246-L252 HydrophobicContact CE2-CD1 4.35Å; Y246-D255 WeakPolarHBondContact CE1-OD2 3.46Å; Y246-D255 VanDerWaalsContact CZ-OD2 3.26Å; Y246-D255 PolarHBondContact OH-OD2 3.43Å
247K87.8Confident91.6Very high163 Ų16355.3 Ų55.371%0.70928%0.278SS*.SBendtrans-90.4-31.7176.4-62.8178.5-177.3177.20112.2E251K247-E251 PolarHBondContact N-OE2 3.3Å
248T90Very high91.6Very high36 Ų3657.1 Ų57.122%0.22129%0.288CS..SBendtrans-131.2151.9179.370.10000112.3I250 E251 Q310T248-I250 PolarHBondContact O-N 2.89Å; T248-E251 WeakPolarHBondContact CB-OE1 3.38Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.5Å; T248-E251 PolarHBondContact N-OE1 3.1Å; T248-E251 PolarHBondContact N-OE2 2.91Å; T248-E251 PolarHBondContact O-N 3.03Å; T248-E251 VanDerWaalsContact O-N 3.16Å; T248-E251 PolarHBondContact OG1-OE1 3.15Å; T248-Q310 CarbonylContact C-O 3.58Å; T248-Q310 WeakPolarHBondContact CA-O 3.31Å
249L88.8Confident91.6Very high3 Ų353 Ų532%0.01627%0.269CS..Hα-helixtrans-63.8-18.9174.7-173.760.7000112.6L199 L200 Y203 L252 K253 F288 M293 Q310 L311L199-L249 HydrophobicContact CD2-CD2 4.42Å; L200-L249 HydrophobicContact CD2-CD1 3.58Å; Y203-L249 HydrophobicContact CD1-CD1 4.24Å; Y203-L249 HydrophobicContact CE1-CD1 4.35Å; Y203-L249 HydrophobicContact CE1-CD2 4.28Å; Y203-L249 HydrophobicContact CE2-CD2 4.4Å; Y203-L249 HydrophobicContact CG-CD1 4.39Å; L249-L252 HydrophobicContact CD1-CD2 4.14Å; L249-K253 PolarHBondContact O-N 2.93Å; L249-F288 HydrophobicContact CD1-CD1 4.34Å; L249-F288 HydrophobicContact CD1-CE1 3.6Å; L249-F288 HydrophobicContact CD1-CZ 4.48Å; L249-F288 HydrophobicContact CD2-CD1 4.22Å; L249-F288 HydrophobicContact CD2-CE1 4.29Å; L249-F288 HydrophobicContact CG-CD1 3.89Å; L249-F288 HydrophobicContact CG-CE1 3.61Å; L249-F288 WeakPolarHBondContact O-CE1 3.28Å; L249-M293 HydrophobicContact CD2-CE 4.12Å; L249-M293 HydrophobicContact CD2-CG 4.39Å; L249-Q310 PolarHBondContact N-O 3.19Å; L249-L311 HydrophobicContact CD2-CD1 3.6Å
250I90.4Very high91.6Very high101 Ų10148.7 Ų48.752%0.51825%0.245SC..Hα-helixtrans-68.5-36.8175.7-59.8176.1000111.1T248 L252 K253 S254T248-I250 PolarHBondContact O-N 2.89Å; I250-L252 PolarHBondContact O-N 2.88Å; I250-K253 WeakPolarHBondContact O-CB 3.28Å; I250-K253 PolarHBondContact O-N 3.32Å; I250-K253 VanDerWaalsContact O-N 3.13Å; I250-S254 PolarHBondContact O-N 2.9Å
251E92.4Very high91.5Very high58 Ų5848 Ų4827%0.27125%0.248SC..Hα-helixtrans-62.8-43.5177.7-68.4145.2-131.100111.1Y246 K247 T248 K253 S254 D255Y246-E251 WeakPolarHBondContact CA-OE2 3.43Å; Y246-E251 HydrophobicContact CD1-CB 3.7Å; Y246-E251 HydrophobicContact CE1-CB 4.23Å; K247-E251 PolarHBondContact N-OE2 3.3Å; T248-E251 WeakPolarHBondContact CB-OE1 3.38Å; T248-E251 WeakPolarHBondContact CG2-OE1 3.5Å; T248-E251 PolarHBondContact N-OE1 3.1Å; T248-E251 PolarHBondContact N-OE2 2.91Å; T248-E251 PolarHBondContact O-N 3.03Å; T248-E251 VanDerWaalsContact O-N 3.16Å; T248-E251 PolarHBondContact OG1-OE1 3.15Å; E251-K253 VanDerWaalsContact C-N 3.31Å; E251-K253 PolarHBondContact O-N 3Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.44Å; E251-D255 PolarHBondContact O-N 3.01Å
252L93.2Very high91.4Very high0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-61-39172.7178.465.5000111.8L200 V204 I237 Y246 L249 I250 S254 D255 L256 F288L200-L252 HydrophobicContact CB-CD2 4.17Å; L200-L252 HydrophobicContact CD2-CB 3.88Å; L200-L252 HydrophobicContact CD2-CD2 3.52Å; L200-L252 HydrophobicContact CD2-CG 4.28Å; L200-L252 HydrophobicContact CG-CD2 4.43Å; V204-L252 HydrophobicContact CG2-CD1 4.22Å; I237-L252 HydrophobicContact CG2-CD1 3.48Å; I237-L252 VanDerWaalsContact CG2-CD1 3.48Å; Y246-L252 HydrophobicContact CD1-CB 4.46Å; Y246-L252 HydrophobicContact CE1-CB 4.38Å; Y246-L252 HydrophobicContact CE2-CD1 4.35Å; L249-L252 HydrophobicContact CD1-CD2 4.14Å; I250-L252 PolarHBondContact O-N 2.88Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.49Å; L252-D255 PolarHBondContact O-N 3.03Å; L252-L256 HydrophobicContact CD1-CD1 4.22Å; L252-L256 HydrophobicContact CD1-CG 4.28Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CD1 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.98Å; L252-F288 HydrophobicContact CD2-CZ 4.37Å; L252-F288 HydrophobicContact CG-CZ 4.28Å
253K93.5Very high91.2Very high45 Ų4546.5 Ų46.520%0.19624%0.235CC..Hα-helixtrans-58.9-46.5173.1179.6172.4170.2177.50110.7L249 I250 E251 D255 L256 E257 I284 D285 F288L249-K253 PolarHBondContact O-N 2.93Å; I250-K253 WeakPolarHBondContact O-CB 3.28Å; I250-K253 PolarHBondContact O-N 3.32Å; I250-K253 VanDerWaalsContact O-N 3.13Å; E251-K253 VanDerWaalsContact C-N 3.31Å; E251-K253 PolarHBondContact O-N 3Å; K253-D255 PolarHBondContact O-N 3.45Å; K253-L256 PolarHBondContact O-N 3.2Å; K253-E257 WeakPolarHBondContact CE-OE1 3.18Å; K253-E257 WeakPolarHBondContact CE-OE2 3.47Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.66Å; K253-E257 PolarHBondContact NZ-OE1 2.91Å; K253-E257 PolarHBondContact O-N 3.48Å; K253-I284 HydrophobicContact CD-CG2 4.14Å; K253-I284 HydrophobicContact CG-CG2 3.93Å; K253-D285 IonicContact NZ-OD1 2.92Å; K253-D285 PolarHBondContact NZ-OD1 3.47Å; K253-F288 HydrophobicContact CB-CD1 3.87Å; K253-F288 HydrophobicContact CB-CD2 4.07Å; K253-F288 HydrophobicContact CB-CE1 3.75Å; K253-F288 HydrophobicContact CB-CE2 3.99Å; K253-F288 HydrophobicContact CB-CG 4.04Å; K253-F288 HydrophobicContact CB-CZ 3.83Å; K253-F288 HydrophobicContact CD-CB 3.99Å; K253-F288 HydrophobicContact CD-CD2 4.13Å; K253-F288 HydrophobicContact CD-CG 4.01Å; K253-F288 HydrophobicContact CG-CD2 4.02Å; K253-F288 HydrophobicContact CG-CE2 4.23Å; K253-F288 HydrophobicContact CG-CG 4.2Å
254S93.2Very high91Very high65 Ų6544.2 Ų44.246%0.45523%0.226SC..Hα-helixtrans-65.3-37.1-177.868.20000113.4I250 E251 L252 E257 L258I250-S254 PolarHBondContact O-N 2.9Å; E251-S254 PolarHBondContact O-N 3.06Å; E251-S254 VanDerWaalsContact O-N 3.11Å; E251-S254 PolarHBondContact O-OG 3.44Å; L252-S254 VanDerWaalsContact C-N 3.33Å; L252-S254 PolarHBondContact O-N 3.49Å; S254-E257 PolarHBondContact O-N 2.91Å; S254-L258 WeakPolarHBondContact O-CB 3.34Å; S254-L258 PolarHBondContact O-N 3.21Å
255D94.2Very high90.9Very high19 Ų1945.6 Ų45.610%0.10223%0.228CC..Hα-helixtrans-67.9-38.7173.4-89.6-25.8000112T232 I237 K240 Y246 E251 L252 K253 L258 V259T232-D255 HydrophobicContact CG2-CB 4.18Å; I237-D255 HydrophobicContact CD1-CB 4.12Å; I237-D255 HydrophobicContact CG1-CB 4.17Å; K240-D255 WeakPolarHBondContact CD-OD2 3.35Å; K240-D255 IonicContact NZ-OD1 2.86Å; K240-D255 PolarHBondContact NZ-OD1 2.95Å; K240-D255 IonicContact NZ-OD2 2.6Å; K240-D255 PolarHBondContact NZ-OD2 2.88Å; Y246-D255 WeakPolarHBondContact CE1-OD2 3.46Å; Y246-D255 VanDerWaalsContact CZ-OD2 3.26Å; Y246-D255 PolarHBondContact OH-OD2 3.43Å; E251-D255 PolarHBondContact O-N 3.01Å; L252-D255 PolarHBondContact O-N 3.03Å; K253-D255 PolarHBondContact O-N 3.45Å; D255-L258 WeakPolarHBondContact O-CB 3.46Å; D255-L258 PolarHBondContact O-N 2.85Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 3.28Å
256L93.6Very high90.6Very high0 Ų042.2 Ų42.20%021%0.214CC..Hα-helixtrans-66.7-36.8175.5-70.7165.8000112.4F207 F234 I237 L252 K253 L258 V260 I284 F288F207-L256 HydrophobicContact CD2-CD1 3.57Å; F207-L256 HydrophobicContact CD2-CD2 4.24Å; F207-L256 HydrophobicContact CE2-CD1 3.38Å; F207-L256 HydrophobicContact CG-CD1 4.37Å; F207-L256 HydrophobicContact CG-CD2 4.44Å; F207-L256 HydrophobicContact CZ-CD1 4.04Å; F234-L256 HydrophobicContact CE1-CD2 3.55Å; F234-L256 HydrophobicContact CZ-CD2 3.72Å; I237-L256 HydrophobicContact CD1-CD2 3.92Å; I237-L256 HydrophobicContact CD1-CG 4.31Å; L252-L256 HydrophobicContact CD1-CD1 4.22Å; L252-L256 HydrophobicContact CD1-CG 4.28Å; L252-L256 HydrophobicContact CG-CD1 3.96Å; L252-L256 HydrophobicContact CG-CG 4.47Å; L252-L256 WeakPolarHBondContact O-CD1 3.44Å; L252-L256 VanDerWaalsContact O-CG 3.28Å; L252-L256 WeakPolarHBondContact O-CG 3.23Å; L252-L256 PolarHBondContact O-N 2.98Å; K253-L256 PolarHBondContact O-N 3.2Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.42Å; L256-I284 HydrophobicContact CB-CD1 3.94Å; L256-F288 HydrophobicContact CD1-CE2 3.75Å; L256-F288 HydrophobicContact CD1-CZ 3.76Å
257E93.3Very high90.3Very high79 Ų7943.8 Ų43.837%0.36922%0.223SC..Hα-helixtrans-68-32.4171.7-71.8-179.6148.900111.7K253 S254 V260 S261 I284K253-E257 WeakPolarHBondContact CE-OE1 3.18Å; K253-E257 WeakPolarHBondContact CE-OE2 3.47Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.66Å; K253-E257 PolarHBondContact NZ-OE1 2.91Å; K253-E257 PolarHBondContact O-N 3.48Å; S254-E257 PolarHBondContact O-N 2.91Å; E257-V260 PolarHBondContact O-N 3.21Å; E257-S261 WeakPolarHBondContact O-CB 3.25Å; E257-S261 PolarHBondContact O-N 3.45Å; E257-I284 HydrophobicContact CG-CD1 4.47Å; E257-I284 HydrophobicContact CG-CG2 4.41Å
258L92.8Very high89.5Confident39 Ų3939.8 Ų39.820%0.20421%0.21CC..Hα-helixtrans-67.6-42.7173.4-178.660.3000112.3N230 T232 S254 D255 L256 V260 S261 N262N230-L258 HydrophobicContact CB-CD1 4.48Å; N230-L258 HydrophobicContact CB-CD2 4Å; T232-L258 HydrophobicContact CG2-CD2 4.41Å; S254-L258 WeakPolarHBondContact O-CB 3.34Å; S254-L258 PolarHBondContact O-N 3.21Å; D255-L258 WeakPolarHBondContact O-CB 3.46Å; D255-L258 PolarHBondContact O-N 2.85Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 2.74Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 3.17Å; L258-S261 VanDerWaalsContact O-N 3.16Å; L258-N262 WeakPolarHBondContact O-CB 3.35Å; L258-N262 PolarHBondContact O-N 2.88Å; L258-N262 PolarHBondContact O-ND2 3.03Å
259V91.7Very high88.7Confident0 Ų047.9 Ų47.90%024%0.242CC..Hα-helixtrans-52-51.6171.2175.50000110.1F216 T232 F234 I237 D255 S261 N262 V263F216-V259 HydrophobicContact CB-CG1 3.9Å; F216-V259 HydrophobicContact CD1-CG1 4.33Å; T232-V259 HydrophobicContact CG2-CG2 4.18Å; T232-V259 VanDerWaalsContact O-CG2 3.3Å; T232-V259 WeakPolarHBondContact O-CG2 3.49Å; F234-V259 HydrophobicContact CE2-CG1 4.17Å; I237-V259 HydrophobicContact CD1-CG2 3.73Å; D255-V259 WeakPolarHBondContact O-CG2 3.47Å; D255-V259 PolarHBondContact O-N 3.28Å; V259-S261 VanDerWaalsContact C-N 3.35Å; V259-S261 PolarHBondContact O-N 3.21Å; V259-N262 PolarHBondContact O-N 3.43Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 3.25Å
260V92Very high88.4Confident5 Ų549.3 Ų49.33%0.0325%0.252CS..Hα-helixtrans-63.4-40.2179.7178.40000111.6F216 L256 E257 L258 L264 A277 F280 I284F216-V260 HydrophobicContact CD1-CG2 4.27Å; F216-V260 HydrophobicContact CE1-CB 4.48Å; F216-V260 HydrophobicContact CE1-CG1 4.39Å; F216-V260 HydrophobicContact CE1-CG2 4.07Å; L256-V260 WeakPolarHBondContact O-CG2 3.33Å; L256-V260 PolarHBondContact O-N 3.42Å; E257-V260 PolarHBondContact O-N 3.21Å; L258-V260 VanDerWaalsContact C-N 3.32Å; L258-V260 PolarHBondContact O-N 2.74Å; V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 WeakPolarHBondContact O-CB 3.47Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.81Å; V260-A277 HydrophobicContact CG1-CB 3.66Å; V260-F280 HydrophobicContact CG2-CD1 3.62Å; V260-F280 HydrophobicContact CG2-CE1 4.28Å; V260-F280 HydrophobicContact CG2-CG 4.48Å; V260-I284 HydrophobicContact CG2-CD1 4.28Å
261S90.8Very high88.2Confident43 Ų4349.5 Ų49.530%0.30126%0.258SS..Hα-helixtrans-63.2-40.9176.5-171.20000112.5E257 L258 V259 K265E257-S261 WeakPolarHBondContact O-CB 3.25Å; E257-S261 PolarHBondContact O-N 3.45Å; L258-S261 WeakPolarHBondContact O-CB 3.45Å; L258-S261 PolarHBondContact O-N 3.17Å; L258-S261 VanDerWaalsContact O-N 3.16Å; V259-S261 VanDerWaalsContact C-N 3.35Å; V259-S261 PolarHBondContact O-N 3.21Å; S261-K265 WeakPolarHBondContact O-CD 3.2Å; S261-K265 VanDerWaalsContact O-CG 3.26Å; S261-K265 WeakPolarHBondContact O-CG 3.36Å; S261-K265 PolarHBondContact O-N 3.42Å; S261-K265 WeakPolarHBondContact OG-CE 3.35Å; S261-K265 PolarHBondContact OG-NZ 2.88Å
262N89Confident88.1Confident4 Ų452.4 Ų52.42%0.02127%0.272CS..Hα-helixtrans-67.1-49.4179.6-71.7-14.5000111.4F220 I228 N230 L258 V259 L264 K265 L266F220-N262 HydrophobicContact CZ-CB 4.21Å; I228-N262 HydrophobicContact CD1-CB 4.07Å; I228-N262 HydrophobicContact CG1-CB 4.41Å; I228-N262 HydrophobicContact CG2-CB 4.07Å; I228-N262 VanDerWaalsContact CG2-CG 3.46Å; I228-N262 WeakPolarHBondContact CG2-OD1 2.92Å; N230-N262 PolarHBondContact O-ND2 3Å; L258-N262 WeakPolarHBondContact O-CB 3.35Å; L258-N262 PolarHBondContact O-N 2.88Å; L258-N262 PolarHBondContact O-ND2 3.03Å; V259-N262 PolarHBondContact O-N 3.43Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.01Å; N262-K265 PolarHBondContact O-N 2.94Å; N262-L266 PolarHBondContact O-N 3.36Å; N262-L266 VanDerWaalsContact O-N 3.12Å
263V87.5Confident87.9Confident9 Ų954.3 Ų54.36%0.05528%0.28CS..Hα-helixtrans-61.5-36.4176.9171.20000111.7F216 V259 N267 Y273F216-V263 HydrophobicContact CD1-CB 4.03Å; F216-V263 HydrophobicContact CD1-CG1 4.04Å; F216-V263 HydrophobicContact CD1-CG2 3.98Å; F216-V263 HydrophobicContact CE1-CB 4.24Å; F216-V263 HydrophobicContact CE1-CG1 4.01Å; V259-V263 WeakPolarHBondContact O-CG2 3.5Å; V259-V263 PolarHBondContact O-N 3.25Å; V263-N267 WeakPolarHBondContact O-CB 3.4Å; V263-N267 PolarHBondContact O-N 3.44Å; V263-N267 PolarHBondContact O-ND2 2.94Å; V263-Y273 HydrophobicContact CG1-CD1 3.49Å; V263-Y273 VanDerWaalsContact CG1-CD1 3.49Å; V263-Y273 HydrophobicContact CG1-CE1 4.08Å; V263-Y273 HydrophobicContact CG1-CG 4.35Å
264L87.4Confident87.8Confident51 Ų5157.5 Ų57.527%0.26729%0.29SS..Hα-helixtrans-64.8-52.7173.8-80.5172.6000112.7V260 N262 L266 N267 D268 R274 A277V260-L264 HydrophobicContact CG1-CD1 4.1Å; V260-L264 WeakPolarHBondContact O-CB 3.47Å; V260-L264 VanDerWaalsContact O-CG 3.31Å; V260-L264 WeakPolarHBondContact O-CG 3.38Å; V260-L264 PolarHBondContact O-N 2.81Å; N262-L264 VanDerWaalsContact C-N 3.28Å; N262-L264 PolarHBondContact O-N 3.01Å; L264-L266 PolarHBondContact O-N 3.22Å; L264-N267 CarbonylContact O-C 3.59Å; L264-N267 VanDerWaalsContact O-C 3.31Å; L264-N267 PolarHBondContact O-N 2.92Å; L264-D268 WeakPolarHBondContact O-CA 3.26Å; L264-D268 PolarHBondContact O-N 3.43Å; L264-R274 HydrophobicContact CD2-CB 4.43Å; L264-A277 HydrophobicContact CD1-CB 3.92Å; L264-A277 HydrophobicContact CD2-CB 3.7Å; L264-A277 HydrophobicContact CG-CB 3.81Å
265K86.1Confident87.7Confident109 Ų10957.8 Ų57.847%0.47429%0.289SS..Hα-helixtrans-56.9-36180-71.5159.2-179.7148.60112.8S261 N262S261-K265 WeakPolarHBondContact O-CD 3.2Å; S261-K265 VanDerWaalsContact O-CG 3.26Å; S261-K265 WeakPolarHBondContact O-CG 3.36Å; S261-K265 PolarHBondContact O-N 3.42Å; S261-K265 WeakPolarHBondContact OG-CE 3.35Å; S261-K265 PolarHBondContact OG-NZ 2.88Å; N262-K265 PolarHBondContact O-N 2.94Å
266L84.4Confident87.6Confident49 Ų4957.4 Ų57.426%0.25729%0.288SS..Hα-helixtrans-71.8-33.9177.6-17666.5000112.6F220 D224 I228 N262 L264F220-L266 HydrophobicContact CD1-CD2 3.86Å; F220-L266 HydrophobicContact CE1-CD2 3.85Å; D224-L266 HydrophobicContact CB-CD1 3.6Å; D224-L266 HydrophobicContact CB-CD2 3.72Å; D224-L266 HydrophobicContact CB-CG 4.32Å; I228-L266 HydrophobicContact CD1-CB 4.38Å; N262-L266 PolarHBondContact O-N 3.36Å; N262-L266 VanDerWaalsContact O-N 3.12Å; L264-L266 PolarHBondContact O-N 3.22Å
267N83.6Confident87.6Confident41 Ų4157.5 Ų57.522%0.21929%0.289CS..THydrogen-bonded Turntrans-117.133.5-171.3-61.8-84.2000112.4V263 L264 F269 S270 Y273V263-N267 WeakPolarHBondContact O-CB 3.4Å; V263-N267 PolarHBondContact O-N 3.44Å; V263-N267 PolarHBondContact O-ND2 2.94Å; L264-N267 CarbonylContact O-C 3.59Å; L264-N267 VanDerWaalsContact O-C 3.31Å; L264-N267 PolarHBondContact O-N 2.92Å; N267-F269 PolarHBondContact O-N 3.28Å; N267-S270 PolarHBondContact O-N 3.23Å; N267-Y273 HydrophobicContact CB-CD1 4.48Å; N267-Y273 HydrophobicContact CB-CD2 3.59Å; N267-Y273 HydrophobicContact CB-CE2 4.18Å; N267-Y273 HydrophobicContact CB-CG 3.76Å; N267-Y273 VanDerWaalsContact OD1-CE2 3.25Å; N267-Y273 WeakPolarHBondContact OD1-CE2 3.42Å
268D71.9Confident87.6Confident80 Ų8061.9 Ų61.943%0.42830%0.302SS..THydrogen-bonded Turntrans-51.4-35.9-165.4-107.3-34.4000113.9L264 R274L264-D268 WeakPolarHBondContact O-CA 3.26Å; L264-D268 PolarHBondContact O-N 3.43Å; D268-R274 PolarHBondContact O-NH2 3.19Å
269F73.1Confident87.5Confident205 Ų20566.8 Ų66.890%0.89932%0.322SS*.THydrogen-bonded Turntrans-86-12.9-179.2-60.9-76.2000115.1N267 T271N267-F269 PolarHBondContact O-N 3.28Å; F269-T271 PolarHBondContact O-N 2.9Å
270S83Confident87.7Confident33 Ų3367 Ų6723%0.23132%0.323CS..  trans-79.1123.9-177.6-179.60000112.1N267 E272 Y273 R274N267-S270 PolarHBondContact O-N 3.23Å; S270-E272 VanDerWaalsContact C-N 3.3Å; S270-E272 PolarHBondContact O-N 3.17Å; S270-E272 PolarHBondContact OG-N 3.16Å; S270-Y273 WeakPolarHBondContact OG-CD2 3.22Å; S270-R274 VanDerWaalsContact O-CB 3.23Å; S270-R274 WeakPolarHBondContact O-CB 3.49Å; S270-R274 PolarHBondContact O-N 3.15Å
271T86Confident87.7Confident106 Ų10669 Ų6965%0.6534%0.335SS*.Hα-helixtrans-64.9-34.3174.248.40000112.1F269 V275F269-T271 PolarHBondContact O-N 2.9Å; T271-V275 WeakPolarHBondContact O-CB 3.43Å; T271-V275 VanDerWaalsContact O-CG2 3.25Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 2.91Å
272E89.4Confident87.9Confident119 Ų11972.9 Ų72.956%0.55635%0.352SS*.Hα-helixtrans-67.7-58.1-177.3-65.1177.3173.700111.3Y215 S270 R274 V275 A276Y215-E272 HydrophobicContact CE1-CB 4.22Å; S270-E272 VanDerWaalsContact C-N 3.3Å; S270-E272 PolarHBondContact O-N 3.17Å; S270-E272 PolarHBondContact OG-N 3.16Å; E272-R274 PolarHBondContact O-N 3.33Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-V275 VanDerWaalsContact O-N 3.07Å; E272-A276 WeakPolarHBondContact O-CB 3.08Å; E272-A276 PolarHBondContact O-N 2.83Å
273Y90Very high88.2Confident40 Ų4074.5 Ų74.516%0.15736%0.362CS..Hα-helixtrans-58.9-36.9175.9-68.6-84.8000111.6Y215 V263 N267 S270 V275 A276 A277Y215-Y273 AromaticContact CD1-CD1 3.76Å; Y215-Y273 HydrophobicContact CD1-CD1 3.76Å; Y215-Y273 AromaticContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CE1 3.77Å; Y215-Y273 HydrophobicContact CD1-CG 4.32Å; Y215-Y273 HydrophobicContact CG-CD1 4.35Å; Y215-Y273 HydrophobicContact CG-CE1 4.48Å; V263-Y273 HydrophobicContact CG1-CD1 3.49Å; V263-Y273 VanDerWaalsContact CG1-CD1 3.49Å; V263-Y273 HydrophobicContact CG1-CE1 4.08Å; V263-Y273 HydrophobicContact CG1-CG 4.35Å; N267-Y273 HydrophobicContact CB-CD1 4.48Å; N267-Y273 HydrophobicContact CB-CD2 3.59Å; N267-Y273 HydrophobicContact CB-CE2 4.18Å; N267-Y273 HydrophobicContact CB-CG 3.76Å; N267-Y273 VanDerWaalsContact OD1-CE2 3.25Å; N267-Y273 WeakPolarHBondContact OD1-CE2 3.42Å; S270-Y273 WeakPolarHBondContact OG-CD2 3.22Å; Y273-V275 PolarHBondContact O-N 3.42Å; Y273-A276 PolarHBondContact O-N 3.14Å; Y273-A277 WeakPolarHBondContact O-CB 3.49Å; Y273-A277 PolarHBondContact O-N 2.62Å
274R90.6Very high88.5Confident112 Ų11274 Ų7442%0.42336%0.359SS..Hα-helixtrans-67.1-34176.4-170.7179.2-71.7-135.6-5.7113.1L264 D268 S270 E272 R278L264-R274 HydrophobicContact CD2-CB 4.43Å; D268-R274 PolarHBondContact O-NH2 3.19Å; S270-R274 VanDerWaalsContact O-CB 3.23Å; S270-R274 WeakPolarHBondContact O-CB 3.49Å; S270-R274 PolarHBondContact O-N 3.15Å; E272-R274 PolarHBondContact O-N 3.33Å; R274-R278 WeakPolarHBondContact O-CD 3.45Å; R274-R278 VanDerWaalsContact O-CG 3.29Å; R274-R278 WeakPolarHBondContact O-CG 3.43Å; R274-R278 PolarHBondContact O-N 2.79Å
275V91.6Very high88.8Confident71 Ų7175.3 Ų75.343%0.4337%0.366SS..Hα-helixtrans-77.5-40.4174.3166.50000111.3T271 E272 Y273 R278 K279T271-V275 WeakPolarHBondContact O-CB 3.43Å; T271-V275 VanDerWaalsContact O-CG2 3.25Å; T271-V275 WeakPolarHBondContact O-CG2 3.45Å; T271-V275 PolarHBondContact O-N 2.91Å; E272-V275 PolarHBondContact O-N 3.04Å; E272-V275 VanDerWaalsContact O-N 3.07Å; Y273-V275 PolarHBondContact O-N 3.42Å; V275-R278 PolarHBondContact O-N 2.74Å; V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 WeakPolarHBondContact O-CG 3.46Å; V275-K279 PolarHBondContact O-N 3.26Å; V275-K279 VanDerWaalsContact O-N 3.11Å
276A92.6Very high89.2Confident10 Ų1074.3 Ų74.38%0.08336%0.36CS..Hα-helixtrans-59.5-50.1173.700000110.8Y215 F216 E272 Y273 R278 K279 F280Y215-A276 HydrophobicContact CD1-CB 4.37Å; Y215-A276 HydrophobicContact CD2-CB 3.48Å; Y215-A276 VanDerWaalsContact CD2-CB 3.48Å; Y215-A276 HydrophobicContact CE2-CB 3.81Å; Y215-A276 HydrophobicContact CG-CB 3.8Å; F216-A276 HydrophobicContact CE2-CB 4.21Å; F216-A276 HydrophobicContact CZ-CB 4.04Å; E272-A276 WeakPolarHBondContact O-CB 3.08Å; E272-A276 PolarHBondContact O-N 2.83Å; Y273-A276 PolarHBondContact O-N 3.14Å; A276-R278 PolarHBondContact O-N 2.64Å; A276-K279 WeakPolarHBondContact O-CB 3.37Å; A276-K279 PolarHBondContact O-N 3.2Å; A276-K279 VanDerWaalsContact O-N 3.11Å; A276-F280 WeakPolarHBondContact O-CB 3.43Å; A276-F280 PolarHBondContact O-N 2.93Å
277A92.7Very high89.5Confident2 Ų272.4 Ų72.42%0.01735%0.35CS..Hα-helixtrans-56.1-48.3178.800000111.9F216 V260 L264 Y273 K279 F280 T281F216-A277 HydrophobicContact CE1-CB 4.44Å; F216-A277 HydrophobicContact CZ-CB 4.32Å; V260-A277 HydrophobicContact CG1-CB 3.66Å; L264-A277 HydrophobicContact CD1-CB 3.92Å; L264-A277 HydrophobicContact CD2-CB 3.7Å; L264-A277 HydrophobicContact CG-CB 3.81Å; Y273-A277 WeakPolarHBondContact O-CB 3.49Å; Y273-A277 PolarHBondContact O-N 2.62Å; A277-K279 VanDerWaalsContact C-N 3.34Å; A277-K279 PolarHBondContact O-N 3.14Å; A277-F280 PolarHBondContact O-N 3.29Å; A277-F280 VanDerWaalsContact O-N 3.1Å; A277-T281 PolarHBondContact O-N 3.26Å; A277-T281 PolarHBondContact O-OG1 3.41Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å
278R92.4Very high89.9Confident172 Ų17271.8 Ų71.865%0.64935%0.345SS*.Hα-helixtrans-60-40.5176.8-74.6172.5173.8-167.2-2.9112.9R274 V275 A276 L282R274-R278 WeakPolarHBondContact O-CD 3.45Å; R274-R278 VanDerWaalsContact O-CG 3.29Å; R274-R278 WeakPolarHBondContact O-CG 3.43Å; R274-R278 PolarHBondContact O-N 2.79Å; V275-R278 PolarHBondContact O-N 2.74Å; A276-R278 PolarHBondContact O-N 2.64Å; R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.55Å
279K92.6Very high90.8Very high142 Ų14270 Ų7062%0.61734%0.339SS*.Hα-helixtrans-65.1-42.6173.4-69.2167.9-179.8173.60111V275 A276 A277 L282 V283V275-K279 HydrophobicContact CG1-CD 4.31Å; V275-K279 WeakPolarHBondContact O-CG 3.46Å; V275-K279 PolarHBondContact O-N 3.26Å; V275-K279 VanDerWaalsContact O-N 3.11Å; A276-K279 WeakPolarHBondContact O-CB 3.37Å; A276-K279 PolarHBondContact O-N 3.2Å; A276-K279 VanDerWaalsContact O-N 3.11Å; A277-K279 VanDerWaalsContact C-N 3.34Å; A277-K279 PolarHBondContact O-N 3.14Å; K279-L282 PolarHBondContact O-N 3.49Å; K279-V283 WeakPolarHBondContact O-CG2 3.44Å; K279-V283 PolarHBondContact O-N 3.17Å
280F94Very high91.4Very high5 Ų566 Ų662%0.02232%0.321CS..Hα-helixtrans-69.1-44.4-175.2-157.2-95.9000112.4F207 D211 F216 F234 V260 A276 A277 L282 V283 I284F207-F280 HydrophobicContact CB-CZ 3.94Å; F207-F280 HydrophobicContact CD1-CE1 4.03Å; F207-F280 HydrophobicContact CD1-CE2 4.26Å; F207-F280 AromaticContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CD1-CZ 3.67Å; F207-F280 HydrophobicContact CG-CZ 4.14Å; D211-F280 HydrophobicContact CB-CE2 4.15Å; F216-F280 HydrophobicContact CD2-CD1 4.47Å; F216-F280 AromaticContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CD2 3.86Å; F216-F280 HydrophobicContact CD2-CE2 4.11Å; F216-F280 HydrophobicContact CD2-CG 4.04Å; F216-F280 HydrophobicContact CE2-CB 3.76Å; F216-F280 HydrophobicContact CE2-CD1 4.44Å; F216-F280 AromaticContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CD2 3.76Å; F216-F280 HydrophobicContact CE2-CE2 4.47Å; F216-F280 AromaticContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CE2-CG 3.73Å; F216-F280 HydrophobicContact CZ-CB 3.94Å; F216-F280 HydrophobicContact CZ-CG 4.25Å; F234-F280 HydrophobicContact CE2-CZ 4.47Å; F234-F280 HydrophobicContact CZ-CE1 4.33Å; F234-F280 AromaticContact CZ-CZ 3.85Å; F234-F280 HydrophobicContact CZ-CZ 3.85Å; V260-F280 HydrophobicContact CG2-CD1 3.62Å; V260-F280 HydrophobicContact CG2-CE1 4.28Å; V260-F280 HydrophobicContact CG2-CG 4.48Å; A276-F280 WeakPolarHBondContact O-CB 3.43Å; A276-F280 PolarHBondContact O-N 2.93Å; A277-F280 PolarHBondContact O-N 3.29Å; A277-F280 VanDerWaalsContact O-N 3.1Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.21Å; F280-V283 CarbonylContact O-C 3.57Å; F280-V283 WeakPolarHBondContact O-CA 3.29Å; F280-V283 WeakPolarHBondContact O-CB 3.33Å; F280-V283 PolarHBondContact O-N 3.38Å; F280-I284 HydrophobicContact CD1-CD1 3.77Å; F280-I284 HydrophobicContact CD1-CG1 4.12Å; F280-I284 HydrophobicContact CE1-CD1 3.94Å; F280-I284 HydrophobicContact CE1-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.93Å
281T93.8Very high91.5Very high47 Ų4771.3 Ų71.329%0.28834%0.342SS..Hα-helixtrans-57.6-39.6173.2-53.20000112A277 V283 I284 D285A277-T281 PolarHBondContact O-N 3.26Å; A277-T281 PolarHBondContact O-OG1 3.41Å; A277-T281 VanDerWaalsContact O-OG1 3.09Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.22Å; T281-I284 WeakPolarHBondContact O-CB 3.39Å; T281-I284 PolarHBondContact O-N 3.3Å; T281-D285 PolarHBondContact O-N 3.46Å
282L94.6Very high91.6Very high124 Ų12468 Ų6865%0.64932%0.319SS*.Hα-helixtrans-65.1-31.7174.8-69.3170.1000112.8R278 K279 F280 Y286R278-L282 WeakPolarHBondContact O-CG 3.35Å; R278-L282 PolarHBondContact O-N 2.55Å; K279-L282 PolarHBondContact O-N 3.49Å; F280-L282 VanDerWaalsContact C-N 3.29Å; F280-L282 PolarHBondContact O-N 3.21Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.37Å; L282-Y286 PolarHBondContact O-N 3.16Å; L282-Y286 VanDerWaalsContact O-N 3.13Å
283V94Very high91.4Very high37 Ų3763.1 Ų63.122%0.22430%0.296CS..Hα-helixtrans-73.1-37.7172.7177.20000111F207 K210 K279 F280 T281 Y286 M287F207-V283 HydrophobicContact CD1-CG1 4.35Å; F207-V283 HydrophobicContact CE1-CG1 3.99Å; K210-V283 HydrophobicContact CB-CG1 4.43Å; K210-V283 HydrophobicContact CG-CG1 4.13Å; K279-V283 WeakPolarHBondContact O-CG2 3.44Å; K279-V283 PolarHBondContact O-N 3.17Å; F280-V283 CarbonylContact O-C 3.57Å; F280-V283 WeakPolarHBondContact O-CA 3.29Å; F280-V283 WeakPolarHBondContact O-CB 3.33Å; F280-V283 PolarHBondContact O-N 3.38Å; T281-V283 VanDerWaalsContact C-N 3.3Å; T281-V283 PolarHBondContact O-N 3.22Å; V283-Y286 PolarHBondContact O-N 3.36Å; V283-M287 HydrophobicContact CG1-CG 4.29Å; V283-M287 WeakPolarHBondContact O-CB 3.41Å; V283-M287 VanDerWaalsContact O-CG 3.31Å; V283-M287 WeakPolarHBondContact O-CG 3.25Å; V283-M287 PolarHBondContact O-N 2.87Å
284I94.6Very high91.1Very high0 Ų063.3 Ų63.30%030%0.3CS..Hα-helixtrans-57.8-60.5171.2-67.5171.9000109.3F207 K253 L256 E257 V260 F280 T281 Y286 M287 F288F207-I284 HydrophobicContact CD1-CG1 4.36Å; F207-I284 HydrophobicContact CE1-CB 4.31Å; F207-I284 HydrophobicContact CE1-CG1 3.58Å; F207-I284 HydrophobicContact CZ-CB 4.43Å; F207-I284 HydrophobicContact CZ-CG1 3.95Å; K253-I284 HydrophobicContact CD-CG2 4.14Å; K253-I284 HydrophobicContact CG-CG2 3.93Å; L256-I284 HydrophobicContact CB-CD1 3.94Å; E257-I284 HydrophobicContact CG-CD1 4.47Å; E257-I284 HydrophobicContact CG-CG2 4.41Å; V260-I284 HydrophobicContact CG2-CD1 4.28Å; F280-I284 HydrophobicContact CD1-CD1 3.77Å; F280-I284 HydrophobicContact CD1-CG1 4.12Å; F280-I284 HydrophobicContact CE1-CD1 3.94Å; F280-I284 HydrophobicContact CE1-CG1 4.19Å; F280-I284 PolarHBondContact O-N 2.93Å; T281-I284 WeakPolarHBondContact O-CB 3.39Å; T281-I284 PolarHBondContact O-N 3.3Å; I284-Y286 PolarHBondContact O-N 3.02Å; I284-Y286 VanDerWaalsContact O-N 3.14Å; I284-M287 PolarHBondContact O-N 3.42Å; I284-F288 HydrophobicContact CB-CD2 4.48Å; I284-F288 HydrophobicContact CG2-CD2 3.65Å; I284-F288 HydrophobicContact CG2-CE2 3.93Å; I284-F288 VanDerWaalsContact O-CD2 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.91Å
285D93.9Very high90.9Very high78 Ų7860.3 Ų60.342%0.41730%0.296SS..Hα-helixtrans-58.8-31.7-177.8-79.2-31.4000113.6K253 T281 S289K253-D285 IonicContact NZ-OD1 2.92Å; K253-D285 PolarHBondContact NZ-OD1 3.47Å; T281-D285 PolarHBondContact O-N 3.46Å; D285-S289 PolarHBondContact O-N 3.02Å; D285-S289 VanDerWaalsContact O-N 3.16Å
286Y93.5Very high90.5Very high88 Ų8857.5 Ų57.535%0.34528%0.278SS..Hα-helixtrans-70.7-44.2172.2172.1-107.4000113L22 L282 V283 I284 S289 K292L22-Y286 HydrophobicContact CD1-CE2 4Å; L22-Y286 VanDerWaalsContact CD1-OH 3.31Å; L22-Y286 WeakPolarHBondContact CD1-OH 3.35Å; L22-Y286 HydrophobicContact CD2-CE1 4.3Å; L22-Y286 HydrophobicContact CD2-CE2 4.38Å; L22-Y286 WeakPolarHBondContact CD2-OH 3.46Å; L282-Y286 VanDerWaalsContact O-CB 3.31Å; L282-Y286 WeakPolarHBondContact O-CB 3.37Å; L282-Y286 PolarHBondContact O-N 3.16Å; L282-Y286 VanDerWaalsContact O-N 3.13Å; V283-Y286 PolarHBondContact O-N 3.36Å; I284-Y286 PolarHBondContact O-N 3.02Å; I284-Y286 VanDerWaalsContact O-N 3.14Å; Y286-S289 VanDerWaalsContact O-CB 3.23Å; Y286-S289 WeakPolarHBondContact O-CB 3.48Å; Y286-S289 PolarHBondContact O-N 2.9Å; Y286-K292 HydrophobicContact CE1-CD 4.33Å; Y286-K292 HydrophobicContact CE1-CG 4.36Å; Y286-K292 VanDerWaalsContact O-CB 3.29Å; Y286-K292 WeakPolarHBondContact O-CB 3.39Å
287M91.9Very high89.9Confident9 Ų959.6 Ų59.64%0.04429%0.287CS..Hα-helixtrans-71.4-32.1-179.2-75.6-64.3-6300113.3Y203 V206 F207 V283 I284 S289 K292 L296Y203-M287 HydrophobicContact CD1-CE 4.47Å; Y203-M287 HydrophobicContact CE1-CB 4.13Å; Y203-M287 HydrophobicContact CE1-CE 4.25Å; Y203-M287 WeakPolarHBondContact CE1-O 3.48Å; Y203-M287 PolarHBondContact OH-O 3.14Å; V206-M287 HydrophobicContact CB-CE 4.29Å; V206-M287 HydrophobicContact CG1-CE 3.82Å; V206-M287 HydrophobicContact CG1-SD 4.12Å; V206-M287 HydrophobicContact CG2-CE 4.45Å; F207-M287 HydrophobicContact CE1-CG 4.47Å; F207-M287 HydrophobicContact CZ-CB 3.85Å; F207-M287 HydrophobicContact CZ-CG 4.19Å; V283-M287 HydrophobicContact CG1-CG 4.29Å; V283-M287 WeakPolarHBondContact O-CB 3.41Å; V283-M287 VanDerWaalsContact O-CG 3.31Å; V283-M287 WeakPolarHBondContact O-CG 3.25Å; V283-M287 PolarHBondContact O-N 2.87Å; I284-M287 PolarHBondContact O-N 3.42Å; M287-S289 VanDerWaalsContact C-N 3.33Å; M287-K292 HydrophobicContact SD-CG 4.18Å; M287-L296 HydrophobicContact CE-CD1 4.04Å
288F91.4Very high89.3Confident28 Ų2868.8 Ų68.812%0.12332%0.321CS..THydrogen-bonded Turntrans-9417.9172.1-62.5-86.3000112.6Y203 F207 L249 L252 K253 L256 I284 M293Y203-F288 HydrophobicContact CD1-CD1 4.45Å; Y203-F288 AromaticContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE1 3.85Å; Y203-F288 HydrophobicContact CD1-CE2 4.17Å; Y203-F288 AromaticContact CD1-CZ 3.69Å; Y203-F288 HydrophobicContact CD1-CZ 3.69Å; Y203-F288 AromaticContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD1 3.95Å; Y203-F288 HydrophobicContact CE1-CD2 4.47Å; Y203-F288 AromaticContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE1 3.81Å; Y203-F288 HydrophobicContact CE1-CE2 4.33Å; Y203-F288 HydrophobicContact CE1-CG 4.29Å; Y203-F288 HydrophobicContact CE1-CZ 4Å; F207-F288 AromaticContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CE2 3.7Å; F207-F288 HydrophobicContact CE2-CZ 4.15Å; F207-F288 HydrophobicContact CZ-CD2 4.24Å; F207-F288 AromaticContact CZ-CE2 3.62Å; F207-F288 HydrophobicContact CZ-CE2 3.62Å; L249-F288 HydrophobicContact CD1-CD1 4.34Å; L249-F288 HydrophobicContact CD1-CE1 3.6Å; L249-F288 HydrophobicContact CD1-CZ 4.48Å; L249-F288 HydrophobicContact CD2-CD1 4.22Å; L249-F288 HydrophobicContact CD2-CE1 4.29Å; L249-F288 HydrophobicContact CG-CD1 3.89Å; L249-F288 HydrophobicContact CG-CE1 3.61Å; L249-F288 WeakPolarHBondContact O-CE1 3.28Å; L252-F288 HydrophobicContact CD2-CZ 4.37Å; L252-F288 HydrophobicContact CG-CZ 4.28Å; K253-F288 HydrophobicContact CB-CD1 3.87Å; K253-F288 HydrophobicContact CB-CD2 4.07Å; K253-F288 HydrophobicContact CB-CE1 3.75Å; K253-F288 HydrophobicContact CB-CE2 3.99Å; K253-F288 HydrophobicContact CB-CG 4.04Å; K253-F288 HydrophobicContact CB-CZ 3.83Å; K253-F288 HydrophobicContact CD-CB 3.99Å; K253-F288 HydrophobicContact CD-CD2 4.13Å; K253-F288 HydrophobicContact CD-CG 4.01Å; K253-F288 HydrophobicContact CG-CD2 4.02Å; K253-F288 HydrophobicContact CG-CE2 4.23Å; K253-F288 HydrophobicContact CG-CG 4.2Å; L256-F288 HydrophobicContact CD1-CE2 3.75Å; L256-F288 HydrophobicContact CD1-CZ 3.76Å; I284-F288 HydrophobicContact CB-CD2 4.48Å; I284-F288 HydrophobicContact CG2-CD2 3.65Å; I284-F288 HydrophobicContact CG2-CE2 3.93Å; I284-F288 VanDerWaalsContact O-CD2 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.39Å; I284-F288 PolarHBondContact O-N 2.91Å; F288-M293 HydrophobicContact CB-SD 4.49Å
289S90Very high88.9Confident42 Ų4263.5 Ų63.529%0.29431%0.314SS..SBendtrans-74.2137.4168.7175.80000110.7D285 Y286 M287 E291 K292 M293D285-S289 PolarHBondContact O-N 3.02Å; D285-S289 VanDerWaalsContact O-N 3.16Å; Y286-S289 VanDerWaalsContact O-CB 3.23Å; Y286-S289 WeakPolarHBondContact O-CB 3.48Å; Y286-S289 PolarHBondContact O-N 2.9Å; M287-S289 VanDerWaalsContact C-N 3.33Å; S289-E291 PolarHBondContact O-N 3.12Å; S289-E291 VanDerWaalsContact O-N 3.1Å; S289-K292 PolarHBondContact O-N 3.38Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 2.87Å
290K85.8Confident88.1Confident122 Ų12258.7 Ų58.753%0.5330%0.295SS..Hα-helixtrans-50.7-37.8177.8175.7158.8-173.8161.60113L294 F313K290-L294 HydrophobicContact CD-CD1 4.45Å; K290-L294 HydrophobicContact CG-CD1 3.81Å; K290-L294 HydrophobicContact CG-CG 4.34Å; K290-L294 VanDerWaalsContact O-CB 3.32Å; K290-L294 WeakPolarHBondContact O-CB 3.48Å; K290-L294 VanDerWaalsContact O-CG 3.25Å; K290-L294 WeakPolarHBondContact O-CG 3.35Å; K290-L294 PolarHBondContact O-N 3.14Å; K290-F313 HydrophobicContact CB-CE1 3.97Å; K290-F313 HydrophobicContact CB-CZ 4.39Å; K290-F313 HydrophobicContact CD-CD1 4.34Å; K290-F313 HydrophobicContact CD-CE1 3.86Å; K290-F313 HydrophobicContact CD-CZ 4.37Å; K290-F313 HydrophobicContact CG-CE1 3.65Å; K290-F313 HydrophobicContact CG-CZ 3.85Å
291E86.7Confident87.1Confident144 Ų14464.4 Ų64.467%0.67333%0.332SS*.Hα-helixtrans-67.1-41.6178-65.9-179.4-174.400112.2S289 S295S289-E291 PolarHBondContact O-N 3.12Å; S289-E291 VanDerWaalsContact O-N 3.1Å; E291-S295 WeakPolarHBondContact O-CB 3.33Å; E291-S295 PolarHBondContact O-N 3.46Å
292K88.2Confident85.8Confident37 Ų3763.6 Ų63.616%0.16133%0.333CS..Hα-helixtrans-72.2-41.7179.4-17652169.9175.60111.4Y286 M287 S289 S295 L296Y286-K292 HydrophobicContact CE1-CD 4.33Å; Y286-K292 HydrophobicContact CE1-CG 4.36Å; Y286-K292 VanDerWaalsContact O-CB 3.29Å; Y286-K292 WeakPolarHBondContact O-CB 3.39Å; M287-K292 HydrophobicContact SD-CG 4.18Å; S289-K292 PolarHBondContact O-N 3.38Å; K292-S295 WeakPolarHBondContact O-CB 3.38Å; K292-S295 PolarHBondContact O-N 3.18Å; K292-L296 HydrophobicContact CD-CD1 4.3Å; K292-L296 HydrophobicContact CD-CG 4.31Å; K292-L296 HydrophobicContact CG-CD1 4.21Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 2.79Å
293M85.1Confident84.8Confident16 Ų1658.1 Ų58.18%0.07930%0.304CS..Hα-helixtrans-60.8-50174.9-68.4159.162.500111.6Y203 L249 F288 S289 S295 L296 Q297 L311 F313Y203-M293 WeakPolarHBondContact OH-CG 3.44Å; L249-M293 HydrophobicContact CD2-CE 4.12Å; L249-M293 HydrophobicContact CD2-CG 4.39Å; F288-M293 HydrophobicContact CB-SD 4.49Å; S289-M293 WeakPolarHBondContact O-CG 3.47Å; S289-M293 PolarHBondContact O-N 2.87Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 2.95Å; M293-L296 PolarHBondContact O-N 3.01Å; M293-L296 VanDerWaalsContact O-N 3.15Å; M293-Q297 WeakPolarHBondContact O-CB 3.1Å; M293-Q297 PolarHBondContact O-N 3.1Å; M293-L311 HydrophobicContact CB-CD1 4.48Å; M293-L311 HydrophobicContact CE-CD1 4Å; M293-L311 HydrophobicContact CE-CG 3.94Å; M293-L311 WeakPolarHBondContact CE-O 3.5Å; M293-F313 HydrophobicContact CB-CZ 4Å; M293-F313 HydrophobicContact CE-CD1 4.43Å; M293-F313 HydrophobicContact CE-CE1 3.72Å; M293-F313 HydrophobicContact CE-CZ 3.81Å; M293-F313 HydrophobicContact SD-CE1 4.5Å
294L83.2Confident83.6Confident44 Ų4463.3 Ų63.323%0.2333%0.326CS..Hα-helixtrans-64.4-27.6175-71.7172.8000113.1K290 R298 F313K290-L294 HydrophobicContact CD-CD1 4.45Å; K290-L294 HydrophobicContact CG-CD1 3.81Å; K290-L294 HydrophobicContact CG-CG 4.34Å; K290-L294 VanDerWaalsContact O-CB 3.32Å; K290-L294 WeakPolarHBondContact O-CB 3.48Å; K290-L294 VanDerWaalsContact O-CG 3.25Å; K290-L294 WeakPolarHBondContact O-CG 3.35Å; K290-L294 PolarHBondContact O-N 3.14Å; L294-R298 WeakPolarHBondContact O-CG 3.19Å; L294-F313 HydrophobicContact CD2-CE2 3.64Å; L294-F313 HydrophobicContact CD2-CZ 4.16Å; L294-F313 HydrophobicContact CG-CE2 3.95Å; L294-F313 HydrophobicContact CG-CZ 3.94Å
295S85.6Confident82.5Confident48 Ų4871.9 Ų71.934%0.33636%0.358SS..Hα-helixtrans-72.4-40.3172.4-172.20000112E291 K292 M293 R298 A299E291-S295 WeakPolarHBondContact O-CB 3.33Å; E291-S295 PolarHBondContact O-N 3.46Å; K292-S295 WeakPolarHBondContact O-CB 3.38Å; K292-S295 PolarHBondContact O-N 3.18Å; M293-S295 VanDerWaalsContact C-N 3.25Å; M293-S295 PolarHBondContact O-N 2.95Å; S295-R298 PolarHBondContact O-N 3.26Å; S295-A299 WeakPolarHBondContact O-CB 3.39Å; S295-A299 PolarHBondContact O-N 3.01Å; S295-A299 VanDerWaalsContact O-N 3.17Å
296L83.9Confident81.6Confident12 Ų1268.4 Ų68.46%0.06334%0.34CS..Hα-helixtrans-70-39.1178-72.9170.1000111.6F202 Y203 M287 K292 M293 R298 A299 L300F202-L296 HydrophobicContact CE1-CD1 4.1Å; F202-L296 HydrophobicContact CE1-CD2 3.67Å; F202-L296 HydrophobicContact CZ-CD2 3.92Å; Y203-L296 HydrophobicContact CE2-CD1 3.71Å; Y203-L296 WeakPolarHBondContact OH-CD1 3.48Å; M287-L296 HydrophobicContact CE-CD1 4.04Å; K292-L296 HydrophobicContact CD-CD1 4.3Å; K292-L296 HydrophobicContact CD-CG 4.31Å; K292-L296 HydrophobicContact CG-CD1 4.21Å; K292-L296 WeakPolarHBondContact O-CG 3.44Å; K292-L296 PolarHBondContact O-N 2.79Å; M293-L296 PolarHBondContact O-N 3.01Å; M293-L296 VanDerWaalsContact O-N 3.15Å; L296-R298 PolarHBondContact O-N 3.46Å; L296-A299 PolarHBondContact O-N 2.9Å; L296-L300 HydrophobicContact CB-CD1 4.38Å; L296-L300 HydrophobicContact CD2-CD1 4.48Å; L296-L300 PolarHBondContact O-N 2.93Å
297Q79.6Confident80.7Confident55 Ų5567.2 Ų67.226%0.25734%0.342SS..Hα-helixtrans-60-27.3175-164.1-17723.900113.3M293 M303 L311M293-Q297 WeakPolarHBondContact O-CB 3.1Å; M293-Q297 PolarHBondContact O-N 3.1Å; Q297-M303 HydrophobicContact CB-CG 4.42Å; Q297-M303 HydrophobicContact CG-CG 4.2Å; Q297-L311 HydrophobicContact CB-CD2 4.39Å; Q297-L311 HydrophobicContact CG-CD2 4.31Å
298R80.8Confident79.8Confident195 Ų19568.6 Ų68.674%0.73635%0.354SS*.Hα-helixtrans-89.7-20.2174.2-64.5175-161.5133.62.3114.1L294 S295 L296L294-R298 WeakPolarHBondContact O-CG 3.19Å; S295-R298 PolarHBondContact O-N 3.26Å; L296-R298 PolarHBondContact O-N 3.46Å
299A82.7Confident79Confident60 Ų6074.5 Ų74.550%0.49638%0.382SS..Hα-helixtrans-96.9-29.7-173.900000113.1S295 L296S295-A299 WeakPolarHBondContact O-CB 3.39Å; S295-A299 PolarHBondContact O-N 3.01Å; S295-A299 VanDerWaalsContact O-N 3.17Å; L296-A299 PolarHBondContact O-N 2.9Å
300L77.7Confident78.5Confident42 Ų4275.4 Ų75.422%0.2238%0.382CS..SBendtrans-90.1128.3-177.4-66173.6000111.1L199 F202 L296 M303L199-L300 HydrophobicContact CD1-CD1 3.77Å; F202-L300 HydrophobicContact CD1-CD1 4.09Å; F202-L300 HydrophobicContact CD2-CD2 4.43Å; F202-L300 HydrophobicContact CE1-CD1 4.33Å; F202-L300 HydrophobicContact CE2-CD2 4.37Å; F202-L300 HydrophobicContact CG-CD1 4.34Å; L296-L300 HydrophobicContact CB-CD1 4.38Å; L296-L300 HydrophobicContact CD2-CD1 4.48Å; L296-L300 PolarHBondContact O-N 2.93Å; L300-M303 HydrophobicContact CB-CB 4Å; L300-M303 HydrophobicContact CB-CE 3.94Å; L300-M303 HydrophobicContact CB-CG 4.34Å; L300-M303 HydrophobicContact CD1-CE 4Å; L300-M303 VanDerWaalsContact O-CB 3.25Å; L300-M303 WeakPolarHBondContact O-CB 3.46Å; L300-M303 PolarHBondContact O-N 3.02Å
301P72Confident77.9Confident124 Ų12469.9 Ų69.981%0.80536%0.358SS*.THydrogen-bonded Turntrans-63.3145.8176.727-34000111M303P301-M303 PolarHBondContact O-N 2.95Å; P301-M303 VanDerWaalsContact O-N 3.15Å
302G66.8Low77.1Confident30 Ų3063.9 Ų63.931%0.30934%0.335SS..THydrogen-bonded Turntrans74.5-11.5-177.200000115.8H304 R305G302-H304 PolarHBondContact O-N 3.37Å; G302-H304 VanDerWaalsContact O-N 3.08Å; G302-R305 WeakPolarHBondContact O-CB 3.42Å; G302-R305 WeakPolarHBondContact O-CG 3.45Å; G302-R305 PolarHBondContact O-N 2.79Å
303M72.8Confident76.1Confident10 Ų1063.5 Ų63.55%0.04933%0.334CS..G310 helixtrans-69.3-10.6-172.6-152.754.954.500114.8L199 Q297 L300 P301 R305 V306L199-M303 HydrophobicContact CB-CE 3.87Å; L199-M303 HydrophobicContact CB-SD 3.82Å; L199-M303 HydrophobicContact CD1-CE 3.97Å; L199-M303 HydrophobicContact CD1-SD 3.85Å; L199-M303 HydrophobicContact CD2-SD 3.85Å; L199-M303 HydrophobicContact CG-CE 4.42Å; L199-M303 HydrophobicContact CG-SD 4.04Å; Q297-M303 HydrophobicContact CB-CG 4.42Å; Q297-M303 HydrophobicContact CG-CG 4.2Å; L300-M303 HydrophobicContact CB-CB 4Å; L300-M303 HydrophobicContact CB-CE 3.94Å; L300-M303 HydrophobicContact CB-CG 4.34Å; L300-M303 HydrophobicContact CD1-CE 4Å; L300-M303 VanDerWaalsContact O-CB 3.25Å; L300-M303 WeakPolarHBondContact O-CB 3.46Å; L300-M303 PolarHBondContact O-N 3.02Å; P301-M303 PolarHBondContact O-N 2.95Å; P301-M303 VanDerWaalsContact O-N 3.15Å; M303-R305 PolarHBondContact O-N 3.47Å; M303-V306 PolarHBondContact O-N 2.92Å; M303-V306 HydrophobicContact SD-CB 4.21Å; M303-V306 HydrophobicContact SD-CG2 3.54Å; M303-V306 VanDerWaalsContact SD-CG2 3.54Å
304H69.1Low74.8Confident145 Ų14567.5 Ų67.567%0.67136%0.363SS*.G310 helixtrans-63.5-13.2167.662.4-101.6000113.6G302G302-H304 PolarHBondContact O-N 3.37Å; G302-H304 VanDerWaalsContact O-N 3.08Å
305R71.2Confident73.2Confident180 Ų18073 Ų7368%0.67939%0.387SS*.G310 helixtrans-87.4-14177.2-60-174.3179.1-168.6-3114P195 G302 M303P195-R305 HydrophobicContact CB-CB 4.29Å; P195-R305 HydrophobicContact CG-CB 4.07Å; G302-R305 WeakPolarHBondContact O-CB 3.42Å; G302-R305 WeakPolarHBondContact O-CG 3.45Å; G302-R305 PolarHBondContact O-N 2.79Å; M303-R305 PolarHBondContact O-N 3.47Å
306V75Confident71.2Confident5 Ų574.8 Ų74.83%0.0340%0.397CS..SBendtrans-82122.9175.4178.50000108.4P195 L196 M303 Q310 L311P195-V306 HydrophobicContact CB-CG2 3.94Å; L196-V306 HydrophobicContact CB-CG2 4.42Å; L196-V306 HydrophobicContact CD1-CG1 4.42Å; M303-V306 PolarHBondContact O-N 2.92Å; M303-V306 HydrophobicContact SD-CB 4.21Å; M303-V306 HydrophobicContact SD-CG2 3.54Å; M303-V306 VanDerWaalsContact SD-CG2 3.54Å; V306-Q310 HydrophobicContact CG1-CB 3.8Å; V306-L311 HydrophobicContact CG1-CB 4.49Å
307T74.7Confident69.2Low64 Ų6480 Ų8039%0.39343%0.431SS..  trans-70.8158.2-175.869.40000111.5E309 Q310 L311T307-E309 PolarHBondContact O-N 3.4Å; T307-Q310 PolarHBondContact O-N 3.46Å; T307-Q310 WeakPolarHBondContact OG1-CB 3.49Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.34Å; T307-Q310 PolarHBondContact OG1-N 3.34Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 PolarHBondContact O-N 2.9Å
308A72.9Confident67.5Low37 Ų3785.7 Ų85.731%0.30646%0.455SS..THydrogen-bonded Turntrans-57.1-38174.200000111.7L311 G312 F313A308-L311 CarbonylContact O-C 3.47Å; A308-L311 PolarHBondContact O-N 2.86Å; A308-G312 PolarHBondContact O-N 3.42Å; A308-F313 HydrophobicContact CB-CB 4.25Å; A308-F313 WeakPolarHBondContact O-CA 3.28Å; A308-F313 WeakPolarHBondContact O-CB 3.27Å; A308-F313 PolarHBondContact O-N 3.12Å
309E75.4Confident65.5Low153 Ų15385 Ų8572%0.71546%0.46SS*.THydrogen-bonded Turntrans-63.2-50177.2-56.3177.8153.700112.3T307 L311 G312T307-E309 PolarHBondContact O-N 3.4Å; E309-L311 PolarHBondContact O-N 2.91Å; E309-G312 WeakPolarHBondContact O-CA 3.4Å; E309-G312 PolarHBondContact O-N 3.18Å
310Q78.7Confident63.5Low60 Ų6089.8 Ų89.828%0.2848%0.477SS..THydrogen-bonded Turntrans-57.8-37.4173.6-79.4177-30.100111.9L196 T248 L249 V306 T307 G312L196-Q310 HydrophobicContact CD1-CB 3.71Å; L196-Q310 HydrophobicContact CD1-CG 3.92Å; T248-Q310 CarbonylContact C-O 3.58Å; T248-Q310 WeakPolarHBondContact CA-O 3.31Å; L249-Q310 PolarHBondContact N-O 3.19Å; V306-Q310 HydrophobicContact CG1-CB 3.8Å; T307-Q310 PolarHBondContact O-N 3.46Å; T307-Q310 WeakPolarHBondContact OG1-CB 3.49Å; T307-Q310 WeakPolarHBondContact OG1-CG 3.34Å; T307-Q310 PolarHBondContact OG1-N 3.34Å; T307-Q310 VanDerWaalsContact OG1-N 3.15Å; Q310-G312 PolarHBondContact O-N 3.19Å
311L74.2Confident61.7Low6 Ų695.2 Ų95.23%0.03150%0.501CS..THydrogen-bonded Turntrans-75.33.4176.2-163.153.8000112.9L199 L249 M293 Q297 V306 T307 A308 E309 F313L199-L311 HydrophobicContact CD2-CD1 4.09Å; L249-L311 HydrophobicContact CD2-CD1 3.6Å; M293-L311 HydrophobicContact CB-CD1 4.48Å; M293-L311 HydrophobicContact CE-CD1 4Å; M293-L311 HydrophobicContact CE-CG 3.94Å; M293-L311 WeakPolarHBondContact CE-O 3.5Å; Q297-L311 HydrophobicContact CB-CD2 4.39Å; Q297-L311 HydrophobicContact CG-CD2 4.31Å; V306-L311 HydrophobicContact CG1-CB 4.49Å; T307-L311 WeakPolarHBondContact O-CB 3.23Å; T307-L311 PolarHBondContact O-N 2.9Å; A308-L311 CarbonylContact O-C 3.47Å; A308-L311 PolarHBondContact O-N 2.86Å; E309-L311 PolarHBondContact O-N 2.91Å; L311-F313 HydrophobicContact CB-CD2 4.29Å; L311-F313 HydrophobicContact CD2-CD2 4.01Å; L311-F313 HydrophobicContact CD2-CE2 3.54Å; L311-F313 HydrophobicContact CD2-CZ 4.36Å; L311-F313 HydrophobicContact CG-CD2 4.11Å; L311-F313 HydrophobicContact CG-CE2 3.83Å; L311-F313 HydrophobicContact CG-CZ 4.37Å; L311-F313 PolarHBondContact O-N 2.69Å
312G69.7Low60Low19 Ų1993.1 Ų93.120%0.19649%0.488CS..THydrogen-bonded Turntrans76.17178.600000114.4A308 E309 Q310 S314A308-G312 PolarHBondContact O-N 3.42Å; E309-G312 WeakPolarHBondContact O-CA 3.4Å; E309-G312 PolarHBondContact O-N 3.18Å; Q310-G312 PolarHBondContact O-N 3.19Å; G312-S314 PolarHBondContact O-N 3.48Å; G312-S314 VanDerWaalsContact O-N 3.14Å
313F67.7Low58.9Low29 Ų2996.3 Ų96.313%0.12750%0.497CS..  trans-82.786.8170.7-59.8-37.5000109.2K290 M293 L294 A308 L311 E315K290-F313 HydrophobicContact CB-CE1 3.97Å; K290-F313 HydrophobicContact CB-CZ 4.39Å; K290-F313 HydrophobicContact CD-CD1 4.34Å; K290-F313 HydrophobicContact CD-CE1 3.86Å; K290-F313 HydrophobicContact CD-CZ 4.37Å; K290-F313 HydrophobicContact CG-CE1 3.65Å; K290-F313 HydrophobicContact CG-CZ 3.85Å; M293-F313 HydrophobicContact CB-CZ 4Å; M293-F313 HydrophobicContact CE-CD1 4.43Å; M293-F313 HydrophobicContact CE-CE1 3.72Å; M293-F313 HydrophobicContact CE-CZ 3.81Å; M293-F313 HydrophobicContact SD-CE1 4.5Å; L294-F313 HydrophobicContact CD2-CE2 3.64Å; L294-F313 HydrophobicContact CD2-CZ 4.16Å; L294-F313 HydrophobicContact CG-CE2 3.95Å; L294-F313 HydrophobicContact CG-CZ 3.94Å; A308-F313 HydrophobicContact CB-CB 4.25Å; A308-F313 WeakPolarHBondContact O-CA 3.28Å; A308-F313 WeakPolarHBondContact O-CB 3.27Å; A308-F313 PolarHBondContact O-N 3.12Å; L311-F313 HydrophobicContact CB-CD2 4.29Å; L311-F313 HydrophobicContact CD2-CD2 4.01Å; L311-F313 HydrophobicContact CD2-CE2 3.54Å; L311-F313 HydrophobicContact CD2-CZ 4.36Å; L311-F313 HydrophobicContact CG-CD2 4.11Å; L311-F313 HydrophobicContact CG-CE2 3.83Å; L311-F313 HydrophobicContact CG-CZ 4.37Å; L311-F313 PolarHBondContact O-N 2.69Å; F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.36Å
314S56.2Low57.5Low99 Ų99107.9 Ų107.969%0.69254%0.541SS*.  trans-64.296.2162.751.90000109.3G312 T316G312-S314 PolarHBondContact O-N 3.48Å; G312-S314 VanDerWaalsContact O-N 3.14Å; S314-T316 PolarHBondContact O-N 3.03Å
315E49.9Very low56.3Low159 Ų159109.7 Ų109.774%0.74355%0.546SS*.  trans-70.568.5163.3-62.5-156.8156.600109.2F313 P317F313-E315 VanDerWaalsContact C-N 3.31Å; F313-E315 PolarHBondContact O-N 3.36Å; E315-P317 VanDerWaalsContact O-CD 3.3Å; E315-P317 WeakPolarHBondContact O-CD 3.42Å; E315-P317 VanDerWaalsContact O-N 3.11Å
316T44.7Very low54.9Low86 Ų86103.8 Ų103.853%0.52854%0.541SS..  trans-45.3117.6145.346.30000106.4S314 K318S314-T316 PolarHBondContact O-N 3.03Å; T316-K318 PolarHBondContact O-N 3.34Å
317P41.3Very low53.8Low122 Ų122113.5 Ų113.579%0.79258%0.584SS**  trans-67.794.1-179.726.3-33000107.1E315 Q319E315-P317 VanDerWaalsContact O-CD 3.3Å; E315-P317 WeakPolarHBondContact O-CD 3.42Å; E315-P317 VanDerWaalsContact O-N 3.11Å; P317-Q319 PolarHBondContact O-N 2.96Å
318K43.7Very low52.6Low175 Ų175115.8 Ų115.876%0.76160%0.598SS**  trans-70.786.1167.6-71.9174.1-175.4170.50105.8T316 L320T316-K318 PolarHBondContact O-N 3.34Å; K318-L320 PolarHBondContact O-N 3.4Å
319Q38.7Very low51.7Low180 Ų180122.3 Ų122.384%0.84163%0.627SS**  trans-30.2128144.5-72.3-176.7-2400107.1P317 H321P317-Q319 PolarHBondContact O-N 2.96Å; Q319-H321 PolarHBondContact O-N 3.47Å
320L40.3Very low50.6Low161 Ų161125.1 Ų125.184%0.84363%0.631SS**  trans-70.371.2-167.7-80.3165.5000111.2K318 C322K318-L320 PolarHBondContact O-N 3.4Å; L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 2.93Å; L320-C322 PolarHBondContact O-SG 2.79Å
321H40Very low49.3Very low156 Ų156127.5 Ų127.572%0.72265%0.653SS**  trans-77.590.6174.9-156.314.2000106.9Q319 L323Q319-H321 PolarHBondContact O-N 3.47Å; H321-L323 WeakPolarHBondContact CE1-CD1 3.26Å; H321-L323 PolarHBondContact O-N 3.45Å
322C36.4Very low48.2Very low80 Ų80133 Ų13354%0.54169%0.689SS.*  trans-66.458.6-172.4-67.60000113.4L320 L333L320-C322 VanDerWaalsContact C-N 3.3Å; L320-C322 PolarHBondContact O-N 2.93Å; L320-C322 PolarHBondContact O-SG 2.79Å; C322-L333 HydrophobicContact CB-CD2 3.56Å; C322-L333 WeakPolarHBondContact SG-CD2 3.14Å
323L43.8Very low47.4Very low96 Ų96137.6 Ų137.650%0.50371%0.709SS.*  trans-135.170.4-170-70.7-175.8000112.8H321 K325H321-L323 WeakPolarHBondContact CE1-CD1 3.26Å; H321-L323 PolarHBondContact O-N 3.45Å; L323-K325 HydrophobicContact CD2-CG 4.21Å
324R43.1Very low47.2Very low254 Ų254141.3 Ų141.396%0.95873%0.734SS**  trans-92.8110.1131.2-96.9-172.1170176-1.4107.8G326R324-G326 PolarHBondContact O-N 3.47Å
325K43.9Very low47.6Very low182 Ų182141.3 Ų141.379%0.79173%0.729SS**  trans-6972.1-172.7-67.5176.5177.41760112.4L323L323-K325 HydrophobicContact CD2-CG 4.21Å
326G43Very low48.5Very low56 Ų56139.5 Ų139.558%0.57773%0.725SS**  trans-72.2133.416700000110.9R324 T328R324-G326 PolarHBondContact O-N 3.47Å; G326-T328 VanDerWaalsContact C-N 3.25Å; G326-T328 PolarHBondContact O-N 3.38Å
327K51.9Low50Low210 Ų210142.9 Ų142.991%0.91374%0.739SS**  trans-79.568.7179.1-68.1177.9178.71750111.2
328T49.5Very low51.8Low112 Ų112140.9 Ų140.969%0.68772%0.722SS**  trans-126.294.7-179.249.70000111.3G326 R330G326-T328 VanDerWaalsContact C-N 3.25Å; G326-T328 PolarHBondContact O-N 3.38Å; T328-R330 PolarHBondContact O-N 3.25Å
329N52.8Low53.6Low173 Ų173136.3 Ų136.393%0.92571%0.709SS**THydrogen-bonded Turntrans-73.244.7-178-56-19.8000113.3
330R53.6Low55.7Low212 Ų212134.7 Ų134.780%0.871%0.706SS**THydrogen-bonded Turntrans-119.6-19.6-170.6-81-167.6169.5-169.1-4.4116.6T328T328-R330 PolarHBondContact O-N 3.25Å
331C50.3Low57.7Low111 Ų111133.3 Ų133.375%0.7570%0.695SS**  trans-141.7120.4164.4-64.50000109.1L333C331-L333 PolarHBondContact O-N 2.68Å
332P51.1Low59.8Low121 Ų121130.5 Ų130.579%0.78668%0.682SS**  trans-67.5117.3149.429.9-28.4000106.7V334P332-V334 PolarHBondContact O-N 3.14Å
333L53Low62Low115 Ų115130.2 Ų130.260%0.60268%0.678SS**  trans-70.6112.3167.4-178.869000106.6C322 C331 V335C322-L333 HydrophobicContact CB-CD2 3.56Å; C322-L333 WeakPolarHBondContact SG-CD2 3.14Å; C331-L333 PolarHBondContact O-N 2.68Å; L333-V335 PolarHBondContact O-N 3.27Å
334V63.8Low64.1Low107 Ų107129.8 Ų129.865%0.64868%0.676SS**PPolyproline II helixtrans-66.1120.8166.7-178.60000106.4P332P332-V334 PolarHBondContact O-N 3.14Å
335V64.3Low66.1Low100 Ų100121 Ų12161%0.60665%0.652SS**PPolyproline II helixtrans-91.7119.8160.7178.80000104.1L333 D337L333-V335 PolarHBondContact O-N 3.27Å; V335-D337 PolarHBondContact O-N 3.26Å
336D69.6Low68.2Low121 Ų121116.5 Ų116.565%0.64763%0.634SS**PPolyproline II helixtrans-78.9116.4171.8-67-52.9000107.4L338D336-L338 HydrophobicContact CB-CD1 4.44Å; D336-L338 PolarHBondContact O-N 2.7Å
337D76.7Confident70.3Confident156 Ų156116.5 Ų116.583%0.83463%0.629SS**  trans-74.224.6-178.3-61.3-51.4000113.1V335V335-D337 PolarHBondContact O-N 3.26Å
338L78Confident72.2Confident81 Ų81111.4 Ų111.442%0.42461%0.608SS.*  trans-81.9135-179.4-69.5167.4000110.7D336 E342 V343D336-L338 HydrophobicContact CB-CD1 4.44Å; D336-L338 PolarHBondContact O-N 2.7Å; L338-E342 HydrophobicContact CD2-CB 4.06Å; L338-V343 HydrophobicContact CB-CG2 3.85Å; L338-V343 HydrophobicContact CD1-CG2 4.49Å
339T81.3Confident74Confident79 Ų79109.3 Ų109.349%0.48560%0.595SS.*  trans-75.3156.6171.361.30000111.6E341 E342 V343T339-E341 PolarHBondContact O-N 3.2Å; T339-E341 VanDerWaalsContact O-N 3.16Å; T339-E342 WeakPolarHBondContact CB-OE2 3.41Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 WeakPolarHBondContact O-CB 3.42Å; T339-E342 PolarHBondContact O-N 3.05Å; T339-E342 VanDerWaalsContact OG1-CD 3.32Å; T339-E342 WeakPolarHBondContact OG1-CG 3.47Å; T339-E342 PolarHBondContact OG1-OE2 3.18Å; T339-V343 WeakPolarHBondContact O-CG2 3.31Å; T339-V343 PolarHBondContact O-N 3.16Å
340D82.7Confident75.5Confident145 Ų145105.2 Ų105.278%0.77558%0.576SS**Hα-helixtrans-55.5-35.9-177.6-61.3-31.6000112.6V343 L344D340-V343 PolarHBondContact O-N 2.88Å; D340-L344 WeakPolarHBondContact O-CB 3.39Å; D340-L344 PolarHBondContact O-N 3.4Å
341E82.4Confident77Confident133 Ų13398.8 Ų98.862%0.62156%0.564SS**Hα-helixtrans-67-40.7175.6-60-64.4170.500112.5T339 L344 C345T339-E341 PolarHBondContact O-N 3.2Å; T339-E341 VanDerWaalsContact O-N 3.16Å; E341-L344 PolarHBondContact O-N 3.13Å; E341-C345 WeakPolarHBondContact O-CB 3.21Å; E341-C345 PolarHBondContact O-N 3.06Å; E341-C345 PolarHBondContact O-SG 3.32Å
342E84.7Confident78.7Confident96 Ų9699.7 Ų99.745%0.44956%0.557SS.*Hα-helixtrans-68.4-37.2175.6-69.2167.4120.800111.2L338 T339 C345 Q346L338-E342 HydrophobicContact CD2-CB 4.06Å; T339-E342 WeakPolarHBondContact CB-OE2 3.41Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 WeakPolarHBondContact O-CB 3.42Å; T339-E342 PolarHBondContact O-N 3.05Å; T339-E342 VanDerWaalsContact OG1-CD 3.32Å; T339-E342 WeakPolarHBondContact OG1-CG 3.47Å; T339-E342 PolarHBondContact OG1-OE2 3.18Å; E342-C345 PolarHBondContact O-N 3.49Å; E342-Q346 WeakPolarHBondContact O-CB 3.43Å; E342-Q346 PolarHBondContact O-N 2.99Å
343V83.4Confident80.2Confident74 Ų7498.7 Ų98.745%0.44855%0.545SS..Hα-helixtrans-63-42.9172.7176.50000110.7L338 T339 D340 Q346 A347L338-V343 HydrophobicContact CB-CG2 3.85Å; L338-V343 HydrophobicContact CD1-CG2 4.49Å; T339-V343 WeakPolarHBondContact O-CG2 3.31Å; T339-V343 PolarHBondContact O-N 3.16Å; D340-V343 PolarHBondContact O-N 2.88Å; V343-Q346 PolarHBondContact O-N 2.91Å; V343-A347 VanDerWaalsContact O-CB 3.32Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.04Å
344L87.3Confident81.4Confident88 Ų8895.9 Ų95.946%0.46154%0.538SS..Hα-helixtrans-63.8-47.5176.7-177.161.1000111.8D340 E341 Q346 A347 Q348D340-L344 WeakPolarHBondContact O-CB 3.39Å; D340-L344 PolarHBondContact O-N 3.4Å; E341-L344 PolarHBondContact O-N 3.13Å; L344-Q346 PolarHBondContact O-N 3.42Å; L344-A347 PolarHBondContact O-N 3.27Å; L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.16Å
345C85.7Confident82.4Confident68 Ų6893.2 Ų93.246%0.45953%0.527SS..Hα-helixtrans-62.8-41.3176.5-66.50000111.9E341 E342 A347 Q348 T349E341-C345 WeakPolarHBondContact O-CB 3.21Å; E341-C345 PolarHBondContact O-N 3.06Å; E341-C345 PolarHBondContact O-SG 3.32Å; E342-C345 PolarHBondContact O-N 3.49Å; C345-A347 VanDerWaalsContact C-N 3.34Å; C345-A347 PolarHBondContact O-N 2.99Å; C345-Q348 PolarHBondContact O-N 3.37Å; C345-T349 WeakPolarHBondContact O-CB 3.49Å; C345-T349 PolarHBondContact O-N 2.92Å; C345-T349 PolarHBondContact O-OG1 3.45Å
346Q86.3Confident83Confident88 Ų8893.8 Ų93.841%0.41153%0.527SS..Hα-helixtrans-62.9-40.7176.3-17576106.300110.9E342 V343 L344 V350E342-Q346 WeakPolarHBondContact O-CB 3.43Å; E342-Q346 PolarHBondContact O-N 2.99Å; V343-Q346 PolarHBondContact O-N 2.91Å; L344-Q346 PolarHBondContact O-N 3.42Å; Q346-V350 WeakPolarHBondContact O-CB 3.49Å; Q346-V350 VanDerWaalsContact O-CG2 3.25Å; Q346-V350 WeakPolarHBondContact O-CG2 3.16Å; Q346-V350 PolarHBondContact O-N 3.31Å; Q346-V350 VanDerWaalsContact O-N 3.14Å
347A87.9Confident83.1Confident57 Ų5794.1 Ų94.147%0.47153%0.528SS..Hα-helixtrans-69-43.6176.900000112.8V343 L344 C345 V350 S351V343-A347 VanDerWaalsContact O-CB 3.32Å; V343-A347 WeakPolarHBondContact O-CB 3.24Å; V343-A347 PolarHBondContact O-N 3.04Å; L344-A347 PolarHBondContact O-N 3.27Å; C345-A347 VanDerWaalsContact C-N 3.34Å; C345-A347 PolarHBondContact O-N 2.99Å; A347-V350 PolarHBondContact O-N 2.99Å; A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 2.7Å
348Q91.6Very high82.6Confident103 Ų10390.8 Ų90.848%0.48152%0.522SS..Hα-helixtrans-60.6-50.8175.4-73.5172.1-6.700111.2L344 C345 V350 S351 E352L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.16Å; C345-Q348 PolarHBondContact O-N 3.37Å; Q348-V350 VanDerWaalsContact C-N 3.28Å; Q348-V350 PolarHBondContact O-N 3.28Å; Q348-S351 WeakPolarHBondContact O-CA 3.46Å; Q348-S351 WeakPolarHBondContact O-CB 3.5Å; Q348-S351 PolarHBondContact O-N 3.35Å; Q348-E352 PolarHBondContact O-N 2.71Å
349T87.7Confident82.2Confident68 Ų6891.7 Ų91.742%0.41754%0.535SS..Hα-helixtrans-57-40.2177.5-500000112.1C345 L353C345-T349 WeakPolarHBondContact O-CB 3.49Å; C345-T349 PolarHBondContact O-N 2.92Å; C345-T349 PolarHBondContact O-OG1 3.45Å; T349-L353 HydrophobicContact CG2-CD1 4.33Å; T349-L353 VanDerWaalsContact O-CG 3.31Å; T349-L353 WeakPolarHBondContact O-CG 3.28Å; T349-L353 PolarHBondContact O-N 3.47Å; T349-L353 VanDerWaalsContact O-N 3.1Å
350V85Confident81.3Confident86 Ų8690.6 Ų90.652%0.52153%0.531SS..Hα-helixtrans-70.2-34.4176.7168.80000111.8Q346 A347 Q348 A354Q346-V350 WeakPolarHBondContact O-CB 3.49Å; Q346-V350 VanDerWaalsContact O-CG2 3.25Å; Q346-V350 WeakPolarHBondContact O-CG2 3.16Å; Q346-V350 PolarHBondContact O-N 3.31Å; Q346-V350 VanDerWaalsContact O-N 3.14Å; A347-V350 PolarHBondContact O-N 2.99Å; Q348-V350 VanDerWaalsContact C-N 3.28Å; Q348-V350 PolarHBondContact O-N 3.28Å; V350-A354 VanDerWaalsContact O-CB 3.3Å; V350-A354 WeakPolarHBondContact O-CB 3.14Å; V350-A354 PolarHBondContact O-N 3Å
351S85.1Confident79.9Confident78 Ų7895.3 Ų95.355%0.54554%0.538SS..Hα-helixtrans-68.4-40175.3-169.80000112.3A347 Q348 A354 A355A347-S351 WeakPolarHBondContact O-CB 3.29Å; A347-S351 PolarHBondContact O-N 2.7Å; Q348-S351 WeakPolarHBondContact O-CA 3.46Å; Q348-S351 WeakPolarHBondContact O-CB 3.5Å; Q348-S351 PolarHBondContact O-N 3.35Å; S351-A354 PolarHBondContact O-N 2.73Å; S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.48Å
352E85.5Confident78.4Confident130 Ų13092.3 Ų92.361%0.60754%0.536SS*.Hα-helixtrans-64-49.5175.1-70.5176.8166.100110.9Q348 A354 A355 D356Q348-E352 PolarHBondContact O-N 2.71Å; E352-A354 PolarHBondContact O-N 2.89Å; E352-A355 WeakPolarHBondContact O-CB 3.34Å; E352-A355 PolarHBondContact O-N 3.47Å; E352-D356 PolarHBondContact O-N 3.41Å
353L82.3Confident76.6Confident100 Ų10096 Ų9652%0.52455%0.553SS.*Hα-helixtrans-60.6-31.9175.2-69.9172.3000112.9T349 L357T349-L353 HydrophobicContact CG2-CD1 4.33Å; T349-L353 VanDerWaalsContact O-CG 3.31Å; T349-L353 WeakPolarHBondContact O-CG 3.28Å; T349-L353 PolarHBondContact O-N 3.47Å; T349-L353 VanDerWaalsContact O-N 3.1Å; L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 WeakPolarHBondContact O-CD1 3.39Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.38Å; L353-L357 PolarHBondContact O-N 3.13Å
354A78.5Confident74.9Confident55 Ų55100.2 Ų100.246%0.45557%0.572SS.*Hα-helixtrans-72-37.4173.600000112.4V350 S351 E352 L357 A358V350-A354 VanDerWaalsContact O-CB 3.3Å; V350-A354 WeakPolarHBondContact O-CB 3.14Å; V350-A354 PolarHBondContact O-N 3Å; S351-A354 PolarHBondContact O-N 2.73Å; E352-A354 PolarHBondContact O-N 2.89Å; A354-L357 PolarHBondContact O-N 3.11Å; A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 2.97Å
355A83.4Confident72.8Confident52 Ų52101.5 Ų101.543%0.4358%0.583SS.*Hα-helixtrans-68.4-40.217500000112S351 E352 A358 S359S351-A355 WeakPolarHBondContact O-CB 3.44Å; S351-A355 PolarHBondContact O-N 3.48Å; E352-A355 WeakPolarHBondContact O-CB 3.34Å; E352-A355 PolarHBondContact O-N 3.47Å; A355-A358 PolarHBondContact O-N 2.95Å; A355-S359 VanDerWaalsContact O-CB 3.29Å; A355-S359 WeakPolarHBondContact O-CB 3.4Å; A355-S359 PolarHBondContact O-N 3.24Å; A355-S359 PolarHBondContact O-OG 3.24Å
356D78.4Confident70.8Confident111 Ų111103.1 Ų103.159%0.59460%0.595SS**Hα-helixtrans-61.9-46.1172.1-85.1-11.1000111.4E352 A358 S359 S360E352-D356 PolarHBondContact O-N 3.41Å; D356-A358 VanDerWaalsContact C-N 3.33Å; D356-A358 PolarHBondContact O-N 3.2Å; D356-S359 PolarHBondContact O-N 3.04Å; D356-S360 WeakPolarHBondContact O-CB 3.28Å; D356-S360 PolarHBondContact O-N 2.88Å
357L71.8Confident68.9Low128 Ų128103.4 Ų103.467%0.6760%0.604SS**Hα-helixtrans-64.6-35.8177.1-76.8169.7000112.6L353 A354 S360L353-L357 WeakPolarHBondContact O-CB 3.47Å; L353-L357 WeakPolarHBondContact O-CD1 3.39Å; L353-L357 VanDerWaalsContact O-CG 3.24Å; L353-L357 WeakPolarHBondContact O-CG 3.38Å; L353-L357 PolarHBondContact O-N 3.13Å; A354-L357 PolarHBondContact O-N 3.11Å; L357-S360 VanDerWaalsContact O-O 3.1Å; L357-S360 PolarHBondContact O-OG 2.98Å
358A66Low66.9Low87 Ų87110 Ų11072%0.71962%0.622SS**Hα-helixtrans-73.1-31.9174.900000113.1A354 A355 D356A354-A358 WeakPolarHBondContact O-CB 3.4Å; A354-A358 PolarHBondContact O-N 2.97Å; A355-A358 PolarHBondContact O-N 2.95Å; D356-A358 VanDerWaalsContact C-N 3.33Å; D356-A358 PolarHBondContact O-N 3.2Å
359S69.5Low64.9Low100 Ų100113 Ų11370%0.69964%0.641SS**Hα-helixtrans-76.2-30.7174.6-57.60000111.7A355 D356 R361A355-S359 VanDerWaalsContact O-CB 3.29Å; A355-S359 WeakPolarHBondContact O-CB 3.4Å; A355-S359 PolarHBondContact O-N 3.24Å; A355-S359 PolarHBondContact O-OG 3.24Å; D356-S359 PolarHBondContact O-N 3.04Å; S359-R361 PolarHBondContact O-N 3.16Å
360S62.3Low63.1Low55 Ų55114.6 Ų114.639%0.38565%0.65SS.*SBendtrans-64.6115168.487.70000108.8D356 L357 A362D356-S360 WeakPolarHBondContact O-CB 3.28Å; D356-S360 PolarHBondContact O-N 2.88Å; L357-S360 VanDerWaalsContact O-O 3.1Å; L357-S360 PolarHBondContact O-OG 2.98Å; S360-A362 PolarHBondContact O-N 2.99Å
361R52.2Low61.5Low245 Ų245116.5 Ų116.593%0.92566%0.664SS**  trans-76.545.6-178-163.7176.8171171.6-2.5112.3S359 E363S359-R361 PolarHBondContact O-N 3.16Å; R361-E363 PolarHBondContact O-N 2.92Å
362A50.9Low59.8Low70 Ų70118.7 Ų118.758%0.57967%0.67SS**  trans-70.2119.3167.400000108.2S360 L364S360-A362 PolarHBondContact O-N 2.99Å; A362-L364 PolarHBondContact O-N 3.14Å
363E47.6Very low58Low173 Ų173124.6 Ų124.681%0.80869%0.687SS**  trans-61.5105.8179.6-64.5-173.1152.800109.9R361 T365R361-E363 PolarHBondContact O-N 2.92Å; E363-T365 PolarHBondContact O-N 3.08Å; E363-T365 PolarHBondContact O-OG1 3.13Å
364L47.7Very low56.3Low163 Ų163130.5 Ų130.585%0.85370%0.702SS**  trans-64.378.6169.8-74.4175.6000108.8A362 C366A362-L364 PolarHBondContact O-N 3.14Å; L364-C366 VanDerWaalsContact C-N 3.27Å; L364-C366 PolarHBondContact O-N 3.4Å
365T42.7Very low54.8Low114 Ų114134.6 Ų134.670%0.69972%0.722SS**  trans-68.188.6-178.5-60.20000107.4E363 P367E363-T365 PolarHBondContact O-N 3.08Å; E363-T365 PolarHBondContact O-OG1 3.13Å; T365-P367 WeakPolarHBondContact O-CD 3.49Å
366C45.4Very low53Low103 Ų103136.6 Ų136.670%0.69673%0.728SS**  trans-48118.6176.7-60.80000108L364 K368L364-C366 VanDerWaalsContact C-N 3.27Å; L364-C366 PolarHBondContact O-N 3.4Å; C366-K368 VanDerWaalsContact C-N 3.3Å; C366-K368 PolarHBondContact O-N 3.29Å
367P46.4Very low51.7Low94 Ų94137.9 Ų137.961%0.6173%0.734SS**  trans-68.493.4-174.326.1-33.4000108.5T365 L369 M379T365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-L369 PolarHBondContact O-N 2.9Å; P367-M379 HydrophobicContact CG-SD 3.97Å
368K45.8Very low50.6Low194 Ų194140.3 Ų140.384%0.84374%0.74SS**  trans-46.6127.2-178.8-69.5178.8177.9175.90108.4C366 V370C366-K368 VanDerWaalsContact C-N 3.3Å; C366-K368 PolarHBondContact O-N 3.29Å; K368-V370 PolarHBondContact O-N 3.35Å
369L48Very low49.8Very low168 Ų168143 Ų14388%0.8874%0.739SS**  trans-52.1115177.6-94.769.4000108.5P367P367-L369 PolarHBondContact O-N 2.9Å
370V51.5Low48.7Very low101 Ų101144.6 Ų144.661%0.61274%0.739SS**  trans-60.7128.3173.2-176.10000106.5K368 N372K368-V370 PolarHBondContact O-N 3.35Å; V370-N372 HydrophobicContact CG1-CB 4.17Å; V370-N372 CarbonylContact O-C 3.45Å; V370-N372 PolarHBondContact O-N 3.4Å; V370-N372 VanDerWaalsContact O-O 3.08Å
371P50.5Low48.2Very low125 Ų125146.4 Ų146.481%0.81275%0.748SS**SBendtrans-62.2-17.8-173.721.6-32.8000113.4R373P371-R373 PolarHBondContact O-N 3.12Å
372N49.2Very low47.9Very low125 Ų125140.2 Ų140.267%0.66874%0.74SS**SBendtrans-71.1110.8164.1-67-36.3000110.2V370 R374V370-N372 HydrophobicContact CG1-CB 4.17Å; V370-N372 CarbonylContact O-C 3.45Å; V370-N372 PolarHBondContact O-N 3.4Å; V370-N372 VanDerWaalsContact O-O 3.08Å; N372-R374 PolarHBondContact O-N 3.29Å
373R48Very low47.9Very low254 Ų254143.8 Ų143.896%0.95875%0.749SS**  trans-60.359.5-174-58.1-179.2179.8-173.2-1.3115.8P371P371-R373 PolarHBondContact O-N 3.12Å
374R46.1Very low48.1Very low223 Ų223142.7 Ų142.784%0.84274%0.742SS**  trans-12296.8175.3-95.5-178.1162.2162.3-4.5110.3N372 T376N372-R374 PolarHBondContact O-N 3.29Å; R374-T376 PolarHBondContact O-N 2.85Å
375T48Very low48.3Very low142 Ų142141 Ų14187%0.87173%0.732SS**  trans-69.875.2168.639.30000110.7L377T375-L377 PolarHBondContact O-N 2.83Å
376T45.9Very low48.8Very low93 Ų93142.5 Ų142.557%0.57173%0.726SS**  trans-63.3135.5172.560.10000109.9R374 K378R374-T376 PolarHBondContact O-N 2.85Å; T376-K378 PolarHBondContact O-N 3.33Å
377L49.7Very low48.8Very low138 Ų138147.1 Ų147.172%0.72373%0.729SS**G310 helixtrans-61.86.8-171.9-107.3113000117.1T375 M379 L380T375-L377 PolarHBondContact O-N 2.83Å; L377-M379 PolarHBondContact O-N 3.03Å; L377-L380 HydrophobicContact CD2-CD1 3.84Å; L377-L380 HydrophobicContact CG-CD1 4.42Å; L377-L380 PolarHBondContact O-N 3.29Å; L377-L380 VanDerWaalsContact O-N 3.15Å
378K50.2Low48.9Very low179 Ų179152.8 Ų152.878%0.77874%0.738SS**G310 helixtrans-53.8-18.9174.3-85.4-174.7168.4-1760114.9T376 L380T376-K378 PolarHBondContact O-N 3.33Å; K378-L380 VanDerWaalsContact C-N 3.29Å; K378-L380 PolarHBondContact O-N 3.39Å
379M47.2Very low48.9Very low144 Ų144149.9 Ų149.971%0.70973%0.731SS**G310 helixtrans-73.1-15.3178.5-65-58.4-62.700114.3P367 L377P367-M379 HydrophobicContact CG-SD 3.97Å; L377-M379 PolarHBondContact O-N 3.03Å
380L48.4Very low48.8Very low133 Ų133147.7 Ų147.770%0.69672%0.721SS**G310 helixtrans-105.52.1-171.9-77.3164.4000114.6L377 K378L377-L380 HydrophobicContact CD2-CD1 3.84Å; L377-L380 HydrophobicContact CG-CD1 4.42Å; L377-L380 PolarHBondContact O-N 3.29Å; L377-L380 VanDerWaalsContact O-N 3.15Å; K378-L380 VanDerWaalsContact C-N 3.29Å; K378-L380 PolarHBondContact O-N 3.39Å
381T51.9Low48.2Very low93 Ų93150.2 Ų150.257%0.57173%0.731SS**  trans-136.366.4-179.7390000113.5N383T381-N383 PolarHBondContact O-N 3.01Å
382P45.1Very low47.7Very low116 Ų116152.6 Ų152.675%0.75374%0.735SS**  trans-7561.5164.135.8-35.7000110.7
383N51.5Low46.8Very low145 Ų145150.1 Ų150.178%0.77574%0.739SS**SBendtrans-167.6138.8157.9-102.4-32.5000111.9T381 I385T381-N383 PolarHBondContact O-N 3.01Å; N383-I385 PolarHBondContact O-N 3.18Å
384K51.5Low46.2Very low150 Ų150143.9 Ų143.965%0.65273%0.734SS**  trans-85.8105.8175.3-63.7169-171.2163.30108.1Y386K384-Y386 HydrophobicContact CB-CD2 4.24Å; K384-Y386 HydrophobicContact CB-CE2 3.65Å; K384-Y386 HydrophobicContact CD-CE2 4.32Å; K384-Y386 WeakPolarHBondContact CD-OH 3.44Å; K384-Y386 WeakPolarHBondContact O-CD2 2.77Å; K384-Y386 PolarHBondContact O-N 2.92Å
385I52.3Low45.4Very low126 Ų126139.1 Ų139.165%0.64674%0.735SS**  trans-73.4102175.8-54.3177.6000108.5N383N383-I385 PolarHBondContact O-N 3.18Å
386Y52.5Low44.6Very low147 Ų147135.3 Ų135.358%0.57672%0.724SS**  trans-82.1142.7169.1-64.8-84.7000109.5K384K384-Y386 HydrophobicContact CB-CD2 4.24Å; K384-Y386 HydrophobicContact CB-CE2 3.65Å; K384-Y386 HydrophobicContact CD-CE2 4.32Å; K384-Y386 WeakPolarHBondContact CD-OH 3.44Å; K384-Y386 WeakPolarHBondContact O-CD2 2.77Å; K384-Y386 PolarHBondContact O-N 2.92Å
387R46.1Very low44.2Very low200 Ų200135.1 Ų135.176%0.75573%0.726SS**  trans-66.2149.6169.1-70.6-172.4-179.2178.1-1.2110.3
388R47Very low43.4Very low212 Ų212133.7 Ų133.780%0.874%0.735SS**SBendtrans-92.8-4.4-170.7-139.3172.1-168.4158.32.4113.6
389D47.2Very low43.1Very low133 Ų133133.4 Ų133.471%0.71173%0.733SS**  trans-108.7-3-155.1-41.6-67.1000115.4N391D389-N391 PolarHBondContact O-N 2.99Å
390D45.6Very low43.1Very low122 Ų122134.5 Ų134.565%0.65274%0.742SS**  trans-100.468.5-179.3-67.1-46.2000111.6
391N38Very low43Very low154 Ų154135.4 Ų135.482%0.82474%0.74SS**  trans-150.840.4178.7-120.76000115.3D389D389-N391 PolarHBondContact O-N 2.99Å
392I40.2Very low43.1Very low175 Ų175141.9 Ų141.990%0.89775%0.754SS**SBendtrans-121.2101.6166.9-59.3179000110.2
393G31.3Very low43.6Very low74 Ų74141.2 Ų141.276%0.76375%0.749SS**  trans81.8157.6156.600000118.7
394S34.1Very low44Very low122 Ų122137.3 Ų137.385%0.85373%0.731SS**  trans59.799.3162.4-141.30000119.8
395S30.7Very low44.8Very low124 Ų124135.3 Ų135.387%0.86773%0.727SS**  11.6117.9128.5-170.20000118.2
396G30.3Very low45.2Very low61 Ų61134.6 Ų134.663%0.62972%0.723SS**  trans140.1121.5153.500000117
397S36.6Very low45.7Very low89 Ų89130.9 Ų130.962%0.62272%0.719SS**  trans63.7113.4170.574.80000117K399S397-K399 VanDerWaalsContact C-N 3.33Å; S397-K399 PolarHBondContact O-N 2.95Å
398A34.5Very low46.8Very low109 Ų109126.3 Ų126.390%0.90171%0.71SS**  trans-73.478.6175.300000112.2L400A398-L400 PolarHBondContact O-N 3.18Å
399K43.8Very low47.9Very low172 Ų172121.5 Ų121.575%0.74870%0.699SS**  trans-74.4109.3172.5-71.6173.2-176.3167.10109.8S397 K401S397-K399 VanDerWaalsContact C-N 3.33Å; S397-K399 PolarHBondContact O-N 2.95Å; K399-K401 PolarHBondContact O-N 2.98Å; K399-K401 VanDerWaalsContact O-N 3.09Å
400L46.2Very low48.8Very low168 Ų168119.6 Ų119.688%0.8869%0.692SS**  trans-51.4111.6-177.8-69.7164000112.1A398 R402A398-L400 PolarHBondContact O-N 3.18Å; L400-R402 PolarHBondContact O-N 3.48Å
401K46.9Very low49.9Very low152 Ų152115.7 Ų115.766%0.66168%0.68SS**  trans-62.7103.2178-65-172177.1-170.20109.8K399K399-K401 PolarHBondContact O-N 2.98Å; K399-K401 VanDerWaalsContact O-N 3.09Å
402R54.2Low51.2Low228 Ų228117.2 Ų117.286%0.8668%0.683SS**PPolyproline II helixtrans-69.5136.4177.3-67.6-175-179.1-178.70.7110.1L400L400-R402 PolarHBondContact O-N 3.48Å
403P54.6Low52.2Low102 Ų102116 Ų11666%0.66268%0.677SS**PPolyproline II helixtrans-68.2135.3171.829.6-33.6000109.9
404V60.5Low53.9Low63 Ų63122.8 Ų122.838%0.38269%0.686SS.*PPolyproline II helixtrans-94131.6171.9-1780000108D408 I409V404-D408 HydrophobicContact CG1-CB 3.93Å; V404-I409 HydrophobicContact CG1-CD1 4.13Å; V404-I409 HydrophobicContact CG1-CG1 3.82Å
405L68.1Low55.2Low109 Ų109124.6 Ų124.657%0.57168%0.68SS**PPolyproline II helixtrans-88.5154.2175.9-61.9172.5000110.4S407 D408L405-S407 WeakPolarHBondContact CB-OG 2.94Å; L405-S407 PolarHBondContact O-N 3.41Å; L405-S407 VanDerWaalsContact O-N 3.16Å; L405-D408 WeakPolarHBondContact CB-OD2 3.3Å; L405-D408 PolarHBondContact N-OD2 3.02Å; L405-D408 VanDerWaalsContact O-CB 3.31Å; L405-D408 WeakPolarHBondContact O-CB 3.42Å; L405-D408 PolarHBondContact O-N 2.66Å
406L61.6Low56.5Low110 Ų110121.7 Ų121.758%0.57667%0.67SS**Hα-helixtrans-60.2-27.2175.8-17065.3000112.2D408 I409 V410L406-D408 PolarHBondContact O-N 2.84Å; L406-I409 PolarHBondContact O-N 2.92Å; L406-V410 HydrophobicContact CD1-CG2 3.77Å; L406-V410 HydrophobicContact CG-CG2 3.94Å; L406-V410 WeakPolarHBondContact O-CB 3.46Å; L406-V410 WeakPolarHBondContact O-CG2 3.32Å; L406-V410 PolarHBondContact O-N 2.85Å
407S63Low57.7Low70 Ų70125.4 Ų125.449%0.4968%0.676SS.*Hα-helixtrans-57.9-30.3170.247.30000113.8L405 G411L405-S407 WeakPolarHBondContact CB-OG 2.94Å; L405-S407 PolarHBondContact O-N 3.41Å; L405-S407 VanDerWaalsContact O-N 3.16Å; S407-G411 VanDerWaalsContact O-CA 3.22Å; S407-G411 WeakPolarHBondContact O-CA 3.44Å; S407-G411 PolarHBondContact O-N 3.23Å
408D68Low58.3Low103 Ų103126.9 Ų126.955%0.55168%0.683SS**Hα-helixtrans-88.1-18.7-172.7-41.5-18.1000110.5V404 L405 L406V404-D408 HydrophobicContact CG1-CB 3.93Å; L405-D408 WeakPolarHBondContact CB-OD2 3.3Å; L405-D408 PolarHBondContact N-OD2 3.02Å; L405-D408 VanDerWaalsContact O-CB 3.31Å; L405-D408 WeakPolarHBondContact O-CB 3.42Å; L405-D408 PolarHBondContact O-N 2.66Å; L406-D408 PolarHBondContact O-N 2.84Å
409I70.4Confident59.1Low111 Ų111124.6 Ų124.657%0.56967%0.67SS**Hα-helixtrans-93.9-46.9177.4-56.2174000110.5V404 L406V404-I409 HydrophobicContact CG1-CD1 4.13Å; V404-I409 HydrophobicContact CG1-CG1 3.82Å; L406-I409 PolarHBondContact O-N 2.92Å
410V66.9Low59.4Low94 Ų94123.5 Ų123.557%0.5767%0.672SS**Hα-helixtrans-90.3-22.1-174.1-178.30000112.3L406L406-V410 HydrophobicContact CD1-CG2 3.77Å; L406-V410 HydrophobicContact CG-CG2 3.94Å; L406-V410 WeakPolarHBondContact O-CB 3.46Å; L406-V410 WeakPolarHBondContact O-CG2 3.32Å; L406-V410 PolarHBondContact O-N 2.85Å
411G67.4Low59.4Low40 Ų40123.9 Ų123.941%0.41267%0.674SS.*  trans71.7-179.5-173.800000113.4S407S407-G411 VanDerWaalsContact O-CA 3.22Å; S407-G411 WeakPolarHBondContact O-CA 3.44Å; S407-G411 PolarHBondContact O-N 3.23Å
412Q66.5Low59.3Low186 Ų186120.5 Ų120.587%0.86967%0.674SS**  trans-81.9123.2173.8-64.7-176.912.500110.3K414Q412-K414 PolarHBondContact O-N 2.91Å; Q412-K414 VanDerWaalsContact O-N 3.08Å
413L61.4Low58.7Low150 Ų150115.4 Ų115.479%0.78567%0.673SS**  trans-62.1108.4173.4-74.6167.3000110.2E415L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 PolarHBondContact O-N 3.43Å
414K65.7Low58Low216 Ų216114.1 Ų114.194%0.93967%0.666SS**SBendtrans-74.5-13.5-179.6-64-175179.2179.80113.9Q412Q412-K414 PolarHBondContact O-N 2.91Å; Q412-K414 VanDerWaalsContact O-N 3.08Å
415E62.9Low57.4Low159 Ų159116 Ų11674%0.74369%0.688SS**SBendtrans-148.3130.4-179.5-170.6174.6-131.500108.4L413L413-E415 VanDerWaalsContact C-N 3.25Å; L413-E415 PolarHBondContact O-N 3.43Å
416G56.4Low56.4Low64 Ų64117.7 Ų117.766%0.6669%0.693SS**  trans-115.6136-169.400000113.5
417N55.4Low55.6Low139 Ų139118 Ų11874%0.74370%0.702SS**  trans-72.3124.9167.1-178.68.3000109G419N417-G419 PolarHBondContact O-N 2.84Å
418P50.1Low54.8Low119 Ų119123.7 Ų123.777%0.77371%0.713SS**THydrogen-bonded Turntrans-65.8-0.3-174.925.2-35.8000116L420P418-L420 PolarHBondContact O-N 3.41Å
419G51.8Low53.9Low61 Ų61127.5 Ų127.563%0.62972%0.724SS**THydrogen-bonded Turntrans-78.3-4.1-177.300000117.4N417N417-G419 PolarHBondContact O-N 2.84Å
420L50.3Low53Low150 Ų150130.4 Ų130.479%0.78574%0.735SS**SBendtrans-125106.6172.1-90.891.1000112.1P418 A422P418-L420 PolarHBondContact O-N 3.41Å; L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.24Å
421L46.1Very low52.6Low176 Ų176131.7 Ų131.792%0.92174%0.738SS**  trans37.945.3153.8-61.5177.9000117S423L421-S423 PolarHBondContact O-N 3.16Å
422A43.7Very low51.9Low81 Ų81133.7 Ų133.767%0.66974%0.743SS**  trans-66.2106.3162.200000108.3L420 C424L420-A422 VanDerWaalsContact C-N 3.28Å; L420-A422 PolarHBondContact O-N 3.24Å; A422-C424 PolarHBondContact O-N 3.39Å
423S41.1Very low51.3Low120 Ų120126.3 Ų126.384%0.83971%0.711SS**  trans-70.372.6178.663.70000111L421 A425L421-S423 PolarHBondContact O-N 3.16Å; S423-A425 PolarHBondContact O-N 3.19Å
424C40.8Very low51.2Low75 Ų75123.2 Ų123.251%0.50770%0.699SS.*  trans-65.8112.2175-165.40000107.8A422 E426A422-C424 PolarHBondContact O-N 3.39Å; C424-E426 PolarHBondContact O-N 2.85Å
425A48.1Very low50.9Low103 Ų103117.8 Ų117.885%0.85167%0.673SS**SBendtrans-7217-172.200000114.4S423S423-A425 PolarHBondContact O-N 3.19Å
426E46.8Very low50.6Low144 Ų144115.1 Ų115.167%0.67366%0.663SS**SBendtrans-114.4113.2-172.1-150.776.2-124.800108.8C424 R428C424-E426 PolarHBondContact O-N 2.85Å; E426-R428 VanDerWaalsContact C-N 3.31Å; E426-R428 PolarHBondContact O-N 2.95Å
427P44.9Very low50.7Low117 Ų117119.8 Ų119.876%0.7667%0.673SS**  trans-73.185.3-176.829.7-34.7000110.6K429P427-K429 PolarHBondContact O-N 2.93Å
428R46.6Very low50.4Low190 Ų190119.8 Ų119.872%0.71766%0.664SS**  trans-60.1128.1164.5-65.8-177.4-175145.16.5107.4E426 E430E426-R428 VanDerWaalsContact C-N 3.31Å; E426-R428 PolarHBondContact O-N 2.95Å; R428-E430 PolarHBondContact O-N 3.46Å
429K48.6Very low50.8Low182 Ų182116.5 Ų116.579%0.79165%0.652SS**  trans-7493.9178.4-66.9-178.8179.3-179.10108.7P427 I431P427-K429 PolarHBondContact O-N 2.93Å; K429-I431 HydrophobicContact CB-CD1 4.32Å; K429-I431 HydrophobicContact CB-CG1 4.18Å; K429-I431 PolarHBondContact O-N 3.06Å
430E51.4Low50.9Low172 Ų172120.3 Ų120.380%0.80467%0.665SS**  trans-63.897165.7-73.6157.1-157.200107.8R428R428-E430 PolarHBondContact O-N 3.46Å
431I57.8Low51.1Low121 Ų121121.3 Ų121.362%0.62167%0.671SS**  trans-104.1108.3175.6-61.6170.7000105.8K429 V433K429-I431 HydrophobicContact CB-CD1 4.32Å; K429-I431 HydrophobicContact CB-CG1 4.18Å; K429-I431 PolarHBondContact O-N 3.06Å; I431-V433 PolarHBondContact O-N 2.79Å
432P53.2Low51.5Low82 Ų82116 Ų11653%0.53265%0.648SS.*  trans-61.6135175.925.8-33.2000109.4T434P432-T434 PolarHBondContact O-N 2.82Å
433V53.4Low51.8Low32 Ų32116.9 Ų116.919%0.19465%0.649CS.*  trans-91.681.5-178.9-1730000108.6I431 Y435 K457I431-V433 PolarHBondContact O-N 2.79Å; V433-Y435 HydrophobicContact CB-CE2 4.34Å; V433-Y435 HydrophobicContact CG1-CD2 4.23Å; V433-Y435 HydrophobicContact CG1-CE1 4.29Å; V433-Y435 HydrophobicContact CG1-CE2 3.62Å; V433-Y435 WeakPolarHBondContact O-CD2 3.45Å; V433-Y435 PolarHBondContact O-N 2.95Å; V433-K457 HydrophobicContact CG1-CD 4.05Å; V433-K457 HydrophobicContact CG2-CD 4.41Å
434T61Low52.5Low85 Ų85120.2 Ų120.252%0.52165%0.649SS.*  trans-75114.8170.134.80000110.2P432 L436P432-T434 PolarHBondContact O-N 2.82Å; T434-L436 VanDerWaalsContact C-N 3.31Å
435Y58.1Low53.2Low101 Ų101118.4 Ų118.440%0.39664%0.64SS.*SBendtrans-81.6-10.9173.8-70.7-84.2000113.2V433 D461V433-Y435 HydrophobicContact CB-CE2 4.34Å; V433-Y435 HydrophobicContact CG1-CD2 4.23Å; V433-Y435 HydrophobicContact CG1-CE1 4.29Å; V433-Y435 HydrophobicContact CG1-CE2 3.62Å; V433-Y435 WeakPolarHBondContact O-CD2 3.45Å; V433-Y435 PolarHBondContact O-N 2.95Å; Y435-D461 VanDerWaalsContact CE1-OD1 3.23Å; Y435-D461 WeakPolarHBondContact CE1-OD1 3.31Å; Y435-D461 PolarHBondContact OH-OD1 3.28Å
436L57.9Low53.6Low103 Ų103119.9 Ų119.954%0.53964%0.64SS.*SBendtrans-118.2111.4178.8-65.5168.1000108.9T434 Y438T434-L436 VanDerWaalsContact C-N 3.31Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 HydrophobicContact CB-CD2 3.9Å; L436-Y438 HydrophobicContact CB-CE2 3.52Å; L436-Y438 HydrophobicContact CD1-CE2 3.86Å; L436-Y438 HydrophobicContact CG-CE2 4.2Å; L436-Y438 PolarHBondContact O-N 2.66Å; L436-Y438 VanDerWaalsContact O-N 3.11Å
437N56.6Low54.1Low163 Ų163116.9 Ų116.987%0.87264%0.635SS**  trans-89.259.6-173.5-164.244.4000111.5
438Y51Low54.2Low138 Ų138115.9 Ų115.954%0.54162%0.617SS.*  trans-69.6143.6173.8-60.4-63.2000110.8L436 S442 A445L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 HydrophobicContact CB-CD2 3.9Å; L436-Y438 HydrophobicContact CB-CE2 3.52Å; L436-Y438 HydrophobicContact CD1-CE2 3.86Å; L436-Y438 HydrophobicContact CG-CE2 4.2Å; L436-Y438 PolarHBondContact O-N 2.66Å; L436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-S442 VanDerWaalsContact CB-CB 3.47Å; Y438-A445 HydrophobicContact CD2-CB 3.88Å; Y438-A445 HydrophobicContact CE2-CB 4.08Å
439G58.1Low54.8Low51 Ų51111.4 Ų111.453%0.52661%0.607SS.*  trans-66.7177.6-175.200000115L441 S442G439-L441 PolarHBondContact O-N 2.93Å; G439-S442 PolarHBondContact O-N 3.21Å
440P53.9Low55.3Low140 Ų140105.9 Ų105.991%0.90959%0.592SS**THydrogen-bonded Turntrans-61.13.8-162.8-26.736.1000118.9
441L53.1Low55.6Low172 Ų172102.1 Ų102.190%0.90158%0.581SS**THydrogen-bonded Turntrans-126.87-175-62.2173.8000113.7G439 S443G439-L441 PolarHBondContact O-N 2.93Å; L441-S443 PolarHBondContact O-N 3.19Å
442S54.7Low55.4Low64 Ų64107.2 Ų107.245%0.44859%0.592SS.*  trans-91.797.4-177.5-170.60000112.8Y438 G439Y438-S442 VanDerWaalsContact CB-CB 3.47Å; G439-S442 PolarHBondContact O-N 3.21Å
443S49.9Very low55.8Low99 Ų99105 Ų10569%0.69258%0.58SS**  trans-91.46.2-172.851.20000116.1L441L441-S443 PolarHBondContact O-N 3.19Å
444F56.1Low56.4Low191 Ų191110.4 Ų110.484%0.83861%0.614SS**  trans-118.76.3-169.1-73.1-79.6000116.1
445A56.1Low56.6Low37 Ų37110 Ų11031%0.30661%0.608SS.*SBendtrans-83.4127.317800000112Y438 S447Y438-A445 HydrophobicContact CD2-CB 3.88Å; Y438-A445 HydrophobicContact CE2-CB 4.08Å; A445-S447 PolarHBondContact O-N 3.14Å
446P56.4Low57.2Low134 Ų134108.4 Ų108.487%0.8761%0.61SS**  trans-62.8108.7172.6-2334.5000111.5
447S56.7Low57.7Low81 Ų81108.9 Ų108.957%0.56661%0.608SS**  trans-77.6127.9175.941.70000110.6A445 D449A445-S447 PolarHBondContact O-N 3.14Å; S447-D449 PolarHBondContact O-N 2.89Å; S447-D449 VanDerWaalsContact O-N 3.12Å
448Y48.5Very low58.4Low96 Ų96111.3 Ų111.338%0.37661%0.605SS.*  trans-75.4103.2-179.7-172.5-93000110.6S450 A453Y448-S450 PolarHBondContact O-N 2.99Å; Y448-A453 HydrophobicContact CE1-CB 4.12Å; Y448-A453 WeakPolarHBondContact OH-CB 3.24Å
449D58.5Low59.4Low96 Ų96109.4 Ų109.451%0.51360%0.601SS.*  trans-74.2117.7172.2-174.90.1000110.4S447 T451S447-D449 PolarHBondContact O-N 2.89Å; S447-D449 VanDerWaalsContact O-N 3.12Å; D449-T451 WeakPolarHBondContact OD1-CB 3.34Å; D449-T451 VanDerWaalsContact OD1-CG2 3.28Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.49Å; D449-T451 PolarHBondContact OD1-N 3.33Å; D449-T451 PolarHBondContact OD1-OG1 2.88Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å
450S59.9Low60.2Low66 Ų66107.8 Ų107.846%0.46258%0.581SS.*G310 helixtrans-84.1-6.718058.40000114.1Y448 W452 A453Y448-S450 PolarHBondContact O-N 2.99Å; S450-W452 PolarHBondContact O-N 3.19Å; S450-A453 PolarHBondContact O-N 3.49Å
451T56Low60.9Low93 Ų93103.9 Ų103.957%0.57155%0.552SS**G310 helixtrans-64.8-22.4-177.360.30000113.9D449D449-T451 WeakPolarHBondContact OD1-CB 3.34Å; D449-T451 VanDerWaalsContact OD1-CG2 3.28Å; D449-T451 WeakPolarHBondContact OD1-CG2 3.49Å; D449-T451 PolarHBondContact OD1-N 3.33Å; D449-T451 PolarHBondContact OD1-OG1 2.88Å; D449-T451 PolarHBondContact OD2-OG1 2.89Å
452W54.6Low61.9Low228 Ų228101.6 Ų101.686%0.86454%0.535SS*.G310 helixtrans-107.42.3177.7-6284.5000114S450S450-W452 PolarHBondContact O-N 3.19Å
453A61.8Low62.9Low34 Ų34103 Ų10328%0.28154%0.537SS..  trans-84.9118.7-175.100000112.3Y448 S450 L455Y448-A453 HydrophobicContact CE1-CB 4.12Å; Y448-A453 WeakPolarHBondContact OH-CB 3.24Å; S450-A453 PolarHBondContact O-N 3.49Å; A453-L455 VanDerWaalsContact C-N 3.27Å; A453-L455 PolarHBondContact O-N 3.4Å
454T66Low63.9Low147 Ų147100.6 Ų100.690%0.90252%0.52SS*.SBendtrans-78.2-6.8172.736.70000114.2
455L64.8Low64.6Low76 Ų7693.2 Ų93.240%0.39849%0.492SS..SBendtrans-104.8131.9179.4-67.3169.2000110.8A453 E459 I463A453-L455 VanDerWaalsContact C-N 3.27Å; A453-L455 PolarHBondContact O-N 3.4Å; L455-E459 HydrophobicContact CD2-CB 4.41Å; L455-E459 WeakPolarHBondContact CD2-OE2 3.48Å; L455-I463 HydrophobicContact CD1-CD1 3.87Å
456P71.6Confident65.5Low68 Ų6894.2 Ų94.244%0.44249%0.492SS..  trans-72.3148.617432-35.2000110.6R458 E459 T460P456-R458 PolarHBondContact O-N 2.91Å; P456-E459 WeakPolarHBondContact CD-OE2 3.11Å; P456-E459 HydrophobicContact CG-CB 4.33Å; P456-E459 VanDerWaalsContact CG-CD 3.46Å; P456-E459 HydrophobicContact CG-CG 4.03Å; P456-E459 WeakPolarHBondContact CG-OE1 3.43Å; P456-E459 WeakPolarHBondContact O-CB 3.38Å; P456-E459 PolarHBondContact O-N 3.1Å; P456-T460 PolarHBondContact O-N 3.42Å; P456-T460 PolarHBondContact O-OG1 3.33Å
457K68.1Low66.1Low113 Ų11390.8 Ų90.849%0.49147%0.471SS..Hα-helixtrans-42.3-43.1-172.9176.7170.9178.6173.30115.2V433 E459 T460 D461V433-K457 HydrophobicContact CG1-CD 4.05Å; V433-K457 HydrophobicContact CG2-CD 4.41Å; K457-E459 VanDerWaalsContact C-N 3.26Å; K457-E459 PolarHBondContact O-N 3.21Å; K457-T460 CarbonylContact O-C 3.54Å; K457-T460 WeakPolarHBondContact O-CB 3.47Å; K457-T460 PolarHBondContact O-N 3.13Å; K457-T460 VanDerWaalsContact O-N 3.14Å; K457-T460 PolarHBondContact O-OG1 2.86Å; K457-D461 WeakPolarHBondContact CE-OD1 3.39Å; K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 WeakPolarHBondContact CG-OD1 3.38Å; K457-D461 WeakPolarHBondContact CG-OD2 3.31Å; K457-D461 WeakPolarHBondContact O-CB 3.25Å; K457-D461 PolarHBondContact O-N 2.87Å
458R71.4Confident66.8Low213 Ų21393.2 Ų93.280%0.80447%0.474SS*.Hα-helixtrans-60.6-32.9-179.1-58.4-175.1-163.5151.63.6113.6P456 F462P456-R458 PolarHBondContact O-N 2.91Å; R458-F462 VanDerWaalsContact O-CB 3.29Å; R458-F462 WeakPolarHBondContact O-CB 3.26Å; R458-F462 PolarHBondContact O-N 3.19Å
459E71.3Confident67.9Low98 Ų9893.7 Ų93.746%0.45848%0.478SS..Hα-helixtrans-78.3-35.2178.4-69.1167.7-142.600110.1L455 P456 K457 F462 I463L455-E459 HydrophobicContact CD2-CB 4.41Å; L455-E459 WeakPolarHBondContact CD2-OE2 3.48Å; P456-E459 WeakPolarHBondContact CD-OE2 3.11Å; P456-E459 HydrophobicContact CG-CB 4.33Å; P456-E459 VanDerWaalsContact CG-CD 3.46Å; P456-E459 HydrophobicContact CG-CG 4.03Å; P456-E459 WeakPolarHBondContact CG-OE1 3.43Å; P456-E459 WeakPolarHBondContact O-CB 3.38Å; P456-E459 PolarHBondContact O-N 3.1Å; K457-E459 VanDerWaalsContact C-N 3.26Å; K457-E459 PolarHBondContact O-N 3.21Å; E459-F462 PolarHBondContact O-N 2.91Å; E459-I463 WeakPolarHBondContact O-CB 3.4Å; E459-I463 WeakPolarHBondContact O-CD1 3.46Å; E459-I463 WeakPolarHBondContact O-CG1 3.16Å; E459-I463 PolarHBondContact O-N 3.49Å
460T74.8Confident68.4Low18 Ų1894.6 Ų94.611%0.1148%0.482CS..Hα-helixtrans-62.3-49.9169-25.90000111.5P456 K457 F462 I463 C464P456-T460 PolarHBondContact O-N 3.42Å; P456-T460 PolarHBondContact O-OG1 3.33Å; K457-T460 CarbonylContact O-C 3.54Å; K457-T460 WeakPolarHBondContact O-CB 3.47Å; K457-T460 PolarHBondContact O-N 3.13Å; K457-T460 VanDerWaalsContact O-N 3.14Å; K457-T460 PolarHBondContact O-OG1 2.86Å; T460-F462 VanDerWaalsContact C-N 3.3Å; T460-F462 PolarHBondContact O-N 3.37Å; T460-I463 PolarHBondContact O-N 3.19Å; T460-C464 PolarHBondContact O-N 2.9Å; T460-C464 PolarHBondContact O-SG 2.94Å; T460-C464 VanDerWaalsContact O-SG 3.34Å
461D69.1Low68.8Low57 Ų5797.4 Ų97.431%0.30549%0.491SS..Hα-helixtrans-57.6-42.7176.8-62.2-17.2000111.1Y435 K457 C464 S465Y435-D461 VanDerWaalsContact CE1-OD1 3.23Å; Y435-D461 WeakPolarHBondContact CE1-OD1 3.31Å; Y435-D461 PolarHBondContact OH-OD1 3.28Å; K457-D461 WeakPolarHBondContact CE-OD1 3.39Å; K457-D461 WeakPolarHBondContact CE-OD2 3.38Å; K457-D461 WeakPolarHBondContact CG-OD1 3.38Å; K457-D461 WeakPolarHBondContact CG-OD2 3.31Å; K457-D461 WeakPolarHBondContact O-CB 3.25Å; K457-D461 PolarHBondContact O-N 2.87Å; D461-C464 PolarHBondContact O-N 3.38Å; D461-S465 PolarHBondContact O-N 2.95Å
462F74.7Confident69.6Low124 Ų12495.8 Ų95.854%0.54449%0.487SS..Hα-helixtrans-61.8-50.6176.1-178.8-99.2000111.8R458 E459 T460 C464 S465 D466R458-F462 VanDerWaalsContact O-CB 3.29Å; R458-F462 WeakPolarHBondContact O-CB 3.26Å; R458-F462 PolarHBondContact O-N 3.19Å; E459-F462 PolarHBondContact O-N 2.91Å; T460-F462 VanDerWaalsContact C-N 3.3Å; T460-F462 PolarHBondContact O-N 3.37Å; F462-C464 VanDerWaalsContact C-N 3.32Å; F462-C464 PolarHBondContact O-N 2.95Å; F462-S465 PolarHBondContact O-N 2.84Å; F462-S465 PolarHBondContact O-OG 3.42Å; F462-D466 VanDerWaalsContact CZ-OD2 3.28Å; F462-D466 WeakPolarHBondContact CZ-OD2 3.32Å; F462-D466 PolarHBondContact O-N 3.46Å
463I74.3Confident70.4Confident94 Ų9490.2 Ų90.248%0.48247%0.474SS..Hα-helixtrans-58.5-42.5177.8-71163.7000111.3L455 E459 T460 S467L455-I463 HydrophobicContact CD1-CD1 3.87Å; E459-I463 WeakPolarHBondContact O-CB 3.4Å; E459-I463 WeakPolarHBondContact O-CD1 3.46Å; E459-I463 WeakPolarHBondContact O-CG1 3.16Å; E459-I463 PolarHBondContact O-N 3.49Å; T460-I463 PolarHBondContact O-N 3.19Å; I463-S467 WeakPolarHBondContact O-CB 3.44Å; I463-S467 PolarHBondContact O-N 3.06Å; I463-S467 PolarHBondContact O-OG 3.3Å
464C70.8Confident70.7Confident49 Ų4993.4 Ų93.433%0.33148%0.482SS..Hα-helixtrans-59.6-53.2173.9-690000111T460 D461 F462 D466 S467 E468T460-C464 PolarHBondContact O-N 2.9Å; T460-C464 PolarHBondContact O-SG 2.94Å; T460-C464 VanDerWaalsContact O-SG 3.34Å; D461-C464 PolarHBondContact O-N 3.38Å; F462-C464 VanDerWaalsContact C-N 3.32Å; F462-C464 PolarHBondContact O-N 2.95Å; C464-D466 VanDerWaalsContact C-N 3.31Å; C464-D466 PolarHBondContact O-N 3.43Å; C464-S467 WeakPolarHBondContact O-CB 3.31Å; C464-S467 PolarHBondContact O-N 3.09Å; C464-S467 PolarHBondContact O-OG 3.39Å; C464-E468 PolarHBondContact O-N 3.03Å
465S72.2Confident71Confident36 Ų3689.1 Ų89.125%0.25246%0.458SS..Hα-helixtrans-61.7-34.6-176.981.80000113.7D461 F462 K469D461-S465 PolarHBondContact O-N 2.95Å; F462-S465 PolarHBondContact O-N 2.84Å; F462-S465 PolarHBondContact O-OG 3.42Å; S465-K469 WeakPolarHBondContact O-CD 3.33Å; S465-K469 WeakPolarHBondContact O-CE 3.4Å; S465-K469 VanDerWaalsContact O-CG 3.28Å; S465-K469 WeakPolarHBondContact O-CG 3.4Å; S465-K469 PolarHBondContact O-N 3.28Å; S465-K469 PolarHBondContact OG-NZ 2.91Å
466D75.1Confident71.2Confident57 Ų5787.1 Ų87.131%0.30545%0.452SS..Hα-helixtrans-78.5-28.8175.4-85.15.7000112F462 C464 K469 L470F462-D466 VanDerWaalsContact CZ-OD2 3.28Å; F462-D466 WeakPolarHBondContact CZ-OD2 3.32Å; F462-D466 PolarHBondContact O-N 3.46Å; C464-D466 VanDerWaalsContact C-N 3.31Å; C464-D466 PolarHBondContact O-N 3.43Å; D466-K469 IonicContact OD1-NZ 3.11Å; D466-K469 PolarHBondContact OD1-NZ 3.06Å; D466-L470 WeakPolarHBondContact O-CB 3.25Å; D466-L470 VanDerWaalsContact O-CG 3.24Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.92Å
467S68.7Low71.2Confident62 Ų6292.7 Ų92.743%0.43446%0.464SS..Hα-helixtrans-66-39.2172.378.10000112.3I463 C464 L470 L471I463-S467 WeakPolarHBondContact O-CB 3.44Å; I463-S467 PolarHBondContact O-N 3.06Å; I463-S467 PolarHBondContact O-OG 3.3Å; C464-S467 WeakPolarHBondContact O-CB 3.31Å; C464-S467 PolarHBondContact O-N 3.09Å; C464-S467 PolarHBondContact O-OG 3.39Å; S467-L470 PolarHBondContact O-N 3.34Å; S467-L471 WeakPolarHBondContact O-CB 3.37Å; S467-L471 PolarHBondContact O-N 2.79Å
468E70.8Confident71.3Confident133 Ų13389.7 Ų89.762%0.62146%0.457SS*.Hα-helixtrans-63.5-47.5174.6-68.8172.9164.100111.5C464 L470 L471 A472C464-E468 PolarHBondContact O-N 3.03Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; E468-L471 PolarHBondContact O-N 2.7Å; E468-A472 PolarHBondContact O-N 2.92Å
469K72.2Confident70.9Confident106 Ų10683.9 Ų83.946%0.46144%0.439SS..Hα-helixtrans-60.1-41.3175-66.2164.5-146.71510111.7S465 D466 N473S465-K469 WeakPolarHBondContact O-CD 3.33Å; S465-K469 WeakPolarHBondContact O-CE 3.4Å; S465-K469 VanDerWaalsContact O-CG 3.28Å; S465-K469 WeakPolarHBondContact O-CG 3.4Å; S465-K469 PolarHBondContact O-N 3.28Å; S465-K469 PolarHBondContact OG-NZ 2.91Å; D466-K469 IonicContact OD1-NZ 3.11Å; D466-K469 PolarHBondContact OD1-NZ 3.06Å; K469-N473 WeakPolarHBondContact O-CB 3.19Å; K469-N473 PolarHBondContact O-N 3.03Å; K469-N473 PolarHBondContact O-ND2 3.01Å
470L68.2Low70.8Confident115 Ų11586.5 Ų86.560%0.60245%0.449SS*.Hα-helixtrans-66.3-38.3176.5-76.7169.9000111.8D466 S467 E468 F474D466-L470 WeakPolarHBondContact O-CB 3.25Å; D466-L470 VanDerWaalsContact O-CG 3.24Å; D466-L470 WeakPolarHBondContact O-CG 3.37Å; D466-L470 PolarHBondContact O-N 2.92Å; S467-L470 PolarHBondContact O-N 3.34Å; E468-L470 VanDerWaalsContact C-N 3.32Å; E468-L470 PolarHBondContact O-N 2.91Å; L470-F474 VanDerWaalsContact O-CB 3.25Å; L470-F474 WeakPolarHBondContact O-CB 3.49Å; L470-F474 PolarHBondContact O-N 3.45Å
471L69.4Low70.5Confident125 Ų12590.4 Ų90.465%0.65447%0.468SS*.Hα-helixtrans-68.2-42177.6-159.972.5000111.9S467 E468 F474 S475S467-L471 WeakPolarHBondContact O-CB 3.37Å; S467-L471 PolarHBondContact O-N 2.79Å; E468-L471 PolarHBondContact O-N 2.7Å; L471-F474 PolarHBondContact O-N 3.12Å; L471-S475 PolarHBondContact O-N 3.37Å
472A71.1Confident70.4Confident59 Ų5992.8 Ų92.849%0.48848%0.476SS..Hα-helixtrans-62.4-46.2173.800000112.1E468 F474 S475 A476E468-A472 PolarHBondContact O-N 2.92Å; A472-F474 VanDerWaalsContact C-N 3.32Å; A472-F474 PolarHBondContact O-N 3.32Å; A472-S475 PolarHBondContact O-N 3.43Å; A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.02Å
473N71.2Confident70Confident111 Ų11189.5 Ų89.559%0.59447%0.472SS*.Hα-helixtrans-63.7-36175.1-78.4-50.9000112.6K469 R477K469-N473 WeakPolarHBondContact O-CB 3.19Å; K469-N473 PolarHBondContact O-N 3.03Å; K469-N473 PolarHBondContact O-ND2 3.01Å; N473-R477 WeakPolarHBondContact O-CB 3.33Å; N473-R477 PolarHBondContact O-N 2.82Å
474F69.4Low69.9Low100 Ų10089 Ų8944%0.43948%0.477SS..Hα-helixtrans-65.8-48.1175-179.2-100.7000111.4M13 L470 L471 A472 A476 R477 C478M13-F474 HydrophobicContact SD-CE1 4.14Å; M13-F474 HydrophobicContact SD-CZ 3.88Å; L470-F474 VanDerWaalsContact O-CB 3.25Å; L470-F474 WeakPolarHBondContact O-CB 3.49Å; L470-F474 PolarHBondContact O-N 3.45Å; L471-F474 PolarHBondContact O-N 3.12Å; A472-F474 VanDerWaalsContact C-N 3.32Å; A472-F474 PolarHBondContact O-N 3.32Å; F474-A476 PolarHBondContact O-N 3.09Å; F474-R477 PolarHBondContact O-N 2.87Å; F474-R477 VanDerWaalsContact O-N 3.16Å; F474-C478 VanDerWaalsContact CZ-SG 3.58Å; F474-C478 PolarHBondContact O-N 2.84Å; F474-C478 PolarHBondContact O-SG 3.32Å
475S71.8Confident69.7Low57 Ų5793.7 Ų93.740%0.39949%0.494SS..Hα-helixtrans-56.7-50.3175.6179.40000111.8L471 A472 R477 C478 H479L471-S475 PolarHBondContact O-N 3.37Å; A472-S475 PolarHBondContact O-N 3.43Å; S475-R477 VanDerWaalsContact C-N 3.26Å; S475-R477 PolarHBondContact O-N 3.1Å; S475-C478 PolarHBondContact O-N 3.39Å; S475-C478 VanDerWaalsContact O-N 3.16Å; S475-H479 PolarHBondContact O-N 3.11Å
476A69.8Low69.1Low34 Ų3495.9 Ų95.928%0.28150%0.5SS..Hα-helixtrans-60.2-34.2177.400000113A472 F474 K480A472-A476 WeakPolarHBondContact O-CB 3.45Å; A472-A476 PolarHBondContact O-N 3.02Å; F474-A476 PolarHBondContact O-N 3.09Å; A476-K480 WeakPolarHBondContact O-CG 3.37Å; A476-K480 PolarHBondContact O-N 3.11Å
477R71.5Confident68.4Low185 Ų18597.4 Ų97.470%0.69851%0.513SS*.Hα-helixtrans-73.9-38.7176-165.6173.9-170.8167.53.5112.4N473 F474 S475 K480 L481N473-R477 WeakPolarHBondContact O-CB 3.33Å; N473-R477 PolarHBondContact O-N 2.82Å; F474-R477 PolarHBondContact O-N 2.87Å; F474-R477 VanDerWaalsContact O-N 3.16Å; S475-R477 VanDerWaalsContact C-N 3.26Å; S475-R477 PolarHBondContact O-N 3.1Å; R477-K480 PolarHBondContact O-N 3.45Å; R477-L481 WeakPolarHBondContact O-CG 3.43Å; R477-L481 PolarHBondContact O-N 2.84Å
478C68.7Low68.1Low51 Ų51102.7 Ų102.735%0.34553%0.531SS..Hα-helixtrans-65.1-44.7175.3-660000111.5F474 S475 K480 L481 F482F474-C478 VanDerWaalsContact CZ-SG 3.58Å; F474-C478 PolarHBondContact O-N 2.84Å; F474-C478 PolarHBondContact O-SG 3.32Å; S475-C478 PolarHBondContact O-N 3.39Å; S475-C478 VanDerWaalsContact O-N 3.16Å; C478-K480 PolarHBondContact O-N 3.45Å; C478-L481 PolarHBondContact O-N 3.38Å; C478-F482 WeakPolarHBondContact O-CB 3.34Å; C478-F482 PolarHBondContact O-N 3.36Å
479H62.9Low67.1Low90 Ų9099.2 Ų99.242%0.41752%0.52SS..Hα-helixtrans-61.9-39.1174.7-87.7-80.7000112.8S475 F482 A483 L493S475-H479 PolarHBondContact O-N 3.11Å; H479-F482 PolarHBondContact O-N 3.48Å; H479-A483 WeakPolarHBondContact O-CB 3.38Å; H479-A483 PolarHBondContact O-N 3.45Å; H479-L493 HydrophobicContact CB-CD2 4.4Å
480K69.5Low66.1Low153 Ų153105.3 Ų105.367%0.66554%0.541SS*.Hα-helixtrans-63.5-40.4173.7-79.6-175.4175.3-174.30112.8A476 R477 C478 S484A476-K480 WeakPolarHBondContact O-CG 3.37Å; A476-K480 PolarHBondContact O-N 3.11Å; R477-K480 PolarHBondContact O-N 3.45Å; C478-K480 PolarHBondContact O-N 3.45Å; K480-S484 PolarHBondContact O-N 2.95Å; K480-S484 VanDerWaalsContact O-N 3.13Å; K480-S484 PolarHBondContact O-OG 2.89Å
481L69.7Low65.5Low100 Ų100104.6 Ų104.652%0.52454%0.541SS..Hα-helixtrans-66.7-44175.7-73.1165.9000111.6R477 C478 S484 H485R477-L481 WeakPolarHBondContact O-CG 3.43Å; R477-L481 PolarHBondContact O-N 2.84Å; C478-L481 PolarHBondContact O-N 3.38Å; L481-S484 WeakPolarHBondContact CA-OG 3.41Å; L481-S484 PolarHBondContact O-N 2.87Å; L481-S484 PolarHBondContact O-OG 3.29Å; L481-H485 PolarHBondContact O-N 3.27Å
482F66.7Low64.9Low107 Ų107103.9 Ų103.947%0.46954%0.538SS..Hα-helixtrans-60.1-48.9176.4-176-96.5000111.9C478 H479 S484 H485 H486 C489C478-F482 WeakPolarHBondContact O-CB 3.34Å; C478-F482 PolarHBondContact O-N 3.36Å; H479-F482 PolarHBondContact O-N 3.48Å; F482-S484 PolarHBondContact O-N 3.41Å; F482-H485 PolarHBondContact O-N 2.93Å; F482-H486 AromaticContact CD2-CD2 3.97Å; F482-H486 AromaticContact CE2-CD2 3.58Å; F482-H486 AromaticContact CZ-CD2 3.87Å; F482-H486 PolarHBondContact O-N 3.43Å; F482-C489 HydrophobicContact CE1-CB 3.97Å
483A66.4Low64Low55 Ų55104.9 Ų104.946%0.45553%0.534SS..Hα-helixtrans-63.2-25.1177.200000113.6H479H479-A483 WeakPolarHBondContact O-CB 3.38Å; H479-A483 PolarHBondContact O-N 3.45Å
484S71.3Confident63.2Low84 Ų84102.1 Ų102.159%0.58753%0.527SS*.Hα-helixtrans-78.5-20.2172.964.20000114.6K480 L481 F482K480-S484 PolarHBondContact O-N 2.95Å; K480-S484 VanDerWaalsContact O-N 3.13Å; K480-S484 PolarHBondContact O-OG 2.89Å; L481-S484 WeakPolarHBondContact CA-OG 3.41Å; L481-S484 PolarHBondContact O-N 2.87Å; L481-S484 PolarHBondContact O-OG 3.29Å; F482-S484 PolarHBondContact O-N 3.41Å
485H67.8Low62.4Low148 Ų148104.7 Ų104.769%0.68554%0.54SS*.Hα-helixtrans-96.5-22.2176.2-88.6-81.4000113.7L481 F482L481-H485 PolarHBondContact O-N 3.27Å; F482-H485 PolarHBondContact O-N 2.93Å
486H58.8Low61.6Low81 Ų81105.1 Ų105.138%0.37554%0.54SS..  trans-128.980.9-179.9-64.2-68.7000111.1F482 E488 C489F482-H486 AromaticContact CD2-CD2 3.97Å; F482-H486 AromaticContact CE2-CD2 3.58Å; F482-H486 AromaticContact CZ-CD2 3.87Å; F482-H486 PolarHBondContact O-N 3.43Å; H486-E488 PolarHBondContact O-N 3.02Å; H486-C489 HydrophobicContact CB-CB 3.91Å; H486-C489 PolarHBondContact O-N 3.24Å
487P61.6Low60.5Low90 Ų90109 Ų10958%0.58455%0.551SS**THydrogen-bonded Turntrans-62.2-28.7179.525.2-33.5000112.8C489P487-C489 PolarHBondContact O-N 3Å
488E60.7Low59.5Low173 Ų173104.4 Ų104.481%0.80854%0.541SS*.THydrogen-bonded Turntrans-60.4-29.4173-39.7-49.9135.300112.8H486 R490H486-E488 PolarHBondContact O-N 3.02Å; E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 3.21Å
489C51.7Low58.5Low59 Ų59105.1 Ų105.140%0.39955%0.546SS..  trans-9649.4-170.7-61.20000112.3F482 H486 P487 V491F482-C489 HydrophobicContact CE1-CB 3.97Å; H486-C489 HydrophobicContact CB-CB 3.91Å; H486-C489 PolarHBondContact O-N 3.24Å; P487-C489 PolarHBondContact O-N 3Å; C489-V491 VanDerWaalsContact C-N 3.3Å; C489-V491 PolarHBondContact O-N 2.89Å
490R49.3Very low57.6Low235 Ų235104.4 Ų104.489%0.88755%0.551SS**  trans-78.670-173.2-157.2178.3-166178.54.7113.1E488E488-R490 VanDerWaalsContact C-N 3.34Å; E488-R490 PolarHBondContact O-N 3.21Å
491V57.4Low56.5Low99 Ų99100.6 Ų100.660%0.654%0.541SS*.  trans-66.9129.3171.9-177.70000110C489 L493 V496C489-V491 VanDerWaalsContact C-N 3.3Å; C489-V491 PolarHBondContact O-N 2.89Å; V491-L493 PolarHBondContact O-N 3.22Å; V491-V496 HydrophobicContact CG1-CG2 3.85Å
492D55.1Low55.2Low111 Ų111103.1 Ų103.159%0.59455%0.547SS*.  trans-75.5111.3-178.4-158.5-29.1000111.4A494 E495D492-A494 PolarHBondContact O-N 3.36Å; D492-A494 VanDerWaalsContact O-N 3.17Å; D492-A494 PolarHBondContact OD1-N 3.5Å; D492-A494 VanDerWaalsContact OD1-N 3.16Å; D492-E495 PolarHBondContact O-N 3.27Å; D492-E495 VanDerWaalsContact O-N 3.15Å
493L53.2Low54.1Low80 Ų80101.9 Ų101.942%0.41955%0.549SS..Hα-helixtrans-61.4-25-176.7-72.9168000112.5H479 V491 E495 F497H479-L493 HydrophobicContact CB-CD2 4.4Å; V491-L493 PolarHBondContact O-N 3.22Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.45Å; L493-F497 HydrophobicContact CD2-CE2 4.47Å; L493-F497 WeakPolarHBondContact O-CD2 3.25Å; L493-F497 PolarHBondContact O-N 3.49Å; L493-F497 VanDerWaalsContact O-N 3.14Å
494A54.2Low53Low53 Ų53106.2 Ų106.244%0.43856%0.56SS.*Hα-helixtrans-61.5-38.617700000111.9D492 N498D492-A494 PolarHBondContact O-N 3.36Å; D492-A494 VanDerWaalsContact O-N 3.17Å; D492-A494 PolarHBondContact OD1-N 3.5Å; D492-A494 VanDerWaalsContact OD1-N 3.16Å; A494-N498 WeakPolarHBondContact O-CB 3.5Å; A494-N498 PolarHBondContact O-N 3.37Å; A494-N498 PolarHBondContact O-ND2 2.8Å
495E53Low51.6Low154 Ų154105.9 Ų105.972%0.7255%0.554SS**Hα-helixtrans-78.1-37.9-176.1-165.9161.6-129.400112.2D492 L493 N498 S499D492-E495 PolarHBondContact O-N 3.27Å; D492-E495 VanDerWaalsContact O-N 3.15Å; L493-E495 VanDerWaalsContact C-N 3.3Å; L493-E495 PolarHBondContact O-N 3.45Å; E495-N498 PolarHBondContact O-N 3.07Å; E495-S499 WeakPolarHBondContact O-CB 3.47Å; E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.2Å; E495-S499 VanDerWaalsContact O-OG 3.14Å
496V53.7Low50.3Low66 Ų66101.2 Ų101.240%0.454%0.541SS..Hα-helixtrans-66.3-39.5176.6-176.90000111.8V491 S499V491-V496 HydrophobicContact CG1-CG2 3.85Å; V496-S499 PolarHBondContact O-OG 3.42Å
497F48.3Very low49.6Very low114 Ų114104.2 Ų104.250%0.556%0.555SS.*Hα-helixtrans-74.9-36.6174.6-85.2-85.5000112.6L493 S500 T501L493-F497 HydrophobicContact CD2-CE2 4.47Å; L493-F497 WeakPolarHBondContact O-CD2 3.25Å; L493-F497 PolarHBondContact O-N 3.49Å; L493-F497 VanDerWaalsContact O-N 3.14Å; F497-S500 PolarHBondContact O-N 2.97Å; F497-T501 PolarHBondContact O-N 2.87Å; F497-T501 PolarHBondContact O-OG1 3.28Å
498N50.2Low48.7Very low90 Ų90103.3 Ų103.348%0.48155%0.551SS.*Hα-helixtrans-74.8-23.7179.6-76-37.1000114.4A494 E495 T501 K502A494-N498 WeakPolarHBondContact O-CB 3.5Å; A494-N498 PolarHBondContact O-N 3.37Å; A494-N498 PolarHBondContact O-ND2 2.8Å; E495-N498 PolarHBondContact O-N 3.07Å; N498-T501 WeakPolarHBondContact CA-OG1 3.17Å; N498-T501 PolarHBondContact O-OG1 3.14Å; N498-K502 WeakPolarHBondContact O-CB 3.29Å; N498-K502 WeakPolarHBondContact O-CD 3.39Å; N498-K502 WeakPolarHBondContact O-CG 3.36Å; N498-K502 PolarHBondContact O-N 3.49Å
499S47.4Very low48Very low65 Ų6599.4 Ų99.446%0.45554%0.535SS..Hα-helixtrans-69.6-45.5170.956.10000111.3E495 V496 T501 K502 T503E495-S499 WeakPolarHBondContact O-CB 3.47Å; E495-S499 PolarHBondContact O-N 2.92Å; E495-S499 PolarHBondContact O-OG 3.2Å; E495-S499 VanDerWaalsContact O-OG 3.14Å; V496-S499 PolarHBondContact O-OG 3.42Å; S499-T501 PolarHBondContact O-N 3.19Å; S499-K502 PolarHBondContact O-N 3.37Å; S499-T503 PolarHBondContact O-N 3.47Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.12Å
500S44.5Very low47.7Very low76 Ų76103.5 Ų103.553%0.53155%0.553SS.*Hα-helixtrans-63-41.1179.1-167.20000113.2F497 T503 Q504F497-S500 PolarHBondContact O-N 2.97Å; S500-T503 PolarHBondContact O-N 2.7Å; S500-Q504 PolarHBondContact O-N 2.86Å
501T45.7Very low47.4Very low73 Ų7396.8 Ų96.845%0.44854%0.542SS..Hα-helixtrans-68.5-39.7174.954.80000112.3F497 N498 S499 T503 Q504 V505F497-T501 PolarHBondContact O-N 2.87Å; F497-T501 PolarHBondContact O-OG1 3.28Å; N498-T501 WeakPolarHBondContact CA-OG1 3.17Å; N498-T501 PolarHBondContact O-OG1 3.14Å; S499-T501 PolarHBondContact O-N 3.19Å; T501-T503 VanDerWaalsContact C-N 3.26Å; T501-T503 PolarHBondContact O-N 3.37Å; T501-Q504 PolarHBondContact O-N 3.18Å; T501-V505 WeakPolarHBondContact O-CG2 3.35Å; T501-V505 PolarHBondContact O-N 3.09Å
502K42.8Very low46.8Very low152 Ų15295.4 Ų95.466%0.66154%0.541SS*.Hα-helixtrans-58.2-36.2173.8-79.4172.8-178.2178.40112.3N498 S499 A506N498-K502 WeakPolarHBondContact O-CB 3.29Å; N498-K502 WeakPolarHBondContact O-CD 3.39Å; N498-K502 WeakPolarHBondContact O-CG 3.36Å; N498-K502 PolarHBondContact O-N 3.49Å; S499-K502 PolarHBondContact O-N 3.37Å; K502-A506 VanDerWaalsContact O-CB 3.26Å; K502-A506 WeakPolarHBondContact O-CB 3.25Å; K502-A506 PolarHBondContact O-N 2.91Å
503T44.2Very low46.3Very low82 Ų8297.2 Ų97.250%0.50355%0.55SS.*Hα-helixtrans-66-42.5177.6-52.30000112.9S499 S500 T501 Q507S499-T503 PolarHBondContact O-N 3.47Å; S499-T503 VanDerWaalsContact O-N 3.11Å; S499-T503 PolarHBondContact O-OG1 3.12Å; S500-T503 PolarHBondContact O-N 2.7Å; T501-T503 VanDerWaalsContact C-N 3.26Å; T501-T503 PolarHBondContact O-N 3.37Å; T503-Q507 WeakPolarHBondContact O-CG 3.41Å; T503-Q507 PolarHBondContact O-N 2.93Å
504Q43.3Very low45.9Very low145 Ų14597.4 Ų97.468%0.67856%0.564SS**Hα-helixtrans-73.2-33.1176.6-71.6-168-13.400113.3S500 T501 Q507 S508S500-Q504 PolarHBondContact O-N 2.86Å; T501-Q504 PolarHBondContact O-N 3.18Å; Q504-Q507 PolarHBondContact O-N 2.95Å; Q504-S508 PolarHBondContact O-N 3.26Å; Q504-S508 PolarHBondContact O-OG 2.94Å
505V41.7Very low45.3Very low78 Ų78104 Ų10447%0.47359%0.585SS.*Hα-helixtrans-69.3-42.2174.9172.90000111.3T501 Q507 S508 I509T501-V505 WeakPolarHBondContact O-CG2 3.35Å; T501-V505 PolarHBondContact O-N 3.09Å; V505-Q507 VanDerWaalsContact C-N 3.28Å; V505-Q507 PolarHBondContact O-N 2.9Å; V505-S508 WeakPolarHBondContact CA-OG 3.41Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.15Å; V505-S508 PolarHBondContact O-OG 3.4Å; V505-S508 VanDerWaalsContact O-OG 3.13Å; V505-I509 HydrophobicContact CG1-CD1 3.61Å; V505-I509 HydrophobicContact CG1-CG1 4.3Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 3.4Å
506A40.3Very low44.7Very low50 Ų50108.1 Ų108.141%0.41361%0.612SS.*Hα-helixtrans-62-34.5175.400000112.9K502 S508 N510K502-A506 VanDerWaalsContact O-CB 3.26Å; K502-A506 WeakPolarHBondContact O-CB 3.25Å; K502-A506 PolarHBondContact O-N 2.91Å; A506-S508 VanDerWaalsContact C-N 3.34Å; A506-N510 PolarHBondContact O-ND2 3.36Å
507Q44.1Very low44.2Very low144 Ų144110.2 Ų110.267%0.67362%0.622SS**Hα-helixtrans-77.4-14.7177.3-73-178.7-6.200114.2T503 Q504 V505T503-Q507 WeakPolarHBondContact O-CG 3.41Å; T503-Q507 PolarHBondContact O-N 2.93Å; Q504-Q507 PolarHBondContact O-N 2.95Å; V505-Q507 VanDerWaalsContact C-N 3.28Å; V505-Q507 PolarHBondContact O-N 2.9Å
508S42.8Very low44Very low70 Ų70110 Ų11049%0.4963%0.629SS.*Hα-helixtrans-100.1-27.417840.40000113.5Q504 V505 A506 S511Q504-S508 PolarHBondContact O-N 3.26Å; Q504-S508 PolarHBondContact O-OG 2.94Å; V505-S508 WeakPolarHBondContact CA-OG 3.41Å; V505-S508 PolarHBondContact O-N 3.3Å; V505-S508 VanDerWaalsContact O-N 3.15Å; V505-S508 PolarHBondContact O-OG 3.4Å; V505-S508 VanDerWaalsContact O-OG 3.13Å; A506-S508 VanDerWaalsContact C-N 3.34Å; S508-S511 PolarHBondContact O-OG 3.27Å
509I45.9Very low43.7Very low91 Ų91111.1 Ų111.147%0.46764%0.637SS.*Hα-helixtrans-70.9-42173.6-66170.1000111.3V505 S511 A512V505-I509 HydrophobicContact CG1-CD1 3.61Å; V505-I509 HydrophobicContact CG1-CG1 4.3Å; V505-I509 WeakPolarHBondContact O-CG1 3.23Å; V505-I509 PolarHBondContact O-N 3.4Å; I509-S511 PolarHBondContact O-N 3.47Å; I509-A512 PolarHBondContact O-N 3.31Å
510N44.2Very low43.5Very low145 Ų145113.8 Ų113.878%0.77565%0.648SS**THydrogen-bonded Turntrans-64.97.4178.7-69.9-7.3000115.1A506A506-N510 PolarHBondContact O-ND2 3.36Å
511S44.6Very low43.4Very low94 Ų94116.2 Ų116.266%0.65766%0.655SS**THydrogen-bonded Turntrans-120.37.5175.456.20000114.1S508 I509S508-S511 PolarHBondContact O-OG 3.27Å; I509-S511 PolarHBondContact O-N 3.47Å
512A44Very low43.2Very low71 Ų71119.1 Ų119.159%0.58767%0.669SS**THydrogen-bonded Turntrans-104.8-38.1-17900000113.8I509 A514I509-A512 PolarHBondContact O-N 3.31Å; A512-A514 VanDerWaalsContact C-N 3.26Å; A512-A514 PolarHBondContact O-N 3.49Å
513D44.2Very low43.3Very low148 Ų148116.7 Ų116.779%0.79167%0.67SS**SBendtrans-87.543.7-171.8-61.2-45.5000113.8
514A44.8Very low43.2Very low84 Ų84119.4 Ų119.469%0.69468%0.682SS**  trans-134.839.3-175.600000113.3A512A512-A514 VanDerWaalsContact C-N 3.26Å; A512-A514 PolarHBondContact O-N 3.49Å
515H42.4Very low43.2Very low192 Ų192117.3 Ų117.389%0.88968%0.683SS**  trans-151.991.5171.2-104.7-51.2000112.7
516D39.7Very low43.3Very low240 Ų240120.8 Ų120.8100%1.28370%0.702SS**  trans-141.70153.3-154.430.9000106.9

Retrieved 516 of 516 residues in 67 ms (Link to these results)