G4VAX9_SCHMA Loading...

Putative DNA double-strand break repair rad50 ATPase

AlphaFold DB , UniProt , Accession G4VAX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 571 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M35.7Very low59.8Low245 Ų245141.2 Ų141.2100%1.20771%0.713SS**  088.10-87.1-148-89.700108.2
2E42.8Very low61.3Low178 Ų178138 Ų13883%0.83270%0.699SS**  trans-148.2124.7157.6-82.7-171.1161.500104.7V4E2-V4 PolarHBondContact O-N 3.17Å
3P49.1Very low62.8Low127 Ų127137.2 Ų137.283%0.82569%0.687SS**  trans-73.3115.1-172.829-31.1000109.4S5P3-S5 PolarHBondContact O-N 2.83Å
4V49.8Very low64Low114 Ų114131.9 Ų131.969%0.69168%0.675SS**  trans-67.3104.2177178.10000108.6E2 Q6E2-V4 PolarHBondContact O-N 3.17Å; V4-Q6 PolarHBondContact O-N 3.42Å
5S57.1Low65.2Low80 Ų80132.2 Ų132.256%0.55967%0.67SS**  trans-59131.8178.4-50.50000111.2P3 Q7 R8P3-S5 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact O-N 3.33Å; S5-R8 PolarHBondContact O-N 3.39Å
6Q63.8Low66.1Low160 Ų160129.5 Ų129.575%0.74866%0.657SS**Hα-helixtrans-46.2-30.2-179.2-104.3139.8-28.600114.8V4 R8 L9 D10V4-Q6 PolarHBondContact O-N 3.42Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 2.93Å; Q6-L9 PolarHBondContact O-N 2.79Å; Q6-L9 VanDerWaalsContact O-N 3.15Å; Q6-D10 PolarHBondContact O-N 2.78Å; Q6-D10 VanDerWaalsContact O-N 3.11Å
7Q68Low67.2Low156 Ų156125.3 Ų125.373%0.72965%0.646SS**Hα-helixtrans-56.1-38.4174.8-71177.2-18.500113.6S5 L9 D10 E11S5-Q7 PolarHBondContact O-N 3.33Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.49Å; Q7-D10 PolarHBondContact O-N 3.33Å; Q7-E11 WeakPolarHBondContact O-CG 3.28Å; Q7-E11 PolarHBondContact O-N 3.15Å
8R65.2Low68.1Low179 Ų179124.7 Ų124.768%0.67564%0.644SS**Hα-helixtrans-74.6-26.1-178.9-138.4162.5-170.51690.3112.5S5 Q6 L12S5-R8 PolarHBondContact O-N 3.39Å; Q6-R8 VanDerWaalsContact C-N 3.29Å; Q6-R8 PolarHBondContact O-N 2.93Å; R8-L12 WeakPolarHBondContact O-CB 3.28Å; R8-L12 VanDerWaalsContact O-CG 3.32Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 2.77Å; R8-L12 VanDerWaalsContact O-N 3.08Å
9L70.8Confident69Low84 Ų84123.6 Ų123.644%0.4464%0.639SS.*Hα-helixtrans-77.1-37.7177.1-136157.8000110.6Q6 Q7 L12 K13Q6-L9 PolarHBondContact O-N 2.79Å; Q6-L9 VanDerWaalsContact O-N 3.15Å; Q7-L9 VanDerWaalsContact C-N 3.32Å; Q7-L9 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.02Å; L9-K13 HydrophobicContact CD2-CD 4.33Å; L9-K13 HydrophobicContact CD2-CG 4.45Å; L9-K13 WeakPolarHBondContact O-CB 3.15Å; L9-K13 WeakPolarHBondContact O-CG 3.41Å; L9-K13 PolarHBondContact O-N 3.48Å
10D77.2Confident69.8Low95 Ų95123.9 Ų123.951%0.50864%0.637SS.*Hα-helixtrans-71.7-36.6174-67.9-23.6000112.1Q6 Q7 K13 A14Q6-D10 PolarHBondContact O-N 2.78Å; Q6-D10 VanDerWaalsContact O-N 3.11Å; Q7-D10 PolarHBondContact O-N 3.33Å; D10-K13 PolarHBondContact O-N 2.8Å; D10-A14 WeakPolarHBondContact O-CB 3.36Å; D10-A14 PolarHBondContact O-N 3.41Å
11E78.6Confident70.6Confident135 Ų135119.8 Ų119.863%0.63163%0.625SS**Hα-helixtrans-61.9-42.8169.3-79.5-178.5170.300112.4Q7 A14 K15Q7-E11 WeakPolarHBondContact O-CG 3.28Å; Q7-E11 PolarHBondContact O-N 3.15Å; E11-A14 PolarHBondContact O-N 2.75Å; E11-K15 WeakPolarHBondContact O-CB 3.37Å; E11-K15 PolarHBondContact O-N 2.79Å
12L77.7Confident73.1Confident103 Ų103111.6 Ų111.654%0.53959%0.586SS.*Hα-helixtrans-66.4-39.4175.8-78.8171.5000112R8 L9 K15 I16R8-L12 WeakPolarHBondContact O-CB 3.28Å; R8-L12 VanDerWaalsContact O-CG 3.32Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 2.77Å; R8-L12 VanDerWaalsContact O-N 3.08Å; L9-L12 PolarHBondContact O-N 3.02Å; L12-K15 PolarHBondContact O-N 2.95Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 3.28Å
13K80.5Confident75.1Confident127 Ų127112.8 Ų112.855%0.55258%0.583SS**Hα-helixtrans-64.1-42.4173.5-76.9174.9-179.5173.20111.9L9 D10 K15 I16 A17L9-K13 HydrophobicContact CD2-CD 4.33Å; L9-K13 HydrophobicContact CD2-CG 4.45Å; L9-K13 WeakPolarHBondContact O-CB 3.15Å; L9-K13 WeakPolarHBondContact O-CG 3.41Å; L9-K13 PolarHBondContact O-N 3.48Å; D10-K13 PolarHBondContact O-N 2.8Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 2.8Å; K13-I16 PolarHBondContact O-N 3.22Å; K13-A17 WeakPolarHBondContact O-CB 3.07Å; K13-A17 PolarHBondContact O-N 3.4Å
14A79.6Confident77Confident63 Ų63113 Ų11352%0.52157%0.571SS.*Hα-helixtrans-63.4-39.4174.800000111.6D10 E11 A17 L18D10-A14 WeakPolarHBondContact O-CB 3.36Å; D10-A14 PolarHBondContact O-N 3.41Å; E11-A14 PolarHBondContact O-N 2.75Å; A14-A17 PolarHBondContact O-N 3.16Å; A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 PolarHBondContact O-N 2.61Å
15K82.1Confident78.7Confident137 Ų137109.5 Ų109.560%0.59655%0.554SS**Hα-helixtrans-69.9-37.4176.2-164.2166.4-172.5172.50112.7E11 L12 K13 L18 L19E11-K15 WeakPolarHBondContact O-CB 3.37Å; E11-K15 PolarHBondContact O-N 2.79Å; L12-K15 PolarHBondContact O-N 2.95Å; K13-K15 VanDerWaalsContact C-N 3.33Å; K13-K15 PolarHBondContact O-N 2.8Å; K15-L18 PolarHBondContact O-N 3.41Å; K15-L19 HydrophobicContact CG-CD1 4.47Å; K15-L19 WeakPolarHBondContact O-CB 3.25Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 3.34Å
16I80.1Confident80.2Confident89 Ų89113.8 Ų113.846%0.45656%0.559SS.*Hα-helixtrans-65.6-45.1172.2-70.3167.4000110.1L12 K13 L18 L19 E20L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.28Å; L12-I16 WeakPolarHBondContact O-CG1 3.23Å; L12-I16 PolarHBondContact O-N 3.28Å; K13-I16 PolarHBondContact O-N 3.22Å; I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 2.84Å; I16-L19 CarbonylContact O-C 3.57Å; I16-L19 PolarHBondContact O-N 2.69Å; I16-L19 VanDerWaalsContact O-N 3.17Å; I16-E20 HydrophobicContact CG2-CG 4.15Å; I16-E20 WeakPolarHBondContact O-CB 3.41Å; I16-E20 WeakPolarHBondContact O-CG 3.4Å; I16-E20 PolarHBondContact O-N 2.85Å
17A84Confident81.4Confident58 Ų58113.8 Ų113.848%0.47955%0.553SS.*Hα-helixtrans-62-37.8176.800000112.3K13 A14 G21K13-A17 WeakPolarHBondContact O-CB 3.07Å; K13-A17 PolarHBondContact O-N 3.4Å; A14-A17 PolarHBondContact O-N 3.16Å; A17-G21 PolarHBondContact O-N 3.08Å
18L83.9Confident82.5Confident115 Ų115110.7 Ų110.760%0.60254%0.539SS*.Hα-helixtrans-66.6-43.6173-164.381.2000111.4A14 K15 I16 G21 D22A14-L18 WeakPolarHBondContact O-CB 3.3Å; A14-L18 PolarHBondContact O-N 2.61Å; K15-L18 PolarHBondContact O-N 3.41Å; I16-L18 VanDerWaalsContact C-N 3.31Å; I16-L18 PolarHBondContact O-N 2.84Å; L18-G21 CarbonylContact O-C 3.6Å; L18-G21 PolarHBondContact O-N 3.45Å; L18-D22 WeakPolarHBondContact O-CB 3.12Å; L18-D22 PolarHBondContact O-N 2.84Å
19L85.7Confident83.7Confident104 Ų104106.8 Ų106.855%0.54553%0.531SS..Hα-helixtrans-67.5-34.4176.5-75.4171.5000112.8K15 I16 R23K15-L19 HydrophobicContact CG-CD1 4.47Å; K15-L19 WeakPolarHBondContact O-CB 3.25Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 3.34Å; I16-L19 CarbonylContact O-C 3.57Å; I16-L19 PolarHBondContact O-N 2.69Å; I16-L19 VanDerWaalsContact O-N 3.17Å; L19-R23 WeakPolarHBondContact O-CB 3.02Å; L19-R23 PolarHBondContact O-N 3.3Å
20E84.8Confident84.7Confident128 Ų128106 Ų10660%0.59853%0.533SS*.Hα-helixtrans-70.8-38.7172.9-75.2-180168.800110.9I16 K24I16-E20 HydrophobicContact CG2-CG 4.15Å; I16-E20 WeakPolarHBondContact O-CB 3.41Å; I16-E20 WeakPolarHBondContact O-CG 3.4Å; I16-E20 PolarHBondContact O-N 2.85Å; E20-K24 WeakPolarHBondContact O-CB 3.32Å; E20-K24 PolarHBondContact O-N 3.22Å
21G86.1Confident85.4Confident38 Ų38104.9 Ų104.939%0.39253%0.529SS..Hα-helixtrans-61-48.5170.700000112.1A17 L18 K24 A25A17-G21 PolarHBondContact O-N 3.08Å; L18-G21 CarbonylContact O-C 3.6Å; L18-G21 PolarHBondContact O-N 3.45Å; G21-K24 PolarHBondContact O-N 2.94Å; G21-A25 WeakPolarHBondContact O-CB 3.42Å; G21-A25 PolarHBondContact O-N 3.35Å
22D87.6Confident86Confident74 Ų74103.6 Ų103.640%0.39652%0.523SS..Hα-helixtrans-63.6-47.2175.3-80.2-10.6000110.7L18 K24 A25 Y26L18-D22 WeakPolarHBondContact O-CB 3.12Å; L18-D22 PolarHBondContact O-N 2.84Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.78Å; D22-A25 CarbonylContact O-C 3.56Å; D22-A25 PolarHBondContact O-N 2.98Å; D22-A25 VanDerWaalsContact O-N 3.16Å; D22-Y26 HydrophobicContact CB-CD2 4.28Å; D22-Y26 HydrophobicContact CB-CE2 4.3Å; D22-Y26 WeakPolarHBondContact O-CB 3.12Å; D22-Y26 WeakPolarHBondContact O-CD2 3.45Å; D22-Y26 PolarHBondContact O-N 3.44Å
23R85.3Confident86.7Confident202 Ų202100.6 Ų100.676%0.76251%0.513SS*.Hα-helixtrans-59.5-40.4176.9-178.3-179.2169.7-173-3111.3L19 Y27L19-R23 WeakPolarHBondContact O-CB 3.02Å; L19-R23 PolarHBondContact O-N 3.3Å; R23-Y27 VanDerWaalsContact O-CB 3.31Å; R23-Y27 WeakPolarHBondContact O-CB 3.47Å; R23-Y27 PolarHBondContact O-N 3.48Å
24K88.8Confident87.3Confident133 Ų13397.9 Ų97.958%0.57851%0.507SS*.Hα-helixtrans-67.1-43.8175.4-171.1178.2177.2-173.60111E20 G21 D22 Y27 E28E20-K24 WeakPolarHBondContact O-CB 3.32Å; E20-K24 PolarHBondContact O-N 3.22Å; G21-K24 PolarHBondContact O-N 2.94Å; D22-K24 VanDerWaalsContact C-N 3.27Å; D22-K24 PolarHBondContact O-N 2.78Å; K24-Y27 PolarHBondContact O-N 2.95Å; K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 HydrophobicContact CG-CG 4.46Å; K24-E28 WeakPolarHBondContact O-CB 3.38Å; K24-E28 WeakPolarHBondContact O-CG 3.45Å; K24-E28 PolarHBondContact O-N 2.75Å
25A86.2Confident87.9Confident39 Ų3997.4 Ų97.432%0.32250%0.5SS..Hα-helixtrans-64.5-40.1175.600000112.4G21 D22 E28 N29G21-A25 WeakPolarHBondContact O-CB 3.42Å; G21-A25 PolarHBondContact O-N 3.35Å; D22-A25 CarbonylContact O-C 3.56Å; D22-A25 PolarHBondContact O-N 2.98Å; D22-A25 VanDerWaalsContact O-N 3.16Å; A25-E28 PolarHBondContact O-N 3.17Å; A25-N29 WeakPolarHBondContact O-CB 3.37Å; A25-N29 PolarHBondContact O-N 2.76Å; A25-N29 PolarHBondContact O-ND2 3.29Å
26Y88.6Confident88.5Confident170 Ų17096.8 Ų96.867%0.66750%0.499SS*.Hα-helixtrans-65.2-40.7173.3-83.5-67.5000111.6D22 S30D22-Y26 HydrophobicContact CB-CD2 4.28Å; D22-Y26 HydrophobicContact CB-CE2 4.3Å; D22-Y26 WeakPolarHBondContact O-CB 3.12Å; D22-Y26 WeakPolarHBondContact O-CD2 3.45Å; D22-Y26 PolarHBondContact O-N 3.44Å; Y26-S30 WeakPolarHBondContact O-CB 3.12Å; Y26-S30 PolarHBondContact O-N 2.68Å
27Y89.5Confident89.1Confident161 Ų16197.2 Ų97.263%0.63150%0.503SS*.Hα-helixtrans-68.3-44.5175.7-175.3-98.8000111.4R23 K24 S30 V31R23-Y27 VanDerWaalsContact O-CB 3.31Å; R23-Y27 WeakPolarHBondContact O-CB 3.47Å; R23-Y27 PolarHBondContact O-N 3.48Å; K24-Y27 PolarHBondContact O-N 2.95Å; Y27-S30 PolarHBondContact O-N 3.4Å; Y27-V31 HydrophobicContact CD1-CG2 4.01Å; Y27-V31 HydrophobicContact CD2-CG2 4.49Å; Y27-V31 HydrophobicContact CE1-CG2 3.62Å; Y27-V31 HydrophobicContact CE2-CG2 4.14Å; Y27-V31 HydrophobicContact CG-CG2 4.44Å; Y27-V31 WeakPolarHBondContact O-CB 3.24Å; Y27-V31 VanDerWaalsContact O-CG2 3.26Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 2.72Å
28E89.8Confident89.6Confident91 Ų91101.5 Ų101.543%0.42551%0.51SS..Hα-helixtrans-62.7-43.7175.4-75.8176.8-178.600111.2K24 A25 S30 V31 Q32K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 HydrophobicContact CG-CG 4.46Å; K24-E28 WeakPolarHBondContact O-CB 3.38Å; K24-E28 WeakPolarHBondContact O-CG 3.45Å; K24-E28 PolarHBondContact O-N 2.75Å; A25-E28 PolarHBondContact O-N 3.17Å; E28-S30 PolarHBondContact O-N 2.89Å; E28-V31 PolarHBondContact O-N 3.24Å; E28-Q32 VanDerWaalsContact O-CB 3.25Å; E28-Q32 WeakPolarHBondContact O-CB 3Å; E28-Q32 VanDerWaalsContact O-CG 3.26Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 3.46Å
29N91.2Very high90.1Very high97 Ų97102.5 Ų102.552%0.51951%0.51SS..Hα-helixtrans-64-38.9173.3-76.1-13.8000112A25 A33A25-N29 WeakPolarHBondContact O-CB 3.37Å; A25-N29 PolarHBondContact O-N 2.76Å; A25-N29 PolarHBondContact O-ND2 3.29Å; N29-A33 WeakPolarHBondContact O-CB 3.36Å; N29-A33 PolarHBondContact O-N 3.36Å
30S90.8Very high90.5Very high68 Ų68105.8 Ų105.848%0.47652%0.515SS..Hα-helixtrans-66.5-44.3175.8177.80000111.4Y26 Y27 E28 A33 V34Y26-S30 WeakPolarHBondContact O-CB 3.12Å; Y26-S30 PolarHBondContact O-N 2.68Å; Y27-S30 PolarHBondContact O-N 3.4Å; E28-S30 PolarHBondContact O-N 2.89Å; S30-A33 PolarHBondContact O-N 3.41Å; S30-V34 WeakPolarHBondContact O-CB 3.21Å; S30-V34 VanDerWaalsContact O-CG2 3.23Å; S30-V34 WeakPolarHBondContact O-CG2 3.27Å; S30-V34 PolarHBondContact O-N 2.69Å
31V92.6Very high90.9Very high70 Ų70103 Ų10342%0.42451%0.507SS..Hα-helixtrans-66.9-40.7177.11710000110.8Y27 E28 V34 S35Y27-V31 HydrophobicContact CD1-CG2 4.01Å; Y27-V31 HydrophobicContact CD2-CG2 4.49Å; Y27-V31 HydrophobicContact CE1-CG2 3.62Å; Y27-V31 HydrophobicContact CE2-CG2 4.14Å; Y27-V31 HydrophobicContact CG-CG2 4.44Å; Y27-V31 WeakPolarHBondContact O-CB 3.24Å; Y27-V31 VanDerWaalsContact O-CG2 3.26Å; Y27-V31 WeakPolarHBondContact O-CG2 3.31Å; Y27-V31 PolarHBondContact O-N 2.72Å; E28-V31 PolarHBondContact O-N 3.24Å; V31-V34 PolarHBondContact O-N 2.77Å; V31-S35 VanDerWaalsContact O-CB 3.26Å; V31-S35 WeakPolarHBondContact O-CB 3.29Å; V31-S35 PolarHBondContact O-N 2.77Å
32Q91.4Very high91.3Very high109 Ų109104.2 Ų104.251%0.50951%0.509SS..Hα-helixtrans-62.6-48.1172.5-77.71801.500110.9E28 V34 S35 E36E28-Q32 VanDerWaalsContact O-CB 3.25Å; E28-Q32 WeakPolarHBondContact O-CB 3Å; E28-Q32 VanDerWaalsContact O-CG 3.26Å; E28-Q32 WeakPolarHBondContact O-CG 3.46Å; E28-Q32 PolarHBondContact O-N 3.46Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 3.4Å; Q32-S35 CarbonylContact O-C 3.55Å; Q32-S35 WeakPolarHBondContact O-CA 3.19Å; Q32-S35 WeakPolarHBondContact O-CB 3.24Å; Q32-S35 PolarHBondContact O-N 3.36Å; Q32-S35 VanDerWaalsContact O-N 3.08Å; Q32-E36 WeakPolarHBondContact O-CB 3.5Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 2.8Å
33A92.5Very high91.6Very high40 Ų40105 Ų10533%0.33151%0.513SS..Hα-helixtrans-61.5-38.7176.300000112.3N29 S30 N37N29-A33 WeakPolarHBondContact O-CB 3.36Å; N29-A33 PolarHBondContact O-N 3.36Å; S30-A33 PolarHBondContact O-N 3.41Å; A33-N37 WeakPolarHBondContact O-CB 3.41Å; A33-N37 PolarHBondContact O-N 3.35Å; A33-N37 PolarHBondContact O-ND2 2.85Å
34V92.6Very high92Very high69 Ų6999.9 Ų99.942%0.41850%0.5SS..Hα-helixtrans-67.1-39.2173.6169.50000111S30 V31 Q32 K38S30-V34 WeakPolarHBondContact O-CB 3.21Å; S30-V34 VanDerWaalsContact O-CG2 3.23Å; S30-V34 WeakPolarHBondContact O-CG2 3.27Å; S30-V34 PolarHBondContact O-N 2.69Å; V31-V34 PolarHBondContact O-N 2.77Å; Q32-V34 VanDerWaalsContact C-N 3.33Å; Q32-V34 PolarHBondContact O-N 3.4Å; V34-K38 HydrophobicContact CG1-CD 4.28Å; V34-K38 WeakPolarHBondContact O-CB 3.43Å; V34-K38 VanDerWaalsContact O-CG 3.27Å; V34-K38 WeakPolarHBondContact O-CG 3.4Å; V34-K38 PolarHBondContact O-N 3.21Å
35S92.5Very high92.3Very high54 Ų54101.9 Ų101.938%0.37850%0.504SS..Hα-helixtrans-65.2-45.2175.5-174.40000111.7V31 Q32 K38 K39V31-S35 VanDerWaalsContact O-CB 3.26Å; V31-S35 WeakPolarHBondContact O-CB 3.29Å; V31-S35 PolarHBondContact O-N 2.77Å; Q32-S35 CarbonylContact O-C 3.55Å; Q32-S35 WeakPolarHBondContact O-CA 3.19Å; Q32-S35 WeakPolarHBondContact O-CB 3.24Å; Q32-S35 PolarHBondContact O-N 3.36Å; Q32-S35 VanDerWaalsContact O-N 3.08Å; S35-K38 PolarHBondContact O-N 2.81Å; S35-K39 WeakPolarHBondContact O-CG 3.48Å; S35-K39 PolarHBondContact O-N 3.1Å
36E94.3Very high92.6Very high124 Ų124104.5 Ų104.558%0.57951%0.512SS*.Hα-helixtrans-63.2-43.3174.1-72.9177.3179.900111.7Q32 K38 K39 R40Q32-E36 WeakPolarHBondContact O-CB 3.5Å; Q32-E36 WeakPolarHBondContact O-CG 3.33Å; Q32-E36 PolarHBondContact O-N 2.8Å; E36-K38 PolarHBondContact O-N 3.47Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.35Å; E36-R40 WeakPolarHBondContact O-CB 3.36Å; E36-R40 PolarHBondContact O-N 2.94Å
37N92.3Very high92.9Very high98 Ų98101.6 Ų101.652%0.52451%0.505SS..Hα-helixtrans-63.2-40.5174.1-77.6-34000111.7A33 R40 V41A33-N37 WeakPolarHBondContact O-CB 3.41Å; A33-N37 PolarHBondContact O-N 3.35Å; A33-N37 PolarHBondContact O-ND2 2.85Å; N37-R40 PolarHBondContact O-N 3.41Å; N37-V41 WeakPolarHBondContact O-CB 3.1Å; N37-V41 VanDerWaalsContact O-CG2 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.35Å; N37-V41 PolarHBondContact O-N 2.78Å
38K94.8Very high93.1Very high148 Ų14897.6 Ų97.664%0.64350%0.495SS*.Hα-helixtrans-62.7-42.5174-79.5176.4179.6-179.50111.7V34 S35 E36 V41 S42V34-K38 HydrophobicContact CG1-CD 4.28Å; V34-K38 WeakPolarHBondContact O-CB 3.43Å; V34-K38 VanDerWaalsContact O-CG 3.27Å; V34-K38 WeakPolarHBondContact O-CG 3.4Å; V34-K38 PolarHBondContact O-N 3.21Å; S35-K38 PolarHBondContact O-N 2.81Å; E36-K38 PolarHBondContact O-N 3.47Å; K38-V41 PolarHBondContact O-N 2.88Å; K38-S42 WeakPolarHBondContact O-CB 3.32Å; K38-S42 PolarHBondContact O-N 2.8Å
39K94.4Very high93.3Very high136 Ų13697.6 Ų97.659%0.59150%0.498SS*.Hα-helixtrans-60.8-49.5172.9-72.6177.4-178.1-179.80110.8S35 E36 V41 S42 D43S35-K39 WeakPolarHBondContact O-CG 3.48Å; S35-K39 PolarHBondContact O-N 3.1Å; E36-K39 WeakPolarHBondContact O-CB 3.36Å; E36-K39 PolarHBondContact O-N 3.35Å; K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 2.87Å; K39-S42 CarbonylContact O-C 3.55Å; K39-S42 WeakPolarHBondContact O-CA 3.47Å; K39-S42 VanDerWaalsContact O-CB 3.28Å; K39-S42 WeakPolarHBondContact O-CB 3.44Å; K39-S42 PolarHBondContact O-N 2.96Å; K39-D43 VanDerWaalsContact O-CG 3.25Å; K39-D43 PolarHBondContact O-N 3.41Å
40R94.6Very high93.4Very high172 Ų17299.3 Ų99.365%0.64950%0.5SS*.Hα-helixtrans-59.8-39.3177.7-169171.8-176132.21.4113E36 N37 D43 L44E36-R40 WeakPolarHBondContact O-CB 3.36Å; E36-R40 PolarHBondContact O-N 2.94Å; N37-R40 PolarHBondContact O-N 3.41Å; R40-D43 PolarHBondContact O-N 3.46Å; R40-L44 HydrophobicContact CG-CD1 4.35Å; R40-L44 WeakPolarHBondContact O-CB 3.2Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 3.23Å
41V92.7Very high93.5Very high71 Ų71101.3 Ų101.343%0.4351%0.505SS..Hα-helixtrans-66.4-39.7173.71690000111.1N37 K38 K39 R45N37-V41 WeakPolarHBondContact O-CB 3.1Å; N37-V41 VanDerWaalsContact O-CG2 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.35Å; N37-V41 PolarHBondContact O-N 2.78Å; K38-V41 PolarHBondContact O-N 2.88Å; K39-V41 VanDerWaalsContact C-N 3.33Å; K39-V41 PolarHBondContact O-N 2.87Å; V41-R45 WeakPolarHBondContact O-CB 3.2Å; V41-R45 VanDerWaalsContact O-CG 3.23Å; V41-R45 WeakPolarHBondContact O-CG 3.36Å; V41-R45 PolarHBondContact O-N 2.77Å
42S94.1Very high93.4Very high62 Ų62105.4 Ų105.443%0.43451%0.513SS..Hα-helixtrans-62.7-44.3173.9-171.60000111.4K38 K39 R45 L46K38-S42 WeakPolarHBondContact O-CB 3.32Å; K38-S42 PolarHBondContact O-N 2.8Å; K39-S42 CarbonylContact O-C 3.55Å; K39-S42 WeakPolarHBondContact O-CA 3.47Å; K39-S42 VanDerWaalsContact O-CB 3.28Å; K39-S42 WeakPolarHBondContact O-CB 3.44Å; K39-S42 PolarHBondContact O-N 2.96Å; S42-R45 PolarHBondContact O-N 2.82Å; S42-L46 WeakPolarHBondContact O-CG 3.19Å; S42-L46 PolarHBondContact O-N 3.32Å
43D94.5Very high93.3Very high91 Ų91103.6 Ų103.649%0.48751%0.507SS..Hα-helixtrans-63.9-46.2177.6-63.3-26.8000111.2K39 R40 R45 L46 E47K39-D43 VanDerWaalsContact O-CG 3.25Å; K39-D43 PolarHBondContact O-N 3.41Å; R40-D43 PolarHBondContact O-N 3.46Å; D43-R45 VanDerWaalsContact C-N 3.3Å; D43-R45 PolarHBondContact O-N 2.79Å; D43-L46 CarbonylContact O-C 3.58Å; D43-L46 WeakPolarHBondContact O-CB 3.27Å; D43-L46 PolarHBondContact O-N 3.45Å; D43-L46 VanDerWaalsContact O-N 3.15Å; D43-E47 WeakPolarHBondContact O-CG 3.21Å; D43-E47 PolarHBondContact O-N 3.46Å
44L94.2Very high93.2Very high94 Ų94105.4 Ų105.449%0.49251%0.51SS..Hα-helixtrans-62.2-35.6175.1-75.4171.8000112.4R40 N48R40-L44 HydrophobicContact CG-CD1 4.35Å; R40-L44 WeakPolarHBondContact O-CB 3.2Å; R40-L44 VanDerWaalsContact O-CG 3.27Å; R40-L44 WeakPolarHBondContact O-CG 3.4Å; R40-L44 PolarHBondContact O-N 3.23Å; L44-N48 VanDerWaalsContact O-CB 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.18Å; L44-N48 PolarHBondContact O-N 2.81Å
45R94.1Very high92.9Very high176 Ų176107 Ų10766%0.66452%0.516SS*.Hα-helixtrans-68.7-40.1174.2-77174.5178.8-164.70.1111.7V41 S42 D43 N48 N49V41-R45 WeakPolarHBondContact O-CB 3.2Å; V41-R45 VanDerWaalsContact O-CG 3.23Å; V41-R45 WeakPolarHBondContact O-CG 3.36Å; V41-R45 PolarHBondContact O-N 2.77Å; S42-R45 PolarHBondContact O-N 2.82Å; D43-R45 VanDerWaalsContact C-N 3.3Å; D43-R45 PolarHBondContact O-N 2.79Å; R45-N48 PolarHBondContact O-N 2.78Å; R45-N49 WeakPolarHBondContact O-CB 3.4Å; R45-N49 PolarHBondContact O-N 2.74Å
46L93.9Very high92.6Very high93 Ų93112.4 Ų112.449%0.48753%0.528SS..Hα-helixtrans-63.3-44.5173.1-78.2166.7000110.9S42 D43 N49 K50S42-L46 WeakPolarHBondContact O-CG 3.19Å; S42-L46 PolarHBondContact O-N 3.32Å; D43-L46 CarbonylContact O-C 3.58Å; D43-L46 WeakPolarHBondContact O-CB 3.27Å; D43-L46 PolarHBondContact O-N 3.45Å; D43-L46 VanDerWaalsContact O-N 3.15Å; L46-N49 PolarHBondContact O-N 2.85Å; L46-K50 WeakPolarHBondContact O-CB 3.28Å; L46-K50 VanDerWaalsContact O-CG 3.25Å; L46-K50 WeakPolarHBondContact O-CG 3.4Å; L46-K50 PolarHBondContact O-N 3.44Å
47E94Very high92.2Very high109 Ų109112.9 Ų112.951%0.50953%0.53SS..Hα-helixtrans-62.8-43174-74.5-173.8166.800111.9D43 N49 K50 L51D43-E47 WeakPolarHBondContact O-CG 3.21Å; D43-E47 PolarHBondContact O-N 3.46Å; E47-N49 VanDerWaalsContact C-N 3.34Å; E47-N49 PolarHBondContact O-N 3.25Å; E47-K50 CarbonylContact O-C 3.59Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 3.23Å; E47-L51 WeakPolarHBondContact O-CB 3.28Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.32Å; E47-L51 PolarHBondContact O-N 2.92Å
48N93.2Very high91.7Very high78 Ų78117 Ų11742%0.41754%0.538SS..Hα-helixtrans-64.2-40.5176.9-154.6-85.7000111.4L44 R45 L51 R52L44-N48 VanDerWaalsContact O-CB 3.29Å; L44-N48 WeakPolarHBondContact O-CB 3.18Å; L44-N48 PolarHBondContact O-N 2.81Å; R45-N48 PolarHBondContact O-N 2.78Å; N48-L51 PolarHBondContact O-N 3.25Å; N48-R52 WeakPolarHBondContact O-CB 3.45Å; N48-R52 VanDerWaalsContact O-CG 3.25Å; N48-R52 WeakPolarHBondContact O-CG 3.47Å; N48-R52 PolarHBondContact O-N 2.83Å; N48-R52 PolarHBondContact OD1-NE 2.8Å
49N94.4Very high91Very high91 Ų91114.3 Ų114.349%0.48753%0.531SS..Hα-helixtrans-64.4-41.8173.1-82.8-19.3000111.8R45 L46 E47 R52 N53R45-N49 WeakPolarHBondContact O-CB 3.4Å; R45-N49 PolarHBondContact O-N 2.74Å; L46-N49 PolarHBondContact O-N 2.85Å; E47-N49 VanDerWaalsContact C-N 3.34Å; E47-N49 PolarHBondContact O-N 3.25Å; N49-R52 PolarHBondContact O-N 3.34Å; N49-N53 WeakPolarHBondContact O-CB 3.28Å; N49-N53 VanDerWaalsContact O-CG 3.23Å; N49-N53 PolarHBondContact O-N 2.88Å
50K93.7Very high90.3Very high133 Ų133110 Ų11058%0.57852%0.518SS*.Hα-helixtrans-59.9-47.2172.7-74.2171.7-1781790111L46 E47 R52 N53 I54L46-K50 WeakPolarHBondContact O-CB 3.28Å; L46-K50 VanDerWaalsContact O-CG 3.25Å; L46-K50 WeakPolarHBondContact O-CG 3.4Å; L46-K50 PolarHBondContact O-N 3.44Å; E47-K50 CarbonylContact O-C 3.59Å; E47-K50 WeakPolarHBondContact O-CB 3.3Å; E47-K50 PolarHBondContact O-N 3.23Å; K50-R52 PolarHBondContact O-N 3.32Å; K50-N53 PolarHBondContact O-N 2.62Å; K50-I54 VanDerWaalsContact O-CG1 3.25Å; K50-I54 WeakPolarHBondContact O-CG1 3.37Å; K50-I54 PolarHBondContact O-N 3.44Å
51L92.7Very high89.7Confident109 Ų109104 Ų10457%0.57151%0.505SS*.Hα-helixtrans-63.9-39.6177.9-72.1171.8000112.3E47 N48 N53 I54 L55E47-L51 WeakPolarHBondContact O-CB 3.28Å; E47-L51 VanDerWaalsContact O-CG 3.3Å; E47-L51 WeakPolarHBondContact O-CG 3.32Å; E47-L51 PolarHBondContact O-N 2.92Å; N48-L51 PolarHBondContact O-N 3.25Å; L51-N53 VanDerWaalsContact C-N 3.35Å; L51-I54 PolarHBondContact O-N 3.04Å; L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.41Å; L51-L55 PolarHBondContact O-N 3.12Å
52R90.8Very high89.1Confident156 Ų156102.7 Ų102.759%0.58950%0.495SS*.Hα-helixtrans-64.6-39.1173.3-74.8175-175.1-132.7-1.3111.9N48 N49 K50 R56N48-R52 WeakPolarHBondContact O-CB 3.45Å; N48-R52 VanDerWaalsContact O-CG 3.25Å; N48-R52 WeakPolarHBondContact O-CG 3.47Å; N48-R52 PolarHBondContact O-N 2.83Å; N48-R52 PolarHBondContact OD1-NE 2.8Å; N49-R52 PolarHBondContact O-N 3.34Å; K50-R52 PolarHBondContact O-N 3.32Å; R52-R56 WeakPolarHBondContact O-CB 3.27Å; R52-R56 PolarHBondContact O-N 2.7Å
53N89.7Confident88.4Confident71 Ų71103.8 Ų103.838%0.3849%0.494SS..Hα-helixtrans-67.1-45.7175-72.4-12.6000110.9N49 K50 L51 L55 R56 E57N49-N53 WeakPolarHBondContact O-CB 3.28Å; N49-N53 VanDerWaalsContact O-CG 3.23Å; N49-N53 PolarHBondContact O-N 2.88Å; K50-N53 PolarHBondContact O-N 2.62Å; L51-N53 VanDerWaalsContact C-N 3.35Å; N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.23Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-R56 VanDerWaalsContact O-N 3.14Å; N53-E57 WeakPolarHBondContact O-CB 3.33Å; N53-E57 WeakPolarHBondContact O-CG 3.44Å; N53-E57 PolarHBondContact O-N 3.2Å
54I90.3Very high87.8Confident79 Ų79105.2 Ų105.241%0.40550%0.497SS..Hα-helixtrans-59.8-42.5174.8-67.9163.3000110.9K50 L51 E57 R58K50-I54 VanDerWaalsContact O-CG1 3.25Å; K50-I54 WeakPolarHBondContact O-CG1 3.37Å; K50-I54 PolarHBondContact O-N 3.44Å; L51-I54 PolarHBondContact O-N 3.04Å; I54-E57 PolarHBondContact O-N 3.4Å; I54-R58 WeakPolarHBondContact O-CB 3.24Å; I54-R58 WeakPolarHBondContact O-CG 3.4Å; I54-R58 PolarHBondContact O-N 3.46Å
55L86.7Confident87.2Confident102 Ų102105.6 Ų105.653%0.53450%0.498SS..Hα-helixtrans-63.5-42.5176.2-179.563000111.2L51 N53 R58 L59L51-L55 VanDerWaalsContact O-CB 3.3Å; L51-L55 WeakPolarHBondContact O-CB 3.41Å; L51-L55 PolarHBondContact O-N 3.12Å; N53-L55 VanDerWaalsContact C-N 3.32Å; N53-L55 PolarHBondContact O-N 3.23Å; L55-R58 PolarHBondContact O-N 3.14Å; L55-L59 HydrophobicContact CD1-CD1 4.21Å; L55-L59 HydrophobicContact CD1-CG 4.27Å; L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 2.82Å
56R85.6Confident86.5Confident167 Ų16797.6 Ų97.663%0.6347%0.469SS*.Hα-helixtrans-63.8-43.6176.2-166.2-172.1-55.3158.67.3111.4R52 N53 L59 S60R52-R56 WeakPolarHBondContact O-CB 3.27Å; R52-R56 PolarHBondContact O-N 2.7Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-R56 VanDerWaalsContact O-N 3.14Å; R56-L59 PolarHBondContact O-N 2.86Å; R56-S60 WeakPolarHBondContact O-CB 3.4Å; R56-S60 PolarHBondContact O-N 3.3Å
57E85.5Confident85.8Confident135 Ų13595.7 Ų95.763%0.63146%0.459SS*.Hα-helixtrans-61.6-44175.2-76.5172.7-170.600111.4N53 I54 S60 A61N53-E57 WeakPolarHBondContact O-CB 3.33Å; N53-E57 WeakPolarHBondContact O-CG 3.44Å; N53-E57 PolarHBondContact O-N 3.2Å; I54-E57 PolarHBondContact O-N 3.4Å; E57-S60 PolarHBondContact O-N 2.85Å; E57-A61 VanDerWaalsContact O-CB 3.24Å; E57-A61 WeakPolarHBondContact O-CB 3.42Å; E57-A61 PolarHBondContact O-N 3.46Å
58R82.9Confident85.2Confident183 Ų18397.6 Ų97.669%0.69147%0.467SS*.Hα-helixtrans-65.1-45.6176.6-76.6-171.4177.3-164-0.1112.8I54 L55 S60 A61 D62I54-R58 WeakPolarHBondContact O-CB 3.24Å; I54-R58 WeakPolarHBondContact O-CG 3.4Å; I54-R58 PolarHBondContact O-N 3.46Å; L55-R58 PolarHBondContact O-N 3.14Å; R58-S60 VanDerWaalsContact C-N 3.34Å; R58-A61 PolarHBondContact O-N 2.86Å; R58-D62 PolarHBondContact O-N 3.28Å
59L79.4Confident84.6Confident93 Ų9398.6 Ų98.649%0.48748%0.476SS..Hα-helixtrans-65.5-38.7176.6-70.7174000111.6L55 R56 D62 Q63L55-L59 HydrophobicContact CD1-CD1 4.21Å; L55-L59 HydrophobicContact CD1-CG 4.27Å; L55-L59 HydrophobicContact CG-CD1 4.08Å; L55-L59 WeakPolarHBondContact O-CB 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 2.82Å; R56-L59 PolarHBondContact O-N 2.86Å; L59-D62 PolarHBondContact O-N 2.81Å; L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 PolarHBondContact O-N 3.34Å
60S80.3Confident83.9Confident46 Ų4694.8 Ų94.832%0.32246%0.456SS..Hα-helixtrans-66.9-39.6174.8-163.90000111.3R56 E57 R58 Q63 H64R56-S60 WeakPolarHBondContact O-CB 3.4Å; R56-S60 PolarHBondContact O-N 3.3Å; E57-S60 PolarHBondContact O-N 2.85Å; R58-S60 VanDerWaalsContact C-N 3.34Å; S60-Q63 PolarHBondContact O-N 3.04Å; S60-H64 WeakPolarHBondContact O-CB 3.41Å; S60-H64 PolarHBondContact O-CD2 3.32Å; S60-H64 PolarHBondContact O-N 3.3Å; S60-H64 PolarHBondContact OG-NE2 2.85Å
61A80.9Confident83.1Confident45 Ų4593.8 Ų93.837%0.37245%0.453SS..Hα-helixtrans-61.9-47.5175.100000111E57 R58 Q63 H64 I65E57-A61 VanDerWaalsContact O-CB 3.24Å; E57-A61 WeakPolarHBondContact O-CB 3.42Å; E57-A61 PolarHBondContact O-N 3.46Å; R58-A61 PolarHBondContact O-N 2.86Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 2.96Å; A61-H64 PolarHBondContact O-N 3.33Å; A61-I65 WeakPolarHBondContact O-CD1 3.37Å; A61-I65 WeakPolarHBondContact O-CG1 3.26Å; A61-I65 PolarHBondContact O-N 3.23Å
62D81.4Confident82.5Confident44 Ų4495.2 Ų95.224%0.23546%0.461CS..Hα-helixtrans-57.9-46.5174-86.214.6000111.2R58 L59 H64 I65 I66 T84 G85R58-D62 PolarHBondContact O-N 3.28Å; L59-D62 PolarHBondContact O-N 2.81Å; D62-H64 PolarHBondContact O-N 2.94Å; D62-I65 PolarHBondContact O-N 3.44Å; D62-I66 WeakPolarHBondContact O-CB 3.28Å; D62-I66 WeakPolarHBondContact O-CD1 3.32Å; D62-I66 WeakPolarHBondContact O-CG1 3.24Å; D62-I66 PolarHBondContact O-N 3.03Å; D62-T84 VanDerWaalsContact OD2-CG2 3.28Å; D62-T84 WeakPolarHBondContact OD2-CG2 3.28Å; D62-G85 PolarHBondContact OD2-N 2.8Å
63Q79.1Confident81.8Confident85 Ų8593.6 Ų93.640%0.39746%0.455SS..Hα-helixtrans-64.9-37.9179-165.1173.913.300112.4L59 S60 A61 N67L59-Q63 WeakPolarHBondContact O-CB 3.43Å; L59-Q63 PolarHBondContact O-N 3.34Å; S60-Q63 PolarHBondContact O-N 3.04Å; A61-Q63 VanDerWaalsContact C-N 3.34Å; A61-Q63 PolarHBondContact O-N 2.96Å; Q63-N67 VanDerWaalsContact O-CB 3.3Å; Q63-N67 WeakPolarHBondContact O-CB 3.26Å; Q63-N67 VanDerWaalsContact O-CG 3.26Å; Q63-N67 PolarHBondContact O-N 3.43Å; Q63-N67 PolarHBondContact O-ND2 3.43Å; Q63-N67 VanDerWaalsContact O-ND2 3.14Å
64H80.8Confident81.1Confident121 Ų12195.7 Ų95.756%0.5646%0.462SS*.Hα-helixtrans-65.3-44.2173.5-78.3-57.4000111.9S60 A61 D62 N67 H68S60-H64 WeakPolarHBondContact O-CB 3.41Å; S60-H64 PolarHBondContact O-CD2 3.32Å; S60-H64 PolarHBondContact O-N 3.3Å; S60-H64 PolarHBondContact OG-NE2 2.85Å; A61-H64 PolarHBondContact O-N 3.33Å; D62-H64 PolarHBondContact O-N 2.94Å; H64-N67 PolarHBondContact O-N 2.83Å; H64-H68 VanDerWaalsContact O-CB 3.29Å; H64-H68 WeakPolarHBondContact O-CB 3.46Å; H64-H68 PolarHBondContact O-N 3.02Å
65I81.7Confident80.5Confident102 Ų10295.6 Ų95.652%0.52347%0.474SS..Hα-helixtrans-61.8-47.1176.7-66.9162.7000110A61 D62 N67 H68 V69A61-I65 WeakPolarHBondContact O-CD1 3.37Å; A61-I65 WeakPolarHBondContact O-CG1 3.26Å; A61-I65 PolarHBondContact O-N 3.23Å; D62-I65 PolarHBondContact O-N 3.44Å; I65-N67 VanDerWaalsContact C-N 3.33Å; I65-N67 PolarHBondContact O-N 3.29Å; I65-H68 PolarHBondContact O-N 2.92Å; I65-V69 HydrophobicContact CG2-CG2 4.17Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.28Å; I65-V69 WeakPolarHBondContact O-CG2 3.2Å; I65-V69 PolarHBondContact O-N 2.86Å
66I80.2Confident80Confident7 Ų791 Ų914%0.03645%0.45CS..Hα-helixtrans-59.4-45177.7-68.5162.9000110.6D62 L70 M80 K83 V88D62-I66 WeakPolarHBondContact O-CB 3.28Å; D62-I66 WeakPolarHBondContact O-CD1 3.32Å; D62-I66 WeakPolarHBondContact O-CG1 3.24Å; D62-I66 PolarHBondContact O-N 3.03Å; I66-L70 HydrophobicContact CG2-CD1 3.8Å; I66-L70 VanDerWaalsContact O-CB 3.22Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 WeakPolarHBondContact O-CG 3.31Å; I66-L70 PolarHBondContact O-N 3.28Å; I66-M80 HydrophobicContact CG2-CB 4.11Å; I66-K83 WeakPolarHBondContact CD1-O 3.45Å; I66-V88 HydrophobicContact CD1-CG2 3.73Å; I66-V88 HydrophobicContact CG1-CG2 4.07Å
67N79.1Confident79.6Confident53 Ų5385.6 Ų85.628%0.28343%0.429SS..Hα-helixtrans-68.2-36.2179.4-78.3-32.7000113.4Q63 H64 I65 H71 R77Q63-N67 VanDerWaalsContact O-CB 3.3Å; Q63-N67 WeakPolarHBondContact O-CB 3.26Å; Q63-N67 VanDerWaalsContact O-CG 3.26Å; Q63-N67 PolarHBondContact O-N 3.43Å; Q63-N67 PolarHBondContact O-ND2 3.43Å; Q63-N67 VanDerWaalsContact O-ND2 3.14Å; H64-N67 PolarHBondContact O-N 2.83Å; I65-N67 VanDerWaalsContact C-N 3.33Å; I65-N67 PolarHBondContact O-N 3.29Å; N67-H71 PolarHBondContact O-N 2.91Å; N67-R77 PolarHBondContact O-NH1 3.12Å; N67-R77 WeakPolarHBondContact OD1-CD 3.47Å; N67-R77 WeakPolarHBondContact OD1-CG 3.38Å
68H81.4Confident79.1Confident149 Ų14984 Ų8469%0.6943%0.428SS*.Hα-helixtrans-70.9-47.3177.4-177.8-87.1000111.4H64 I65H64-H68 VanDerWaalsContact O-CB 3.29Å; H64-H68 WeakPolarHBondContact O-CB 3.46Å; H64-H68 PolarHBondContact O-N 3.02Å; I65-H68 PolarHBondContact O-N 2.92Å
69V80.1Confident78.7Confident99 Ų9978 Ų7860%0.641%0.414SS*.Hα-helixtrans-71-40.3-178.4176.40000111.6I65 H71I65-V69 HydrophobicContact CG2-CG2 4.17Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.28Å; I65-V69 WeakPolarHBondContact O-CG2 3.2Å; I65-V69 PolarHBondContact O-N 2.86Å; V69-H71 VanDerWaalsContact C-N 3.26Å; V69-H71 PolarHBondContact O-N 3.42Å
70L78.7Confident78.5Confident12 Ų1273.6 Ų73.66%0.06339%0.391CS..THydrogen-bonded Turntrans-89.221.9-179.2-60.6176.4000113.4I66 N72 R73 D76 R77 M80 V88 L92I66-L70 HydrophobicContact CG2-CD1 3.8Å; I66-L70 VanDerWaalsContact O-CB 3.22Å; I66-L70 WeakPolarHBondContact O-CB 3.27Å; I66-L70 WeakPolarHBondContact O-CG 3.31Å; I66-L70 PolarHBondContact O-N 3.28Å; L70-N72 PolarHBondContact O-N 3.41Å; L70-N72 VanDerWaalsContact O-N 3.16Å; L70-R73 PolarHBondContact O-N 3.49Å; L70-D76 HydrophobicContact CD1-CB 4.25Å; L70-D76 HydrophobicContact CD2-CB 4.22Å; L70-R77 HydrophobicContact CB-CB 4.15Å; L70-R77 HydrophobicContact CB-CG 4.39Å; L70-M80 HydrophobicContact CD1-CB 4.02Å; L70-M80 HydrophobicContact CD1-CG 4.14Å; L70-V88 HydrophobicContact CD1-CG1 4.35Å; L70-L92 HydrophobicContact CD2-CD1 4.17Å; L70-L92 HydrophobicContact CD2-CD2 4.43Å
71H77.5Confident78Confident112 Ų11273.1 Ų73.152%0.51939%0.388SS..THydrogen-bonded Turntrans-62.4-29.2-174.896.977000113.8N67 V69 R77N67-H71 PolarHBondContact O-N 2.91Å; V69-H71 VanDerWaalsContact C-N 3.26Å; V69-H71 PolarHBondContact O-N 3.42Å; H71-R77 PolarHBondContact O-NH2 2.91Å
72N79.8Confident77.8Confident138 Ų13878.2 Ų78.274%0.73841%0.409SS*.THydrogen-bonded Turntrans-84.8-16.7178.2-71.4-42.2000113.4L70L70-N72 PolarHBondContact O-N 3.41Å; L70-N72 VanDerWaalsContact O-N 3.16Å
73R76.4Confident77.7Confident123 Ų12378.6 Ų78.646%0.46441%0.408SS..  trans-119.674.4-170-157.3171.9175.5-172.8-1.7110.5L70 A75 D76 R77L70-R73 PolarHBondContact O-N 3.49Å; R73-A75 VanDerWaalsContact C-N 3.29Å; R73-A75 PolarHBondContact O-N 2.82Å; R73-D76 HydrophobicContact CB-CB 4.12Å; R73-D76 VanDerWaalsContact CD-OD2 3.23Å; R73-D76 WeakPolarHBondContact CD-OD2 3.33Å; R73-D76 HydrophobicContact CG-CB 3.76Å; R73-D76 IonicContact CZ-OD1 3.79Å; R73-D76 IonicContact CZ-OD2 2.9Å; R73-D76 IonicContact NE-OD1 3.94Å; R73-D76 PolarHBondContact NE-OD1 3.39Å; R73-D76 IonicContact NE-OD2 2.91Å; R73-D76 PolarHBondContact NE-OD2 2.83Å; R73-D76 IonicContact NH1-OD2 3.13Å; R73-D76 PolarHBondContact NH1-OD2 3.03Å; R73-D76 VanDerWaalsContact NH1-OD2 3.13Å; R73-D76 IonicContact NH2-OD1 3.48Å; R73-D76 IonicContact NH2-OD2 3.63Å; R73-D76 PolarHBondContact NH2-OD2 3.4Å; R73-D76 WeakPolarHBondContact O-CB 3.3Å; R73-D76 PolarHBondContact O-N 2.83Å; R73-R77 PolarHBondContact O-N 2.9Å
74Q75.8Confident77.8Confident114 Ų11478.4 Ų78.453%0.53341%0.413SS..Hα-helixtrans-54.5-41.7-173.4-171.864.24.800113.4D76 R77 V78Q74-D76 VanDerWaalsContact C-N 3.29Å; Q74-D76 PolarHBondContact O-N 2.9Å; Q74-R77 WeakPolarHBondContact O-CB 3.34Å; Q74-R77 PolarHBondContact O-N 3.14Å; Q74-V78 WeakPolarHBondContact O-CG2 3.41Å; Q74-V78 PolarHBondContact O-N 3.39Å; Q74-V78 VanDerWaalsContact O-N 3.15Å
75A76.6Confident77.8Confident77 Ų7773.7 Ų73.764%0.63640%0.397SS*.Hα-helixtrans-62.5-36177.900000112.7R73 C79R73-A75 VanDerWaalsContact C-N 3.29Å; R73-A75 PolarHBondContact O-N 2.82Å; A75-C79 PolarHBondContact O-N 3Å
76D76.4Confident78Confident7 Ų772.3 Ų72.34%0.03740%0.401CS..Hα-helixtrans-76.3-39.6178.4-71.833.4000110L70 R73 Q74 V78 C79 M80 L92 R95L70-D76 HydrophobicContact CD1-CB 4.25Å; L70-D76 HydrophobicContact CD2-CB 4.22Å; R73-D76 HydrophobicContact CB-CB 4.12Å; R73-D76 VanDerWaalsContact CD-OD2 3.23Å; R73-D76 WeakPolarHBondContact CD-OD2 3.33Å; R73-D76 HydrophobicContact CG-CB 3.76Å; R73-D76 IonicContact CZ-OD1 3.79Å; R73-D76 IonicContact CZ-OD2 2.9Å; R73-D76 IonicContact NE-OD1 3.94Å; R73-D76 PolarHBondContact NE-OD1 3.39Å; R73-D76 IonicContact NE-OD2 2.91Å; R73-D76 PolarHBondContact NE-OD2 2.83Å; R73-D76 IonicContact NH1-OD2 3.13Å; R73-D76 PolarHBondContact NH1-OD2 3.03Å; R73-D76 VanDerWaalsContact NH1-OD2 3.13Å; R73-D76 IonicContact NH2-OD1 3.48Å; R73-D76 IonicContact NH2-OD2 3.63Å; R73-D76 PolarHBondContact NH2-OD2 3.4Å; R73-D76 WeakPolarHBondContact O-CB 3.3Å; R73-D76 PolarHBondContact O-N 2.83Å; Q74-D76 VanDerWaalsContact C-N 3.29Å; Q74-D76 PolarHBondContact O-N 2.9Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.4Å; D76-C79 PolarHBondContact O-N 3.32Å; D76-M80 VanDerWaalsContact O-CB 3.22Å; D76-M80 WeakPolarHBondContact O-CB 3.41Å; D76-M80 WeakPolarHBondContact O-CG 3.29Å; D76-M80 PolarHBondContact O-N 3.41Å; D76-M80 VanDerWaalsContact O-N 3.1Å; D76-L92 WeakPolarHBondContact OD2-CD2 3.33Å; D76-R95 IonicContact OD1-CZ 3.56Å; D76-R95 IonicContact OD1-NH1 3.86Å; D76-R95 PolarHBondContact OD1-NH1 3.12Å; D76-R95 IonicContact OD2-NH1 3.42Å; D76-R95 PolarHBondContact OD2-NH1 2.91Å
77R76.7Confident78.2Confident52 Ų5276.9 Ų76.920%0.19642%0.424CS..Hα-helixtrans-55.1-48.1176.3-160.9-157-42.3-108.11.1112.2N67 L70 H71 R73 Q74 C79 M80 S81N67-R77 PolarHBondContact O-NH1 3.12Å; N67-R77 WeakPolarHBondContact OD1-CD 3.47Å; N67-R77 WeakPolarHBondContact OD1-CG 3.38Å; L70-R77 HydrophobicContact CB-CB 4.15Å; L70-R77 HydrophobicContact CB-CG 4.39Å; H71-R77 PolarHBondContact O-NH2 2.91Å; R73-R77 PolarHBondContact O-N 2.9Å; Q74-R77 WeakPolarHBondContact O-CB 3.34Å; Q74-R77 PolarHBondContact O-N 3.14Å; R77-C79 PolarHBondContact O-N 2.86Å; R77-M80 PolarHBondContact O-N 3.11Å; R77-S81 PolarHBondContact O-N 2.92Å; R77-S81 VanDerWaalsContact O-N 3.1Å
78V75.6Confident78.5Confident101 Ų10174.8 Ų74.861%0.61241%0.413SS*.Hα-helixtrans-65.1-39-178.7176.30000111.7Q74 D76 M80Q74-V78 WeakPolarHBondContact O-CG2 3.41Å; Q74-V78 PolarHBondContact O-N 3.39Å; Q74-V78 VanDerWaalsContact O-N 3.15Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3.4Å; V78-M80 VanDerWaalsContact C-N 3.25Å; V78-M80 PolarHBondContact O-N 3.35Å
79C75.3Confident78.8Confident59 Ų5973.5 Ų73.540%0.39941%0.409SS..Hα-helixtrans-74.5-15.8179.9-170.80000113.6A75 D76 R77 K83A75-C79 PolarHBondContact O-N 3Å; D76-C79 PolarHBondContact O-N 3.32Å; R77-C79 PolarHBondContact O-N 2.86Å; C79-K83 WeakPolarHBondContact O-CE 2.97Å; C79-K83 PolarHBondContact O-NZ 3.05Å; C79-K83 VanDerWaalsContact O-NZ 3.1Å
80M73.9Confident79.2Confident0 Ų074.8 Ų74.80%041%0.409CS..Hα-helixtrans-116.8-2.5-169.4-59-67.3-139.100113.8I66 L70 D76 R77 V78 N82 K83 V88 L91 L92I66-M80 HydrophobicContact CG2-CB 4.11Å; L70-M80 HydrophobicContact CD1-CB 4.02Å; L70-M80 HydrophobicContact CD1-CG 4.14Å; D76-M80 VanDerWaalsContact O-CB 3.22Å; D76-M80 WeakPolarHBondContact O-CB 3.41Å; D76-M80 WeakPolarHBondContact O-CG 3.29Å; D76-M80 PolarHBondContact O-N 3.41Å; D76-M80 VanDerWaalsContact O-N 3.1Å; R77-M80 PolarHBondContact O-N 3.11Å; V78-M80 VanDerWaalsContact C-N 3.25Å; V78-M80 PolarHBondContact O-N 3.35Å; M80-N82 PolarHBondContact O-N 2.95Å; M80-N82 VanDerWaalsContact O-N 3.14Å; M80-K83 PolarHBondContact O-N 3.43Å; M80-K83 HydrophobicContact SD-CD 3.88Å; M80-V88 HydrophobicContact CB-CG1 4.27Å; M80-V88 HydrophobicContact CB-CG2 3.88Å; M80-V88 HydrophobicContact CE-CB 4.42Å; M80-V88 HydrophobicContact CE-CG1 3.9Å; M80-V88 HydrophobicContact CG-CG1 4.2Å; M80-V88 HydrophobicContact CG-CG2 4.34Å; M80-V88 HydrophobicContact SD-CB 4.43Å; M80-V88 HydrophobicContact SD-CG1 4.26Å; M80-V88 HydrophobicContact SD-CG2 4.11Å; M80-L91 HydrophobicContact CE-CB 3.54Å; M80-L91 HydrophobicContact CE-CD2 3.37Å; M80-L91 HydrophobicContact CE-CG 3.72Å; M80-L91 HydrophobicContact SD-CB 4.2Å; M80-L91 HydrophobicContact SD-CD2 3.29Å; M80-L91 WeakPolarHBondContact SD-CD2 3.49Å; M80-L91 HydrophobicContact SD-CG 4.24Å; M80-L92 HydrophobicContact CE-CD2 4.15Å; M80-L92 HydrophobicContact CE-CG 3.86Å
81S71.7Confident79.6Confident36 Ų3676.7 Ų76.725%0.25242%0.419SS..THydrogen-bonded Turntrans-62.8-22.8-174.566.50000114.7R77R77-S81 PolarHBondContact O-N 2.92Å; R77-S81 VanDerWaalsContact O-N 3.1Å
82N76.4Confident80.1Confident151 Ų15173.3 Ų73.381%0.80740%0.404SS*.THydrogen-bonded Turntrans-108.611.7-174.4-59.1-7.7000112.8M80M80-N82 PolarHBondContact O-N 2.95Å; M80-N82 VanDerWaalsContact O-N 3.14Å
83K79.7Confident80.7Confident53 Ų5371.3 Ų71.323%0.2339%0.394CS..SBendtrans-111.8146.8-174.7-65.2177.1-176.2161.60110.3I66 C79 M80 M87 V88 L91I66-K83 WeakPolarHBondContact CD1-O 3.45Å; C79-K83 WeakPolarHBondContact O-CE 2.97Å; C79-K83 PolarHBondContact O-NZ 3.05Å; C79-K83 VanDerWaalsContact O-NZ 3.1Å; M80-K83 PolarHBondContact O-N 3.43Å; M80-K83 HydrophobicContact SD-CD 3.88Å; K83-M87 HydrophobicContact CB-CB 4.35Å; K83-M87 HydrophobicContact CB-SD 4.27Å; K83-M87 HydrophobicContact CD-CG 4.31Å; K83-M87 HydrophobicContact CD-SD 4.05Å; K83-M87 HydrophobicContact CG-SD 3.98Å; K83-V88 HydrophobicContact CB-CG2 3.88Å; K83-L91 VanDerWaalsContact NZ-CD2 3.34Å
84T81Confident81.5Confident81 Ų8169.2 Ų69.250%0.49739%0.392SS..  trans-63.2149.2171.2-44.80000110.2D62 A86 M87 V88D62-T84 VanDerWaalsContact OD2-CG2 3.28Å; D62-T84 WeakPolarHBondContact OD2-CG2 3.28Å; T84-A86 PolarHBondContact O-N 2.85Å; T84-A86 VanDerWaalsContact O-N 3.1Å; T84-M87 PolarHBondContact O-N 3.13Å; T84-V88 PolarHBondContact O-N 2.89Å
85G79.8Confident82.2Confident22 Ų2267.7 Ų67.723%0.22738%0.381CS..Hα-helixtrans-51.1-38.3-179.200000114.3D62 M87 V88 I89D62-G85 PolarHBondContact OD2-N 2.8Å; G85-M87 PolarHBondContact O-N 2.86Å; G85-V88 PolarHBondContact O-N 2.92Å; G85-I89 WeakPolarHBondContact O-CG1 3.47Å; G85-I89 PolarHBondContact O-N 3.36Å; G85-I89 VanDerWaalsContact O-N 3.14Å
86A85.4Confident82.9Confident73 Ų7367.6 Ų67.660%0.60337%0.373SS*.Hα-helixtrans-62-41.8177.100000113.4T84 V88 I89 E90T84-A86 PolarHBondContact O-N 2.85Å; T84-A86 VanDerWaalsContact O-N 3.1Å; A86-V88 VanDerWaalsContact C-N 3.31Å; A86-V88 PolarHBondContact O-N 2.89Å; A86-I89 PolarHBondContact O-N 3.43Å; A86-E90 PolarHBondContact O-N 3.42Å; A86-E90 VanDerWaalsContact O-N 3.17Å
87M85.7Confident83.8Confident103 Ų10369.7 Ų69.751%0.50739%0.387SS..Hα-helixtrans-71.2-30179.5-169.5179.4-170.500111.7K83 T84 G85 L91K83-M87 HydrophobicContact CB-CB 4.35Å; K83-M87 HydrophobicContact CB-SD 4.27Å; K83-M87 HydrophobicContact CD-CG 4.31Å; K83-M87 HydrophobicContact CD-SD 4.05Å; K83-M87 HydrophobicContact CG-SD 3.98Å; T84-M87 PolarHBondContact O-N 3.13Å; G85-M87 PolarHBondContact O-N 2.86Å; M87-L91 WeakPolarHBondContact O-CB 3.33Å; M87-L91 PolarHBondContact O-N 3.45Å
88V84.5Confident84.6Confident9 Ų970.6 Ų70.66%0.05540%0.396CS..Hα-helixtrans-66.9-41.6173.9177.10000110.8I66 L70 M80 K83 T84 G85 A86 L91 L92I66-V88 HydrophobicContact CD1-CG2 3.73Å; I66-V88 HydrophobicContact CG1-CG2 4.07Å; L70-V88 HydrophobicContact CD1-CG1 4.35Å; M80-V88 HydrophobicContact CB-CG1 4.27Å; M80-V88 HydrophobicContact CB-CG2 3.88Å; M80-V88 HydrophobicContact CE-CB 4.42Å; M80-V88 HydrophobicContact CE-CG1 3.9Å; M80-V88 HydrophobicContact CG-CG1 4.2Å; M80-V88 HydrophobicContact CG-CG2 4.34Å; M80-V88 HydrophobicContact SD-CB 4.43Å; M80-V88 HydrophobicContact SD-CG1 4.26Å; M80-V88 HydrophobicContact SD-CG2 4.11Å; K83-V88 HydrophobicContact CB-CG2 3.88Å; T84-V88 PolarHBondContact O-N 2.89Å; G85-V88 PolarHBondContact O-N 2.92Å; A86-V88 VanDerWaalsContact C-N 3.31Å; A86-V88 PolarHBondContact O-N 2.89Å; V88-L91 PolarHBondContact O-N 3.38Å; V88-L92 HydrophobicContact CG1-CD1 3.87Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 2.93Å
89I86.9Confident85.6Confident121 Ų12168.4 Ų68.462%0.62139%0.389SS*.Hα-helixtrans-60.2-50.6175.7-66.5166000110.3G85 A86 L91 L92 D93G85-I89 WeakPolarHBondContact O-CG1 3.47Å; G85-I89 PolarHBondContact O-N 3.36Å; G85-I89 VanDerWaalsContact O-N 3.14Å; A86-I89 PolarHBondContact O-N 3.43Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 2.71Å; I89-L92 PolarHBondContact O-N 2.94Å; I89-D93 WeakPolarHBondContact O-CB 3.46Å; I89-D93 PolarHBondContact O-N 3.48Å
90E89.7Confident86.6Confident127 Ų12774.1 Ų74.159%0.59340%0.402SS*.Hα-helixtrans-60.3-42.2179.9-171-174.4172.100112.1A86 D93 N94A86-E90 PolarHBondContact O-N 3.42Å; A86-E90 VanDerWaalsContact O-N 3.17Å; E90-D93 PolarHBondContact O-N 3.2Å; E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 PolarHBondContact O-N 3.31Å; E90-N94 PolarHBondContact O-ND2 3.04Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å
91L87.8Confident87.7Confident51 Ų5180.5 Ų80.527%0.26743%0.429SS..Hα-helixtrans-72-36.1179.3-170.674.7000112.3M80 K83 M87 V88 I89 D93 R95M80-L91 HydrophobicContact CE-CB 3.54Å; M80-L91 HydrophobicContact CE-CD2 3.37Å; M80-L91 HydrophobicContact CE-CG 3.72Å; M80-L91 HydrophobicContact SD-CB 4.2Å; M80-L91 HydrophobicContact SD-CD2 3.29Å; M80-L91 WeakPolarHBondContact SD-CD2 3.49Å; M80-L91 HydrophobicContact SD-CG 4.24Å; K83-L91 VanDerWaalsContact NZ-CD2 3.34Å; M87-L91 WeakPolarHBondContact O-CB 3.33Å; M87-L91 PolarHBondContact O-N 3.45Å; V88-L91 PolarHBondContact O-N 3.38Å; I89-L91 VanDerWaalsContact C-N 3.34Å; I89-L91 PolarHBondContact O-N 2.71Å; L91-D93 VanDerWaalsContact C-N 3.33Å; L91-R95 WeakPolarHBondContact O-CG 3.43Å; L91-R95 PolarHBondContact O-N 2.93Å
92L87.8Confident89Confident41 Ų4187.3 Ų87.322%0.21545%0.45CS..Hα-helixtrans-65-39.5172.2-74.3173.1000111.1L70 D76 M80 V88 I89 R95 T96L70-L92 HydrophobicContact CD2-CD1 4.17Å; L70-L92 HydrophobicContact CD2-CD2 4.43Å; D76-L92 WeakPolarHBondContact OD2-CD2 3.33Å; M80-L92 HydrophobicContact CE-CD2 4.15Å; M80-L92 HydrophobicContact CE-CG 3.86Å; V88-L92 HydrophobicContact CG1-CD1 3.87Å; V88-L92 HydrophobicContact CG1-CG 4.31Å; V88-L92 WeakPolarHBondContact O-CB 3.48Å; V88-L92 VanDerWaalsContact O-CG 3.27Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 2.93Å; I89-L92 PolarHBondContact O-N 2.94Å; L92-R95 WeakPolarHBondContact O-CB 3.39Å; L92-R95 PolarHBondContact O-N 3.44Å; L92-T96 WeakPolarHBondContact O-CG2 3.26Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.28Å
93D92.8Very high90Very high96 Ų9684.3 Ų84.351%0.51343%0.433SS..Hα-helixtrans-67.7-39.5177.5-165.333.5000112.2I89 E90 L91 R95 T96 C97I89-D93 WeakPolarHBondContact O-CB 3.46Å; I89-D93 PolarHBondContact O-N 3.48Å; E90-D93 PolarHBondContact O-N 3.2Å; L91-D93 VanDerWaalsContact C-N 3.33Å; D93-R95 VanDerWaalsContact C-N 3.31Å; D93-R95 PolarHBondContact O-N 3.29Å; D93-T96 VanDerWaalsContact CA-OG1 3.29Å; D93-T96 WeakPolarHBondContact CA-OG1 3.39Å; D93-T96 PolarHBondContact O-N 3.42Å; D93-T96 PolarHBondContact O-OG1 2.9Å; D93-T96 PolarHBondContact OD1-OG1 3.27Å; D93-C97 VanDerWaalsContact O-CB 3.28Å; D93-C97 WeakPolarHBondContact O-CB 3.42Å; D93-C97 PolarHBondContact O-N 3.38Å; D93-C97 PolarHBondContact O-SG 2.95Å
94N92.1Very high90.8Very high79 Ų7985.9 Ų85.942%0.42244%0.444SS..Hα-helixtrans-60.4-41.8170.2-77.2-42.9000111.6E90 C97 D98E90-N94 WeakPolarHBondContact O-CB 3.48Å; E90-N94 PolarHBondContact O-N 3.31Å; E90-N94 PolarHBondContact O-ND2 3.04Å; E90-N94 VanDerWaalsContact O-ND2 3.08Å; N94-C97 PolarHBondContact O-N 2.88Å; N94-D98 WeakPolarHBondContact O-CB 3.34Å; N94-D98 PolarHBondContact O-N 2.89Å
95R89.6Confident91.6Very high82 Ų8285 Ų8531%0.30944%0.442SS..Hα-helixtrans-66.6-39.6176.8-76.9177.6170.9-166.4-3.9113D76 L91 L92 D93 D98 A99D76-R95 IonicContact OD1-CZ 3.56Å; D76-R95 IonicContact OD1-NH1 3.86Å; D76-R95 PolarHBondContact OD1-NH1 3.12Å; D76-R95 IonicContact OD2-NH1 3.42Å; D76-R95 PolarHBondContact OD2-NH1 2.91Å; L91-R95 WeakPolarHBondContact O-CG 3.43Å; L91-R95 PolarHBondContact O-N 2.93Å; L92-R95 WeakPolarHBondContact O-CB 3.39Å; L92-R95 PolarHBondContact O-N 3.44Å; D93-R95 VanDerWaalsContact C-N 3.31Å; D93-R95 PolarHBondContact O-N 3.29Å; R95-D98 PolarHBondContact O-N 2.87Å; R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.5Å
96T92.2Very high92.4Very high76 Ų7689.1 Ų89.147%0.46646%0.458SS..Hα-helixtrans-68.2-39.3175.153.50000110.7L92 D93 A99 R100L92-T96 WeakPolarHBondContact O-CG2 3.26Å; L92-T96 PolarHBondContact O-N 3.26Å; L92-T96 PolarHBondContact O-OG1 3.28Å; D93-T96 VanDerWaalsContact CA-OG1 3.29Å; D93-T96 WeakPolarHBondContact CA-OG1 3.39Å; D93-T96 PolarHBondContact O-N 3.42Å; D93-T96 PolarHBondContact O-OG1 2.9Å; D93-T96 PolarHBondContact OD1-OG1 3.27Å; T96-A99 PolarHBondContact O-N 2.93Å; T96-R100 VanDerWaalsContact O-CB 3.31Å; T96-R100 WeakPolarHBondContact O-CB 3.29Å; T96-R100 PolarHBondContact O-N 2.93Å
97C94.6Very high93Very high51 Ų5191.3 Ų91.335%0.34545%0.454SS..Hα-helixtrans-60.1-46.6173-75.70000111.7D93 N94 R100 K101D93-C97 VanDerWaalsContact O-CB 3.28Å; D93-C97 WeakPolarHBondContact O-CB 3.42Å; D93-C97 PolarHBondContact O-N 3.38Å; D93-C97 PolarHBondContact O-SG 2.95Å; N94-C97 PolarHBondContact O-N 2.88Å; C97-R100 PolarHBondContact O-N 3.37Å; C97-K101 WeakPolarHBondContact O-CG 3.44Å; C97-K101 PolarHBondContact O-N 3.46Å
98D95.2Very high93.6Very high71 Ų7191.7 Ų91.738%0.3845%0.454SS..Hα-helixtrans-65.9-41.1177.4-74.4-15000112.3N94 R95 R100 K101 R102N94-D98 WeakPolarHBondContact O-CB 3.34Å; N94-D98 PolarHBondContact O-N 2.89Å; R95-D98 PolarHBondContact O-N 2.87Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 3.19Å; D98-K101 PolarHBondContact O-N 3.39Å; D98-K101 IonicContact OD1-NZ 3.02Å; D98-R102 WeakPolarHBondContact O-CG 3.41Å; D98-R102 PolarHBondContact O-N 3.39Å
99A95.5Very high94.2Very high55 Ų5594.5 Ų94.546%0.45547%0.468SS..Hα-helixtrans-60.8-40.6172.800000111.5R95 T96 R102 L103R95-A99 WeakPolarHBondContact O-CB 3.44Å; R95-A99 PolarHBondContact O-N 3.5Å; T96-A99 PolarHBondContact O-N 2.93Å; A99-R102 PolarHBondContact O-N 2.67Å; A99-L103 WeakPolarHBondContact O-CB 3.36Å; A99-L103 PolarHBondContact O-N 3.21Å
100R97.2Very high94.7Very high178 Ų17892.1 Ų92.167%0.67246%0.459SS*.Hα-helixtrans-68.1-39.9176.7-170170.8-174.9178.40.4112.3T96 C97 D98 L103 N104T96-R100 VanDerWaalsContact O-CB 3.31Å; T96-R100 WeakPolarHBondContact O-CB 3.29Å; T96-R100 PolarHBondContact O-N 2.93Å; C97-R100 PolarHBondContact O-N 3.37Å; D98-R100 VanDerWaalsContact C-N 3.3Å; D98-R100 PolarHBondContact O-N 3.19Å; R100-L103 PolarHBondContact O-N 3.23Å; R100-N104 WeakPolarHBondContact O-CB 3.33Å; R100-N104 VanDerWaalsContact O-CG 3.23Å; R100-N104 PolarHBondContact O-N 2.89Å
101K97.3Very high95.1Very high134 Ų13489.4 Ų89.458%0.58345%0.451SS*.Hα-helixtrans-60.8-45.1172.7-72.7171-170.7165.60111.1C97 D98 N104 S105C97-K101 WeakPolarHBondContact O-CG 3.44Å; C97-K101 PolarHBondContact O-N 3.46Å; D98-K101 PolarHBondContact O-N 3.39Å; D98-K101 IonicContact OD1-NZ 3.02Å; K101-N104 PolarHBondContact O-N 3.25Å; K101-S105 WeakPolarHBondContact O-CB 3.5Å; K101-S105 PolarHBondContact O-N 2.9Å
102R97.4Very high95.5Very high180 Ų18092.1 Ų92.168%0.67946%0.462SS*.Hα-helixtrans-61.4-44.8174.9-70.7177.4-166.4167.94.8111.7D98 A99 S105 L106D98-R102 WeakPolarHBondContact O-CG 3.41Å; D98-R102 PolarHBondContact O-N 3.39Å; A99-R102 PolarHBondContact O-N 2.67Å; R102-S105 WeakPolarHBondContact O-CB 3.29Å; R102-S105 PolarHBondContact O-N 3.49Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.87Å
103L97.1Very high96Very high87 Ų8796.8 Ų96.846%0.45548%0.481SS..Hα-helixtrans-61-45.6176.2-179.864000111.7A99 R100 S105 L106 K107A99-L103 WeakPolarHBondContact O-CB 3.36Å; A99-L103 PolarHBondContact O-N 3.21Å; R100-L103 PolarHBondContact O-N 3.23Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 3.43Å; L103-L106 PolarHBondContact O-N 2.97Å; L103-K107 HydrophobicContact CD1-CG 4.45Å; L103-K107 HydrophobicContact CG-CD 4.33Å; L103-K107 WeakPolarHBondContact O-CB 3.42Å; L103-K107 WeakPolarHBondContact O-CG 3.34Å; L103-K107 PolarHBondContact O-N 2.93Å
104N97.4Very high96.2Very high86 Ų8696.3 Ų96.346%0.4648%0.475SS..Hα-helixtrans-62.8-40.1177.5-72.2-10.2000111.7R100 K101 K107 H108R100-N104 WeakPolarHBondContact O-CB 3.33Å; R100-N104 VanDerWaalsContact O-CG 3.23Å; R100-N104 PolarHBondContact O-N 2.89Å; K101-N104 PolarHBondContact O-N 3.25Å; N104-K107 PolarHBondContact O-N 3.49Å; N104-H108 WeakPolarHBondContact O-CB 3.49Å; N104-H108 PolarHBondContact O-N 3.38Å
105S97.5Very high96.4Very high64 Ų6498.4 Ų98.445%0.44848%0.481SS..Hα-helixtrans-61.4-47.3174176.20000111.8K101 R102 L103 H108 I109K101-S105 WeakPolarHBondContact O-CB 3.5Å; K101-S105 PolarHBondContact O-N 2.9Å; R102-S105 WeakPolarHBondContact O-CB 3.29Å; R102-S105 PolarHBondContact O-N 3.49Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 3.43Å; S105-H108 PolarHBondContact O-N 3.46Å; S105-I109 WeakPolarHBondContact O-CG1 3.22Å; S105-I109 PolarHBondContact O-N 2.9Å
106L97.3Very high96.8Very high107 Ų107100.8 Ų100.856%0.5649%0.493SS*.Hα-helixtrans-64.1-40.6176.9-71.7174.3000112.4R102 L103 I109 T110R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 2.87Å; L103-L106 PolarHBondContact O-N 2.97Å; L106-I109 PolarHBondContact O-N 3.4Å; L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 PolarHBondContact O-N 3.4Å; L106-T110 PolarHBondContact O-OG1 3.35Å
107K97.9Very high97Very high120 Ų120101 Ų10152%0.52249%0.491SS..Hα-helixtrans-60.4-45.7173.9-77.1-178.2175.6-171.60111.5L103 N104 I109 T110 V111L103-K107 HydrophobicContact CD1-CG 4.45Å; L103-K107 HydrophobicContact CG-CD 4.33Å; L103-K107 WeakPolarHBondContact O-CB 3.42Å; L103-K107 WeakPolarHBondContact O-CG 3.34Å; L103-K107 PolarHBondContact O-N 2.93Å; N104-K107 PolarHBondContact O-N 3.49Å; K107-I109 PolarHBondContact O-N 2.88Å; K107-T110 WeakPolarHBondContact O-CB 3.4Å; K107-T110 PolarHBondContact O-N 2.86Å; K107-V111 WeakPolarHBondContact O-CG2 3.19Å; K107-V111 PolarHBondContact O-N 3.46Å
108H97.6Very high97.1Very high111 Ų111104.6 Ų104.651%0.51450%0.503SS..Hα-helixtrans-61.2-43.8176.6174.1-103.7000112.2N104 S105 T110 V111 Q112N104-H108 WeakPolarHBondContact O-CB 3.49Å; N104-H108 PolarHBondContact O-N 3.38Å; S105-H108 PolarHBondContact O-N 3.46Å; H108-T110 VanDerWaalsContact C-N 3.3Å; H108-T110 PolarHBondContact O-N 3.38Å; H108-V111 PolarHBondContact O-N 3.18Å; H108-Q112 PolarHBondContact CE1-NE2 3.22Å; H108-Q112 PolarHBondContact NE2-NE2 3.45Å; H108-Q112 WeakPolarHBondContact O-CG 3.4Å; H108-Q112 PolarHBondContact O-N 2.87Å
109I97.6Very high97.2Very high68 Ų68106.9 Ų106.935%0.34951%0.511SS..Hα-helixtrans-61.3-40.6174.5-67.6165.6000111S105 L106 K107 Q112 K113S105-I109 WeakPolarHBondContact O-CG1 3.22Å; S105-I109 PolarHBondContact O-N 2.9Å; L106-I109 PolarHBondContact O-N 3.4Å; K107-I109 PolarHBondContact O-N 2.88Å; I109-Q112 PolarHBondContact O-N 3.01Å; I109-K113 HydrophobicContact CG2-CD 4.29Å; I109-K113 WeakPolarHBondContact O-CG 3.49Å; I109-K113 PolarHBondContact O-N 2.91Å
110T97.1Very high97.3Very high71 Ų71108.7 Ų108.744%0.43651%0.512SS..Hα-helixtrans-61.6-49.1178-54.60000110.7L106 K107 H108 Q112 K113 E114L106-T110 WeakPolarHBondContact O-CB 3.41Å; L106-T110 PolarHBondContact O-N 3.4Å; L106-T110 PolarHBondContact O-OG1 3.35Å; K107-T110 WeakPolarHBondContact O-CB 3.4Å; K107-T110 PolarHBondContact O-N 2.86Å; H108-T110 VanDerWaalsContact C-N 3.3Å; H108-T110 PolarHBondContact O-N 3.38Å; T110-Q112 VanDerWaalsContact C-N 3.33Å; T110-Q112 PolarHBondContact O-N 3.18Å; T110-K113 PolarHBondContact O-N 2.95Å; T110-K113 VanDerWaalsContact O-N 3.12Å; T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 3.36Å
111V97.9Very high97.3Very high70 Ų70102.3 Ų102.342%0.42449%0.489SS..Hα-helixtrans-60.9-39.8176.7172.50000111.8K107 H108 E114 K115K107-V111 WeakPolarHBondContact O-CG2 3.19Å; K107-V111 PolarHBondContact O-N 3.46Å; H108-V111 PolarHBondContact O-N 3.18Å; V111-E114 PolarHBondContact O-N 3.27Å; V111-K115 WeakPolarHBondContact O-CG 3.46Å; V111-K115 PolarHBondContact O-N 3.41Å
112Q97.4Very high97.2Very high108 Ų10898.8 Ų98.851%0.50548%0.482SS..Hα-helixtrans-63.5-41.2175.1-74.8-167.82.500112.4H108 I109 T110 K116H108-Q112 PolarHBondContact CE1-NE2 3.22Å; H108-Q112 PolarHBondContact NE2-NE2 3.45Å; H108-Q112 WeakPolarHBondContact O-CG 3.4Å; H108-Q112 PolarHBondContact O-N 2.87Å; I109-Q112 PolarHBondContact O-N 3.01Å; T110-Q112 VanDerWaalsContact C-N 3.33Å; T110-Q112 PolarHBondContact O-N 3.18Å; Q112-K116 PolarHBondContact O-N 3.3Å; Q112-K116 VanDerWaalsContact O-N 3.1Å
113K97.2Very high97.1Very high138 Ų13895.5 Ų95.560%0.647%0.474SS*.Hα-helixtrans-67.1-40176.8-73.2-178177.4-173.20111.6I109 T110 K116 I117I109-K113 HydrophobicContact CG2-CD 4.29Å; I109-K113 WeakPolarHBondContact O-CG 3.49Å; I109-K113 PolarHBondContact O-N 2.91Å; T110-K113 PolarHBondContact O-N 2.95Å; T110-K113 VanDerWaalsContact O-N 3.12Å; K113-K116 PolarHBondContact O-N 2.97Å; K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.42Å; K113-I117 PolarHBondContact O-N 3Å
114E97.3Very high97Very high86 Ų8699.3 Ų99.340%0.40248%0.483SS..Hα-helixtrans-60.3-48.3175.3-74170.516500111.4T110 V111 K116 I117 E118T110-E114 WeakPolarHBondContact O-CG 3.37Å; T110-E114 PolarHBondContact O-N 3.36Å; V111-E114 PolarHBondContact O-N 3.27Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.92Å; E114-I117 WeakPolarHBondContact O-CB 3.32Å; E114-I117 PolarHBondContact O-N 3.48Å; E114-I117 VanDerWaalsContact O-N 3.09Å; E114-E118 PolarHBondContact O-N 3.4Å
115K97.1Very high97Very high123 Ų123101.7 Ų101.754%0.53549%0.486SS..Hα-helixtrans-56.4-44.6173.9-73.1-178.5178-170.70112.7V111 I117 E118 E119V111-K115 WeakPolarHBondContact O-CG 3.46Å; V111-K115 PolarHBondContact O-N 3.41Å; K115-I117 VanDerWaalsContact C-N 3.3Å; K115-I117 PolarHBondContact O-N 2.89Å; K115-E118 PolarHBondContact O-N 3.44Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.45Å
116K96.8Very high96.9Very high132 Ų132104.3 Ų104.357%0.57449%0.491SS*.Hα-helixtrans-64-35.7177.8-172171.2-176.3173.20112.4Q112 K113 E114 I120Q112-K116 PolarHBondContact O-N 3.3Å; Q112-K116 VanDerWaalsContact O-N 3.1Å; K113-K116 PolarHBondContact O-N 2.97Å; E114-K116 VanDerWaalsContact C-N 3.33Å; E114-K116 PolarHBondContact O-N 2.92Å; K116-I120 HydrophobicContact CG-CD1 4.11Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 2.93Å
117I97.1Very high96.7Very high80 Ų80103.7 Ų103.741%0.4149%0.488SS..Hα-helixtrans-66.6-43.6175-72.6166.2000110.3K113 E114 K115 I120 K121K113-I117 VanDerWaalsContact O-CG1 3.3Å; K113-I117 WeakPolarHBondContact O-CG1 3.42Å; K113-I117 PolarHBondContact O-N 3Å; E114-I117 WeakPolarHBondContact O-CB 3.32Å; E114-I117 PolarHBondContact O-N 3.48Å; E114-I117 VanDerWaalsContact O-N 3.09Å; K115-I117 VanDerWaalsContact C-N 3.3Å; K115-I117 PolarHBondContact O-N 2.89Å; I117-I120 PolarHBondContact O-N 2.94Å; I117-K121 HydrophobicContact CG2-CD 3.79Å; I117-K121 HydrophobicContact CG2-CG 4.42Å; I117-K121 WeakPolarHBondContact O-CB 3.42Å; I117-K121 VanDerWaalsContact O-CG 3.26Å; I117-K121 WeakPolarHBondContact O-CG 3.34Å; I117-K121 PolarHBondContact O-N 2.94Å
118E96.7Very high96.6Very high128 Ų128100 Ų10060%0.59848%0.475SS*.Hα-helixtrans-61.6-43.4176-70.9172.3-178.200112E114 K115 K121 S122E114-E118 PolarHBondContact O-N 3.4Å; K115-E118 PolarHBondContact O-N 3.44Å; E118-K121 PolarHBondContact O-N 2.9Å; E118-S122 WeakPolarHBondContact O-CB 3.44Å; E118-S122 PolarHBondContact O-N 2.93Å
119E97.1Very high96.3Very high119 Ų119100.7 Ų100.756%0.55648%0.478SS*.Hα-helixtrans-58.3-50174.2-73.8169-172.500111.6K115 K121 S122 Q123K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.45Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 3.3Å; E119-S122 WeakPolarHBondContact O-CB 3.5Å; E119-S122 PolarHBondContact O-N 3.39Å; E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.48Å
120I96.5Very high96.1Very high92 Ų92102.7 Ų102.747%0.47249%0.489SS..Hα-helixtrans-63.7-39.6179.2-69.3168.6000111K116 I117 S122 Q123 Y124K116-I120 HydrophobicContact CG-CD1 4.11Å; K116-I120 VanDerWaalsContact O-CG1 3.27Å; K116-I120 WeakPolarHBondContact O-CG1 3.41Å; K116-I120 PolarHBondContact O-N 2.93Å; I117-I120 PolarHBondContact O-N 2.94Å; I120-S122 VanDerWaalsContact C-N 3.33Å; I120-Q123 PolarHBondContact O-N 3.41Å; I120-Y124 WeakPolarHBondContact O-CB 3.24Å; I120-Y124 PolarHBondContact O-N 3.39Å
121K97Very high95.9Very high44 Ų44103.9 Ų103.919%0.19149%0.492CS..Hα-helixtrans-65.9-36.8176.1-75.7171.8173.6161.20112.2I117 E118 E119 Y124 R125 K443 D444I117-K121 HydrophobicContact CG2-CD 3.79Å; I117-K121 HydrophobicContact CG2-CG 4.42Å; I117-K121 WeakPolarHBondContact O-CB 3.42Å; I117-K121 VanDerWaalsContact O-CG 3.26Å; I117-K121 WeakPolarHBondContact O-CG 3.34Å; I117-K121 PolarHBondContact O-N 2.94Å; E118-K121 PolarHBondContact O-N 2.9Å; E119-K121 VanDerWaalsContact C-N 3.33Å; E119-K121 PolarHBondContact O-N 3.3Å; K121-Y124 PolarHBondContact O-N 3.17Å; K121-R125 WeakPolarHBondContact O-CG 3.27Å; K121-R125 PolarHBondContact O-N 3.43Å; K121-K443 VanDerWaalsContact CE-O 3.23Å; K121-K443 WeakPolarHBondContact CE-O 3.48Å; K121-K443 PolarHBondContact NZ-O 3.46Å; K121-D444 HydrophobicContact CD-CB 4.28Å; K121-D444 WeakPolarHBondContact CD-OD2 3.47Å; K121-D444 VanDerWaalsContact CE-CG 3.42Å; K121-D444 WeakPolarHBondContact CE-OD2 3.37Å; K121-D444 IonicContact NZ-OD1 2.93Å; K121-D444 PolarHBondContact NZ-OD1 3.33Å; K121-D444 IonicContact NZ-OD2 2.71Å; K121-D444 PolarHBondContact NZ-OD2 3.16Å
122S95.7Very high95.5Very high61 Ų61106.4 Ų106.443%0.42750%0.499SS..Hα-helixtrans-63.6-45.7173.1-163.60000111.6E118 E119 I120 Y124 R125 E126E118-S122 WeakPolarHBondContact O-CB 3.44Å; E118-S122 PolarHBondContact O-N 2.93Å; E119-S122 WeakPolarHBondContact O-CB 3.5Å; E119-S122 PolarHBondContact O-N 3.39Å; I120-S122 VanDerWaalsContact C-N 3.33Å; S122-Y124 VanDerWaalsContact C-N 3.32Å; S122-Y124 PolarHBondContact O-N 2.83Å; S122-R125 PolarHBondContact O-N 2.86Å; S122-E126 PolarHBondContact O-N 3.05Å
123Q96.6Very high95.1Very high111 Ų111106.4 Ų106.452%0.51950%0.495SS..Hα-helixtrans-61.9-40.7175.6-69.6172.72.100111.8E119 I120 E126 I127E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.48Å; I120-Q123 PolarHBondContact O-N 3.41Å; Q123-E126 PolarHBondContact O-N 3.41Å; Q123-I127 VanDerWaalsContact O-CG1 3.27Å; Q123-I127 WeakPolarHBondContact O-CG1 3.37Å; Q123-I127 PolarHBondContact O-N 2.91Å
124Y94.5Very high94.7Very high166 Ų166101 Ų10165%0.65148%0.478SS*.Hα-helixtrans-62.9-43.6176.9-178.3-95.1000112.1I120 K121 S122 I127 T128I120-Y124 WeakPolarHBondContact O-CB 3.24Å; I120-Y124 PolarHBondContact O-N 3.39Å; K121-Y124 PolarHBondContact O-N 3.17Å; S122-Y124 VanDerWaalsContact C-N 3.32Å; S122-Y124 PolarHBondContact O-N 2.83Å; Y124-I127 PolarHBondContact O-N 2.94Å; Y124-T128 WeakPolarHBondContact O-CB 3.49Å; Y124-T128 PolarHBondContact O-N 2.92Å; Y124-T128 PolarHBondContact O-OG1 2.89Å
125R96.1Very high94.3Very high137 Ų137101.7 Ų101.752%0.51749%0.485SS..Hα-helixtrans-60.9-47.2174.8-74.9-172.4-64.4-109.5-0.3111.7K121 S122 I127 T128 E129K121-R125 WeakPolarHBondContact O-CG 3.27Å; K121-R125 PolarHBondContact O-N 3.43Å; S122-R125 PolarHBondContact O-N 2.86Å; R125-I127 PolarHBondContact O-N 3.47Å; R125-T128 PolarHBondContact O-N 2.93Å; R125-T128 VanDerWaalsContact O-N 3.16Å; R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 3.35Å
126E95.3Very high93.8Very high119 Ų11996.8 Ų96.856%0.55647%0.467SS*.Hα-helixtrans-58.9-45.6177.7-175.2179.1-173.900111.9S122 Q123 T128 E129 L130S122-E126 PolarHBondContact O-N 3.05Å; Q123-E126 PolarHBondContact O-N 3.41Å; E126-T128 VanDerWaalsContact C-N 3.34Å; E126-T128 PolarHBondContact O-N 3.48Å; E126-E129 PolarHBondContact O-N 2.93Å; E126-L130 HydrophobicContact CG-CD1 4.37Å; E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 VanDerWaalsContact O-CG 3.28Å; E126-L130 WeakPolarHBondContact O-CG 3.46Å; E126-L130 PolarHBondContact O-N 2.95Å
127I94.9Very high93.3Very high94 Ų9492 Ų9248%0.48245%0.449SS..Hα-helixtrans-63.5-41.1176.6-68.4166.8000111Q123 Y124 R125 L130 I131Q123-I127 VanDerWaalsContact O-CG1 3.27Å; Q123-I127 WeakPolarHBondContact O-CG1 3.37Å; Q123-I127 PolarHBondContact O-N 2.91Å; Y124-I127 PolarHBondContact O-N 2.94Å; R125-I127 PolarHBondContact O-N 3.47Å; I127-L130 PolarHBondContact O-N 3.31Å; I127-I131 HydrophobicContact CG2-CD1 3.75Å; I127-I131 HydrophobicContact CG2-CG1 4.39Å; I127-I131 VanDerWaalsContact O-CG1 3.25Å; I127-I131 WeakPolarHBondContact O-CG1 3.32Å; I127-I131 PolarHBondContact O-N 3.27Å
128T95.1Very high92.7Very high41 Ų4198.1 Ų98.125%0.25247%0.469SS..Hα-helixtrans-64-46.2178.9-54.70000110.9Y124 R125 E126 L130 I131 E132Y124-T128 WeakPolarHBondContact O-CB 3.49Å; Y124-T128 PolarHBondContact O-N 2.92Å; Y124-T128 PolarHBondContact O-OG1 2.89Å; R125-T128 PolarHBondContact O-N 2.93Å; R125-T128 VanDerWaalsContact O-N 3.16Å; E126-T128 VanDerWaalsContact C-N 3.34Å; E126-T128 PolarHBondContact O-N 3.48Å; T128-L130 VanDerWaalsContact C-N 3.33Å; T128-L130 PolarHBondContact O-N 3.42Å; T128-I131 PolarHBondContact O-N 3.01Å; T128-E132 WeakPolarHBondContact O-CG 3.48Å; T128-E132 PolarHBondContact O-N 3.46Å
129E92.2Very high92.2Very high127 Ų12795.6 Ų95.659%0.59347%0.47SS*.Hα-helixtrans-60.7-40.1175.6-72.8175.3-167.400112R125 E126 E132 Y133R125-E129 WeakPolarHBondContact O-CG 3.31Å; R125-E129 PolarHBondContact O-N 3.35Å; E126-E129 PolarHBondContact O-N 2.93Å; E129-E132 PolarHBondContact O-N 3.38Å; E129-Y133 WeakPolarHBondContact O-CB 3.37Å; E129-Y133 PolarHBondContact O-N 2.93Å
130L93Very high91.4Very high110 Ų11090.7 Ų90.758%0.57645%0.451SS*.Hα-helixtrans-65.5-40.6175.2-73.4172.4000112.5E126 I127 T128 Y133 G134E126-L130 HydrophobicContact CG-CD1 4.37Å; E126-L130 WeakPolarHBondContact O-CB 3.45Å; E126-L130 VanDerWaalsContact O-CG 3.28Å; E126-L130 WeakPolarHBondContact O-CG 3.46Å; E126-L130 PolarHBondContact O-N 2.95Å; I127-L130 PolarHBondContact O-N 3.31Å; T128-L130 VanDerWaalsContact C-N 3.33Å; T128-L130 PolarHBondContact O-N 3.42Å; L130-Y133 PolarHBondContact O-N 3.29Å; L130-G134 PolarHBondContact O-N 3.2Å
131I91.6Very high91Very high96 Ų9690.3 Ų90.349%0.49245%0.453SS..Hα-helixtrans-65.2-45175.8-70166.6000110.1I127 T128 Y133 G134 N135I127-I131 HydrophobicContact CG2-CD1 3.75Å; I127-I131 HydrophobicContact CG2-CG1 4.39Å; I127-I131 VanDerWaalsContact O-CG1 3.25Å; I127-I131 WeakPolarHBondContact O-CG1 3.32Å; I127-I131 PolarHBondContact O-N 3.27Å; T128-I131 PolarHBondContact O-N 3.01Å; I131-Y133 PolarHBondContact O-N 3.46Å; I131-G134 PolarHBondContact O-N 3.07Å; I131-N135 WeakPolarHBondContact O-CB 3.31Å; I131-N135 VanDerWaalsContact O-CG 3.24Å; I131-N135 PolarHBondContact O-N 2.86Å; I131-N135 PolarHBondContact O-ND2 2.9Å
132E89.6Confident90.5Very high122 Ų12290 Ų9057%0.5745%0.454SS*.Hα-helixtrans-61.6-43176.2-73.9179.7-179.300111.7T128 E129 N135 A136T128-E132 WeakPolarHBondContact O-CG 3.48Å; T128-E132 PolarHBondContact O-N 3.46Å; E129-E132 PolarHBondContact O-N 3.38Å; E132-N135 PolarHBondContact O-N 3.08Å; E132-A136 WeakPolarHBondContact O-CB 3.41Å; E132-A136 PolarHBondContact O-N 3.06Å
133Y89.1Confident90.3Very high108 Ų10896.2 Ų96.242%0.42447%0.473SS..Hα-helixtrans-62.1-44.6174.5-172.8-95.5000111.8E129 L130 I131 A136 T137 N142 E144E129-Y133 WeakPolarHBondContact O-CB 3.37Å; E129-Y133 PolarHBondContact O-N 2.93Å; L130-Y133 PolarHBondContact O-N 3.29Å; I131-Y133 PolarHBondContact O-N 3.46Å; Y133-A136 PolarHBondContact O-N 2.93Å; Y133-T137 WeakPolarHBondContact O-CB 3.27Å; Y133-T137 PolarHBondContact O-N 2.98Å; Y133-T137 PolarHBondContact O-OG1 2.77Å; Y133-T137 VanDerWaalsContact O-OG1 3.08Å; Y133-N142 VanDerWaalsContact CD2-ND2 3.27Å; Y133-N142 WeakPolarHBondContact CD2-ND2 3.37Å; Y133-N142 WeakPolarHBondContact CE2-ND2 3.44Å; Y133-N142 PolarHBondContact O-ND2 3.45Å; Y133-E144 WeakPolarHBondContact CE1-OE2 3.34Å; Y133-E144 PolarHBondContact OH-OE1 3.42Å; Y133-E144 PolarHBondContact OH-OE2 2.92Å
134G89Confident89.8Confident24 Ų2495.9 Ų95.925%0.24747%0.472CS..Hα-helixtrans-59.6-50.7175.100000111.9L130 I131 A136 T137 Y138L130-G134 PolarHBondContact O-N 3.2Å; I131-G134 PolarHBondContact O-N 3.07Å; G134-A136 VanDerWaalsContact C-N 3.32Å; G134-A136 PolarHBondContact O-N 3.38Å; G134-T137 WeakPolarHBondContact O-CB 3.47Å; G134-T137 PolarHBondContact O-N 3.45Å; G134-T137 VanDerWaalsContact O-N 3.09Å; G134-Y138 WeakPolarHBondContact O-CD2 3.18Å; G134-Y138 PolarHBondContact O-N 2.87Å
135N89.5Confident89.7Confident101 Ų10188 Ų8854%0.5444%0.441SS..Hα-helixtrans-59.4-41.1177.2-73.3-19.4000111.9I131 E132 T137 Y138 A139I131-N135 WeakPolarHBondContact O-CB 3.31Å; I131-N135 VanDerWaalsContact O-CG 3.24Å; I131-N135 PolarHBondContact O-N 2.86Å; I131-N135 PolarHBondContact O-ND2 2.9Å; E132-N135 PolarHBondContact O-N 3.08Å; N135-T137 VanDerWaalsContact C-N 3.33Å; N135-T137 PolarHBondContact O-N 2.98Å; N135-Y138 PolarHBondContact O-N 3.46Å; N135-A139 VanDerWaalsContact O-CB 3.26Å; N135-A139 WeakPolarHBondContact O-CB 3.48Å; N135-A139 PolarHBondContact O-N 3.5Å
136A86.2Confident89.5Confident20 Ų2087.3 Ų87.317%0.16544%0.441CS..Hα-helixtrans-69.5-28.9176.400000113E132 Y133 G134 G140 T141 N142E132-A136 WeakPolarHBondContact O-CB 3.41Å; E132-A136 PolarHBondContact O-N 3.06Å; Y133-A136 PolarHBondContact O-N 2.93Å; G134-A136 VanDerWaalsContact C-N 3.32Å; G134-A136 PolarHBondContact O-N 3.38Å; A136-G140 PolarHBondContact O-N 3.18Å; A136-G140 VanDerWaalsContact O-N 3.17Å; A136-T141 WeakPolarHBondContact CA-OG1 3.42Å; A136-T141 WeakPolarHBondContact CB-OG1 3.04Å; A136-T141 PolarHBondContact O-N 3.05Å; A136-T141 PolarHBondContact O-OG1 3.36Å; A136-T141 VanDerWaalsContact O-OG1 3.07Å; A136-N142 HydrophobicContact CB-CB 4.43Å; A136-N142 VanDerWaalsContact CB-CG 3.43Å; A136-N142 VanDerWaalsContact CB-ND2 3.28Å; A136-N142 WeakPolarHBondContact CB-ND2 3.5Å; A136-N142 WeakPolarHBondContact CB-OD1 3.36Å; A136-N142 PolarHBondContact O-N 3.25Å
137T87.2Confident89.3Confident32 Ų3287.3 Ų87.320%0.19644%0.443CS..Hα-helixtrans-70.5-44.3170.4-650000111.3Y133 G134 N135 G140 N142 E144 G145Y133-T137 WeakPolarHBondContact O-CB 3.27Å; Y133-T137 PolarHBondContact O-N 2.98Å; Y133-T137 PolarHBondContact O-OG1 2.77Å; Y133-T137 VanDerWaalsContact O-OG1 3.08Å; G134-T137 WeakPolarHBondContact O-CB 3.47Å; G134-T137 PolarHBondContact O-N 3.45Å; G134-T137 VanDerWaalsContact O-N 3.09Å; N135-T137 VanDerWaalsContact C-N 3.33Å; N135-T137 PolarHBondContact O-N 2.98Å; T137-G140 PolarHBondContact O-N 2.99Å; T137-G140 VanDerWaalsContact O-N 3.17Å; T137-N142 PolarHBondContact OG1-ND2 2.94Å; T137-E144 HydrophobicContact CG2-CB 4.17Å; T137-G145 VanDerWaalsContact O-CA 3.22Å; T137-G145 WeakPolarHBondContact O-CA 3.47Å
138Y83.4Confident89.2Confident208 Ų20887.1 Ų87.182%0.81644%0.442SS*.Hα-helixtrans-63.5-40.2173.4-80.2-72.4000112.9G134 N135 G140G134-Y138 WeakPolarHBondContact O-CD2 3.18Å; G134-Y138 PolarHBondContact O-N 2.87Å; N135-Y138 PolarHBondContact O-N 3.46Å; Y138-G140 PolarHBondContact O-N 2.92Å
139A85.5Confident89Confident75 Ų7592.9 Ų92.962%0.6246%0.46SS*.THydrogen-bonded Turntrans-72.4-9.9176.400000113.3N135 T141N135-A139 VanDerWaalsContact O-CB 3.26Å; N135-A139 WeakPolarHBondContact O-CB 3.48Å; N135-A139 PolarHBondContact O-N 3.5Å; A139-T141 VanDerWaalsContact C-N 3.31Å; A139-T141 HydrophobicContact CB-CG2 4.33Å; A139-T141 PolarHBondContact O-N 3.03Å
140G81.3Confident89.1Confident16 Ų1692 Ų9217%0.16546%0.459CS..THydrogen-bonded Turntrans7318-179.800000114.5A136 T137 Y138 K146A136-G140 PolarHBondContact O-N 3.18Å; A136-G140 VanDerWaalsContact O-N 3.17Å; T137-G140 PolarHBondContact O-N 2.99Å; T137-G140 VanDerWaalsContact O-N 3.17Å; Y138-G140 PolarHBondContact O-N 2.92Å; G140-K146 WeakPolarHBondContact O-CG 3.32Å
141T87.2Confident89.2Confident85 Ų8591.4 Ų91.452%0.52146%0.456SS..  trans-85.3-34.8178.9550000111.5A136 A139 K146A136-T141 WeakPolarHBondContact CA-OG1 3.42Å; A136-T141 WeakPolarHBondContact CB-OG1 3.04Å; A136-T141 PolarHBondContact O-N 3.05Å; A136-T141 PolarHBondContact O-OG1 3.36Å; A136-T141 VanDerWaalsContact O-OG1 3.07Å; A139-T141 VanDerWaalsContact C-N 3.31Å; A139-T141 HydrophobicContact CB-CG2 4.33Å; A139-T141 PolarHBondContact O-N 3.03Å; T141-K146 VanDerWaalsContact O-CE 3.3Å; T141-K146 WeakPolarHBondContact O-CE 3.37Å
142N88.1Confident89.4Confident37 Ų3791.6 Ų91.620%0.19846%0.455CS..SBendtrans-69.3159.1175.2-78.7-8.8000112.8Y133 A136 T137 E144 G145 K146Y133-N142 VanDerWaalsContact CD2-ND2 3.27Å; Y133-N142 WeakPolarHBondContact CD2-ND2 3.37Å; Y133-N142 WeakPolarHBondContact CE2-ND2 3.44Å; Y133-N142 PolarHBondContact O-ND2 3.45Å; A136-N142 HydrophobicContact CB-CB 4.43Å; A136-N142 VanDerWaalsContact CB-CG 3.43Å; A136-N142 VanDerWaalsContact CB-ND2 3.28Å; A136-N142 WeakPolarHBondContact CB-ND2 3.5Å; A136-N142 WeakPolarHBondContact CB-OD1 3.36Å; A136-N142 PolarHBondContact O-N 3.25Å; T137-N142 PolarHBondContact OG1-ND2 2.94Å; N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 PolarHBondContact O-N 2.92Å; N142-G145 PolarHBondContact O-N 3.4Å; N142-K146 WeakPolarHBondContact O-CG 3.39Å; N142-K146 PolarHBondContact O-N 3.4Å
143K90Very high89.7Confident192 Ų19289.1 Ų89.184%0.83545%0.446SS*.Hα-helixtrans-56.3-42.8176.4-67.4-179.4-178.2175.30111.5K146 M147K143-K146 PolarHBondContact O-N 3Å; K143-M147 WeakPolarHBondContact O-CB 3.36Å; K143-M147 PolarHBondContact O-N 3.4Å
144E87.8Confident90.1Very high104 Ų10493 Ų9349%0.48646%0.459SS..Hα-helixtrans-65-46.2175.7-71.2175.6-174.600112.1Y133 T137 N142 K146 M147 L148Y133-E144 WeakPolarHBondContact CE1-OE2 3.34Å; Y133-E144 PolarHBondContact OH-OE1 3.42Å; Y133-E144 PolarHBondContact OH-OE2 2.92Å; T137-E144 HydrophobicContact CG2-CB 4.17Å; N142-E144 VanDerWaalsContact C-N 3.26Å; N142-E144 PolarHBondContact O-N 2.92Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.4Å; E144-M147 CarbonylContact O-C 3.48Å; E144-M147 WeakPolarHBondContact O-CB 3.47Å; E144-M147 PolarHBondContact O-N 3.16Å; E144-M147 VanDerWaalsContact O-N 3.1Å; E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 PolarHBondContact O-N 3.3Å
145G90.9Very high90.5Very high1 Ų196 Ų961%0.0147%0.469CS..Hα-helixtrans-60.6-39.5176.200000113T137 N142 L148 R149T137-G145 VanDerWaalsContact O-CA 3.22Å; T137-G145 WeakPolarHBondContact O-CA 3.47Å; N142-G145 PolarHBondContact O-N 3.4Å; G145-L148 PolarHBondContact O-N 3.49Å; G145-R149 WeakPolarHBondContact O-CB 3.41Å; G145-R149 PolarHBondContact O-N 3.37Å
146K91.6Very high90.9Very high121 Ų12195 Ų9553%0.52646%0.464SS..Hα-helixtrans-65-39.9172.7-70.3176.3-178.6169.10112.1G140 T141 N142 K143 E144 N150G140-K146 WeakPolarHBondContact O-CG 3.32Å; T141-K146 VanDerWaalsContact O-CE 3.3Å; T141-K146 WeakPolarHBondContact O-CE 3.37Å; N142-K146 WeakPolarHBondContact O-CG 3.39Å; N142-K146 PolarHBondContact O-N 3.4Å; K143-K146 PolarHBondContact O-N 3Å; E144-K146 VanDerWaalsContact C-N 3.32Å; E144-K146 PolarHBondContact O-N 3.4Å; K146-N150 WeakPolarHBondContact O-CB 3.45Å; K146-N150 VanDerWaalsContact O-CG 3.23Å; K146-N150 PolarHBondContact O-N 2.98Å; K146-N150 PolarHBondContact O-ND2 2.96Å
147M92.8Very high91.4Very high120 Ų120100.8 Ų100.859%0.59149%0.485SS*.Hα-helixtrans-64.9-43.7175.5-177.2171.7174.700111.2K143 E144 N150 L151K143-M147 WeakPolarHBondContact O-CB 3.36Å; K143-M147 PolarHBondContact O-N 3.4Å; E144-M147 CarbonylContact O-C 3.48Å; E144-M147 WeakPolarHBondContact O-CB 3.47Å; E144-M147 PolarHBondContact O-N 3.16Å; E144-M147 VanDerWaalsContact O-N 3.1Å; M147-N150 PolarHBondContact O-N 2.83Å; M147-L151 HydrophobicContact CE-CD1 4.25Å; M147-L151 HydrophobicContact CG-CD1 4.16Å; M147-L151 HydrophobicContact CG-CG 4.5Å; M147-L151 WeakPolarHBondContact O-CB 3.38Å; M147-L151 WeakPolarHBondContact O-CG 3.37Å; M147-L151 PolarHBondContact O-N 2.82Å
148L92.5Very high91.9Very high89 Ų89101.9 Ų101.947%0.46650%0.498SS..Hα-helixtrans-58.2-50.8175.1-166.8111.9000110.6E144 G145 N150 L151 E152E144-L148 WeakPolarHBondContact O-CB 3.34Å; E144-L148 PolarHBondContact O-N 3.3Å; G145-L148 PolarHBondContact O-N 3.49Å; L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.22Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-L151 VanDerWaalsContact O-N 3.08Å; L148-E152 WeakPolarHBondContact CD2-OE1 3.37Å; L148-E152 WeakPolarHBondContact O-CG 3.45Å; L148-E152 PolarHBondContact O-N 3.3Å
149R91.2Very high92.6Very high162 Ų16298.7 Ų98.761%0.61148%0.484SS*.Hα-helixtrans-58.7-38.8176-171.6176.9-178.7-176.80.4112.8G145 N153G145-R149 WeakPolarHBondContact O-CB 3.41Å; G145-R149 PolarHBondContact O-N 3.37Å; R149-N153 VanDerWaalsContact O-CB 3.31Å; R149-N153 WeakPolarHBondContact O-CB 3.21Å; R149-N153 PolarHBondContact O-N 2.89Å; R149-N153 PolarHBondContact O-ND2 3.43Å; R149-N153 VanDerWaalsContact O-ND2 3.14Å
150N93.9Very high93.1Very high109 Ų109100.9 Ų100.958%0.58349%0.485SS*.Hα-helixtrans-68.3-38.8176.1-76.3-24.2000112.4K146 M147 L148 R154K146-N150 WeakPolarHBondContact O-CB 3.45Å; K146-N150 VanDerWaalsContact O-CG 3.23Å; K146-N150 PolarHBondContact O-N 2.98Å; K146-N150 PolarHBondContact O-ND2 2.96Å; M147-N150 PolarHBondContact O-N 2.83Å; L148-N150 VanDerWaalsContact C-N 3.29Å; L148-N150 PolarHBondContact O-N 3.22Å; N150-R154 WeakPolarHBondContact O-CB 3.26Å; N150-R154 PolarHBondContact O-N 2.85Å
151L95.9Very high93.9Very high97 Ų97107.2 Ų107.251%0.50851%0.508SS..Hα-helixtrans-67.6-43.4176.1-72.9172.1000111.2M147 L148 R154 L155M147-L151 HydrophobicContact CE-CD1 4.25Å; M147-L151 HydrophobicContact CG-CD1 4.16Å; M147-L151 HydrophobicContact CG-CG 4.5Å; M147-L151 WeakPolarHBondContact O-CB 3.38Å; M147-L151 WeakPolarHBondContact O-CG 3.37Å; M147-L151 PolarHBondContact O-N 2.82Å; L148-L151 WeakPolarHBondContact O-CB 3.43Å; L148-L151 PolarHBondContact O-N 3.38Å; L148-L151 VanDerWaalsContact O-N 3.08Å; L151-R154 PolarHBondContact O-N 3.38Å; L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 PolarHBondContact O-N 3.16Å
152E94.7Very high94.4Very high100 Ų100110 Ų11047%0.46751%0.51SS..Hα-helixtrans-59.9-49.6173.5-72.1173.6162.700111.1L148 R154 L155 D156L148-E152 WeakPolarHBondContact CD2-OE1 3.37Å; L148-E152 WeakPolarHBondContact O-CG 3.45Å; L148-E152 PolarHBondContact O-N 3.3Å; E152-R154 VanDerWaalsContact C-N 3.26Å; E152-R154 PolarHBondContact O-N 3.31Å; E152-L155 WeakPolarHBondContact O-CB 3.4Å; E152-L155 PolarHBondContact O-N 3.44Å; E152-L155 VanDerWaalsContact O-N 3.09Å; E152-D156 PolarHBondContact O-N 2.98Å
153N95.8Very high94.9Very high71 Ų71113.3 Ų113.338%0.3852%0.524SS..Hα-helixtrans-59-36.4175.3-74.1-26.2000112.7R149 K157R149-N153 VanDerWaalsContact O-CB 3.31Å; R149-N153 WeakPolarHBondContact O-CB 3.21Å; R149-N153 PolarHBondContact O-N 2.89Å; R149-N153 PolarHBondContact O-ND2 3.43Å; R149-N153 VanDerWaalsContact O-ND2 3.14Å; N153-K157 WeakPolarHBondContact O-CB 3.26Å; N153-K157 VanDerWaalsContact O-CG 3.23Å; N153-K157 WeakPolarHBondContact O-CG 3.37Å; N153-K157 PolarHBondContact O-N 2.64Å
154R97.5Very high95.2Very high188 Ų188110.1 Ų110.171%0.70951%0.512SS*.Hα-helixtrans-71.3-37.7176.9-177.2174.6172.5161.1-2.6111.4N150 L151 E152 A158N150-R154 WeakPolarHBondContact O-CB 3.26Å; N150-R154 PolarHBondContact O-N 2.85Å; L151-R154 PolarHBondContact O-N 3.38Å; E152-R154 VanDerWaalsContact C-N 3.26Å; E152-R154 PolarHBondContact O-N 3.31Å; R154-A158 WeakPolarHBondContact O-CB 3.45Å; R154-A158 PolarHBondContact O-N 3.43Å
155L97.3Very high95.7Very high88 Ų88107.9 Ų107.946%0.46151%0.511SS..Hα-helixtrans-62.3-48.6174.2-174.885.9000110.5L151 E152 K157 A158 R159L151-L155 WeakPolarHBondContact O-CB 3.39Å; L151-L155 PolarHBondContact O-N 3.16Å; E152-L155 WeakPolarHBondContact O-CB 3.4Å; E152-L155 PolarHBondContact O-N 3.44Å; E152-L155 VanDerWaalsContact O-N 3.09Å; L155-K157 PolarHBondContact O-N 2.91Å; L155-A158 WeakPolarHBondContact O-CB 3.46Å; L155-A158 PolarHBondContact O-N 2.89Å; L155-A158 VanDerWaalsContact O-N 3.08Å; L155-R159 WeakPolarHBondContact O-CG 3.48Å; L155-R159 PolarHBondContact O-N 2.89Å
156D97.3Very high96Very high80 Ų80110 Ų11043%0.42852%0.521SS..Hα-helixtrans-64.1-40.9179.7-73.9-17.9000111.7E152 A158 R159 L160E152-D156 PolarHBondContact O-N 2.98Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.39Å; D156-R159 PolarHBondContact O-N 3.31Å; D156-R159 IonicContact OD1-NH1 3.73Å; D156-L160 WeakPolarHBondContact O-CG 3.49Å; D156-L160 PolarHBondContact O-N 3.37Å
157K97.8Very high96.3Very high142 Ų142110.2 Ų110.262%0.61752%0.524SS*.Hα-helixtrans-60-39.9170.9-75173.9-176.6-177.90112.4N153 L155 K161N153-K157 WeakPolarHBondContact O-CB 3.26Å; N153-K157 VanDerWaalsContact O-CG 3.23Å; N153-K157 WeakPolarHBondContact O-CG 3.37Å; N153-K157 PolarHBondContact O-N 2.64Å; L155-K157 PolarHBondContact O-N 2.91Å; K157-K161 WeakPolarHBondContact O-CG 3.38Å; K157-K161 PolarHBondContact O-N 3.48Å; K157-K161 VanDerWaalsContact O-N 3.11Å
158A97.4Very high96.5Very high55 Ų55108 Ų10846%0.45551%0.513SS..Hα-helixtrans-68.3-38.8177.400000111.8R154 L155 D156 K161 Y162R154-A158 WeakPolarHBondContact O-CB 3.45Å; R154-A158 PolarHBondContact O-N 3.43Å; L155-A158 WeakPolarHBondContact O-CB 3.46Å; L155-A158 PolarHBondContact O-N 2.89Å; L155-A158 VanDerWaalsContact O-N 3.08Å; D156-A158 VanDerWaalsContact C-N 3.31Å; D156-A158 PolarHBondContact O-N 3.39Å; A158-K161 PolarHBondContact O-N 3.11Å; A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 PolarHBondContact O-N 2.69Å
159R97.8Very high96.8Very high140 Ų140109.5 Ų109.553%0.52851%0.513SS..Hα-helixtrans-64.2-45.1174.7-74174.8171.2175.4-5.2112.1L155 D156 K161 Y162 H163L155-R159 WeakPolarHBondContact O-CG 3.48Å; L155-R159 PolarHBondContact O-N 2.89Å; D156-R159 PolarHBondContact O-N 3.31Å; D156-R159 IonicContact OD1-NH1 3.73Å; R159-K161 PolarHBondContact O-N 2.99Å; R159-Y162 WeakPolarHBondContact O-CB 3.44Å; R159-Y162 PolarHBondContact O-N 3.47Å; R159-H163 PolarHBondContact O-CD2 3.17Å; R159-H163 PolarHBondContact O-N 2.9Å
160L96.9Very high97.1Very high122 Ų122106.3 Ų106.364%0.63950%0.503SS*.Hα-helixtrans-58.6-47.2175.1-73.6170.3000111.3D156 Y162 H163 E164D156-L160 WeakPolarHBondContact O-CG 3.49Å; D156-L160 PolarHBondContact O-N 3.37Å; L160-Y162 VanDerWaalsContact C-N 3.33Å; L160-Y162 PolarHBondContact O-N 2.92Å; L160-H163 PolarHBondContact O-N 2.89Å; L160-E164 WeakPolarHBondContact O-CB 3.35Å; L160-E164 PolarHBondContact O-N 3.1Å
161K97.8Very high97.3Very high149 Ų149103.3 Ų103.365%0.64849%0.489SS*.Hα-helixtrans-61.4-39.2175.4-73.5179.8178.5-1690113K157 A158 R159 A165K157-K161 WeakPolarHBondContact O-CG 3.38Å; K157-K161 PolarHBondContact O-N 3.48Å; K157-K161 VanDerWaalsContact O-N 3.11Å; A158-K161 PolarHBondContact O-N 3.11Å; R159-K161 PolarHBondContact O-N 2.99Å; K161-A165 VanDerWaalsContact O-CB 3.3Å; K161-A165 WeakPolarHBondContact O-CB 3.32Å; K161-A165 PolarHBondContact O-N 3.22Å
162Y97.6Very high97.4Very high142 Ų142106.1 Ų106.156%0.55749%0.494SS*.Hα-helixtrans-62.7-48.2176.4172.4-92.6000111.2A158 R159 L160 E164 A165 E166A158-Y162 WeakPolarHBondContact O-CB 3.19Å; A158-Y162 PolarHBondContact O-N 2.69Å; R159-Y162 WeakPolarHBondContact O-CB 3.44Å; R159-Y162 PolarHBondContact O-N 3.47Å; L160-Y162 VanDerWaalsContact C-N 3.33Å; L160-Y162 PolarHBondContact O-N 2.92Å; Y162-E164 PolarHBondContact O-N 3.31Å; Y162-A165 PolarHBondContact O-N 3.27Å; Y162-E166 WeakPolarHBondContact O-CB 3.35Å; Y162-E166 PolarHBondContact O-N 3.37Å
163H97.7Very high97.5Very high107 Ų107105.9 Ų105.950%0.49549%0.493SS..Hα-helixtrans-66.1-37.4178.3-70.9-50.8000112.6R159 L160 E166 H167R159-H163 PolarHBondContact O-CD2 3.17Å; R159-H163 PolarHBondContact O-N 2.9Å; L160-H163 PolarHBondContact O-N 2.89Å; H163-E166 IonicContact ND1-OE2 3.58Å; H163-E166 PolarHBondContact O-N 3.33Å; H163-H167 WeakPolarHBondContact O-CB 3.3Å; H163-H167 PolarHBondContact O-N 3.3Å
164E97.1Very high97.6Very high125 Ų125108.3 Ų108.358%0.58450%0.502SS*.Hα-helixtrans-62.1-46.7172.7-174.5178.3-172.800111.2L160 Y162 E166 H167 I168L160-E164 WeakPolarHBondContact O-CB 3.35Å; L160-E164 PolarHBondContact O-N 3.1Å; Y162-E164 PolarHBondContact O-N 3.31Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.01Å; E164-H167 PolarHBondContact O-N 2.91Å; E164-I168 HydrophobicContact CG-CD1 4.03Å; E164-I168 WeakPolarHBondContact O-CB 3.36Å; E164-I168 VanDerWaalsContact O-CG1 3.27Å; E164-I168 WeakPolarHBondContact O-CG1 3.46Å; E164-I168 PolarHBondContact O-N 3.44Å
165A97.8Very high97.6Very high57 Ų57103.7 Ų103.747%0.47149%0.49SS..Hα-helixtrans-63.4-38175.700000112.4K161 Y162 I168 R169K161-A165 VanDerWaalsContact O-CB 3.3Å; K161-A165 WeakPolarHBondContact O-CB 3.32Å; K161-A165 PolarHBondContact O-N 3.22Å; Y162-A165 PolarHBondContact O-N 3.27Å; A165-I168 PolarHBondContact O-N 3.06Å; A165-R169 VanDerWaalsContact O-CB 3.32Å; A165-R169 WeakPolarHBondContact O-CB 3.37Å; A165-R169 PolarHBondContact O-N 3.5Å
166E97.4Very high97.6Very high46 Ų46105.5 Ų105.522%0.21549%0.494CS..Hα-helixtrans-65.2-43.1175.5-165.1-160.4154.700111.4Y162 H163 E164 R169 K170Y162-E166 WeakPolarHBondContact O-CB 3.35Å; Y162-E166 PolarHBondContact O-N 3.37Å; H163-E166 IonicContact ND1-OE2 3.58Å; H163-E166 PolarHBondContact O-N 3.33Å; E164-E166 VanDerWaalsContact C-N 3.33Å; E164-E166 PolarHBondContact O-N 3.01Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-K170 WeakPolarHBondContact O-CG 3.43Å; E166-K170 PolarHBondContact O-N 2.99Å; E166-K170 WeakPolarHBondContact OE1-CE 3.44Å; E166-K170 IonicContact OE1-NZ 3.64Å; E166-K170 PolarHBondContact OE1-NZ 3.45Å
167H97.6Very high97.6Very high126 Ų126106.9 Ų106.958%0.58350%0.498SS*.Hα-helixtrans-61.9-49.1174.9179.4-83.4000111H163 E164 R169 K170 T171H163-H167 WeakPolarHBondContact O-CB 3.3Å; H163-H167 PolarHBondContact O-N 3.3Å; E164-H167 PolarHBondContact O-N 2.91Å; H167-R169 VanDerWaalsContact C-N 3.32Å; H167-R169 PolarHBondContact O-N 2.93Å; H167-K170 PolarHBondContact O-N 3.48Å; H167-T171 WeakPolarHBondContact O-CG2 3.41Å; H167-T171 PolarHBondContact O-N 3.31Å
168I97.7Very high97.5Very high73 Ų73105.9 Ų105.937%0.37449%0.494SS..Hα-helixtrans-58-45.1176.2-69.2168.1000110.6E164 A165 K170 T171 Y172E164-I168 HydrophobicContact CG-CD1 4.03Å; E164-I168 WeakPolarHBondContact O-CB 3.36Å; E164-I168 VanDerWaalsContact O-CG1 3.27Å; E164-I168 WeakPolarHBondContact O-CG1 3.46Å; E164-I168 PolarHBondContact O-N 3.44Å; A165-I168 PolarHBondContact O-N 3.06Å; I168-K170 PolarHBondContact O-N 2.96Å; I168-T171 WeakPolarHBondContact CA-OG1 3.49Å; I168-T171 PolarHBondContact O-N 3.35Å; I168-T171 PolarHBondContact O-OG1 3.49Å; I168-Y172 HydrophobicContact CG2-CD2 3.52Å; I168-Y172 HydrophobicContact CG2-CE2 3.35Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.3Å; I168-Y172 PolarHBondContact O-N 3.25Å
169R98.1Very high97.5Very high121 Ų121108 Ų10846%0.45750%0.497SS..Hα-helixtrans-57.6-49.1176.5-169.2-168.875.5-138-4.6111.5A165 E166 H167 T171 Y172 E173A165-R169 VanDerWaalsContact O-CB 3.32Å; A165-R169 WeakPolarHBondContact O-CB 3.37Å; A165-R169 PolarHBondContact O-N 3.5Å; E166-R169 PolarHBondContact O-N 2.88Å; H167-R169 VanDerWaalsContact C-N 3.32Å; H167-R169 PolarHBondContact O-N 2.93Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 2.98Å; R169-Y172 PolarHBondContact O-N 3.45Å; R169-E173 WeakPolarHBondContact CD-OE1 3.32Å; R169-E173 HydrophobicContact CG-CG 4.45Å; R169-E173 WeakPolarHBondContact CG-OE1 3.33Å; R169-E173 IonicContact NE-OE1 3.88Å; R169-E173 PolarHBondContact NE-OE1 2.92Å; R169-E173 WeakPolarHBondContact O-CB 3.43Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 3.17Å
170K98Very high97.3Very high94 Ų94106.4 Ų106.441%0.40950%0.496SS..Hα-helixtrans-58.7-41.1177-74175.3-175.1168.30111.9E166 H167 I168 E173 Q174E166-K170 WeakPolarHBondContact O-CG 3.43Å; E166-K170 PolarHBondContact O-N 2.99Å; E166-K170 WeakPolarHBondContact OE1-CE 3.44Å; E166-K170 IonicContact OE1-NZ 3.64Å; E166-K170 PolarHBondContact OE1-NZ 3.45Å; H167-K170 PolarHBondContact O-N 3.48Å; I168-K170 PolarHBondContact O-N 2.96Å; K170-E173 PolarHBondContact O-N 3.5Å; K170-Q174 WeakPolarHBondContact O-CG 3.39Å; K170-Q174 PolarHBondContact O-N 3.01Å
171T97.7Very high97.2Very high46 Ų46104 Ų10428%0.28248%0.484SS..Hα-helixtrans-64.6-41.7176.459.10000112.2H167 I168 R169 Q174 I175H167-T171 WeakPolarHBondContact O-CG2 3.41Å; H167-T171 PolarHBondContact O-N 3.31Å; I168-T171 WeakPolarHBondContact CA-OG1 3.49Å; I168-T171 PolarHBondContact O-N 3.35Å; I168-T171 PolarHBondContact O-OG1 3.49Å; R169-T171 VanDerWaalsContact C-N 3.3Å; R169-T171 PolarHBondContact O-N 2.98Å; T171-Q174 PolarHBondContact O-N 3.29Å; T171-I175 VanDerWaalsContact O-CG1 3.25Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.46Å
172Y98.1Very high97Very high156 Ų156101.1 Ų101.161%0.61247%0.473SS*.Hα-helixtrans-69-35.1175.5-78.6-62.2000112.9I168 R169 I175 K176I168-Y172 HydrophobicContact CG2-CD2 3.52Å; I168-Y172 HydrophobicContact CG2-CE2 3.35Å; I168-Y172 VanDerWaalsContact O-CD2 3.28Å; I168-Y172 WeakPolarHBondContact O-CD2 3.3Å; I168-Y172 PolarHBondContact O-N 3.25Å; R169-Y172 PolarHBondContact O-N 3.45Å; Y172-I175 HydrophobicContact CD1-CD1 4.41Å; Y172-I175 PolarHBondContact O-N 3.19Å; Y172-K176 VanDerWaalsContact O-CB 3.27Å; Y172-K176 WeakPolarHBondContact O-CB 3.44Å; Y172-K176 PolarHBondContact O-N 2.87Å
173E97.8Very high96.9Very high95 Ų9599.7 Ų99.744%0.44447%0.471SS..Hα-helixtrans-61.2-45.2172.3-76.5167.6-17600110.9R169 K170 K176 E177R169-E173 WeakPolarHBondContact CD-OE1 3.32Å; R169-E173 HydrophobicContact CG-CG 4.45Å; R169-E173 WeakPolarHBondContact CG-OE1 3.33Å; R169-E173 IonicContact NE-OE1 3.88Å; R169-E173 PolarHBondContact NE-OE1 2.92Å; R169-E173 WeakPolarHBondContact O-CB 3.43Å; R169-E173 WeakPolarHBondContact O-CG 3.49Å; R169-E173 PolarHBondContact O-N 3.17Å; K170-E173 PolarHBondContact O-N 3.5Å; E173-K176 WeakPolarHBondContact O-CB 3.35Å; E173-K176 PolarHBondContact O-N 3.48Å; E173-E177 PolarHBondContact O-N 3.38Å
174Q97.7Very high96.5Very high123 Ų123100.7 Ų100.758%0.57548%0.479SS*.Hα-helixtrans-64.2-43.2175.4-72.1172.3-1.300112.6K170 T171 K176 E177 K178K170-Q174 WeakPolarHBondContact O-CG 3.39Å; K170-Q174 PolarHBondContact O-N 3.01Å; T171-Q174 PolarHBondContact O-N 3.29Å; Q174-K176 VanDerWaalsContact C-N 3.3Å; Q174-K176 PolarHBondContact O-N 2.97Å; Q174-E177 PolarHBondContact O-N 3.37Å; Q174-K178 WeakPolarHBondContact O-CG 3.49Å; Q174-K178 PolarHBondContact O-N 3.16Å
175I97.3Very high96.3Very high90 Ų9098.6 Ų98.646%0.46248%0.475SS..Hα-helixtrans-61.6-42.6175.8-69.8164.5000109.9T171 Y172 K178 L179T171-I175 VanDerWaalsContact O-CG1 3.25Å; T171-I175 WeakPolarHBondContact O-CG1 3.35Å; T171-I175 PolarHBondContact O-N 3.46Å; Y172-I175 HydrophobicContact CD1-CD1 4.41Å; Y172-I175 PolarHBondContact O-N 3.19Å; I175-K178 PolarHBondContact O-N 2.91Å; I175-L179 HydrophobicContact CG2-CD1 3.63Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CB 3.47Å; I175-L179 WeakPolarHBondContact O-CD1 3.33Å; I175-L179 WeakPolarHBondContact O-CG 3.27Å; I175-L179 PolarHBondContact O-N 3.46Å
176K97.4Very high96.1Very high126 Ų126101.7 Ų101.755%0.54848%0.475SS..Hα-helixtrans-61.8-47.1176.4-178.6-171.8172.8-170.50111.6Y172 E173 Q174 K178 L179 Q180Y172-K176 VanDerWaalsContact O-CB 3.27Å; Y172-K176 WeakPolarHBondContact O-CB 3.44Å; Y172-K176 PolarHBondContact O-N 2.87Å; E173-K176 WeakPolarHBondContact O-CB 3.35Å; E173-K176 PolarHBondContact O-N 3.48Å; Q174-K176 VanDerWaalsContact C-N 3.3Å; Q174-K176 PolarHBondContact O-N 2.97Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.02Å; K176-L179 PolarHBondContact O-N 3.43Å; K176-Q180 WeakPolarHBondContact O-CB 3.5Å; K176-Q180 VanDerWaalsContact O-CG 3.3Å; K176-Q180 WeakPolarHBondContact O-CG 3.45Å; K176-Q180 PolarHBondContact O-N 3.35Å
177E96.8Very high95.9Very high110 Ų110105.5 Ų105.551%0.51449%0.493SS..Hα-helixtrans-58.2-45.8176.9-173.8-177.9-176.600110.7E173 Q174 L179 Q180 D181E173-E177 PolarHBondContact O-N 3.38Å; Q174-E177 PolarHBondContact O-N 3.37Å; E177-L179 PolarHBondContact O-N 2.91Å; E177-Q180 PolarHBondContact O-N 3.28Å; E177-D181 PolarHBondContact O-N 3.47Å
178K96.1Very high95.6Very high120 Ų120109.3 Ų109.352%0.52250%0.502SS..Hα-helixtrans-63.3-41.7176.5-69.3-69.5161.8-142.50113.4Q174 I175 K176 Q180 D181 E182Q174-K178 WeakPolarHBondContact O-CG 3.49Å; Q174-K178 PolarHBondContact O-N 3.16Å; I175-K178 PolarHBondContact O-N 2.91Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 3.02Å; K178-Q180 VanDerWaalsContact C-N 3.31Å; K178-Q180 PolarHBondContact O-N 3.39Å; K178-D181 IonicContact NZ-OD2 3.1Å; K178-D181 PolarHBondContact O-N 2.98Å; K178-E182 WeakPolarHBondContact O-CB 3.33Å; K178-E182 WeakPolarHBondContact O-CG 3.3Å; K178-E182 PolarHBondContact O-N 3.28Å
179L96.2Very high95.5Very high101 Ų101108.9 Ų108.953%0.52951%0.506SS..Hα-helixtrans-63.7-37174.7-78.2156.9000111.9I175 K176 E177 H183I175-L179 HydrophobicContact CG2-CD1 3.63Å; I175-L179 HydrophobicContact CG2-CG 4.45Å; I175-L179 WeakPolarHBondContact O-CB 3.47Å; I175-L179 WeakPolarHBondContact O-CD1 3.33Å; I175-L179 WeakPolarHBondContact O-CG 3.27Å; I175-L179 PolarHBondContact O-N 3.46Å; K176-L179 PolarHBondContact O-N 3.43Å; E177-L179 PolarHBondContact O-N 2.91Å; L179-H183 VanDerWaalsContact O-CB 3.26Å; L179-H183 WeakPolarHBondContact O-CB 3.27Å; L179-H183 PolarHBondContact O-N 3.42Å
180Q95.4Very high95.4Very high105 Ų105107.8 Ų107.849%0.49151%0.508SS..Hα-helixtrans-68.8-43.6175.8-72.9178-46.200111.4K176 E177 K178 H183 L184K176-Q180 WeakPolarHBondContact O-CB 3.5Å; K176-Q180 VanDerWaalsContact O-CG 3.3Å; K176-Q180 WeakPolarHBondContact O-CG 3.45Å; K176-Q180 PolarHBondContact O-N 3.35Å; E177-Q180 PolarHBondContact O-N 3.28Å; K178-Q180 VanDerWaalsContact C-N 3.31Å; K178-Q180 PolarHBondContact O-N 3.39Å; Q180-H183 PolarHBondContact O-N 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 2.91Å; Q180-L184 VanDerWaalsContact O-N 3.17Å
181D94.1Very high95.3Very high72 Ų72107.4 Ų107.439%0.38551%0.511SS..Hα-helixtrans-57.9-47.9172.9-72.6-17.1000111.2E177 K178 L184 T185E177-D181 PolarHBondContact O-N 3.47Å; K178-D181 IonicContact NZ-OD2 3.1Å; K178-D181 PolarHBondContact O-N 2.98Å; D181-L184 PolarHBondContact O-N 2.99Å; D181-T185 PolarHBondContact O-N 3.19Å
182E94.2Very high95.2Very high89 Ų89108 Ų10842%0.41652%0.517SS..Hα-helixtrans-63.6-42.4177.9-76.2178.5-172.600111.8K178 L184 T185 Y186K178-E182 WeakPolarHBondContact O-CB 3.33Å; K178-E182 WeakPolarHBondContact O-CG 3.3Å; K178-E182 PolarHBondContact O-N 3.28Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 3.07Å; E182-T185 WeakPolarHBondContact O-CA 3.48Å; E182-T185 PolarHBondContact O-N 2.92Å; E182-T185 PolarHBondContact O-OG1 3.37Å; E182-Y186 HydrophobicContact CB-CE2 4.19Å; E182-Y186 PolarHBondContact O-N 2.87Å; E182-Y186 VanDerWaalsContact O-N 3.11Å; E182-Y186 PolarHBondContact OE2-OH 3.17Å
183H93.9Very high95.2Very high111 Ų111104.8 Ų104.851%0.51451%0.51SS..Hα-helixtrans-56.4-41.8177.6-176.9-78.2000112L179 Q180 T185 Y186L179-H183 VanDerWaalsContact O-CB 3.26Å; L179-H183 WeakPolarHBondContact O-CB 3.27Å; L179-H183 PolarHBondContact O-N 3.42Å; Q180-H183 PolarHBondContact O-N 3.24Å; H183-T185 PolarHBondContact O-N 2.78Å; H183-Y186 PolarHBondContact O-N 3.46Å
184L90.3Very high95.1Very high129 Ų129105.1 Ų105.168%0.67551%0.511SS*.Hα-helixtrans-62.7-27.3176.3-67166.1000112.6Q180 D181 E182Q180-L184 WeakPolarHBondContact O-CG 3.41Å; Q180-L184 PolarHBondContact O-N 2.91Å; Q180-L184 VanDerWaalsContact O-N 3.17Å; D181-L184 PolarHBondContact O-N 2.99Å; E182-L184 VanDerWaalsContact C-N 3.27Å; E182-L184 PolarHBondContact O-N 3.07Å
185T92.5Very high95.1Very high81 Ų81106.3 Ų106.350%0.49752%0.515SS..Hα-helixtrans-84.6-23.9177.568.10000113.7D181 E182 H183 R188 S189D181-T185 PolarHBondContact O-N 3.19Å; E182-T185 WeakPolarHBondContact O-CA 3.48Å; E182-T185 PolarHBondContact O-N 2.92Å; E182-T185 PolarHBondContact O-OG1 3.37Å; H183-T185 PolarHBondContact O-N 2.78Å; T185-R188 PolarHBondContact O-N 3.4Å; T185-S189 PolarHBondContact O-N 2.93Å
186Y93.8Very high95.1Very high121 Ų121107.4 Ų107.448%0.47552%0.518SS..Hα-helixtrans-64.1-43.2-178.2-67.9-34.8000112.6E182 H183 R188 S189 L190E182-Y186 HydrophobicContact CB-CE2 4.19Å; E182-Y186 PolarHBondContact O-N 2.87Å; E182-Y186 VanDerWaalsContact O-N 3.11Å; E182-Y186 PolarHBondContact OE2-OH 3.17Å; H183-Y186 PolarHBondContact O-N 3.46Å; Y186-R188 VanDerWaalsContact C-N 3.35Å; Y186-R188 PolarHBondContact O-N 2.99Å; Y186-S189 PolarHBondContact O-N 3.5Å; Y186-S189 VanDerWaalsContact O-N 3.16Å; Y186-L190 WeakPolarHBondContact O-CB 3.45Å; Y186-L190 WeakPolarHBondContact O-CG 3.29Å; Y186-L190 PolarHBondContact O-N 3.38Å
187E93.2Very high95.1Very high126 Ų126105.7 Ų105.759%0.58951%0.514SS*.Hα-helixtrans-60-45.1177-68.1-173.4167.200111.5S189 L190 D191E187-S189 VanDerWaalsContact C-N 3.32Å; E187-S189 PolarHBondContact O-N 2.91Å; E187-L190 PolarHBondContact O-N 2.94Å; E187-D191 WeakPolarHBondContact O-CB 3.44Å; E187-D191 PolarHBondContact O-N 3.43Å
188R91.7Very high95.1Very high206 Ų206106.4 Ų106.478%0.77752%0.515SS*.Hα-helixtrans-61.9-39.5175.7-177.9-179.2175.6-173.8-0.6112.4T185 Y186 S192T185-R188 PolarHBondContact O-N 3.4Å; Y186-R188 VanDerWaalsContact C-N 3.35Å; Y186-R188 PolarHBondContact O-N 2.99Å; R188-S192 WeakPolarHBondContact O-CB 3.25Å; R188-S192 PolarHBondContact O-N 3.36Å
189S94.8Very high95.1Very high64 Ų64102.9 Ų102.945%0.44851%0.508SS..Hα-helixtrans-67.3-40.8176.9-171.10000111.4T185 Y186 E187 S192 L193T185-S189 PolarHBondContact O-N 2.93Å; Y186-S189 PolarHBondContact O-N 3.5Å; Y186-S189 VanDerWaalsContact O-N 3.16Å; E187-S189 VanDerWaalsContact C-N 3.32Å; E187-S189 PolarHBondContact O-N 2.91Å; S189-S192 PolarHBondContact O-N 2.96Å; S189-L193 WeakPolarHBondContact O-CG 3.38Å; S189-L193 PolarHBondContact O-N 3.3Å
190L96.2Very high95.1Very high98 Ų98101.5 Ų101.551%0.51350%0.504SS..Hα-helixtrans-63.9-49175.3-74.1171.5000110.8Y186 E187 S192 L193 E194Y186-L190 WeakPolarHBondContact O-CB 3.45Å; Y186-L190 WeakPolarHBondContact O-CG 3.29Å; Y186-L190 PolarHBondContact O-N 3.38Å; E187-L190 PolarHBondContact O-N 2.94Å; L190-S192 PolarHBondContact O-N 3.48Å; L190-L193 CarbonylContact O-C 3.49Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-L193 VanDerWaalsContact O-N 3.08Å; L190-E194 WeakPolarHBondContact O-CB 3.33Å; L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 3.47Å
191D95.9Very high95.2Very high87 Ų87101.9 Ų101.947%0.46551%0.506SS..Hα-helixtrans-56.7-39.6175.7-78.8-8.2000112.3E187 K195E187-D191 WeakPolarHBondContact O-CB 3.44Å; E187-D191 PolarHBondContact O-N 3.43Å; D191-K195 WeakPolarHBondContact O-CB 3.38Å; D191-K195 VanDerWaalsContact O-CG 3.24Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 3.16Å
192S96.5Very high95.4Very high58 Ų58103.9 Ų103.941%0.40652%0.517SS..Hα-helixtrans-66.3-44.1176.5-174.20000111.6R188 S189 L190 K195 Q196R188-S192 WeakPolarHBondContact O-CB 3.25Å; R188-S192 PolarHBondContact O-N 3.36Å; S189-S192 PolarHBondContact O-N 2.96Å; L190-S192 PolarHBondContact O-N 3.48Å; S192-K195 PolarHBondContact O-N 2.89Å; S192-Q196 WeakPolarHBondContact O-CG 3.38Å; S192-Q196 PolarHBondContact O-N 2.94Å; S192-Q196 VanDerWaalsContact O-N 3.07Å
193L96.9Very high95.5Very high88 Ų88105.2 Ų105.246%0.46152%0.523SS..Hα-helixtrans-66.3-42.1176.8-74.2169.3000111.3S189 L190 K195 Q196 I197S189-L193 WeakPolarHBondContact O-CG 3.38Å; S189-L193 PolarHBondContact O-N 3.3Å; L190-L193 CarbonylContact O-C 3.49Å; L190-L193 PolarHBondContact O-N 2.85Å; L190-L193 VanDerWaalsContact O-N 3.08Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3Å; L193-Q196 PolarHBondContact O-N 3.45Å; L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 3.25Å
194E97.1Very high95.6Very high103 Ų103103.5 Ų103.548%0.48152%0.52SS..Hα-helixtrans-62.2-39.9175.8-74.4-172.7-177.500112.1L190 I197 K198L190-E194 WeakPolarHBondContact O-CB 3.33Å; L190-E194 WeakPolarHBondContact O-CG 3.47Å; L190-E194 PolarHBondContact O-N 3.47Å; E194-I197 PolarHBondContact O-N 2.89Å; E194-K198 WeakPolarHBondContact O-CG 3.4Å; E194-K198 PolarHBondContact O-N 3.41Å
195K96.6Very high96Very high148 Ų148100.5 Ų100.564%0.64351%0.51SS*.Hα-helixtrans-63.4-42.1173.3-77171.5-174.9173.10112.1D191 S192 L193 K198 A199D191-K195 WeakPolarHBondContact O-CB 3.38Å; D191-K195 VanDerWaalsContact O-CG 3.24Å; D191-K195 WeakPolarHBondContact O-CG 3.4Å; D191-K195 PolarHBondContact O-N 3.16Å; S192-K195 PolarHBondContact O-N 2.89Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3Å; K195-K198 PolarHBondContact O-N 3.04Å; K195-A199 WeakPolarHBondContact O-CB 3.18Å; K195-A199 PolarHBondContact O-N 3.47Å
196Q97.2Very high96.2Very high112 Ų112101.5 Ų101.552%0.52351%0.509SS..Hα-helixtrans-64.5-41.3175.6-72.8174.24.100111.6S192 L193 A199 T200S192-Q196 WeakPolarHBondContact O-CG 3.38Å; S192-Q196 PolarHBondContact O-N 2.94Å; S192-Q196 VanDerWaalsContact O-N 3.07Å; L193-Q196 PolarHBondContact O-N 3.45Å; Q196-A199 PolarHBondContact O-N 2.93Å; Q196-T200 WeakPolarHBondContact O-CG2 3.43Å; Q196-T200 PolarHBondContact O-N 3.09Å; Q196-T200 PolarHBondContact O-OG1 3.19Å; Q196-T200 VanDerWaalsContact O-OG1 3.06Å
197I96.8Very high96.3Very high91 Ų91101 Ų10147%0.46751%0.514SS..Hα-helixtrans-62.1-45175.4-69.3167.2000110.7L193 E194 T200 Q201L193-I197 VanDerWaalsContact O-CG1 3.31Å; L193-I197 WeakPolarHBondContact O-CG1 3.4Å; L193-I197 PolarHBondContact O-N 3.25Å; E194-I197 PolarHBondContact O-N 2.89Å; I197-T200 WeakPolarHBondContact CA-OG1 3.41Å; I197-T200 PolarHBondContact O-N 2.81Å; I197-T200 PolarHBondContact O-OG1 3.38Å; I197-Q201 HydrophobicContact CG2-CG 4.41Å; I197-Q201 WeakPolarHBondContact O-CB 3.27Å; I197-Q201 VanDerWaalsContact O-CG 3.27Å; I197-Q201 WeakPolarHBondContact O-CG 3.44Å; I197-Q201 PolarHBondContact O-N 3.37Å
198K97.3Very high96.5Very high124 Ų124100.5 Ų100.554%0.53951%0.512SS..Hα-helixtrans-62.5-46.5176.8-74.7175.3-179.3169.30112.2E194 K195 T200 Q201 D202E194-K198 WeakPolarHBondContact O-CG 3.4Å; E194-K198 PolarHBondContact O-N 3.41Å; K195-K198 PolarHBondContact O-N 3.04Å; K198-T200 VanDerWaalsContact C-N 3.34Å; K198-T200 PolarHBondContact O-N 2.96Å; K198-Q201 WeakPolarHBondContact O-CB 3.36Å; K198-Q201 PolarHBondContact O-N 3.35Å; K198-D202 PolarHBondContact O-N 3.46Å
199A97.3Very high96.7Very high46 Ų4697.6 Ų97.638%0.3850%0.501SS..Hα-helixtrans-58.8-44.917700000112K195 Q196 Q201 D202 E203K195-A199 WeakPolarHBondContact O-CB 3.18Å; K195-A199 PolarHBondContact O-N 3.47Å; Q196-A199 PolarHBondContact O-N 2.93Å; A199-Q201 PolarHBondContact O-N 3.37Å; A199-D202 PolarHBondContact O-N 2.99Å; A199-E203 WeakPolarHBondContact O-CB 3.42Å; A199-E203 WeakPolarHBondContact O-CG 3.45Å; A199-E203 PolarHBondContact O-N 2.96Å
200T96.1Very high96.8Very high73 Ų7399.6 Ų99.645%0.44850%0.504SS..Hα-helixtrans-67.4-33.4176.956.20000112.9Q196 I197 K198 V204Q196-T200 WeakPolarHBondContact O-CG2 3.43Å; Q196-T200 PolarHBondContact O-N 3.09Å; Q196-T200 PolarHBondContact O-OG1 3.19Å; Q196-T200 VanDerWaalsContact O-OG1 3.06Å; I197-T200 WeakPolarHBondContact CA-OG1 3.41Å; I197-T200 PolarHBondContact O-N 2.81Å; I197-T200 PolarHBondContact O-OG1 3.38Å; K198-T200 VanDerWaalsContact C-N 3.34Å; K198-T200 PolarHBondContact O-N 2.96Å; T200-V204 WeakPolarHBondContact O-CB 3.39Å; T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 3.31Å
201Q97.5Very high96.8Very high113 Ų113102.5 Ų102.553%0.52851%0.51SS..Hα-helixtrans-66.7-40.2173-75.6173.8-11.800112.2I197 K198 A199 V204 S205I197-Q201 HydrophobicContact CG2-CG 4.41Å; I197-Q201 WeakPolarHBondContact O-CB 3.27Å; I197-Q201 VanDerWaalsContact O-CG 3.27Å; I197-Q201 WeakPolarHBondContact O-CG 3.44Å; I197-Q201 PolarHBondContact O-N 3.37Å; K198-Q201 WeakPolarHBondContact O-CB 3.36Å; K198-Q201 PolarHBondContact O-N 3.35Å; A199-Q201 PolarHBondContact O-N 3.37Å; Q201-V204 PolarHBondContact O-N 3.5Å; Q201-S205 WeakPolarHBondContact O-CB 3.16Å; Q201-S205 PolarHBondContact O-N 2.96Å; Q201-S205 PolarHBondContact O-OG 3.17Å
202D96.8Very high96.9Very high113 Ų113102.6 Ų102.660%0.60451%0.51SS*.Hα-helixtrans-65.7-45.3175.5-68.8-22.4000110.7K198 A199 V204 S205 E206K198-D202 PolarHBondContact O-N 3.46Å; A199-D202 PolarHBondContact O-N 2.99Å; D202-V204 PolarHBondContact O-N 2.69Å; D202-S205 PolarHBondContact O-N 3.4Å; D202-E206 PolarHBondContact O-N 3.06Å
203E97.1Very high96.9Very high118 Ų118104.4 Ų104.455%0.55152%0.515SS*.Hα-helixtrans-58.4-44.4173.8-75.3174.1-170.400111.8A199 S205 E206 L207A199-E203 WeakPolarHBondContact O-CB 3.42Å; A199-E203 WeakPolarHBondContact O-CG 3.45Å; A199-E203 PolarHBondContact O-N 2.96Å; E203-S205 VanDerWaalsContact C-N 3.34Å; E203-S205 PolarHBondContact O-N 3.34Å; E203-E206 PolarHBondContact O-N 3Å; E203-L207 WeakPolarHBondContact O-CB 3.24Å; E203-L207 VanDerWaalsContact O-CG 3.29Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 2.98Å
204V96.9Very high97Very high74 Ų74103 Ų10345%0.44852%0.517SS..Hα-helixtrans-63.6-41176.2168.30000111.2T200 Q201 D202 L207 Q208T200-V204 WeakPolarHBondContact O-CB 3.39Å; T200-V204 WeakPolarHBondContact O-CG2 3.37Å; T200-V204 PolarHBondContact O-N 3.31Å; Q201-V204 PolarHBondContact O-N 3.5Å; D202-V204 PolarHBondContact O-N 2.69Å; V204-L207 PolarHBondContact O-N 3.34Å; V204-Q208 HydrophobicContact CG1-CG 4.5Å; V204-Q208 WeakPolarHBondContact O-CB 3.32Å; V204-Q208 VanDerWaalsContact O-CG 3.32Å; V204-Q208 WeakPolarHBondContact O-CG 3.28Å; V204-Q208 PolarHBondContact O-N 3.24Å
205S97Very high97Very high67 Ų6799.8 Ų99.847%0.46950%0.504SS..Hα-helixtrans-66-39.9178.1-60.10000111.8Q201 D202 E203 Q208 R209Q201-S205 WeakPolarHBondContact O-CB 3.16Å; Q201-S205 PolarHBondContact O-N 2.96Å; Q201-S205 PolarHBondContact O-OG 3.17Å; D202-S205 PolarHBondContact O-N 3.4Å; E203-S205 VanDerWaalsContact C-N 3.34Å; E203-S205 PolarHBondContact O-N 3.34Å; S205-Q208 PolarHBondContact O-N 3.02Å; S205-R209 PolarHBondContact O-N 3.45Å
206E96.9Very high97Very high102 Ų10296.9 Ų96.948%0.47750%0.498SS..Hα-helixtrans-64.1-45.7173.1179.3163.3-144.400111.8D202 E203 Q208 R209 M210D202-E206 PolarHBondContact O-N 3.06Å; E203-E206 PolarHBondContact O-N 3Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 3.44Å; E206-R209 WeakPolarHBondContact O-CB 3.49Å; E206-R209 PolarHBondContact O-N 2.96Å; E206-R209 IonicContact OE1-NH2 3.03Å; E206-R209 PolarHBondContact OE1-NH2 2.83Å; E206-M210 HydrophobicContact CG-SD 4.34Å; E206-M210 WeakPolarHBondContact O-CG 3.45Å; E206-M210 PolarHBondContact O-N 3.02Å
207L96.7Very high97Very high110 Ų11094.2 Ų94.258%0.57650%0.495SS*.Hα-helixtrans-61.3-37.7175.5-74.7172.2000112.2E203 V204 M210 Y211E203-L207 WeakPolarHBondContact O-CB 3.24Å; E203-L207 VanDerWaalsContact O-CG 3.29Å; E203-L207 WeakPolarHBondContact O-CG 3.45Å; E203-L207 PolarHBondContact O-N 2.98Å; V204-L207 PolarHBondContact O-N 3.34Å; L207-M210 PolarHBondContact O-N 3.06Å; L207-Y211 WeakPolarHBondContact O-CB 3.39Å; L207-Y211 PolarHBondContact O-N 3.06Å
208Q97.2Very high97Very high115 Ų11596.5 Ų96.554%0.53750%0.498SS..Hα-helixtrans-65.4-42.1174.1-77.4179.2-400112.1V204 S205 E206 Y211 N212V204-Q208 HydrophobicContact CG1-CG 4.5Å; V204-Q208 WeakPolarHBondContact O-CB 3.32Å; V204-Q208 VanDerWaalsContact O-CG 3.32Å; V204-Q208 WeakPolarHBondContact O-CG 3.28Å; V204-Q208 PolarHBondContact O-N 3.24Å; S205-Q208 PolarHBondContact O-N 3.02Å; E206-Q208 VanDerWaalsContact C-N 3.3Å; E206-Q208 PolarHBondContact O-N 3.44Å; Q208-Y211 PolarHBondContact O-N 3.03Å; Q208-N212 VanDerWaalsContact O-CG 3.24Å; Q208-N212 PolarHBondContact O-N 3.22Å; Q208-N212 PolarHBondContact O-ND2 2.99Å
209R96.4Very high97Very high145 Ų14594 Ų9455%0.54749%0.491SS..Hα-helixtrans-60.8-48.4173.7-173.6-176.367.3-151-6.2110.9S205 E206 Y211 N212 D213S205-R209 PolarHBondContact O-N 3.45Å; E206-R209 WeakPolarHBondContact O-CB 3.49Å; E206-R209 PolarHBondContact O-N 2.96Å; E206-R209 IonicContact OE1-NH2 3.03Å; E206-R209 PolarHBondContact OE1-NH2 2.83Å; R209-Y211 VanDerWaalsContact C-N 3.31Å; R209-Y211 PolarHBondContact O-N 3.32Å; R209-N212 PolarHBondContact O-N 3.45Å; R209-D213 VanDerWaalsContact O-CG 3.28Å; R209-D213 PolarHBondContact O-N 2.79Å
210M96.3Very high97Very high107 Ų10794.9 Ų94.953%0.52749%0.491SS..Hα-helixtrans-60-40.2176.9-71179.866.100112.5E206 L207 A214E206-M210 HydrophobicContact CG-SD 4.34Å; E206-M210 WeakPolarHBondContact O-CG 3.45Å; E206-M210 PolarHBondContact O-N 3.02Å; L207-M210 PolarHBondContact O-N 3.06Å; M210-A214 VanDerWaalsContact O-CB 3.26Å; M210-A214 WeakPolarHBondContact O-CB 3.48Å; M210-A214 PolarHBondContact O-N 2.85Å
211Y97Very high97Very high159 Ų15994 Ų9462%0.62449%0.491SS*.Hα-helixtrans-62.4-47175.2175.6-96.7000111.2L207 Q208 R209 A214 T215L207-Y211 WeakPolarHBondContact O-CB 3.39Å; L207-Y211 PolarHBondContact O-N 3.06Å; Q208-Y211 PolarHBondContact O-N 3.03Å; R209-Y211 VanDerWaalsContact C-N 3.31Å; R209-Y211 PolarHBondContact O-N 3.32Å; Y211-A214 PolarHBondContact O-N 3.08Å; Y211-T215 HydrophobicContact CD1-CG2 4.24Å; Y211-T215 HydrophobicContact CE1-CG2 3.79Å; Y211-T215 HydrophobicContact CE2-CG2 4.18Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 3.37Å; Y211-T215 PolarHBondContact O-OG1 3.41Å
212N97.4Very high97Very high89 Ų8993 Ų9348%0.47649%0.486SS..Hα-helixtrans-61.7-46.9177.8-68.2-20.8000111.2Q208 R209 A214 T215 V216Q208-N212 VanDerWaalsContact O-CG 3.24Å; Q208-N212 PolarHBondContact O-N 3.22Å; Q208-N212 PolarHBondContact O-ND2 2.99Å; R209-N212 PolarHBondContact O-N 3.45Å; N212-A214 VanDerWaalsContact C-N 3.31Å; N212-A214 PolarHBondContact O-N 2.89Å; N212-T215 WeakPolarHBondContact CA-OG1 3.4Å; N212-T215 PolarHBondContact O-N 2.9Å; N212-T215 VanDerWaalsContact O-N 3.12Å; N212-T215 PolarHBondContact O-OG1 2.89Å; N212-V216 WeakPolarHBondContact O-CG2 3.5Å; N212-V216 PolarHBondContact O-N 3.23Å
213D97.3Very high97Very high96 Ų9694.1 Ų94.151%0.51349%0.488SS..Hα-helixtrans-58.7-42.9176.1-67.8-17.7000111.3R209 T215 V216 A217R209-D213 VanDerWaalsContact O-CG 3.28Å; R209-D213 PolarHBondContact O-N 2.79Å; D213-T215 PolarHBondContact O-N 3.49Å; D213-V216 PolarHBondContact O-N 2.67Å; D213-A217 VanDerWaalsContact O-CB 3.3Å; D213-A217 WeakPolarHBondContact O-CB 3.3Å; D213-A217 PolarHBondContact O-N 3.23Å
214A97.2Very high96.9Very high59 Ų5994.3 Ų94.349%0.48849%0.489SS..Hα-helixtrans-65-37.2175.700000112.7M210 Y211 N212 R218M210-A214 VanDerWaalsContact O-CB 3.26Å; M210-A214 WeakPolarHBondContact O-CB 3.48Å; M210-A214 PolarHBondContact O-N 2.85Å; Y211-A214 PolarHBondContact O-N 3.08Å; N212-A214 VanDerWaalsContact C-N 3.31Å; N212-A214 PolarHBondContact O-N 2.89Å; A214-R218 WeakPolarHBondContact O-CB 3.4Å; A214-R218 PolarHBondContact O-N 3.43Å
215T97.2Very high96.8Very high34 Ų3495.3 Ų95.321%0.20949%0.491CS..Hα-helixtrans-67.1-43174.8590000112.1Y211 N212 D213 R218 D219Y211-T215 HydrophobicContact CD1-CG2 4.24Å; Y211-T215 HydrophobicContact CE1-CG2 3.79Å; Y211-T215 HydrophobicContact CE2-CG2 4.18Å; Y211-T215 WeakPolarHBondContact O-CG2 3.47Å; Y211-T215 PolarHBondContact O-N 3.37Å; Y211-T215 PolarHBondContact O-OG1 3.41Å; N212-T215 WeakPolarHBondContact CA-OG1 3.4Å; N212-T215 PolarHBondContact O-N 2.9Å; N212-T215 VanDerWaalsContact O-N 3.12Å; N212-T215 PolarHBondContact O-OG1 2.89Å; D213-T215 PolarHBondContact O-N 3.49Å; T215-R218 WeakPolarHBondContact O-CB 3.35Å; T215-R218 PolarHBondContact O-N 2.99Å; T215-D219 WeakPolarHBondContact O-CB 3.5Å; T215-D219 VanDerWaalsContact O-CG 3.24Å; T215-D219 PolarHBondContact O-N 3.42Å
216V97.1Very high96.8Very high87 Ų8798.6 Ų98.653%0.52750%0.497SS..Hα-helixtrans-64.8-42.9175.8174.80000110.6N212 D213 R218 D219 T220N212-V216 WeakPolarHBondContact O-CG2 3.5Å; N212-V216 PolarHBondContact O-N 3.23Å; D213-V216 PolarHBondContact O-N 2.67Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.49Å; V216-D219 PolarHBondContact O-N 2.96Å; V216-T220 HydrophobicContact CG1-CG2 4.22Å; V216-T220 WeakPolarHBondContact O-CB 3.46Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.38Å; V216-T220 PolarHBondContact O-N 3.22Å; V216-T220 PolarHBondContact O-OG1 3.32Å
217A97.1Very high96.7Very high56 Ų56100.6 Ų100.646%0.46351%0.505SS..Hα-helixtrans-61.2-40.3175.300000112.1D213 T220 A221D213-A217 VanDerWaalsContact O-CB 3.3Å; D213-A217 WeakPolarHBondContact O-CB 3.3Å; D213-A217 PolarHBondContact O-N 3.23Å; A217-T220 WeakPolarHBondContact CA-OG1 3.47Å; A217-T220 PolarHBondContact O-OG1 3.48Å; A217-A221 VanDerWaalsContact O-CB 3.27Å; A217-A221 WeakPolarHBondContact O-CB 3.33Å; A217-A221 PolarHBondContact O-N 3.28Å
218R97.6Very high96.6Very high139 Ų139101 Ų10153%0.52550%0.503SS..Hα-helixtrans-63.6-47174-174.6-159.670.7-179.6-2.3111.4A214 T215 V216 A221 Q222A214-R218 WeakPolarHBondContact O-CB 3.4Å; A214-R218 PolarHBondContact O-N 3.43Å; T215-R218 WeakPolarHBondContact O-CB 3.35Å; T215-R218 PolarHBondContact O-N 2.99Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 3.49Å; R218-A221 PolarHBondContact O-N 3.49Å; R218-Q222 WeakPolarHBondContact O-CB 3.44Å; R218-Q222 WeakPolarHBondContact O-CG 3.33Å; R218-Q222 PolarHBondContact O-N 3Å
219D97.1Very high96.5Very high73 Ų73101 Ų10139%0.3950%0.504SS..Hα-helixtrans-70.3-38.9-174.8-69.3-4.1000111.6T215 V216 Q222 Q223T215-D219 WeakPolarHBondContact O-CB 3.5Å; T215-D219 VanDerWaalsContact O-CG 3.24Å; T215-D219 PolarHBondContact O-N 3.42Å; V216-D219 PolarHBondContact O-N 2.96Å; D219-Q222 PolarHBondContact O-N 2.75Å; D219-Q223 WeakPolarHBondContact O-CB 3.39Å; D219-Q223 PolarHBondContact O-N 3.38Å
220T96.6Very high96.4Very high63 Ų6399.8 Ų99.839%0.38750%0.504SS..Hα-helixtrans-62.5-46.8171.949.70000111.5V216 A217 Q222 Q223 E224V216-T220 HydrophobicContact CG1-CG2 4.22Å; V216-T220 WeakPolarHBondContact O-CB 3.46Å; V216-T220 VanDerWaalsContact O-CG2 3.29Å; V216-T220 WeakPolarHBondContact O-CG2 3.38Å; V216-T220 PolarHBondContact O-N 3.22Å; V216-T220 PolarHBondContact O-OG1 3.32Å; A217-T220 WeakPolarHBondContact CA-OG1 3.47Å; A217-T220 PolarHBondContact O-OG1 3.48Å; T220-Q222 VanDerWaalsContact C-N 3.33Å; T220-Q222 PolarHBondContact O-N 3.38Å; T220-Q223 PolarHBondContact O-N 3.01Å; T220-Q223 VanDerWaalsContact O-N 3.13Å; T220-E224 WeakPolarHBondContact O-CG 3.42Å; T220-E224 PolarHBondContact O-N 3.43Å
221A96.8Very high96.3Very high54 Ų5499.3 Ų99.345%0.44650%0.5SS..Hα-helixtrans-61.3-39.3175.100000112.5A217 R218 L225A217-A221 VanDerWaalsContact O-CB 3.27Å; A217-A221 WeakPolarHBondContact O-CB 3.33Å; A217-A221 PolarHBondContact O-N 3.28Å; R218-A221 PolarHBondContact O-N 3.49Å; A221-L225 VanDerWaalsContact O-CB 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 2.94Å
222Q97.1Very high96.2Very high92 Ų9294.2 Ų94.243%0.4349%0.486SS..Hα-helixtrans-65.7-37.4174-76.5-177.31.400112.4R218 D219 T220 K226R218-Q222 WeakPolarHBondContact O-CB 3.44Å; R218-Q222 WeakPolarHBondContact O-CG 3.33Å; R218-Q222 PolarHBondContact O-N 3Å; D219-Q222 PolarHBondContact O-N 2.75Å; T220-Q222 VanDerWaalsContact C-N 3.33Å; T220-Q222 PolarHBondContact O-N 3.38Å; Q222-K226 VanDerWaalsContact O-CG 3.31Å; Q222-K226 WeakPolarHBondContact O-CG 3.44Å; Q222-K226 PolarHBondContact O-N 3.31Å
223Q96.5Very high96.1Very high138 Ų13892 Ų9265%0.64548%0.48SS*.Hα-helixtrans-69.7-43.9177.2-173.6174.94.400111.7D219 T220 L225 K226 F227D219-Q223 WeakPolarHBondContact O-CB 3.39Å; D219-Q223 PolarHBondContact O-N 3.38Å; T220-Q223 PolarHBondContact O-N 3.01Å; T220-Q223 VanDerWaalsContact O-N 3.13Å; Q223-L225 VanDerWaalsContact C-N 3.34Å; Q223-K226 PolarHBondContact O-N 2.95Å; Q223-F227 WeakPolarHBondContact O-CB 3.39Å; Q223-F227 PolarHBondContact O-N 3.38Å
224E95.5Very high95.9Very high121 Ų12190.6 Ų90.657%0.56547%0.472SS*.Hα-helixtrans-60.9-43.5173.7-73.8-177.4178.700111.4T220 F227 Q228T220-E224 WeakPolarHBondContact O-CG 3.42Å; T220-E224 PolarHBondContact O-N 3.43Å; E224-F227 PolarHBondContact O-N 2.83Å; E224-Q228 WeakPolarHBondContact O-CB 3.38Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 2.84Å
225L95.1Very high95.7Very high95 Ų9591.9 Ų91.950%0.49747%0.468SS..Hα-helixtrans-58.5-49.2174.8-174.7116.3000111A221 Q223 F227 Q228 E229A221-L225 VanDerWaalsContact O-CB 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.4Å; A221-L225 PolarHBondContact O-N 2.94Å; Q223-L225 VanDerWaalsContact C-N 3.34Å; L225-F227 PolarHBondContact O-N 2.8Å; L225-Q228 PolarHBondContact O-N 3.04Å; L225-E229 WeakPolarHBondContact CD2-OE1 3.46Å; L225-E229 HydrophobicContact CG-CG 4.48Å; L225-E229 WeakPolarHBondContact O-CB 3.35Å; L225-E229 VanDerWaalsContact O-CG 3.26Å; L225-E229 WeakPolarHBondContact O-CG 3.25Å; L225-E229 PolarHBondContact O-N 2.86Å
226K96Very high95.5Very high137 Ų13797.2 Ų97.260%0.59649%0.485SS*.Hα-helixtrans-59.4-43.6176.4-76.2175.7-178.1177.40112.4Q222 Q223 E229 E230Q222-K226 VanDerWaalsContact O-CG 3.31Å; Q222-K226 WeakPolarHBondContact O-CG 3.44Å; Q222-K226 PolarHBondContact O-N 3.31Å; Q223-K226 PolarHBondContact O-N 2.95Å; K226-E229 PolarHBondContact O-N 2.85Å; K226-E230 WeakPolarHBondContact O-CB 3.27Å; K226-E230 PolarHBondContact O-N 2.87Å
227F95.6Very high95.4Very high143 Ų14399.8 Ų99.863%0.62749%0.485SS*.Hα-helixtrans-63.5-44.1178177.9-97.3000111.6Q223 E224 L225 E230 H231Q223-F227 WeakPolarHBondContact O-CB 3.39Å; Q223-F227 PolarHBondContact O-N 3.38Å; E224-F227 PolarHBondContact O-N 2.83Å; L225-F227 PolarHBondContact O-N 2.8Å; F227-E230 PolarHBondContact O-N 3.39Å; F227-H231 VanDerWaalsContact O-CB 3.25Å; F227-H231 WeakPolarHBondContact O-CB 3.33Å; F227-H231 PolarHBondContact O-N 3.47Å
228Q95Very high95.2Very high118 Ų118105.1 Ų105.155%0.55149%0.493SS*.Hα-helixtrans-66.4-39.9176.7-71.8-179.915.900112.1E224 L225 H231 T232E224-Q228 WeakPolarHBondContact O-CB 3.38Å; E224-Q228 VanDerWaalsContact O-CG 3.31Å; E224-Q228 WeakPolarHBondContact O-CG 3.46Å; E224-Q228 PolarHBondContact O-N 2.84Å; L225-Q228 PolarHBondContact O-N 3.04Å; Q228-H231 PolarHBondContact O-N 2.96Å; Q228-T232 VanDerWaalsContact O-CB 3.24Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 3.24Å; Q228-T232 PolarHBondContact O-OG1 3.29Å
229E95.1Very high94.9Very high116 Ų116104.1 Ų104.154%0.54249%0.489SS..Hα-helixtrans-60.9-46.9173.8-76.6177.9161.900111.2L225 K226 T232 A233L225-E229 WeakPolarHBondContact CD2-OE1 3.46Å; L225-E229 HydrophobicContact CG-CG 4.48Å; L225-E229 WeakPolarHBondContact O-CB 3.35Å; L225-E229 VanDerWaalsContact O-CG 3.26Å; L225-E229 WeakPolarHBondContact O-CG 3.25Å; L225-E229 PolarHBondContact O-N 2.86Å; K226-E229 PolarHBondContact O-N 2.85Å; E229-T232 PolarHBondContact O-N 3.37Å; E229-A233 VanDerWaalsContact O-CB 3.28Å; E229-A233 WeakPolarHBondContact O-CB 3.39Å; E229-A233 PolarHBondContact O-N 3.45Å
230E94.6Very high94.6Very high120 Ų120106.7 Ų106.756%0.56150%0.499SS*.Hα-helixtrans-65.2-45.1177.4-171-175.816900111.7K226 F227 T232 A233 N234K226-E230 WeakPolarHBondContact O-CB 3.27Å; K226-E230 PolarHBondContact O-N 2.87Å; F227-E230 PolarHBondContact O-N 3.39Å; E230-T232 VanDerWaalsContact C-N 3.34Å; E230-T232 PolarHBondContact O-N 3.46Å; E230-A233 PolarHBondContact O-N 2.95Å; E230-N234 WeakPolarHBondContact O-CB 3.33Å; E230-N234 PolarHBondContact O-N 3.26Å; E230-N234 PolarHBondContact O-ND2 3.47Å
231H94.7Very high94.5Very high96 Ų96108 Ų10844%0.44450%0.503SS..Hα-helixtrans-58.5-47.5175.9-176.475.6000110.9F227 Q228 A233 N234 E235F227-H231 VanDerWaalsContact O-CB 3.25Å; F227-H231 WeakPolarHBondContact O-CB 3.33Å; F227-H231 PolarHBondContact O-N 3.47Å; Q228-H231 PolarHBondContact O-N 2.96Å; H231-A233 VanDerWaalsContact C-N 3.34Å; H231-A233 PolarHBondContact O-N 2.95Å; H231-N234 PolarHBondContact O-N 3.18Å; H231-E235 IonicContact NE2-OE1 3.4Å; H231-E235 PolarHBondContact O-N 2.93Å
232T93.8Very high94.2Very high52 Ų52109.5 Ų109.532%0.31950%0.501SS..Hα-helixtrans-63.4-39.8177.3-55.90000111.5Q228 E229 E230 R236Q228-T232 VanDerWaalsContact O-CB 3.24Å; Q228-T232 WeakPolarHBondContact O-CB 3.36Å; Q228-T232 PolarHBondContact O-N 3.24Å; Q228-T232 PolarHBondContact O-OG1 3.29Å; E229-T232 PolarHBondContact O-N 3.37Å; E230-T232 VanDerWaalsContact C-N 3.34Å; E230-T232 PolarHBondContact O-N 3.46Å; T232-R236 WeakPolarHBondContact O-CB 3.23Å; T232-R236 VanDerWaalsContact O-CG 3.28Å; T232-R236 WeakPolarHBondContact O-CG 3.43Å; T232-R236 PolarHBondContact O-N 3.5Å
233A94.6Very high93.9Very high43 Ų43110.4 Ų110.436%0.35551%0.508SS..Hα-helixtrans-66.7-40.7176.300000112.2E229 E230 H231 R236 R237E229-A233 VanDerWaalsContact O-CB 3.28Å; E229-A233 WeakPolarHBondContact O-CB 3.39Å; E229-A233 PolarHBondContact O-N 3.45Å; E230-A233 PolarHBondContact O-N 2.95Å; H231-A233 VanDerWaalsContact C-N 3.34Å; H231-A233 PolarHBondContact O-N 2.95Å; A233-R236 PolarHBondContact O-N 2.91Å; A233-R237 WeakPolarHBondContact O-CB 3.43Å; A233-R237 PolarHBondContact O-N 3.32Å
234N94.2Very high93.6Very high66 Ų66106.4 Ų106.435%0.35350%0.499SS..Hα-helixtrans-68.2-42.4176.8-75.7-25.8000111.7E230 H231 R237 R238E230-N234 WeakPolarHBondContact O-CB 3.33Å; E230-N234 PolarHBondContact O-N 3.26Å; E230-N234 PolarHBondContact O-ND2 3.47Å; H231-N234 PolarHBondContact O-N 3.18Å; N234-R237 PolarHBondContact O-N 3.29Å; N234-R237 PolarHBondContact OD1-NH1 3.43Å; N234-R238 WeakPolarHBondContact O-CB 3.36Å; N234-R238 PolarHBondContact O-N 2.89Å
235E93.2Very high93.4Very high86 Ų86104.3 Ų104.340%0.40249%0.491SS..Hα-helixtrans-61.9-43.2171.9-76.7-153148.900111.9H231 R238 R239H231-E235 IonicContact NE2-OE1 3.4Å; H231-E235 PolarHBondContact O-N 2.93Å; E235-R238 PolarHBondContact O-N 3.21Å; E235-R239 WeakPolarHBondContact O-CB 2.91Å; E235-R239 VanDerWaalsContact O-CG 3.3Å; E235-R239 WeakPolarHBondContact O-CG 2.88Å; E235-R239 PolarHBondContact O-N 2.92Å; E235-R239 IonicContact OE2-CZ 2.8Å; E235-R239 IonicContact OE2-NH2 2.8Å; E235-R239 PolarHBondContact OE2-NH2 3.25Å
236R93.4Very high92.9Very high147 Ų147105.4 Ų105.456%0.55550%0.495SS*.Hα-helixtrans-58.4-47.5173.6-78.7-179.8-164.1160.96.6110.9T232 A233 R238 R239 E240T232-R236 WeakPolarHBondContact O-CB 3.23Å; T232-R236 VanDerWaalsContact O-CG 3.28Å; T232-R236 WeakPolarHBondContact O-CG 3.43Å; T232-R236 PolarHBondContact O-N 3.5Å; A233-R236 PolarHBondContact O-N 2.91Å; R236-R238 PolarHBondContact O-N 2.91Å; R236-R239 PolarHBondContact O-N 2.92Å; R236-E240 WeakPolarHBondContact O-CB 3.41Å; R236-E240 WeakPolarHBondContact O-CG 3.41Å; R236-E240 PolarHBondContact O-N 3.27Å
237R94.4Very high92.5Very high140 Ų140105.4 Ų105.453%0.52850%0.495SS..Hα-helixtrans-60.9-43.2177.6-169.2-175-66.1130.2-0.4111.8A233 N234 E240 I241A233-R237 WeakPolarHBondContact O-CB 3.43Å; A233-R237 PolarHBondContact O-N 3.32Å; N234-R237 PolarHBondContact O-N 3.29Å; N234-R237 PolarHBondContact OD1-NH1 3.43Å; R237-E240 PolarHBondContact O-N 3.49Å; R237-I241 HydrophobicContact CG-CD1 4.2Å; R237-I241 VanDerWaalsContact O-CG1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.48Å; R237-I241 PolarHBondContact O-N 3.32Å
238R93.4Very high92Very high168 Ų168107.1 Ų107.163%0.63450%0.497SS*.Hα-helixtrans-61.1-48175.4-179.1-176.3165.2-172.7-4.1110.9N234 E235 R236 E240 I241 E242N234-R238 WeakPolarHBondContact O-CB 3.36Å; N234-R238 PolarHBondContact O-N 2.89Å; E235-R238 PolarHBondContact O-N 3.21Å; R236-R238 PolarHBondContact O-N 2.91Å; R238-E240 VanDerWaalsContact C-N 3.32Å; R238-E240 PolarHBondContact O-N 2.83Å; R238-I241 PolarHBondContact O-N 3.39Å; R238-E242 IonicContact CZ-OE1 3.96Å; R238-E242 IonicContact NE-OE1 3.02Å; R238-E242 PolarHBondContact NE-OE1 3.48Å; R238-E242 IonicContact NH2-OE1 3.06Å; R238-E242 PolarHBondContact NH2-OE1 3.35Å; R238-E242 VanDerWaalsContact NH2-OE1 3.1Å; R238-E242 WeakPolarHBondContact O-CG 3.47Å; R238-E242 PolarHBondContact O-N 3.33Å
239R90.3Very high91.5Very high118 Ų118105.8 Ų105.845%0.44549%0.493SS..Hα-helixtrans-60.8-40.3175.8-74.2-176.7-114.3135.6-8.4111.7E235 R236 E242 L243E235-R239 WeakPolarHBondContact O-CB 2.91Å; E235-R239 VanDerWaalsContact O-CG 3.3Å; E235-R239 WeakPolarHBondContact O-CG 2.88Å; E235-R239 PolarHBondContact O-N 2.92Å; E235-R239 IonicContact OE2-CZ 2.8Å; E235-R239 IonicContact OE2-NH2 2.8Å; E235-R239 PolarHBondContact OE2-NH2 3.25Å; R236-R239 PolarHBondContact O-N 2.92Å; R239-E242 PolarHBondContact O-N 3.48Å; R239-L243 WeakPolarHBondContact O-CB 3.17Å; R239-L243 WeakPolarHBondContact O-CG 3.49Å; R239-L243 PolarHBondContact O-N 2.87Å
240E91.8Very high90.8Very high127 Ų127103 Ų10359%0.59349%0.49SS*.Hα-helixtrans-63-42.1175-78.1172.1-172.800112R236 R237 R238 A244R236-E240 WeakPolarHBondContact O-CB 3.41Å; R236-E240 WeakPolarHBondContact O-CG 3.41Å; R236-E240 PolarHBondContact O-N 3.27Å; R237-E240 PolarHBondContact O-N 3.49Å; R238-E240 VanDerWaalsContact C-N 3.32Å; R238-E240 PolarHBondContact O-N 2.83Å; E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.9Å
241I93.1Very high90.1Very high92 Ų92103 Ų10347%0.47249%0.49SS..Hα-helixtrans-65.9-46.9175.9-67.6163.8000110.8R237 R238 A244 N245R237-I241 HydrophobicContact CG-CD1 4.2Å; R237-I241 VanDerWaalsContact O-CG1 3.27Å; R237-I241 WeakPolarHBondContact O-CG1 3.48Å; R237-I241 PolarHBondContact O-N 3.32Å; R238-I241 PolarHBondContact O-N 3.39Å; I241-A244 PolarHBondContact O-N 3.26Å; I241-N245 WeakPolarHBondContact O-CB 3.23Å; I241-N245 VanDerWaalsContact O-CG 3.31Å; I241-N245 PolarHBondContact O-N 2.85Å; I241-N245 PolarHBondContact O-ND2 2.92Å
242E92.2Very high89.1Confident85 Ų85100.2 Ų100.240%0.39749%0.488SS..Hα-helixtrans-60.8-45.1176.7-73.4174.9-175.400111R238 R239 N245 M246R238-E242 IonicContact CZ-OE1 3.96Å; R238-E242 IonicContact NE-OE1 3.02Å; R238-E242 PolarHBondContact NE-OE1 3.48Å; R238-E242 IonicContact NH2-OE1 3.06Å; R238-E242 PolarHBondContact NH2-OE1 3.35Å; R238-E242 VanDerWaalsContact NH2-OE1 3.1Å; R238-E242 WeakPolarHBondContact O-CG 3.47Å; R238-E242 PolarHBondContact O-N 3.33Å; R239-E242 PolarHBondContact O-N 3.48Å; E242-N245 PolarHBondContact O-N 2.89Å; E242-M246 WeakPolarHBondContact O-CB 3.23Å; E242-M246 WeakPolarHBondContact O-CG 3.49Å; E242-M246 PolarHBondContact O-N 2.88Å
243L89Confident88Confident110 Ų110104.7 Ų104.758%0.57650%0.502SS*.Hα-helixtrans-63.6-39.7174.3-75.8171.3000112.1R239 M246 K247R239-L243 WeakPolarHBondContact O-CB 3.17Å; R239-L243 WeakPolarHBondContact O-CG 3.49Å; R239-L243 PolarHBondContact O-N 2.87Å; L243-M246 PolarHBondContact O-N 3.08Å; L243-K247 VanDerWaalsContact O-CB 3.28Å; L243-K247 WeakPolarHBondContact O-CB 3.5Å; L243-K247 VanDerWaalsContact O-CG 3.27Å; L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.46Å
244A91.3Very high86.5Confident55 Ų55108.5 Ų108.546%0.45551%0.511SS..Hα-helixtrans-66.9-39.9176.400000111.6E240 I241 K247 R248E240-A244 WeakPolarHBondContact O-CB 3.42Å; E240-A244 PolarHBondContact O-N 2.9Å; I241-A244 PolarHBondContact O-N 3.26Å; A244-K247 PolarHBondContact O-N 3.43Å; A244-R248 WeakPolarHBondContact O-CB 3.49Å; A244-R248 PolarHBondContact O-N 3.23Å
245N90.4Very high84.8Confident77 Ų77111 Ų11141%0.41252%0.524SS..Hα-helixtrans-65.2-45.2174.2-75.6-23.4000111.3I241 E242 K247 R248 I249I241-N245 WeakPolarHBondContact O-CB 3.23Å; I241-N245 VanDerWaalsContact O-CG 3.31Å; I241-N245 PolarHBondContact O-N 2.85Å; I241-N245 PolarHBondContact O-ND2 2.92Å; E242-N245 PolarHBondContact O-N 2.89Å; N245-K247 VanDerWaalsContact C-N 3.35Å; N245-R248 PolarHBondContact O-N 3.11Å; N245-I249 WeakPolarHBondContact O-CG1 3.4Å; N245-I249 PolarHBondContact O-N 3.41Å
246M84.6Confident83.1Confident117 Ų117110.2 Ų110.258%0.57653%0.532SS*.Hα-helixtrans-64.3-39.1175-73.3-55.9-61.200111.9E242 L243 I249 A250E242-M246 WeakPolarHBondContact O-CB 3.23Å; E242-M246 WeakPolarHBondContact O-CG 3.49Å; E242-M246 PolarHBondContact O-N 2.88Å; L243-M246 PolarHBondContact O-N 3.08Å; M246-I249 PolarHBondContact O-N 2.96Å; M246-I249 HydrophobicContact SD-CD1 4.24Å; M246-A250 WeakPolarHBondContact O-CB 3.26Å; M246-A250 PolarHBondContact O-N 3.29Å
247K87.4Confident81.3Confident137 Ų137106.8 Ų106.860%0.59653%0.527SS*.Hα-helixtrans-61.6-43.6170.9-81.5-180-179.6-177.80111.4L243 A244 N245 I249 A250 E251L243-K247 VanDerWaalsContact O-CB 3.28Å; L243-K247 WeakPolarHBondContact O-CB 3.5Å; L243-K247 VanDerWaalsContact O-CG 3.27Å; L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.46Å; A244-K247 PolarHBondContact O-N 3.43Å; N245-K247 VanDerWaalsContact C-N 3.35Å; K247-I249 PolarHBondContact O-N 3.11Å; K247-A250 CarbonylContact O-C 3.51Å; K247-A250 PolarHBondContact O-N 3.44Å; K247-E251 VanDerWaalsContact O-CB 3.24Å; K247-E251 WeakPolarHBondContact O-CB 3.3Å; K247-E251 VanDerWaalsContact O-CG 3.29Å; K247-E251 WeakPolarHBondContact O-CG 3.33Å; K247-E251 PolarHBondContact O-N 2.83Å
248R86.4Confident79.2Confident180 Ų180102.8 Ų102.868%0.67952%0.516SS*.Hα-helixtrans-63.1-39.8176-177.2-175.7-98.5145-9.3111.9A244 N245 G252A244-R248 WeakPolarHBondContact O-CB 3.49Å; A244-R248 PolarHBondContact O-N 3.23Å; N245-R248 PolarHBondContact O-N 3.11Å; R248-G252 PolarHBondContact O-N 3.49Å
249I84Confident77.2Confident90 Ų90105.7 Ų105.746%0.46253%0.527SS..Hα-helixtrans-67.3-43.8174.3-66.5165.9000110.3N245 M246 K247 G252 K253N245-I249 WeakPolarHBondContact O-CG1 3.4Å; N245-I249 PolarHBondContact O-N 3.41Å; M246-I249 PolarHBondContact O-N 2.96Å; M246-I249 HydrophobicContact SD-CD1 4.24Å; K247-I249 PolarHBondContact O-N 3.11Å; I249-G252 PolarHBondContact O-N 3.39Å; I249-K253 HydrophobicContact CG2-CD 4.32Å; I249-K253 WeakPolarHBondContact O-CB 3.42Å; I249-K253 WeakPolarHBondContact O-CG 3.31Å; I249-K253 PolarHBondContact O-N 3.06Å
250A80.2Confident75.3Confident57 Ų57104.9 Ų104.947%0.47154%0.539SS..Hα-helixtrans-65-40.9177.900000111.4M246 K247 K253 K254M246-A250 WeakPolarHBondContact O-CB 3.26Å; M246-A250 PolarHBondContact O-N 3.29Å; K247-A250 CarbonylContact O-C 3.51Å; K247-A250 PolarHBondContact O-N 3.44Å; A250-K253 PolarHBondContact O-N 3.46Å; A250-K254 WeakPolarHBondContact O-CA 3.5Å; A250-K254 WeakPolarHBondContact O-CB 3.5Å; A250-K254 PolarHBondContact O-N 3.36Å
251E79.2Confident72.9Confident119 Ų119103.3 Ų103.356%0.55654%0.535SS*.Hα-helixtrans-68.1-37.3172.7-77.3175.3-17800111.3K247 K254 L255K247-E251 VanDerWaalsContact O-CB 3.24Å; K247-E251 WeakPolarHBondContact O-CB 3.3Å; K247-E251 VanDerWaalsContact O-CG 3.29Å; K247-E251 WeakPolarHBondContact O-CG 3.33Å; K247-E251 PolarHBondContact O-N 2.83Å; E251-K254 CarbonylContact O-C 3.58Å; E251-K254 PolarHBondContact O-N 3.31Å; E251-L255 VanDerWaalsContact O-CB 3.27Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 WeakPolarHBondContact O-CD1 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.34Å; E251-L255 PolarHBondContact O-N 3Å
252G74.7Confident70.5Confident39 Ų39108.9 Ų108.940%0.40255%0.552SS.*Hα-helixtrans-64.9-42.3173.400000112.1R248 I249 L255 A256R248-G252 PolarHBondContact O-N 3.49Å; I249-G252 PolarHBondContact O-N 3.39Å; G252-L255 PolarHBondContact O-N 2.84Å; G252-A256 PolarHBondContact O-N 2.88Å; G252-A256 VanDerWaalsContact O-N 3.08Å
253K70.2Confident68.2Low145 Ų145113 Ų11363%0.6357%0.571SS**Hα-helixtrans-68.9-38.8172.4-72.3-178.1179.5-175.40111.4I249 A250 L255 A256 V257I249-K253 HydrophobicContact CG2-CD 4.32Å; I249-K253 WeakPolarHBondContact O-CB 3.42Å; I249-K253 WeakPolarHBondContact O-CG 3.31Å; I249-K253 PolarHBondContact O-N 3.06Å; A250-K253 PolarHBondContact O-N 3.46Å; K253-L255 VanDerWaalsContact C-N 3.32Å; K253-A256 WeakPolarHBondContact O-CB 3.32Å; K253-A256 PolarHBondContact O-N 3.21Å; K253-V257 WeakPolarHBondContact O-CB 3.02Å; K253-V257 VanDerWaalsContact O-CG2 3.28Å; K253-V257 WeakPolarHBondContact O-CG2 2.68Å; K253-V257 PolarHBondContact O-N 3.46Å
254K63.3Low65.8Low124 Ų124116.8 Ų116.854%0.53959%0.586SS.*Hα-helixtrans-68.6-30.1175-166.2-174.3173-167.30111A250 E251 V257 D258A250-K254 WeakPolarHBondContact O-CA 3.5Å; A250-K254 WeakPolarHBondContact O-CB 3.5Å; A250-K254 PolarHBondContact O-N 3.36Å; E251-K254 CarbonylContact O-C 3.58Å; E251-K254 PolarHBondContact O-N 3.31Å; K254-V257 CarbonylContact O-C 3.34Å; K254-V257 PolarHBondContact O-N 3.31Å; K254-D258 WeakPolarHBondContact CE-OD2 3.27Å; K254-D258 WeakPolarHBondContact O-CA 3.34Å; K254-D258 WeakPolarHBondContact O-CB 3.27Å; K254-D258 PolarHBondContact O-N 2.85Å
255L59Low63.2Low118 Ų118117.9 Ų117.962%0.61860%0.602SS**Hα-helixtrans-74.1-29.9172.3-78.2163.1000111.8E251 G252 K253 R259E251-L255 VanDerWaalsContact O-CB 3.27Å; E251-L255 WeakPolarHBondContact O-CB 3.5Å; E251-L255 WeakPolarHBondContact O-CD1 3.28Å; E251-L255 WeakPolarHBondContact O-CG 3.34Å; E251-L255 PolarHBondContact O-N 3Å; G252-L255 PolarHBondContact O-N 2.84Å; K253-L255 VanDerWaalsContact C-N 3.32Å; L255-R259 PolarHBondContact O-N 3.33Å; L255-R259 VanDerWaalsContact O-N 3.16Å
256A57.1Low60.6Low69 Ų69124.6 Ų124.657%0.5762%0.622SS**Hα-helixtrans-71.9-35.1170.300000112.2G252 K253G252-A256 PolarHBondContact O-N 2.88Å; G252-A256 VanDerWaalsContact O-N 3.08Å; K253-A256 WeakPolarHBondContact O-CB 3.32Å; K253-A256 PolarHBondContact O-N 3.21Å
257V54.6Low58.3Low75 Ų75126.2 Ų126.246%0.45563%0.628SS.*Hα-helixtrans-83.2-36.1177.2173.70000111.7K253 K254 R259 S260 D261K253-V257 WeakPolarHBondContact O-CB 3.02Å; K253-V257 VanDerWaalsContact O-CG2 3.28Å; K253-V257 WeakPolarHBondContact O-CG2 2.68Å; K253-V257 PolarHBondContact O-N 3.46Å; K254-V257 CarbonylContact O-C 3.34Å; K254-V257 PolarHBondContact O-N 3.31Å; V257-R259 VanDerWaalsContact C-N 3.29Å; V257-R259 PolarHBondContact O-N 2.86Å; V257-S260 CarbonylContact O-C 3.54Å; V257-S260 VanDerWaalsContact O-CA 3.28Å; V257-S260 WeakPolarHBondContact O-CA 3.49Å; V257-S260 WeakPolarHBondContact O-CB 3.37Å; V257-S260 PolarHBondContact O-N 3.35Å; V257-D261 HydrophobicContact CG1-CB 4.5Å; V257-D261 WeakPolarHBondContact CG1-OD2 3.26Å; V257-D261 WeakPolarHBondContact O-CB 3.35Å; V257-D261 PolarHBondContact O-N 3.09Å
258D51.2Low56Low56 Ų56125.2 Ų125.230%0.29964%0.638SS.*Hα-helixtrans-68.7-27.2174.6-89.8-17000110.5K254 S260 D261 Y262K254-D258 WeakPolarHBondContact CE-OD2 3.27Å; K254-D258 WeakPolarHBondContact O-CA 3.34Å; K254-D258 WeakPolarHBondContact O-CB 3.27Å; K254-D258 PolarHBondContact O-N 2.85Å; D258-S260 PolarHBondContact O-N 2.85Å; D258-D261 PolarHBondContact O-N 2.88Å; D258-Y262 WeakPolarHBondContact O-CD2 3.44Å; D258-Y262 PolarHBondContact O-N 3.25Å
259R52Low53.9Low230 Ų230122.1 Ų122.187%0.86864%0.642SS**THydrogen-bonded Turntrans-63.1-20.1166-102.3-174.8175.2171.8-0.3112.8L255 V257L255-R259 PolarHBondContact O-N 3.33Å; L255-R259 VanDerWaalsContact O-N 3.16Å; V257-R259 VanDerWaalsContact C-N 3.29Å; V257-R259 PolarHBondContact O-N 2.86Å
260S48.6Very low52Low100 Ų100123.1 Ų123.170%0.69965%0.654SS**THydrogen-bonded Turntrans-105.8-19.7175.3-160.90000113.6V257 D258V257-S260 CarbonylContact O-C 3.54Å; V257-S260 VanDerWaalsContact O-CA 3.28Å; V257-S260 WeakPolarHBondContact O-CA 3.49Å; V257-S260 WeakPolarHBondContact O-CB 3.37Å; V257-S260 PolarHBondContact O-N 3.35Å; D258-S260 PolarHBondContact O-N 2.85Å
261D42.8Very low50Low94 Ų94126 Ų12650%0.50367%0.671SS.*  trans-117.930-173.3-70.2-18.3000112.2V257 D258 Q263V257-D261 HydrophobicContact CG1-CB 4.5Å; V257-D261 WeakPolarHBondContact CG1-OD2 3.26Å; V257-D261 WeakPolarHBondContact O-CB 3.35Å; V257-D261 PolarHBondContact O-N 3.09Å; D258-D261 PolarHBondContact O-N 2.88Å; D261-Q263 PolarHBondContact O-N 3.07Å
262Y43Very low47.8Very low209 Ų209124 Ų12482%0.8267%0.674SS**  trans-68.640.3170-120.9-73.6000112.4D258D258-Y262 WeakPolarHBondContact O-CD2 3.44Å; D258-Y262 PolarHBondContact O-N 3.25Å
263Q43.6Very low45.9Very low171 Ų171129.4 Ų129.480%0.79969%0.694SS**SBendtrans-157.2114.1173.1-99.9167.929.700108.5D261D261-Q263 PolarHBondContact O-N 3.07Å
264Q39.4Very low44.3Very low190 Ų190127.4 Ų127.489%0.88869%0.693SS**  trans83.997.9178.6-50174.815.200113.4
265G36.4Very low42.9Very low78 Ų78129.8 Ų129.880%0.80471%0.707SS**  cis73125.549.500000109.6
266R35.1Very low41.7Very low218 Ų218130.1 Ų130.182%0.82372%0.719SS**  cis-177.91613.1-160.2-170.4-175.6-144.512.8105
267E37.2Very low40.4Very low152 Ų152129.8 Ų129.871%0.7172%0.722SS**  trans78.8142.7160.8-49.1174.6-175.700117
268S37.6Very low39.3Very low115 Ų115131.4 Ų131.480%0.80474%0.737SS**  cis171.1160.8-26.2-99.30000106.2
269P42.8Very low38.6Very low116 Ų116135.4 Ų135.475%0.75376%0.756SS**  trans-115.3-138-151.333.9-13.2000112.2
270P45.2Very low37.7Very low110 Ų110133.4 Ų133.471%0.71476%0.757SS**  -120.4-176-73.130.8-11.7000112.4
271S36.8Very low37Very low119 Ų119132 Ų13283%0.83276%0.758SS**  trans151.4157149.7-80.20000109.7
272A33.7Very low36.4Very low75 Ų75135.2 Ų135.262%0.6278%0.775SS**  cis177.5154.8-18.100000104.5
273N34.8Very low35.9Very low154 Ų154130.2 Ų130.282%0.82477%0.771SS**  trans72.1148.8154.6-73.7-1000118.8
274V35.5Very low35.4Very low102 Ų102129.7 Ų129.762%0.61877%0.772SS**  cis-174.4169.9-2.5133.30000106.2
275Q35.6Very low35.1Very low175 Ų175123.5 Ų123.582%0.81876%0.759SS**  trans85.4107.6167.3-81.7150.26.400115.7
276S32.6Very low34.9Very low125 Ų125126.9 Ų126.987%0.87476%0.764SS**  54.8119.952.5-156.50000111.7
277G31.3Very low34.9Very low61 Ų61120.3 Ų120.363%0.62976%0.764SS**  cis172.1-171.66.500000108.7
278S31.7Very low34.8Very low110 Ų110120.3 Ų120.377%0.76976%0.764SS**  trans82.8123169.2810000117.8
279I35.1Very low34.7Very low139 Ų139124.3 Ų124.371%0.71376%0.762SS**  171.7126.8106.2-84.9160.9000110.6
280Q33.9Very low34.4Very low188 Ų188125.1 Ų125.188%0.87976%0.758SS**  trans39.1151.3142.4-67.2169.9-66.200124.8
281G33.1Very low33.9Very low70 Ų70125.6 Ų125.672%0.72276%0.764SS**  trans130.298152.500000109.6
282D29.6Very low33.7Very low163 Ų163122.9 Ų122.987%0.87276%0.755SS**  59.8114.153.9-136.614.5000114.7
283S32.6Very low33.6Very low103 Ų103126.4 Ų126.472%0.7277%0.769SS**  trans55.5129.6151.1-157.30000121.9
284I34.6Very low33.6Very low161 Ų161123.1 Ų123.183%0.82677%0.772SS**  trans178.8115.7143.8-94151.4000105.7
285G31.7Very low33.5Very low59 Ų59121.9 Ų121.961%0.60878%0.779SS**  65.6117.678.200000109.6
286T33.4Very low33.7Very low150 Ų150120.2 Ų120.292%0.9278%0.781SS**  149.8148.274.8-20.90000104.2
287G34.7Very low34.1Very low80 Ų80120 Ų12083%0.82578%0.78SS**  trans163.873.9168.200000115.6
288E35Very low35.3Very low152 Ų152121.2 Ų121.271%0.7177%0.77SS**  trans-75.9159.5176-160.7-170.9-152.100112.2
289R35.9Very low36.9Very low198 Ų198120 Ų12075%0.74776%0.759SS**  trans95.9144.8151.8-54.3179.9-171.2-151.4-3.9118.5
290I36.3Very low38.3Very low134 Ų134121.3 Ų121.369%0.68776%0.762SS**  cis-174.2155-10.1-102.8162.9000105.3
291S33.7Very low40Very low119 Ų119118.2 Ų118.283%0.83275%0.747SS**  trans71132.5161.2-76.70000118.4
292G32.2Very low41.5Very low63 Ų63119.9 Ų119.965%0.64974%0.736SS**  cis122.6115.311.500000110.1
293T33.3Very low43.3Very low149 Ų149116.3 Ų116.391%0.91472%0.715SS**  trans164.1109.6158.534.30000106.5
294G33.2Very low45.5Very low85 Ų85117.9 Ų117.988%0.87671%0.712SS**  90.3129.871.100000108.5
295G34.1Very low47.8Very low75 Ų75115.3 Ų115.377%0.77370%0.695SS**  cis164.8132.2500000105.1
296V40.1Very low50Low141 Ų141115.2 Ų115.286%0.85568%0.68SS**  trans-125125.2174179.80000108.2
297S41.6Very low52.5Low121 Ų121111.1 Ų111.185%0.84666%0.657SS**  trans-58.7120.8-170.9177.30000114.2
298I55.7Low55Low85 Ų85114.2 Ų114.244%0.43665%0.648SS.*  trans-120.7139.2170.1-69.8166.3000107.9Q302 I306I298-Q302 HydrophobicContact CG2-CB 3.52Å; I298-I306 HydrophobicContact CD1-CD1 4.31Å; I298-I306 HydrophobicContact CG2-CD1 3.75Å
299T66.1Low57.5Low86 Ų86115 Ų11553%0.52865%0.645SS.*  trans-62.4148.1-173.250.90000113.2E301 Q302 Q303T299-E301 VanDerWaalsContact C-N 3.29Å; T299-E301 PolarHBondContact O-N 3.22Å; T299-E301 VanDerWaalsContact O-N 3.17Å; T299-Q302 CarbonylContact O-C 3.55Å; T299-Q302 WeakPolarHBondContact O-CA 3.32Å; T299-Q302 WeakPolarHBondContact O-CB 3.41Å; T299-Q302 PolarHBondContact O-N 3.14Å; T299-Q302 VanDerWaalsContact OG1-CG 3.25Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.44Å; T299-Q302 PolarHBondContact OG1-OE1 3.42Å; T299-Q303 PolarHBondContact O-N 3.38Å
300E63.5Low59.8Low166 Ų166110.3 Ų110.378%0.77663%0.632SS**Hα-helixtrans-57-34.6-171-156.2171.2-157.800114.1Q303 M304E300-Q303 PolarHBondContact O-N 2.97Å; E300-M304 PolarHBondContact O-N 3.44Å
301E69.8Low62.3Low123 Ų123110.4 Ų110.458%0.57563%0.63SS**Hα-helixtrans-74.5-35.7175.4-152.5-161146.900112.6T299 Q303 K305T299-E301 VanDerWaalsContact C-N 3.29Å; T299-E301 PolarHBondContact O-N 3.22Å; T299-E301 VanDerWaalsContact O-N 3.17Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; E301-K305 PolarHBondContact O-N 3.03Å; E301-K305 VanDerWaalsContact O-N 3.15Å; E301-K305 IonicContact OE1-NZ 2.69Å; E301-K305 PolarHBondContact OE1-NZ 2.84Å
302Q65.3Low64.8Low104 Ų104107.1 Ų107.149%0.48661%0.607SS.*Hα-helixtrans-67.9-37.9170.8-70.6174.2-24.500110.1I298 T299 M304 K305 I306I298-Q302 HydrophobicContact CG2-CB 3.52Å; T299-Q302 CarbonylContact O-C 3.55Å; T299-Q302 WeakPolarHBondContact O-CA 3.32Å; T299-Q302 WeakPolarHBondContact O-CB 3.41Å; T299-Q302 PolarHBondContact O-N 3.14Å; T299-Q302 VanDerWaalsContact OG1-CG 3.25Å; T299-Q302 WeakPolarHBondContact OG1-CG 3.44Å; T299-Q302 PolarHBondContact OG1-OE1 3.42Å; Q302-M304 PolarHBondContact O-N 3.26Å; Q302-K305 PolarHBondContact O-N 3.47Å; Q302-I306 HydrophobicContact CB-CD1 4.37Å; Q302-I306 VanDerWaalsContact O-CB 3.23Å; Q302-I306 WeakPolarHBondContact O-CB 3.4Å; Q302-I306 VanDerWaalsContact O-CD1 3.3Å; Q302-I306 WeakPolarHBondContact O-CD1 3.31Å; Q302-I306 WeakPolarHBondContact O-CG1 3.49Å; Q302-I306 PolarHBondContact O-N 2.93Å
303Q66.7Low67.2Low89 Ų89107.4 Ų107.442%0.41659%0.59SS.*Hα-helixtrans-63.8-40.6177-156.771.319.900111.8T299 E300 E301 I306 S307T299-Q303 PolarHBondContact O-N 3.38Å; E300-Q303 PolarHBondContact O-N 2.97Å; E301-Q303 VanDerWaalsContact C-N 3.33Å; Q303-I306 PolarHBondContact O-N 3.35Å; Q303-S307 WeakPolarHBondContact O-CB 3.33Å; Q303-S307 PolarHBondContact O-N 2.99Å
304M78Confident69.6Low135 Ų135106.9 Ų106.967%0.66558%0.575SS**Hα-helixtrans-66.5-43174.2-80.2-160-87.800112.7E300 Q302 S307 K308E300-M304 PolarHBondContact O-N 3.44Å; Q302-M304 PolarHBondContact O-N 3.26Å; M304-S307 PolarHBondContact O-N 3.46Å; M304-K308 WeakPolarHBondContact O-CB 3.42Å; M304-K308 PolarHBondContact O-N 2.98Å
305K82.5Confident72.1Confident108 Ų108106.2 Ų106.247%0.4755%0.554SS.*Hα-helixtrans-63.2-43.6174.9-74.1172.2-170.9157.50110.9E301 Q302 K308 Y309E301-K305 PolarHBondContact O-N 3.03Å; E301-K305 VanDerWaalsContact O-N 3.15Å; E301-K305 IonicContact OE1-NZ 2.69Å; E301-K305 PolarHBondContact OE1-NZ 2.84Å; Q302-K305 PolarHBondContact O-N 3.47Å; K305-K308 PolarHBondContact O-N 3.18Å; K305-Y309 HydrophobicContact CB-CD2 4.44Å; K305-Y309 HydrophobicContact CB-CE2 4.27Å; K305-Y309 WeakPolarHBondContact O-CD2 3.19Å; K305-Y309 PolarHBondContact O-N 3.47Å
306I79.5Confident74.4Confident56 Ų56105.5 Ų105.529%0.28753%0.532SS..Hα-helixtrans-61.4-47.3175.4-70.4162.8000110I298 Q302 Q303 K308 Y309 E310I298-I306 HydrophobicContact CD1-CD1 4.31Å; I298-I306 HydrophobicContact CG2-CD1 3.75Å; Q302-I306 HydrophobicContact CB-CD1 4.37Å; Q302-I306 VanDerWaalsContact O-CB 3.23Å; Q302-I306 WeakPolarHBondContact O-CB 3.4Å; Q302-I306 VanDerWaalsContact O-CD1 3.3Å; Q302-I306 WeakPolarHBondContact O-CD1 3.31Å; Q302-I306 WeakPolarHBondContact O-CG1 3.49Å; Q302-I306 PolarHBondContact O-N 2.93Å; Q303-I306 PolarHBondContact O-N 3.35Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 3.02Å; I306-Y309 CarbonylContact O-C 3.52Å; I306-Y309 PolarHBondContact O-N 3.45Å; I306-E310 HydrophobicContact CG2-CG 4.06Å; I306-E310 WeakPolarHBondContact CG2-OE1 3.5Å; I306-E310 VanDerWaalsContact O-CB 3.31Å; I306-E310 WeakPolarHBondContact O-CB 3.22Å; I306-E310 VanDerWaalsContact O-CG 3.24Å; I306-E310 WeakPolarHBondContact O-CG 3.45Å; I306-E310 PolarHBondContact O-N 2.89Å
307S84.2Confident76.4Confident64 Ų64102.5 Ų102.545%0.44851%0.508SS..Hα-helixtrans-58.8-41.7175.1-104.90000112.7Q303 M304 E310 E311Q303-S307 WeakPolarHBondContact O-CB 3.33Å; Q303-S307 PolarHBondContact O-N 2.99Å; M304-S307 PolarHBondContact O-N 3.46Å; S307-E310 PolarHBondContact O-N 2.89Å; S307-E311 WeakPolarHBondContact O-CB 3.26Å; S307-E311 PolarHBondContact O-N 2.88Å
308K88.9Confident78.4Confident145 Ų145104.1 Ų104.163%0.6350%0.502SS*.Hα-helixtrans-64.9-42.3175.8-173.2179.3-179.2179.90112.1M304 K305 I306 S312M304-K308 WeakPolarHBondContact O-CB 3.42Å; M304-K308 PolarHBondContact O-N 2.98Å; K305-K308 PolarHBondContact O-N 3.18Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 3.02Å; K308-S312 WeakPolarHBondContact O-CB 3.43Å; K308-S312 PolarHBondContact O-N 3.48Å; K308-S312 PolarHBondContact O-OG 3.12Å
309Y87.1Confident79.6Confident168 Ų168106.1 Ų106.166%0.65952%0.518SS*.Hα-helixtrans-68.3-35.9175.1-71.1-54.1000111.7K305 I306 S312 F313K305-Y309 HydrophobicContact CB-CD2 4.44Å; K305-Y309 HydrophobicContact CB-CE2 4.27Å; K305-Y309 WeakPolarHBondContact O-CD2 3.19Å; K305-Y309 PolarHBondContact O-N 3.47Å; I306-Y309 CarbonylContact O-C 3.52Å; I306-Y309 PolarHBondContact O-N 3.45Å; Y309-S312 PolarHBondContact O-N 3.38Å; Y309-F313 WeakPolarHBondContact O-CB 3.47Å; Y309-F313 PolarHBondContact O-N 3.04Å
310E84.7Confident80Confident100 Ų100103.4 Ų103.447%0.46750%0.501SS..Hα-helixtrans-67.8-39.4175.1-77.3175.9168.900111.9I306 S307 F313 K314I306-E310 HydrophobicContact CG2-CG 4.06Å; I306-E310 WeakPolarHBondContact CG2-OE1 3.5Å; I306-E310 VanDerWaalsContact O-CB 3.31Å; I306-E310 WeakPolarHBondContact O-CB 3.22Å; I306-E310 VanDerWaalsContact O-CG 3.24Å; I306-E310 WeakPolarHBondContact O-CG 3.45Å; I306-E310 PolarHBondContact O-N 2.89Å; S307-E310 PolarHBondContact O-N 2.89Å; E310-F313 PolarHBondContact O-N 3.18Å; E310-K314 WeakPolarHBondContact O-CB 3.41Å; E310-K314 WeakPolarHBondContact O-CG 3.34Å; E310-K314 PolarHBondContact O-N 3.14Å
311E88.5Confident80.7Confident136 Ų13698.6 Ų98.664%0.63650%0.496SS*.Hα-helixtrans-68.2-43.2174.3-169.5177.6-164.600111.2S307 F313 K314 T315S307-E311 WeakPolarHBondContact O-CB 3.26Å; S307-E311 PolarHBondContact O-N 2.88Å; E311-F313 VanDerWaalsContact C-N 3.3Å; E311-F313 PolarHBondContact O-N 3.44Å; E311-K314 PolarHBondContact O-N 3.05Å; E311-T315 PolarHBondContact O-N 2.83Å; E311-T315 PolarHBondContact O-OG1 2.97Å
312S86Confident81.1Confident50 Ų5094.2 Ų94.235%0.3548%0.476SS..Hα-helixtrans-62.8-38172.4-55.50000111.4K308 Y309 T315 I316K308-S312 WeakPolarHBondContact O-CB 3.43Å; K308-S312 PolarHBondContact O-N 3.48Å; K308-S312 PolarHBondContact O-OG 3.12Å; Y309-S312 PolarHBondContact O-N 3.38Å; S312-T315 VanDerWaalsContact C-OG1 3.31Å; S312-T315 VanDerWaalsContact CA-OG1 3.32Å; S312-T315 WeakPolarHBondContact CA-OG1 3.49Å; S312-T315 PolarHBondContact O-OG1 2.83Å; S312-I316 WeakPolarHBondContact O-CB 3.47Å; S312-I316 WeakPolarHBondContact O-CD1 3.47Å; S312-I316 WeakPolarHBondContact O-CG1 3.32Å; S312-I316 PolarHBondContact O-N 3.43Å
313F82.3Confident81.4Confident70 Ų7093.7 Ų93.731%0.30748%0.484SS..Hα-helixtrans-72.9-37.3177.8-174.5-105.1000111.8Y309 E310 E311 I316 K317 L325 I328Y309-F313 WeakPolarHBondContact O-CB 3.47Å; Y309-F313 PolarHBondContact O-N 3.04Å; E310-F313 PolarHBondContact O-N 3.18Å; E311-F313 VanDerWaalsContact C-N 3.3Å; E311-F313 PolarHBondContact O-N 3.44Å; F313-I316 PolarHBondContact O-N 2.88Å; F313-K317 HydrophobicContact CE1-CD 4.26Å; F313-K317 WeakPolarHBondContact O-CB 3.28Å; F313-K317 PolarHBondContact O-N 3.49Å; F313-L325 HydrophobicContact CD2-CD1 4.26Å; F313-L325 HydrophobicContact CE2-CD1 3.53Å; F313-L325 HydrophobicContact CZ-CD1 4.33Å; F313-I328 HydrophobicContact CE2-CD1 3.76Å; F313-I328 HydrophobicContact CZ-CD1 4.03Å
314K82.9Confident82Confident137 Ų13793 Ų9360%0.59648%0.484SS*.Hα-helixtrans-61.3-46.5171.8-84.9179.2179.61770111.3E310 E311 K317 E318E310-K314 WeakPolarHBondContact O-CB 3.41Å; E310-K314 WeakPolarHBondContact O-CG 3.34Å; E310-K314 PolarHBondContact O-N 3.14Å; E311-K314 PolarHBondContact O-N 3.05Å; K314-K317 PolarHBondContact O-N 2.83Å; K314-E318 WeakPolarHBondContact O-CB 3.33Å; K314-E318 VanDerWaalsContact O-CG 3.3Å; K314-E318 WeakPolarHBondContact O-CG 3.47Å; K314-E318 PolarHBondContact O-N 2.76Å
315T86Confident82.1Confident71 Ų7191.2 Ų91.244%0.43648%0.476SS..Hα-helixtrans-63-43.7176.346.20000111.6E311 S312 K317 E318 V319E311-T315 PolarHBondContact O-N 2.83Å; E311-T315 PolarHBondContact O-OG1 2.97Å; S312-T315 VanDerWaalsContact C-OG1 3.31Å; S312-T315 VanDerWaalsContact CA-OG1 3.32Å; S312-T315 WeakPolarHBondContact CA-OG1 3.49Å; S312-T315 PolarHBondContact O-OG1 2.83Å; T315-K317 VanDerWaalsContact C-N 3.35Å; T315-K317 PolarHBondContact O-N 3.19Å; T315-E318 PolarHBondContact O-N 3.17Å; T315-V319 WeakPolarHBondContact O-CB 3.32Å; T315-V319 WeakPolarHBondContact O-CG2 3.37Å; T315-V319 PolarHBondContact O-N 2.94Å
316I82Confident82Confident61 Ų6191.2 Ų91.231%0.31348%0.481SS..Hα-helixtrans-61.9-42.9173.7-67.6164.6000111S312 F313 V319 T320 I328S312-I316 WeakPolarHBondContact O-CB 3.47Å; S312-I316 WeakPolarHBondContact O-CD1 3.47Å; S312-I316 WeakPolarHBondContact O-CG1 3.32Å; S312-I316 PolarHBondContact O-N 3.43Å; F313-I316 PolarHBondContact O-N 2.88Å; I316-V319 PolarHBondContact O-N 2.94Å; I316-T320 HydrophobicContact CG2-CG2 4.06Å; I316-T320 VanDerWaalsContact O-CB 3.28Å; I316-T320 WeakPolarHBondContact O-CB 3.36Å; I316-T320 WeakPolarHBondContact O-CG2 3.4Å; I316-T320 PolarHBondContact O-N 3.22Å; I316-T320 PolarHBondContact O-OG1 3.29Å; I316-I328 HydrophobicContact CG2-CD1 4.31Å; I316-I328 HydrophobicContact CG2-CG2 3.48Å; I316-I328 VanDerWaalsContact CG2-CG2 3.48Å
317K82.4Confident82.1Confident78 Ų7892.9 Ų92.934%0.33949%0.488SS..Hα-helixtrans-65.2-39.7179.1177.4163.5-178.2166.40112.4F313 K314 T315 G321 L322F313-K317 HydrophobicContact CE1-CD 4.26Å; F313-K317 WeakPolarHBondContact O-CB 3.28Å; F313-K317 PolarHBondContact O-N 3.49Å; K314-K317 PolarHBondContact O-N 2.83Å; T315-K317 VanDerWaalsContact C-N 3.35Å; T315-K317 PolarHBondContact O-N 3.19Å; K317-G321 WeakPolarHBondContact O-CA 3.4Å; K317-G321 PolarHBondContact O-N 3.08Å; K317-L322 WeakPolarHBondContact CG-O 3.33Å
318E83.3Confident82Confident154 Ų15490.3 Ų90.372%0.7247%0.469SS*.Hα-helixtrans-66.5-42.8174.1-76.2173.9-17400111.5K314 T315K314-E318 WeakPolarHBondContact O-CB 3.33Å; K314-E318 VanDerWaalsContact O-CG 3.3Å; K314-E318 WeakPolarHBondContact O-CG 3.47Å; K314-E318 PolarHBondContact O-N 2.76Å; T315-E318 PolarHBondContact O-N 3.17Å
319V82Confident81.7Confident128 Ų12886.6 Ų86.678%0.77646%0.458SS*.Hα-helixtrans-73.4-37.2-179.6173.60000112.2T315 I316T315-V319 WeakPolarHBondContact O-CB 3.32Å; T315-V319 WeakPolarHBondContact O-CG2 3.37Å; T315-V319 PolarHBondContact O-N 2.94Å; I316-V319 PolarHBondContact O-N 2.94Å
320T75.1Confident81.5Confident28 Ų2882.9 Ų82.917%0.17245%0.45CS..Hα-helixtrans-86.4-24-178.956.70000113.2I316 L322 I328I316-T320 HydrophobicContact CG2-CG2 4.06Å; I316-T320 VanDerWaalsContact O-CB 3.28Å; I316-T320 WeakPolarHBondContact O-CB 3.36Å; I316-T320 WeakPolarHBondContact O-CG2 3.4Å; I316-T320 PolarHBondContact O-N 3.22Å; I316-T320 PolarHBondContact O-OG1 3.29Å; T320-L322 PolarHBondContact O-N 2.97Å; T320-I328 HydrophobicContact CG2-CG2 4.5Å
321G77.6Confident81.4Confident65 Ų6584.6 Ų84.667%0.6745%0.452SS*.  trans69.312.6-177.600000114.3K317K317-G321 WeakPolarHBondContact O-CA 3.4Å; K317-G321 PolarHBondContact O-N 3.08Å
322L78.4Confident81.2Confident31 Ų3183.9 Ų83.916%0.16245%0.447CS..  trans-109.2134.6-174.2-62.1170.2000110.5K317 T320 Q327 I328 R331K317-L322 WeakPolarHBondContact CG-O 3.33Å; T320-L322 PolarHBondContact O-N 2.97Å; L322-Q327 HydrophobicContact CB-CB 4.45Å; L322-Q327 HydrophobicContact CD1-CB 4.12Å; L322-I328 HydrophobicContact CB-CG1 4.02Å; L322-R331 HydrophobicContact CD1-CB 4.43Å; L322-R331 HydrophobicContact CD1-CG 3.73Å
323S72.3Confident81.1Confident94 Ų9487.5 Ų87.566%0.65746%0.458SS*.SBendtrans-87-15.2-177.6-72.90000114.5
324D79.2Confident81.2Confident75 Ų7588.8 Ų88.840%0.40147%0.468SS..  trans-109.3129.5-169.6-167.89.4000110.8D326 Q327 I328D324-D326 VanDerWaalsContact C-N 3.34Å; D324-D326 PolarHBondContact O-N 3.14Å; D324-Q327 HydrophobicContact CB-CB 4.2Å; D324-Q327 HydrophobicContact CB-CG 3.82Å; D324-Q327 PolarHBondContact O-N 2.84Å; D324-Q327 PolarHBondContact OD2-NE2 2.9Å; D324-Q327 VanDerWaalsContact OD2-NE2 3.12Å; D324-I328 PolarHBondContact O-N 3.08Å
325L78.3Confident81.5Confident96 Ų9686.7 Ų86.750%0.50346%0.461SS..Hα-helixtrans-62.8-41.5-173.6179.268.3000111.2F313 Q327 I328 V329F313-L325 HydrophobicContact CD2-CD1 4.26Å; F313-L325 HydrophobicContact CE2-CD1 3.53Å; F313-L325 HydrophobicContact CZ-CD1 4.33Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.88Å; L325-I328 WeakPolarHBondContact O-CB 3.39Å; L325-I328 PolarHBondContact O-N 2.88Å; L325-I328 VanDerWaalsContact O-N 3.14Å; L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 2.96Å
326D82.1Confident81.6Confident109 Ų10984.8 Ų84.858%0.58346%0.455SS*.Hα-helixtrans-65.1-32.5-179.5-70.5-13.6000111.5D324 N330D324-D326 VanDerWaalsContact C-N 3.34Å; D324-D326 PolarHBondContact O-N 3.14Å; D326-N330 WeakPolarHBondContact O-CB 3.21Å; D326-N330 PolarHBondContact O-N 3.07Å; D326-N330 PolarHBondContact O-ND2 3.34Å
327Q81.5Confident81.9Confident91 Ų9188.1 Ų88.143%0.42547%0.47SS..Hα-helixtrans-71.6-35.2175.9-62178.628.700112L322 D324 L325 R331L322-Q327 HydrophobicContact CB-CB 4.45Å; L322-Q327 HydrophobicContact CD1-CB 4.12Å; D324-Q327 HydrophobicContact CB-CB 4.2Å; D324-Q327 HydrophobicContact CB-CG 3.82Å; D324-Q327 PolarHBondContact O-N 2.84Å; D324-Q327 PolarHBondContact OD2-NE2 2.9Å; D324-Q327 VanDerWaalsContact OD2-NE2 3.12Å; L325-Q327 VanDerWaalsContact C-N 3.25Å; L325-Q327 PolarHBondContact O-N 2.88Å; Q327-R331 WeakPolarHBondContact O-CB 3.25Å; Q327-R331 PolarHBondContact O-N 3.24Å
328I81.1Confident82.1Confident10 Ų1088.6 Ų88.65%0.05148%0.479CS..Hα-helixtrans-65-46174.6-67.2169.6000110.1F313 I316 T320 L322 D324 L325 R331 F332F313-I328 HydrophobicContact CE2-CD1 3.76Å; F313-I328 HydrophobicContact CZ-CD1 4.03Å; I316-I328 HydrophobicContact CG2-CD1 4.31Å; I316-I328 HydrophobicContact CG2-CG2 3.48Å; I316-I328 VanDerWaalsContact CG2-CG2 3.48Å; T320-I328 HydrophobicContact CG2-CG2 4.5Å; L322-I328 HydrophobicContact CB-CG1 4.02Å; D324-I328 PolarHBondContact O-N 3.08Å; L325-I328 WeakPolarHBondContact O-CB 3.39Å; L325-I328 PolarHBondContact O-N 2.88Å; L325-I328 VanDerWaalsContact O-N 3.14Å; I328-R331 PolarHBondContact O-N 3.34Å; I328-F332 HydrophobicContact CG2-CD2 4.46Å; I328-F332 PolarHBondContact O-N 2.62Å
329V83.1Confident82.5Confident67 Ų6786.1 Ų86.141%0.40647%0.47SS..Hα-helixtrans-62.4-49.8179.1175.70000110.8L325 R331 F332 E333L325-V329 WeakPolarHBondContact O-CG2 3.3Å; L325-V329 PolarHBondContact O-N 2.96Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 2.98Å; V329-F332 PolarHBondContact O-N 3.46Å; V329-E333 PolarHBondContact O-N 2.71Å
330N83.7Confident83Confident90 Ų9088.7 Ų88.748%0.48147%0.466SS..Hα-helixtrans-58.9-38.9177.2-78-27.4000112.4D326 N334D326-N330 WeakPolarHBondContact O-CB 3.21Å; D326-N330 PolarHBondContact O-N 3.07Å; D326-N330 PolarHBondContact O-ND2 3.34Å; N330-N334 WeakPolarHBondContact O-CB 3.22Å; N330-N334 PolarHBondContact O-N 3.01Å; N330-N334 PolarHBondContact O-ND2 3.3Å; N330-N334 VanDerWaalsContact O-ND2 3.14Å
331R81Confident83.8Confident136 Ų13692.2 Ų92.251%0.51348%0.484SS..Hα-helixtrans-65.1-40.7174-89.5-115.5-164.2-1707.3112.4L322 Q327 I328 V329 Q335L322-R331 HydrophobicContact CD1-CB 4.43Å; L322-R331 HydrophobicContact CD1-CG 3.73Å; Q327-R331 WeakPolarHBondContact O-CB 3.25Å; Q327-R331 PolarHBondContact O-N 3.24Å; I328-R331 PolarHBondContact O-N 3.34Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 2.98Å; R331-Q335 VanDerWaalsContact O-CB 3.24Å; R331-Q335 WeakPolarHBondContact O-CB 3.41Å; R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 3.34Å
332F84Confident84.5Confident121 Ų12194.2 Ų94.253%0.53148%0.479SS..Hα-helixtrans-66.2-42.4178.9-115.1-88.5000111.9I328 V329 Q335 G336I328-F332 HydrophobicContact CG2-CD2 4.46Å; I328-F332 PolarHBondContact O-N 2.62Å; V329-F332 PolarHBondContact O-N 3.46Å; F332-Q335 PolarHBondContact O-N 3.02Å; F332-G336 PolarHBondContact O-N 3.25Å
333E84.9Confident85.3Confident125 Ų12596.7 Ų96.758%0.58449%0.492SS*.Hα-helixtrans-63.2-47.5175.8-69.6-173.7161.600111V329 Q335 G336 E337V329-E333 PolarHBondContact O-N 2.71Å; E333-Q335 PolarHBondContact O-N 3.02Å; E333-G336 PolarHBondContact O-N 2.92Å; E333-G336 VanDerWaalsContact O-N 3.11Å; E333-E337 PolarHBondContact O-N 3.28Å; E333-E337 VanDerWaalsContact O-N 3.12Å
334N85Confident86.4Confident97 Ų9797.1 Ų97.152%0.51948%0.484SS..Hα-helixtrans-63.9-37.2176.2-70-23.2000112.7N330 G336 E337 T338N330-N334 WeakPolarHBondContact O-CB 3.22Å; N330-N334 PolarHBondContact O-N 3.01Å; N330-N334 PolarHBondContact O-ND2 3.3Å; N330-N334 VanDerWaalsContact O-ND2 3.14Å; N334-G336 VanDerWaalsContact C-N 3.33Å; N334-E337 PolarHBondContact O-N 3.2Å; N334-T338 WeakPolarHBondContact O-CB 3.27Å; N334-T338 PolarHBondContact O-N 3.48Å; N334-T338 PolarHBondContact O-OG1 2.79Å
335Q87.7Confident87.1Confident94 Ų9499.2 Ų99.244%0.43949%0.494SS..Hα-helixtrans-66.5-34.6173.9-80.6177.4-4.600111.9R331 F332 E333 T338 L339R331-Q335 VanDerWaalsContact O-CB 3.24Å; R331-Q335 WeakPolarHBondContact O-CB 3.41Å; R331-Q335 WeakPolarHBondContact O-CG 3.45Å; R331-Q335 PolarHBondContact O-N 3.34Å; F332-Q335 PolarHBondContact O-N 3.02Å; E333-Q335 PolarHBondContact O-N 3.02Å; Q335-T338 PolarHBondContact O-N 2.95Å; Q335-L339 VanDerWaalsContact O-CB 3.28Å; Q335-L339 WeakPolarHBondContact O-CB 3.28Å; Q335-L339 PolarHBondContact O-N 2.98Å
336G88.3Confident87.9Confident31 Ų31100.1 Ų100.132%0.3249%0.494SS..Hα-helixtrans-62.8-46.1174.500000112.4F332 E333 N334 L339 R340F332-G336 PolarHBondContact O-N 3.25Å; E333-G336 PolarHBondContact O-N 2.92Å; E333-G336 VanDerWaalsContact O-N 3.11Å; N334-G336 VanDerWaalsContact C-N 3.33Å; G336-L339 PolarHBondContact O-N 2.84Å; G336-R340 WeakPolarHBondContact O-CG 3.28Å; G336-R340 PolarHBondContact O-N 3.37Å
337E88.2Confident88.6Confident131 Ų131100.7 Ų100.761%0.61249%0.493SS*.Hα-helixtrans-64.6-42.4173.5-67.5-171.7168.300111.8E333 N334 L339 R340 N341E333-E337 PolarHBondContact O-N 3.28Å; E333-E337 VanDerWaalsContact O-N 3.12Å; N334-E337 PolarHBondContact O-N 3.2Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.2Å; E337-R340 PolarHBondContact O-N 2.71Å; E337-N341 WeakPolarHBondContact O-CB 3.27Å; E337-N341 PolarHBondContact O-N 3.25Å
338T87.6Confident89.2Confident87 Ų87102.2 Ų102.253%0.53450%0.499SS..Hα-helixtrans-60.8-42.2176.5-54.40000111.5N334 Q335 N341 L342N334-T338 WeakPolarHBondContact O-CB 3.27Å; N334-T338 PolarHBondContact O-N 3.48Å; N334-T338 PolarHBondContact O-OG1 2.79Å; Q335-T338 PolarHBondContact O-N 2.95Å; T338-N341 PolarHBondContact O-N 3.39Å; T338-L342 WeakPolarHBondContact O-CB 3.48Å; T338-L342 PolarHBondContact O-N 3.29Å
339L92.3Very high89.8Confident103 Ų103103.9 Ų103.954%0.53951%0.513SS..Hα-helixtrans-66-42177.7-178.469000111.9Q335 G336 E337 L342 N343Q335-L339 VanDerWaalsContact O-CB 3.28Å; Q335-L339 WeakPolarHBondContact O-CB 3.28Å; Q335-L339 PolarHBondContact O-N 2.98Å; G336-L339 PolarHBondContact O-N 2.84Å; E337-L339 VanDerWaalsContact C-N 3.33Å; E337-L339 PolarHBondContact O-N 3.2Å; L339-L342 PolarHBondContact O-N 3.48Å; L339-N343 WeakPolarHBondContact O-CB 3.46Å; L339-N343 PolarHBondContact O-N 3.48Å; L339-N343 PolarHBondContact O-ND2 2.95Å
340R91.7Very high90.4Very high181 Ų181105.3 Ų105.368%0.68352%0.516SS*.Hα-helixtrans-61-48.7174.8-75.2-178.5-171156.54.3111G336 E337 L342 N343 E344G336-R340 WeakPolarHBondContact O-CG 3.28Å; G336-R340 PolarHBondContact O-N 3.37Å; E337-R340 PolarHBondContact O-N 2.71Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 3.4Å; R340-N343 PolarHBondContact O-N 2.98Å; R340-E344 PolarHBondContact O-N 3.45Å
341N91.3Very high90.9Very high102 Ų102105.7 Ų105.755%0.54552%0.515SS..Hα-helixtrans-60.5-40.3177.2-172.226.1000112E337 T338 N343 E344 L345E337-N341 WeakPolarHBondContact O-CB 3.27Å; E337-N341 PolarHBondContact O-N 3.25Å; T338-N341 PolarHBondContact O-N 3.39Å; N341-N343 PolarHBondContact O-N 3.08Å; N341-E344 PolarHBondContact O-N 2.83Å; N341-L345 WeakPolarHBondContact O-CB 3.12Å; N341-L345 PolarHBondContact O-N 3.39Å
342L93.6Very high91.5Very high108 Ų108105.3 Ų105.357%0.56552%0.519SS*.Hα-helixtrans-67-36.3177.9-156.1118.7000112.4T338 L339 R340 K346T338-L342 WeakPolarHBondContact O-CB 3.48Å; T338-L342 PolarHBondContact O-N 3.29Å; L339-L342 PolarHBondContact O-N 3.48Å; R340-L342 VanDerWaalsContact C-N 3.31Å; R340-L342 PolarHBondContact O-N 3.4Å; L342-K346 WeakPolarHBondContact O-CB 3.33Å; L342-K346 PolarHBondContact O-N 2.91Å
343N94.3Very high92Very high83 Ų83102.9 Ų102.944%0.44452%0.516SS..Hα-helixtrans-68.7-42.3173.6-78.8-35000112.1L339 R340 N341 L345 K346 E347L339-N343 WeakPolarHBondContact O-CB 3.46Å; L339-N343 PolarHBondContact O-N 3.48Å; L339-N343 PolarHBondContact O-ND2 2.95Å; R340-N343 PolarHBondContact O-N 2.98Å; N341-N343 PolarHBondContact O-N 3.08Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.07Å; N343-K346 WeakPolarHBondContact O-CB 3.39Å; N343-K346 PolarHBondContact O-N 3.38Å; N343-E347 PolarHBondContact O-N 2.84Å
344E95Very high92.5Very high103 Ų103102.4 Ų102.448%0.48151%0.514SS..Hα-helixtrans-62-40.3173.7-74.2-176.6-161.900111.9R340 N341 K346 E347 K348R340-E344 PolarHBondContact O-N 3.45Å; N341-E344 PolarHBondContact O-N 2.83Å; E344-K346 VanDerWaalsContact C-N 3.34Å; E344-E347 PolarHBondContact O-N 3.35Å; E344-K348 WeakPolarHBondContact O-CB 3.06Å; E344-K348 WeakPolarHBondContact O-CG 3.22Å; E344-K348 PolarHBondContact O-N 3.37Å
345L94Very high93Very high118 Ų118103.9 Ų103.962%0.61852%0.515SS*.Hα-helixtrans-66-39.3176.2-164.2113.2000111.3N341 N343 A349N341-L345 WeakPolarHBondContact O-CB 3.12Å; N341-L345 PolarHBondContact O-N 3.39Å; N343-L345 VanDerWaalsContact C-N 3.32Å; N343-L345 PolarHBondContact O-N 3.07Å; L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.39Å; L345-A349 PolarHBondContact O-N 3.5Å
346K95.6Very high93.3Very high116 Ų116104.6 Ų104.650%0.50452%0.522SS..Hα-helixtrans-61.8-48.2173.8-178.9-171.5168.2-169.60111.2L342 N343 E344 A349 E350L342-K346 WeakPolarHBondContact O-CB 3.33Å; L342-K346 PolarHBondContact O-N 2.91Å; N343-K346 WeakPolarHBondContact O-CB 3.39Å; N343-K346 PolarHBondContact O-N 3.38Å; E344-K346 VanDerWaalsContact C-N 3.34Å; K346-A349 PolarHBondContact O-N 2.8Å; K346-E350 WeakPolarHBondContact CE-OE1 3.4Å; K346-E350 IonicContact NZ-OE1 3.84Å; K346-E350 WeakPolarHBondContact O-CG 3.27Å; K346-E350 PolarHBondContact O-N 3.3Å
347E95.9Very high93.6Very high121 Ų121110.6 Ų110.657%0.56554%0.535SS*.Hα-helixtrans-62.5-45.2179.6-171.6173.4-168.800111.4N343 E344 A349 E350 E351N343-E347 PolarHBondContact O-N 2.84Å; E344-E347 PolarHBondContact O-N 3.35Å; E347-A349 VanDerWaalsContact C-N 3.34Å; E347-A349 PolarHBondContact O-N 3.02Å; E347-E350 PolarHBondContact O-N 3.5Å; E347-E351 PolarHBondContact O-N 3.35Å
348K95.2Very high94Very high123 Ų123111.2 Ų111.254%0.53554%0.535SS..Hα-helixtrans-60.6-40.5173.9-73.8171-177.2161.90112.4E344 E351 Q352E344-K348 WeakPolarHBondContact O-CB 3.06Å; E344-K348 WeakPolarHBondContact O-CG 3.22Å; E344-K348 PolarHBondContact O-N 3.37Å; K348-E351 PolarHBondContact O-N 3.17Å; K348-Q352 WeakPolarHBondContact O-CB 2.97Å; K348-Q352 WeakPolarHBondContact O-CG 3.26Å; K348-Q352 PolarHBondContact O-N 3.43Å
349A92.9Very high94.3Very high44 Ų44112.1 Ų112.136%0.36453%0.534SS..Hα-helixtrans-67.2-38.5176.600000112L345 K346 E347 Q352 C353L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.39Å; L345-A349 PolarHBondContact O-N 3.5Å; K346-A349 PolarHBondContact O-N 2.8Å; E347-A349 VanDerWaalsContact C-N 3.34Å; E347-A349 PolarHBondContact O-N 3.02Å; A349-Q352 PolarHBondContact O-N 3.41Å; A349-C353 WeakPolarHBondContact O-CB 3.39Å; A349-C353 PolarHBondContact O-N 2.82Å; A349-C353 PolarHBondContact O-SG 3.39Å
350E95.6Very high94.5Very high98 Ų98113.6 Ų113.646%0.45853%0.532SS..Hα-helixtrans-65.4-43.3174.6-75.9179.5-179.400111.6K346 E347 C353 Q354K346-E350 WeakPolarHBondContact CE-OE1 3.4Å; K346-E350 IonicContact NZ-OE1 3.84Å; K346-E350 WeakPolarHBondContact O-CG 3.27Å; K346-E350 PolarHBondContact O-N 3.3Å; E347-E350 PolarHBondContact O-N 3.5Å; E350-C353 PolarHBondContact O-N 2.91Å; E350-Q354 WeakPolarHBondContact O-CG 3.41Å; E350-Q354 PolarHBondContact O-N 2.88Å
351E95.3Very high94.6Very high97 Ų97108.3 Ų108.345%0.45352%0.517SS..Hα-helixtrans-60.6-44.8173.7-76.3-168172.300112.4E347 K348 Q354 K355E347-E351 PolarHBondContact O-N 3.35Å; K348-E351 PolarHBondContact O-N 3.17Å; E351-Q354 PolarHBondContact O-N 3.47Å; E351-K355 WeakPolarHBondContact O-CG 3.07Å; E351-K355 PolarHBondContact O-N 3.17Å
352Q94Very high94.8Very high129 Ų129108.9 Ų108.960%0.60352%0.517SS*.Hα-helixtrans-62.6-43176.3-74.9179.3-2.300111.3K348 A349 Q354 K355 L356K348-Q352 WeakPolarHBondContact O-CB 2.97Å; K348-Q352 WeakPolarHBondContact O-CG 3.26Å; K348-Q352 PolarHBondContact O-N 3.43Å; A349-Q352 PolarHBondContact O-N 3.41Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 3.41Å; Q352-K355 PolarHBondContact O-N 3.2Å; Q352-L356 WeakPolarHBondContact O-CB 3.4Å; Q352-L356 WeakPolarHBondContact O-CG 3.3Å; Q352-L356 PolarHBondContact O-N 2.81Å
353C93.1Very high94.8Very high69 Ų69109.1 Ų109.147%0.46652%0.518SS..Hα-helixtrans-60.4-40.6174.7-75.40000112.2A349 E350 R357A349-C353 WeakPolarHBondContact O-CB 3.39Å; A349-C353 PolarHBondContact O-N 2.82Å; A349-C353 PolarHBondContact O-SG 3.39Å; E350-C353 PolarHBondContact O-N 2.91Å; C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 VanDerWaalsContact O-CG 3.22Å; C353-R357 WeakPolarHBondContact O-CG 3.44Å; C353-R357 PolarHBondContact O-N 3.09Å
354Q95.5Very high94.8Very high116 Ų116109.9 Ų109.954%0.54252%0.519SS..Hα-helixtrans-67.9-41.3176.9-71.9-178.828.400112.3E350 E351 Q352 R357 K358E350-Q354 WeakPolarHBondContact O-CG 3.41Å; E350-Q354 PolarHBondContact O-N 2.88Å; E351-Q354 PolarHBondContact O-N 3.47Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 3.41Å; Q354-R357 PolarHBondContact O-N 3.29Å; Q354-K358 WeakPolarHBondContact O-CG 3.38Å; Q354-K358 PolarHBondContact O-N 3.2Å
355K94.9Very high94.6Very high127 Ų127110.8 Ų110.855%0.55252%0.523SS*.Hα-helixtrans-61.4-46.9175.4-73.9173.5-176.4168.10111.3E351 Q352 R357 K358 Q359E351-K355 WeakPolarHBondContact O-CG 3.07Å; E351-K355 PolarHBondContact O-N 3.17Å; Q352-K355 PolarHBondContact O-N 3.2Å; K355-R357 PolarHBondContact O-N 3Å; K355-K358 PolarHBondContact O-N 3.3Å; K355-Q359 WeakPolarHBondContact O-CG 3.43Å; K355-Q359 PolarHBondContact O-N 2.89Å
356L94.3Very high94.5Very high110 Ų110110.2 Ų110.258%0.57652%0.517SS*.Hα-helixtrans-64.3-37.7177.5-71.6171.6000112.4Q352 Q359 R360Q352-L356 WeakPolarHBondContact O-CB 3.4Å; Q352-L356 WeakPolarHBondContact O-CG 3.3Å; Q352-L356 PolarHBondContact O-N 2.81Å; L356-Q359 PolarHBondContact O-N 3.1Å; L356-R360 WeakPolarHBondContact O-CB 3.23Å; L356-R360 PolarHBondContact O-N 2.98Å
357R95.3Very high94.2Very high157 Ų157111.1 Ų111.159%0.59252%0.522SS*.Hα-helixtrans-63.2-44.6174-76.9171.5-175.9-102.92.4111.9C353 Q354 K355 R360 D361C353-R357 WeakPolarHBondContact O-CB 3.44Å; C353-R357 VanDerWaalsContact O-CG 3.22Å; C353-R357 WeakPolarHBondContact O-CG 3.44Å; C353-R357 PolarHBondContact O-N 3.09Å; Q354-R357 PolarHBondContact O-N 3.29Å; K355-R357 PolarHBondContact O-N 3Å; R357-R360 PolarHBondContact O-N 2.83Å; R357-D361 WeakPolarHBondContact O-CB 3.39Å; R357-D361 PolarHBondContact O-N 2.72Å
358K95.6Very high93.8Very high143 Ų143109.8 Ų109.862%0.62252%0.515SS*.Hα-helixtrans-62.2-43.5175.7-73.4179.7179.5179.40112Q354 K355 D361 Q362Q354-K358 WeakPolarHBondContact O-CG 3.38Å; Q354-K358 PolarHBondContact O-N 3.2Å; K355-K358 PolarHBondContact O-N 3.3Å; K358-D361 PolarHBondContact O-N 3.43Å; K358-Q362 WeakPolarHBondContact O-CB 3.5Å; K358-Q362 VanDerWaalsContact O-CG 3.31Å; K358-Q362 WeakPolarHBondContact O-CG 3.37Å; K358-Q362 PolarHBondContact O-N 3.32Å
359Q94.5Very high93.4Very high106 Ų106110.5 Ų110.550%0.49552%0.521SS..Hα-helixtrans-64.2-41.9176.4-74.6177.9-25.500112.2K355 L356 D361 Q362 L363K355-Q359 WeakPolarHBondContact O-CG 3.43Å; K355-Q359 PolarHBondContact O-N 2.89Å; L356-Q359 PolarHBondContact O-N 3.1Å; Q359-D361 VanDerWaalsContact C-N 3.34Å; Q359-D361 PolarHBondContact O-N 3.24Å; Q359-Q362 PolarHBondContact O-N 3.28Å; Q359-L363 WeakPolarHBondContact O-CB 3.41Å; Q359-L363 WeakPolarHBondContact O-CG 3.43Å; Q359-L363 PolarHBondContact O-N 3.29Å
360R96.1Very high92.9Very high134 Ų134114.2 Ų114.251%0.50653%0.534SS..Hα-helixtrans-58.2-47.4173.2-179.2-156.767.2169.70.2111L356 R357 Q362 L363 Q364L356-R360 WeakPolarHBondContact O-CB 3.23Å; L356-R360 PolarHBondContact O-N 2.98Å; R357-R360 PolarHBondContact O-N 2.83Å; R360-Q362 VanDerWaalsContact C-N 3.35Å; R360-L363 PolarHBondContact O-N 3.21Å; R360-Q364 VanDerWaalsContact O-CB 3.27Å; R360-Q364 WeakPolarHBondContact O-CB 3.47Å; R360-Q364 PolarHBondContact O-N 2.87Å
361D95.2Very high92.3Very high70 Ų70114.6 Ų114.637%0.37453%0.534SS..Hα-helixtrans-67.2-37.4-177.2-65.1-11.3000111.5R357 K358 Q359 Q364 Q365R357-D361 WeakPolarHBondContact O-CB 3.39Å; R357-D361 PolarHBondContact O-N 2.72Å; K358-D361 PolarHBondContact O-N 3.43Å; Q359-D361 VanDerWaalsContact C-N 3.34Å; Q359-D361 PolarHBondContact O-N 3.24Å; D361-Q364 PolarHBondContact O-N 2.83Å; D361-Q365 WeakPolarHBondContact O-CG 3.35Å; D361-Q365 PolarHBondContact O-N 2.95Å
362Q95.5Very high91.5Very high115 Ų115117 Ų11754%0.53754%0.539SS..Hα-helixtrans-63.7-50.7172.8-75173.1-20.400112.1K358 Q359 R360 Q364 Q365 E366K358-Q362 WeakPolarHBondContact O-CB 3.5Å; K358-Q362 VanDerWaalsContact O-CG 3.31Å; K358-Q362 WeakPolarHBondContact O-CG 3.37Å; K358-Q362 PolarHBondContact O-N 3.32Å; Q359-Q362 PolarHBondContact O-N 3.28Å; R360-Q362 VanDerWaalsContact C-N 3.35Å; Q362-Q364 PolarHBondContact O-N 2.92Å; Q362-Q365 PolarHBondContact O-N 3.48Å; Q362-Q365 VanDerWaalsContact O-N 3.16Å; Q362-E366 WeakPolarHBondContact O-CG 3.43Å; Q362-E366 PolarHBondContact O-N 2.9Å
363L93.1Very high90.7Very high112 Ų112113.5 Ų113.559%0.58653%0.529SS*.Hα-helixtrans-62-33.7177.8-75.1169.5000112.2Q359 R360 F367Q359-L363 WeakPolarHBondContact O-CB 3.41Å; Q359-L363 WeakPolarHBondContact O-CG 3.43Å; Q359-L363 PolarHBondContact O-N 3.29Å; R360-L363 PolarHBondContact O-N 3.21Å; L363-F367 VanDerWaalsContact O-CB 3.32Å; L363-F367 WeakPolarHBondContact O-CB 3.49Å; L363-F367 PolarHBondContact O-N 3.41Å
364Q93.4Very high89.8Confident100 Ų100111.4 Ų111.447%0.46752%0.52SS..Hα-helixtrans-70.8-37.4176.9-171.5157.6-12.100112R360 D361 Q362 F367 E368R360-Q364 VanDerWaalsContact O-CB 3.27Å; R360-Q364 WeakPolarHBondContact O-CB 3.47Å; R360-Q364 PolarHBondContact O-N 2.87Å; D361-Q364 PolarHBondContact O-N 2.83Å; Q362-Q364 PolarHBondContact O-N 2.92Å; Q364-F367 PolarHBondContact O-N 3.13Å; Q364-E368 WeakPolarHBondContact O-CG 3.44Å; Q364-E368 PolarHBondContact O-N 3.11Å
365Q92.3Very high88.9Confident121 Ų121110.9 Ų110.957%0.56552%0.518SS*.Hα-helixtrans-64.6-46.7171.6-74.2174.1000111.7D361 Q362 F367 E368 E369D361-Q365 WeakPolarHBondContact O-CG 3.35Å; D361-Q365 PolarHBondContact O-N 2.95Å; Q362-Q365 PolarHBondContact O-N 3.48Å; Q362-Q365 VanDerWaalsContact O-N 3.16Å; Q365-F367 VanDerWaalsContact C-N 3.29Å; Q365-F367 PolarHBondContact O-N 2.86Å; Q365-E368 PolarHBondContact O-N 2.97Å; Q365-E369 WeakPolarHBondContact O-CG 3.41Å; Q365-E369 PolarHBondContact O-N 3.35Å
366E91Very high88.1Confident107 Ų107109 Ų10950%0.552%0.517SS..Hα-helixtrans-59.1-41.1175.8-71.1177-176.400111.4Q362 E369 L370Q362-E366 WeakPolarHBondContact O-CG 3.43Å; Q362-E366 PolarHBondContact O-N 2.9Å; E366-E369 PolarHBondContact O-N 3.42Å; E366-L370 WeakPolarHBondContact O-CB 3.4Å; E366-L370 WeakPolarHBondContact O-CD1 3.35Å; E366-L370 PolarHBondContact O-N 3.22Å
367F88.9Confident87.4Confident135 Ų135110.2 Ų110.259%0.59252%0.519SS*.Hα-helixtrans-64.6-41.4176179.7-99.6000112.7L363 Q364 Q365 K371L363-F367 VanDerWaalsContact O-CB 3.32Å; L363-F367 WeakPolarHBondContact O-CB 3.49Å; L363-F367 PolarHBondContact O-N 3.41Å; Q364-F367 PolarHBondContact O-N 3.13Å; Q365-F367 VanDerWaalsContact C-N 3.29Å; Q365-F367 PolarHBondContact O-N 2.86Å; F367-K371 HydrophobicContact CE1-CD 4.17Å; F367-K371 WeakPolarHBondContact O-CB 3.44Å; F367-K371 PolarHBondContact O-N 2.85Å
368E88Confident86.7Confident92 Ų92107.8 Ų107.843%0.4352%0.517SS..Hα-helixtrans-64.4-44.9176-74.9175.6-17000111Q364 Q365 L370 K371 Y372Q364-E368 WeakPolarHBondContact O-CG 3.44Å; Q364-E368 PolarHBondContact O-N 3.11Å; Q365-E368 PolarHBondContact O-N 2.97Å; E368-L370 PolarHBondContact O-N 2.94Å; E368-K371 PolarHBondContact O-N 3.39Å; E368-Y372 HydrophobicContact CB-CD2 4.47Å; E368-Y372 HydrophobicContact CB-CE2 4.36Å; E368-Y372 WeakPolarHBondContact O-CD2 3.4Å; E368-Y372 PolarHBondContact O-N 3.48Å
369E86.7Confident86.1Confident139 Ų139106.8 Ų106.865%0.6552%0.515SS*.Hα-helixtrans-60-47.1175.6-72.3-179.1-179.200111.9Q365 E366 S373Q365-E369 WeakPolarHBondContact O-CG 3.41Å; Q365-E369 PolarHBondContact O-N 3.35Å; E366-E369 PolarHBondContact O-N 3.42Å; E369-S373 WeakPolarHBondContact O-CB 3.34Å; E369-S373 PolarHBondContact O-N 2.94Å; E369-S373 PolarHBondContact O-OG 3.07Å
370L83.1Confident85.5Confident122 Ų122104.9 Ų104.964%0.63951%0.513SS*.Hα-helixtrans-63.5-40.8176.7-86152.7000112.4E366 E368 S373 G374E366-L370 WeakPolarHBondContact O-CB 3.4Å; E366-L370 WeakPolarHBondContact O-CD1 3.35Å; E366-L370 PolarHBondContact O-N 3.22Å; E368-L370 PolarHBondContact O-N 2.94Å; L370-S373 PolarHBondContact O-OG 2.96Å; L370-G374 PolarHBondContact O-N 3.36Å
371K83.4Confident85Confident106 Ų106100.8 Ų100.846%0.46151%0.507SS..Hα-helixtrans-64.1-47.1-179.7-175.1-179.5177.4-172.20111.3F367 E368 E375F367-K371 HydrophobicContact CE1-CD 4.17Å; F367-K371 WeakPolarHBondContact O-CB 3.44Å; F367-K371 PolarHBondContact O-N 2.85Å; E368-K371 PolarHBondContact O-N 3.39Å; K371-E375 WeakPolarHBondContact O-CB 3.44Å; K371-E375 PolarHBondContact O-N 2.82Å
372Y77.7Confident84.7Confident146 Ų146101.1 Ų101.157%0.57351%0.509SS*.Hα-helixtrans-81.2-33.4-176.8-65.5-63.5000113.4E368 T376E368-Y372 HydrophobicContact CB-CD2 4.47Å; E368-Y372 HydrophobicContact CB-CE2 4.36Å; E368-Y372 WeakPolarHBondContact O-CD2 3.4Å; E368-Y372 PolarHBondContact O-N 3.48Å; Y372-T376 PolarHBondContact O-N 2.86Å; Y372-T376 PolarHBondContact O-OG1 3.21Å
373S76.7Confident84.4Confident56 Ų56101.4 Ų101.439%0.39251%0.511SS..Hα-helixtrans-69.6-42.8173.958.90000112.1E369 L370 T376 E377E369-S373 WeakPolarHBondContact O-CB 3.34Å; E369-S373 PolarHBondContact O-N 2.94Å; E369-S373 PolarHBondContact O-OG 3.07Å; L370-S373 PolarHBondContact O-OG 2.96Å; S373-T376 PolarHBondContact O-OG1 3.28Å; S373-E377 WeakPolarHBondContact O-CG 3.35Å; S373-E377 PolarHBondContact O-N 2.87Å
374G74.1Confident84.3Confident26 Ų2699.3 Ų99.327%0.26850%0.503SS..Hα-helixtrans-66.2-41.3-179.900000113L370 E377 I378L370-G374 PolarHBondContact O-N 3.36Å; G374-E377 PolarHBondContact O-N 3.42Å; G374-I378 WeakPolarHBondContact O-CB 3.46Å; G374-I378 WeakPolarHBondContact O-CD1 3.33Å; G374-I378 WeakPolarHBondContact O-CG1 3.48Å; G374-I378 PolarHBondContact O-N 2.86Å
375E77.3Confident84.1Confident105 Ų10598.6 Ų98.649%0.49150%0.501SS..Hα-helixtrans-67.1-39.2-178.8-163.8161.8-155.100111.7K371 I378 E379K371-E375 WeakPolarHBondContact O-CB 3.44Å; K371-E375 PolarHBondContact O-N 2.82Å; E375-I378 PolarHBondContact O-N 3.45Å; E375-E379 WeakPolarHBondContact O-CB 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.47Å; E375-E379 PolarHBondContact O-N 3.4Å
376T77.2Confident84.2Confident87 Ų8799.2 Ų99.253%0.53450%0.502SS..Hα-helixtrans-68.6-39.8177.445.80000113.1Y372 S373 E379 S380Y372-T376 PolarHBondContact O-N 2.86Å; Y372-T376 PolarHBondContact O-OG1 3.21Å; S373-T376 PolarHBondContact O-OG1 3.28Å; T376-E379 PolarHBondContact O-N 2.99Å; T376-S380 WeakPolarHBondContact O-CB 3.35Å; T376-S380 PolarHBondContact O-N 3.34Å
377E80.1Confident84.2Confident136 Ų13698.9 Ų98.964%0.63650%0.5SS*.Hα-helixtrans-64.2-43.9174.6-73.1-175.6179.500111.6S373 G374 S380 A381S373-E377 WeakPolarHBondContact O-CG 3.35Å; S373-E377 PolarHBondContact O-N 2.87Å; G374-E377 PolarHBondContact O-N 3.42Å; E377-S380 PolarHBondContact O-N 3.35Å; E377-S380 PolarHBondContact O-OG 3.5Å; E377-A381 WeakPolarHBondContact O-CB 3.46Å; E377-A381 PolarHBondContact O-N 2.97Å
378I81.9Confident84.2Confident105 Ų10597.6 Ų97.654%0.53850%0.496SS..Hα-helixtrans-64.5-41.5178.3-68.7166.8000111.2G374 E375 A381 N382G374-I378 WeakPolarHBondContact O-CB 3.46Å; G374-I378 WeakPolarHBondContact O-CD1 3.33Å; G374-I378 WeakPolarHBondContact O-CG1 3.48Å; G374-I378 PolarHBondContact O-N 2.86Å; E375-I378 PolarHBondContact O-N 3.45Å; I378-A381 PolarHBondContact O-N 3.44Å; I378-N382 WeakPolarHBondContact CG2-ND2 3.5Å; I378-N382 VanDerWaalsContact O-CB 3.26Å; I378-N382 WeakPolarHBondContact O-CB 3.42Å; I378-N382 VanDerWaalsContact O-CG 3.24Å; I378-N382 PolarHBondContact O-N 2.88Å; I378-N382 PolarHBondContact O-ND2 2.89Å; I378-N382 VanDerWaalsContact O-ND2 3.1Å
379E83Confident84.4Confident123 Ų12398.4 Ų98.458%0.57550%0.5SS*.Hα-helixtrans-63-43.4175.7-78-174.7168.900111.9E375 T376 N382 Q383E375-E379 WeakPolarHBondContact O-CB 3.31Å; E375-E379 WeakPolarHBondContact O-CG 3.47Å; E375-E379 PolarHBondContact O-N 3.4Å; T376-E379 PolarHBondContact O-N 2.99Å; E379-N382 PolarHBondContact O-N 3.08Å; E379-Q383 WeakPolarHBondContact O-CB 3.41Å; E379-Q383 PolarHBondContact O-N 2.91Å
380S81.8Confident84.7Confident66 Ų6696.1 Ų96.146%0.46249%0.492SS..Hα-helixtrans-63.4-43.9176.878.50000112T376 E377 Q383 V384T376-S380 WeakPolarHBondContact O-CB 3.35Å; T376-S380 PolarHBondContact O-N 3.34Å; E377-S380 PolarHBondContact O-N 3.35Å; E377-S380 PolarHBondContact O-OG 3.5Å; S380-Q383 PolarHBondContact O-N 2.79Å; S380-V384 WeakPolarHBondContact O-CG2 3.28Å; S380-V384 PolarHBondContact O-N 2.73Å
381A84.2Confident85.1Confident47 Ų4795.7 Ų95.739%0.38849%0.486SS..Hα-helixtrans-63.7-43.4176.700000111.3E377 I378 Q383 V384 I385E377-A381 WeakPolarHBondContact O-CB 3.46Å; E377-A381 PolarHBondContact O-N 2.97Å; I378-A381 PolarHBondContact O-N 3.44Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.31Å; A381-V384 PolarHBondContact O-N 3.42Å; A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.34Å; A381-I385 PolarHBondContact O-N 2.88Å
382N88.5Confident85.5Confident77 Ų7793.6 Ų93.641%0.41249%0.489SS..Hα-helixtrans-63.8-35.2176-79.5-36.1000112.5I378 E379 K386I378-N382 WeakPolarHBondContact CG2-ND2 3.5Å; I378-N382 VanDerWaalsContact O-CB 3.26Å; I378-N382 WeakPolarHBondContact O-CB 3.42Å; I378-N382 VanDerWaalsContact O-CG 3.24Å; I378-N382 PolarHBondContact O-N 2.88Å; I378-N382 PolarHBondContact O-ND2 2.89Å; I378-N382 VanDerWaalsContact O-ND2 3.1Å; E379-N382 PolarHBondContact O-N 3.08Å; N382-K386 WeakPolarHBondContact O-CB 2.96Å; N382-K386 VanDerWaalsContact O-CG 3.3Å; N382-K386 WeakPolarHBondContact O-CG 3.22Å; N382-K386 PolarHBondContact O-N 2.99Å
383Q90.3Very high86.3Confident121 Ų12192.5 Ų92.557%0.56549%0.489SS*.Hα-helixtrans-66.3-43.1175.7-169174.18.300111.4E379 S380 A381 K386 Q387E379-Q383 WeakPolarHBondContact O-CB 3.41Å; E379-Q383 PolarHBondContact O-N 2.91Å; S380-Q383 PolarHBondContact O-N 2.79Å; A381-Q383 VanDerWaalsContact C-N 3.31Å; A381-Q383 PolarHBondContact O-N 3.31Å; Q383-K386 PolarHBondContact O-N 3.32Å; Q383-Q387 WeakPolarHBondContact O-CG 3.35Å; Q383-Q387 PolarHBondContact O-N 2.95Å
384V90.4Very high87.1Confident69 Ų6994 Ų9442%0.41849%0.492SS..Hα-helixtrans-64.5-42.6175.4174.20000111.2S380 A381 K386 Q387 H388S380-V384 WeakPolarHBondContact O-CG2 3.28Å; S380-V384 PolarHBondContact O-N 2.73Å; A381-V384 PolarHBondContact O-N 3.42Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 2.91Å; V384-Q387 WeakPolarHBondContact O-CB 3.23Å; V384-Q387 PolarHBondContact O-N 3.39Å; V384-H388 PolarHBondContact O-CD2 3.16Å; V384-H388 PolarHBondContact O-N 3.42Å
385I90.4Very high87.8Confident85 Ų8597.9 Ų97.944%0.43650%0.503SS..Hα-helixtrans-60.3-44.5175.6-69.3165.6000110.9A381 Q387 H388 Q389A381-I385 VanDerWaalsContact O-CG1 3.27Å; A381-I385 WeakPolarHBondContact O-CG1 3.34Å; A381-I385 PolarHBondContact O-N 2.88Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.33Å; I385-H388 PolarHBondContact O-N 2.85Å; I385-Q389 HydrophobicContact CG2-CG 4.37Å; I385-Q389 WeakPolarHBondContact O-CB 3.39Å; I385-Q389 VanDerWaalsContact O-CG 3.3Å; I385-Q389 WeakPolarHBondContact O-CG 3.27Å; I385-Q389 PolarHBondContact O-N 3.43Å
386K92.9Very high88.6Confident134 Ų13496.1 Ų96.158%0.58350%0.497SS*.Hα-helixtrans-62.9-38.6176.5-76.1174.3-177.8175.20112.3N382 Q383 V384 Q389 N390N382-K386 WeakPolarHBondContact O-CB 2.96Å; N382-K386 VanDerWaalsContact O-CG 3.3Å; N382-K386 WeakPolarHBondContact O-CG 3.22Å; N382-K386 PolarHBondContact O-N 2.99Å; Q383-K386 PolarHBondContact O-N 3.32Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 2.91Å; K386-Q389 PolarHBondContact O-N 3.43Å; K386-N390 VanDerWaalsContact O-CG 3.26Å; K386-N390 PolarHBondContact O-N 3.42Å; K386-N390 PolarHBondContact O-ND2 3.46Å
387Q92Very high89.4Confident99 Ų9997.4 Ų97.446%0.46350%0.497SS..Hα-helixtrans-61.7-49.5175.1-74.1173.90.500111.1Q383 V384 I385 Q389 N390 E391Q383-Q387 WeakPolarHBondContact O-CG 3.35Å; Q383-Q387 PolarHBondContact O-N 2.95Å; V384-Q387 WeakPolarHBondContact O-CB 3.23Å; V384-Q387 PolarHBondContact O-N 3.39Å; I385-Q387 VanDerWaalsContact C-N 3.33Å; I385-Q387 PolarHBondContact O-N 3.33Å; Q387-Q389 VanDerWaalsContact C-N 3.34Å; Q387-Q389 PolarHBondContact O-N 3.02Å; Q387-N390 WeakPolarHBondContact O-CB 3.41Å; Q387-N390 PolarHBondContact O-N 3.01Å; Q387-N390 VanDerWaalsContact O-N 3.16Å; Q387-E391 WeakPolarHBondContact O-CG 3.35Å; Q387-E391 PolarHBondContact O-N 2.89Å
388H89.2Confident90Very high109 Ų10998 Ų9851%0.50549%0.494SS..Hα-helixtrans-65.4-34.6177.9-70.2-43.6000113.5V384 I385 E391 A392V384-H388 PolarHBondContact O-CD2 3.16Å; V384-H388 PolarHBondContact O-N 3.42Å; I385-H388 PolarHBondContact O-N 2.85Å; H388-E391 IonicContact CE1-OE2 2.66Å; H388-E391 IonicContact ND1-OE2 2.77Å; H388-E391 PolarHBondContact ND1-OE2 3.09Å; H388-E391 PolarHBondContact O-N 2.88Å; H388-A392 WeakPolarHBondContact O-CB 3.29Å; H388-A392 PolarHBondContact O-N 3.46Å
389Q92.1Very high90.5Very high109 Ų10999.8 Ų99.851%0.50949%0.493SS..Hα-helixtrans-62.9-42.2172.6-76.5177.4-6.200111.6I385 K386 Q387 A392 Q393I385-Q389 HydrophobicContact CG2-CG 4.37Å; I385-Q389 WeakPolarHBondContact O-CB 3.39Å; I385-Q389 VanDerWaalsContact O-CG 3.3Å; I385-Q389 WeakPolarHBondContact O-CG 3.27Å; I385-Q389 PolarHBondContact O-N 3.43Å; K386-Q389 PolarHBondContact O-N 3.43Å; Q387-Q389 VanDerWaalsContact C-N 3.34Å; Q387-Q389 PolarHBondContact O-N 3.02Å; Q389-A392 PolarHBondContact O-N 2.97Å; Q389-Q393 WeakPolarHBondContact O-CG 3.29Å; Q389-Q393 PolarHBondContact O-N 2.73Å
390N92.2Very high91.1Very high90 Ų9097.7 Ų97.748%0.48149%0.486SS..Hα-helixtrans-66.4-43176.4-71.2-19.1000111.8K386 Q387 A392 Q393 I394K386-N390 VanDerWaalsContact O-CG 3.26Å; K386-N390 PolarHBondContact O-N 3.42Å; K386-N390 PolarHBondContact O-ND2 3.46Å; Q387-N390 WeakPolarHBondContact O-CB 3.41Å; Q387-N390 PolarHBondContact O-N 3.01Å; Q387-N390 VanDerWaalsContact O-N 3.16Å; N390-A392 VanDerWaalsContact C-N 3.35Å; N390-A392 PolarHBondContact O-N 3.33Å; N390-Q393 PolarHBondContact O-N 3.44Å; N390-I394 WeakPolarHBondContact O-CG1 3.42Å; N390-I394 PolarHBondContact O-N 3.35Å
391E91.9Very high91.7Very high113 Ų113100.5 Ų100.553%0.52849%0.489SS..Hα-helixtrans-59.9-44.2175.4-71.9171.9168.500111.7Q387 H388 Q393 I394 E395Q387-E391 WeakPolarHBondContact O-CG 3.35Å; Q387-E391 PolarHBondContact O-N 2.89Å; H388-E391 IonicContact CE1-OE2 2.66Å; H388-E391 IonicContact ND1-OE2 2.77Å; H388-E391 PolarHBondContact ND1-OE2 3.09Å; H388-E391 PolarHBondContact O-N 2.88Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 2.96Å; E391-I394 PolarHBondContact O-N 3.41Å; E391-E395 PolarHBondContact O-N 3.05Å
392A91.2Very high92.1Very high63 Ų63102.2 Ų102.252%0.52150%0.497SS..Hα-helixtrans-63.5-37.5176.700000112.6H388 Q389 N390 N396H388-A392 WeakPolarHBondContact O-CB 3.29Å; H388-A392 PolarHBondContact O-N 3.46Å; Q389-A392 PolarHBondContact O-N 2.97Å; N390-A392 VanDerWaalsContact C-N 3.35Å; N390-A392 PolarHBondContact O-N 3.33Å; A392-N396 WeakPolarHBondContact O-CB 3.37Å; A392-N396 PolarHBondContact O-N 3.37Å
393Q94.3Very high92.3Very high123 Ų123105.8 Ų105.858%0.57551%0.506SS*.Hα-helixtrans-65.6-45.6174.9-74.9177.75.800111.8Q389 N390 E391 E395 N396 E397Q389-Q393 WeakPolarHBondContact O-CG 3.29Å; Q389-Q393 PolarHBondContact O-N 2.73Å; N390-Q393 PolarHBondContact O-N 3.44Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 2.96Å; Q393-E395 VanDerWaalsContact C-N 3.33Å; Q393-E395 PolarHBondContact O-N 3.3Å; Q393-N396 PolarHBondContact O-N 3.21Å; Q393-E397 PolarHBondContact O-N 2.95Å
394I93.9Very high92.5Very high86 Ų86105 Ų10544%0.44150%0.503SS..Hα-helixtrans-60.8-43.3178-67.9166000110.9N390 E391 E397 R398N390-I394 WeakPolarHBondContact O-CG1 3.42Å; N390-I394 PolarHBondContact O-N 3.35Å; E391-I394 PolarHBondContact O-N 3.41Å; I394-E397 PolarHBondContact O-N 3.1Å; I394-R398 WeakPolarHBondContact O-CG 3.46Å; I394-R398 PolarHBondContact O-N 2.66Å
395E89.4Confident92.7Very high108 Ų108106.9 Ų106.951%0.50551%0.51SS..Hα-helixtrans-69.3-34.3179.4-163.455.4-144.700112E391 Q393 R398 R399E391-E395 PolarHBondContact O-N 3.05Å; Q393-E395 VanDerWaalsContact C-N 3.33Å; Q393-E395 PolarHBondContact O-N 3.3Å; E395-R398 PolarHBondContact O-N 2.77Å; E395-R398 WeakPolarHBondContact OE2-CD 3.22Å; E395-R398 IonicContact OE2-CZ 3.79Å; E395-R398 IonicContact OE2-NH1 2.74Å; E395-R398 PolarHBondContact OE2-NH1 3.12Å; E395-R399 WeakPolarHBondContact O-CB 3.37Å; E395-R399 PolarHBondContact O-N 3.38Å
396N93.4Very high92.9Very high68 Ų68107.3 Ų107.336%0.36451%0.513SS..Hα-helixtrans-65.2-40.8173-169.932000112.2A392 Q393 R398 R399 I400A392-N396 WeakPolarHBondContact O-CB 3.37Å; A392-N396 PolarHBondContact O-N 3.37Å; Q393-N396 PolarHBondContact O-N 3.21Å; N396-R398 VanDerWaalsContact C-N 3.35Å; N396-R398 PolarHBondContact O-N 2.93Å; N396-R399 WeakPolarHBondContact O-CB 3.35Å; N396-R399 PolarHBondContact O-N 2.89Å; N396-R399 PolarHBondContact OD1-NE 3.35Å; N396-R399 PolarHBondContact OD1-NH2 3.42Å; N396-I400 WeakPolarHBondContact O-CG1 3.3Å; N396-I400 PolarHBondContact O-N 3.23Å
397E94.3Very high92.9Very high115 Ų115107.4 Ų107.454%0.53752%0.515SS..Hα-helixtrans-62.6-40.4173.9-72.1-175.2178.900112.3Q393 I394 I400 K401Q393-E397 PolarHBondContact O-N 2.95Å; I394-E397 PolarHBondContact O-N 3.1Å; E397-I400 PolarHBondContact O-N 3.04Å; E397-K401 WeakPolarHBondContact O-CG 3.42Å; E397-K401 PolarHBondContact O-N 2.8Å
398R93Very high93.1Very high149 Ų149107.8 Ų107.856%0.56252%0.521SS*.Hα-helixtrans-61.9-44.1174.2-73.1173.2177.2175.3-1.8111.7I394 E395 N396 I400 K401 C402I394-R398 WeakPolarHBondContact O-CG 3.46Å; I394-R398 PolarHBondContact O-N 2.66Å; E395-R398 PolarHBondContact O-N 2.77Å; E395-R398 WeakPolarHBondContact OE2-CD 3.22Å; E395-R398 IonicContact OE2-CZ 3.79Å; E395-R398 IonicContact OE2-NH1 2.74Å; E395-R398 PolarHBondContact OE2-NH1 3.12Å; N396-R398 VanDerWaalsContact C-N 3.35Å; N396-R398 PolarHBondContact O-N 2.93Å; R398-I400 PolarHBondContact O-N 2.96Å; R398-K401 PolarHBondContact O-N 3.48Å; R398-C402 PolarHBondContact O-N 2.96Å
399R92.5Very high93.3Very high141 Ų141105.3 Ų105.353%0.53252%0.519SS..Hα-helixtrans-58.7-47.1175.9-175.1-179.268.5166.91.8111.5E395 N396 K401 C402 Y403E395-R399 WeakPolarHBondContact O-CB 3.37Å; E395-R399 PolarHBondContact O-N 3.38Å; N396-R399 WeakPolarHBondContact O-CB 3.35Å; N396-R399 PolarHBondContact O-N 2.89Å; N396-R399 PolarHBondContact OD1-NE 3.35Å; N396-R399 PolarHBondContact OD1-NH2 3.42Å; R399-K401 PolarHBondContact O-N 3.29Å; R399-C402 WeakPolarHBondContact O-CB 3.13Å; R399-C402 PolarHBondContact O-N 3.37Å; R399-Y403 HydrophobicContact CG-CD2 3.83Å; R399-Y403 HydrophobicContact CG-CE2 3.61Å; R399-Y403 VanDerWaalsContact O-CD2 3.24Å; R399-Y403 WeakPolarHBondContact O-CD2 3.15Å; R399-Y403 PolarHBondContact O-N 2.88Å
400I94.6Very high93.3Very high80 Ų80103.9 Ų103.941%0.4152%0.515SS..Hα-helixtrans-60.7-45.2178.3-67.8165.3000111N396 E397 R398 C402 Y403 Q404N396-I400 WeakPolarHBondContact O-CG1 3.3Å; N396-I400 PolarHBondContact O-N 3.23Å; E397-I400 PolarHBondContact O-N 3.04Å; R398-I400 PolarHBondContact O-N 2.96Å; I400-C402 VanDerWaalsContact C-N 3.32Å; I400-C402 PolarHBondContact O-N 2.94Å; I400-Y403 PolarHBondContact O-N 3.34Å; I400-Q404 WeakPolarHBondContact O-CG 3.29Å; I400-Q404 PolarHBondContact O-N 2.88Å
401K94.7Very high93.4Very high125 Ų125104.8 Ų104.854%0.54352%0.516SS..Hα-helixtrans-61-39.7176.1-71.6173.8-176.7171.50112.2E397 R398 R399 Q404 N405E397-K401 WeakPolarHBondContact O-CG 3.42Å; E397-K401 PolarHBondContact O-N 2.8Å; R398-K401 PolarHBondContact O-N 3.48Å; R399-K401 PolarHBondContact O-N 3.29Å; K401-Q404 PolarHBondContact O-N 3.01Å; K401-N405 VanDerWaalsContact O-CG 3.24Å; K401-N405 PolarHBondContact O-N 2.97Å; K401-N405 PolarHBondContact O-ND2 3.34Å
402C92.9Very high93.5Very high82 Ų82104.3 Ų104.355%0.55452%0.516SS*.Hα-helixtrans-63.2-44.8176.1-169.40000111.8R398 R399 I400 Q404 N405 L406R398-C402 PolarHBondContact O-N 2.96Å; R399-C402 WeakPolarHBondContact O-CB 3.13Å; R399-C402 PolarHBondContact O-N 3.37Å; I400-C402 VanDerWaalsContact C-N 3.32Å; I400-C402 PolarHBondContact O-N 2.94Å; C402-Q404 PolarHBondContact O-N 3.23Å; C402-N405 PolarHBondContact O-N 2.83Å; C402-L406 WeakPolarHBondContact O-CB 3.43Å; C402-L406 PolarHBondContact O-N 3.34Å
403Y93.3Very high93.5Very high153 Ų153106.1 Ų106.160%0.652%0.517SS*.Hα-helixtrans-61.7-43175.3-84.4-69.6000112.7R399 I400 N405 L406 E407R399-Y403 HydrophobicContact CG-CD2 3.83Å; R399-Y403 HydrophobicContact CG-CE2 3.61Å; R399-Y403 VanDerWaalsContact O-CD2 3.24Å; R399-Y403 WeakPolarHBondContact O-CD2 3.15Å; R399-Y403 PolarHBondContact O-N 2.88Å; I400-Y403 PolarHBondContact O-N 3.34Å; Y403-N405 VanDerWaalsContact C-N 3.33Å; Y403-N405 PolarHBondContact O-N 3.44Å; Y403-L406 PolarHBondContact O-N 3.18Å; Y403-E407 WeakPolarHBondContact O-CB 3.28Å; Y403-E407 PolarHBondContact O-N 2.89Å
404Q94.7Very high93.2Very high104 Ų104105.2 Ų105.249%0.48652%0.515SS..Hα-helixtrans-61.5-41.3175.4-72.8175.8-13.200112I400 K401 C402 L406 E407 N408I400-Q404 WeakPolarHBondContact O-CG 3.29Å; I400-Q404 PolarHBondContact O-N 2.88Å; K401-Q404 PolarHBondContact O-N 3.01Å; C402-Q404 PolarHBondContact O-N 3.23Å; Q404-L406 VanDerWaalsContact C-N 3.35Å; Q404-E407 PolarHBondContact O-N 3.3Å; Q404-N408 WeakPolarHBondContact O-CB 3.16Å; Q404-N408 PolarHBondContact O-N 2.86Å; Q404-N408 PolarHBondContact O-ND2 3.44Å
405N94.2Very high93.1Very high108 Ų108105.8 Ų105.858%0.57852%0.516SS*.Hα-helixtrans-64.7-39.5176-70.5-16.7000112.1K401 C402 Y403 N408 A409K401-N405 VanDerWaalsContact O-CG 3.24Å; K401-N405 PolarHBondContact O-N 2.97Å; K401-N405 PolarHBondContact O-ND2 3.34Å; C402-N405 PolarHBondContact O-N 2.83Å; Y403-N405 VanDerWaalsContact C-N 3.33Å; Y403-N405 PolarHBondContact O-N 3.44Å; N405-N408 PolarHBondContact O-N 3.44Å; N405-A409 WeakPolarHBondContact O-CB 3.39Å; N405-A409 PolarHBondContact O-N 2.76Å
406L93.7Very high93.1Very high95 Ų95104 Ų10450%0.49751%0.514SS..Hα-helixtrans-66.3-41.1176-178.4143.7000111.7C402 Y403 Q404 A409 N410C402-L406 WeakPolarHBondContact O-CB 3.43Å; C402-L406 PolarHBondContact O-N 3.34Å; Y403-L406 PolarHBondContact O-N 3.18Å; Q404-L406 VanDerWaalsContact C-N 3.35Å; L406-A409 PolarHBondContact O-N 3.34Å; L406-N410 VanDerWaalsContact CD2-ND2 3.33Å; L406-N410 WeakPolarHBondContact CD2-ND2 3.21Å; L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 PolarHBondContact O-N 2.94Å; L406-N410 PolarHBondContact O-ND2 2.86Å
407E93.9Very high92.9Very high135 Ų135103.6 Ų103.663%0.63151%0.509SS*.Hα-helixtrans-63.4-43.3175.4-168.4177-177.100111.5Y403 Q404 N410 H411Y403-E407 WeakPolarHBondContact O-CB 3.28Å; Y403-E407 PolarHBondContact O-N 2.89Å; Q404-E407 PolarHBondContact O-N 3.3Å; E407-N410 PolarHBondContact O-N 2.92Å; E407-H411 WeakPolarHBondContact O-CB 3.4Å; E407-H411 PolarHBondContact O-N 2.93Å
408N94.8Very high92.5Very high107 Ų107101 Ų10157%0.57250%0.501SS*.Hα-helixtrans-62.3-42.9174.4-70.2-25.6000112.2Q404 N405 H411 L412Q404-N408 WeakPolarHBondContact O-CB 3.16Å; Q404-N408 PolarHBondContact O-N 2.86Å; Q404-N408 PolarHBondContact O-ND2 3.44Å; N405-N408 PolarHBondContact O-N 3.44Å; N408-H411 PolarHBondContact O-N 3.31Å; N408-L412 WeakPolarHBondContact O-CB 3.36Å; N408-L412 PolarHBondContact O-N 3.47Å
409A94.4Very high92.3Very high57 Ų5795.2 Ų95.247%0.47149%0.489SS..Hα-helixtrans-65.9-41.3177.500000111.9N405 L406 L412 L413N405-A409 WeakPolarHBondContact O-CB 3.39Å; N405-A409 PolarHBondContact O-N 2.76Å; L406-A409 PolarHBondContact O-N 3.34Å; A409-L412 PolarHBondContact O-N 3.43Å; A409-L413 WeakPolarHBondContact O-CB 3.35Å; A409-L413 PolarHBondContact O-N 3.02Å
410N92.4Very high92.1Very high79 Ų7989.2 Ų89.242%0.42247%0.468SS..Hα-helixtrans-64.5-41.7173.9-78.2-21000111.6L406 E407 L413 I414L406-N410 VanDerWaalsContact CD2-ND2 3.33Å; L406-N410 WeakPolarHBondContact CD2-ND2 3.21Å; L406-N410 WeakPolarHBondContact O-CB 3.46Å; L406-N410 PolarHBondContact O-N 2.94Å; L406-N410 PolarHBondContact O-ND2 2.86Å; E407-N410 PolarHBondContact O-N 2.92Å; N410-L413 PolarHBondContact O-N 3.48Å; N410-I414 VanDerWaalsContact O-CG1 3.25Å; N410-I414 WeakPolarHBondContact O-CG1 3.44Å; N410-I414 PolarHBondContact O-N 3.36Å
411H93.7Very high91.6Very high110 Ų11086.8 Ų86.851%0.50946%0.456SS..Hα-helixtrans-61.3-45.1175.6-171.765000111.4E407 N408 L413 I414 Q415E407-H411 WeakPolarHBondContact O-CB 3.4Å; E407-H411 PolarHBondContact O-N 2.93Å; N408-H411 PolarHBondContact O-N 3.31Å; H411-L413 VanDerWaalsContact C-N 3.35Å; H411-L413 PolarHBondContact O-N 3.4Å; H411-I414 PolarHBondContact O-N 2.92Å; H411-Q415 PolarHBondContact CD2-NE2 3.23Å; H411-Q415 VanDerWaalsContact CD2-NE2 3.31Å; H411-Q415 PolarHBondContact NE2-NE2 3.38Å; H411-Q415 WeakPolarHBondContact O-CG 3.25Å; H411-Q415 PolarHBondContact O-N 3.09Å
412L93.8Very high91.2Very high102 Ų10286.4 Ų86.453%0.53446%0.455SS..Hα-helixtrans-61.6-42174.4-176.467.2000111.6N408 A409 I414 Q415 C416N408-L412 WeakPolarHBondContact O-CB 3.36Å; N408-L412 PolarHBondContact O-N 3.47Å; A409-L412 PolarHBondContact O-N 3.43Å; L412-I414 PolarHBondContact O-N 3.24Å; L412-Q415 WeakPolarHBondContact O-CB 3.28Å; L412-Q415 PolarHBondContact O-N 3.47Å; L412-C416 WeakPolarHBondContact O-CB 3.46Å; L412-C416 PolarHBondContact O-N 2.71Å; L412-C416 PolarHBondContact O-SG 2.93Å
413L90.8Very high90.9Very high102 Ų10286.1 Ų86.153%0.53445%0.448SS..Hα-helixtrans-62.8-41.9177.4-17667.4000111.8A409 N410 H411 C416 K417A409-L413 WeakPolarHBondContact O-CB 3.35Å; A409-L413 PolarHBondContact O-N 3.02Å; N410-L413 PolarHBondContact O-N 3.48Å; H411-L413 VanDerWaalsContact C-N 3.35Å; H411-L413 PolarHBondContact O-N 3.4Å; L413-C416 PolarHBondContact O-N 3.49Å; L413-K417 WeakPolarHBondContact O-CB 3.33Å; L413-K417 PolarHBondContact O-N 3.41Å
414I89.8Confident90.5Very high103 Ų10380.9 Ų80.953%0.52843%0.427SS..Hα-helixtrans-64.7-42.5175.3-67.2163.5000110.4N410 H411 L412 K417 T418N410-I414 VanDerWaalsContact O-CG1 3.25Å; N410-I414 WeakPolarHBondContact O-CG1 3.44Å; N410-I414 PolarHBondContact O-N 3.36Å; H411-I414 PolarHBondContact O-N 2.92Å; L412-I414 PolarHBondContact O-N 3.24Å; I414-K417 PolarHBondContact O-N 2.94Å; I414-T418 HydrophobicContact CG2-CG2 4.4Å; I414-T418 WeakPolarHBondContact O-CB 3.42Å; I414-T418 WeakPolarHBondContact O-CG2 3.49Å; I414-T418 PolarHBondContact O-N 2.84Å; I414-T418 PolarHBondContact O-OG1 3.39Å
415Q91.7Very high90Very high99 Ų9980.7 Ų80.746%0.46343%0.429SS..Hα-helixtrans-61.6-42.6174-73.4-178.6-4.900112.1H411 L412 T418 G419H411-Q415 PolarHBondContact CD2-NE2 3.23Å; H411-Q415 VanDerWaalsContact CD2-NE2 3.31Å; H411-Q415 PolarHBondContact NE2-NE2 3.38Å; H411-Q415 WeakPolarHBondContact O-CG 3.25Å; H411-Q415 PolarHBondContact O-N 3.09Å; L412-Q415 WeakPolarHBondContact O-CB 3.28Å; L412-Q415 PolarHBondContact O-N 3.47Å; Q415-T418 WeakPolarHBondContact CA-OG1 3.41Å; Q415-T418 PolarHBondContact O-OG1 2.88Å; Q415-G419 PolarHBondContact O-N 2.84Å
416C89.1Confident89.4Confident70 Ų7082.4 Ų82.447%0.47343%0.432SS..Hα-helixtrans-64-44175.4-73.20000111.4L412 L413 G419 V420L412-C416 WeakPolarHBondContact O-CB 3.46Å; L412-C416 PolarHBondContact O-N 2.71Å; L412-C416 PolarHBondContact O-SG 2.93Å; L413-C416 PolarHBondContact O-N 3.49Å; C416-G419 PolarHBondContact O-N 3.3Å; C416-V420 WeakPolarHBondContact O-CG2 3.3Å; C416-V420 PolarHBondContact O-N 3.22Å
417K87.6Confident88.8Confident59 Ų5978.5 Ų78.526%0.25741%0.411SS..Hα-helixtrans-61.5-53.2178.1-179.2173.9173170.80111.2L413 I414 G419 V420 D421 N464 I467L413-K417 WeakPolarHBondContact O-CB 3.33Å; L413-K417 PolarHBondContact O-N 3.41Å; I414-K417 PolarHBondContact O-N 2.94Å; K417-G419 VanDerWaalsContact C-N 3.26Å; K417-G419 PolarHBondContact O-N 3.39Å; K417-V420 PolarHBondContact O-N 3.02Å; K417-V420 VanDerWaalsContact O-N 3.08Å; K417-D421 PolarHBondContact O-N 2.98Å; K417-N464 VanDerWaalsContact CE-O 3.28Å; K417-N464 WeakPolarHBondContact CE-O 3.24Å; K417-N464 PolarHBondContact NZ-O 3.24Å; K417-I467 HydrophobicContact CB-CD1 4.04Å; K417-I467 HydrophobicContact CD-CD1 4.22Å; K417-I467 HydrophobicContact CG-CD1 4.03Å; K417-I467 HydrophobicContact CG-CG1 4.35Å
418T87.5Confident87.8Confident60 Ų6075.3 Ų75.337%0.36840%0.404SS..Hα-helixtrans-60-36.2175.752.30000112.3I414 Q415 D421 H422I414-T418 HydrophobicContact CG2-CG2 4.4Å; I414-T418 WeakPolarHBondContact O-CB 3.42Å; I414-T418 WeakPolarHBondContact O-CG2 3.49Å; I414-T418 PolarHBondContact O-N 2.84Å; I414-T418 PolarHBondContact O-OG1 3.39Å; Q415-T418 WeakPolarHBondContact CA-OG1 3.41Å; Q415-T418 PolarHBondContact O-OG1 2.88Å; T418-D421 PolarHBondContact O-N 3.04Å; T418-H422 WeakPolarHBondContact O-CB 3.35Å; T418-H422 PolarHBondContact O-CD2 3.1Å; T418-H422 PolarHBondContact O-N 3.25Å
419G88.8Confident86.6Confident29 Ų2977.2 Ų77.230%0.29941%0.407SS..Hα-helixtrans-63.4-42.6172.600000113.4Q415 C416 K417 I423Q415-G419 PolarHBondContact O-N 2.84Å; C416-G419 PolarHBondContact O-N 3.3Å; K417-G419 VanDerWaalsContact C-N 3.26Å; K417-G419 PolarHBondContact O-N 3.39Å; G419-I423 VanDerWaalsContact O-CG1 3.26Å; G419-I423 WeakPolarHBondContact O-CG1 3.43Å; G419-I423 PolarHBondContact O-N 2.91Å
420V87.1Confident85.1Confident15 Ų1576.8 Ų76.89%0.09140%0.397CS..Hα-helixtrans-66.8-44.9174.8171.60000110.9C416 K417 H422 I423 Y424 I467 M470 L471C416-V420 WeakPolarHBondContact O-CG2 3.3Å; C416-V420 PolarHBondContact O-N 3.22Å; K417-V420 PolarHBondContact O-N 3.02Å; K417-V420 VanDerWaalsContact O-N 3.08Å; V420-H422 VanDerWaalsContact C-N 3.32Å; V420-H422 PolarHBondContact O-N 3.15Å; V420-I423 PolarHBondContact O-N 3.13Å; V420-I423 VanDerWaalsContact O-N 3.14Å; V420-Y424 WeakPolarHBondContact O-CB 3.47Å; V420-Y424 PolarHBondContact O-N 2.95Å; V420-I467 HydrophobicContact CB-CG2 4.45Å; V420-I467 HydrophobicContact CG1-CG2 4.26Å; V420-I467 HydrophobicContact CG2-CG2 4.18Å; V420-M470 HydrophobicContact CG1-CB 3.96Å; V420-L471 HydrophobicContact CG1-CD2 4.29Å; V420-L471 HydrophobicContact CG1-CG 4.06Å; V420-L471 HydrophobicContact CG2-CD1 4.35Å; V420-L471 HydrophobicContact CG2-CD2 3.8Å; V420-L471 HydrophobicContact CG2-CG 4Å
421D84.8Confident83.4Confident29 Ų2980.1 Ų80.116%0.15542%0.415CS..Hα-helixtrans-58.7-45.3176.3-63.1-22.5000110.3K417 T418 I423 Y424 D425K417-D421 PolarHBondContact O-N 2.98Å; T418-D421 PolarHBondContact O-N 3.04Å; D421-I423 VanDerWaalsContact C-N 3.35Å; D421-I423 PolarHBondContact O-N 3.14Å; D421-Y424 WeakPolarHBondContact O-CB 3.39Å; D421-Y424 PolarHBondContact O-N 3.36Å; D421-D425 WeakPolarHBondContact O-CB 3.23Å; D421-D425 VanDerWaalsContact O-CG 3.32Å; D421-D425 PolarHBondContact O-N 3.1Å
422H86.7Confident81.4Confident117 Ų11776.2 Ų76.254%0.54240%0.399SS..Hα-helixtrans-62-37.7175.6-74.1-168.9000113.2T418 V420 K426T418-H422 WeakPolarHBondContact O-CB 3.35Å; T418-H422 PolarHBondContact O-CD2 3.1Å; T418-H422 PolarHBondContact O-N 3.25Å; V420-H422 VanDerWaalsContact C-N 3.32Å; V420-H422 PolarHBondContact O-N 3.15Å; H422-K426 VanDerWaalsContact O-CB 3.3Å; H422-K426 WeakPolarHBondContact O-CB 3.29Å; H422-K426 VanDerWaalsContact O-CG 3.23Å; H422-K426 WeakPolarHBondContact O-CG 3.3Å; H422-K426 PolarHBondContact O-N 2.89Å
423I85.7Confident79.1Confident76 Ų7677.8 Ų77.839%0.3941%0.407SS..Hα-helixtrans-68.6-42.9175.4-68.8164.7000109.7G419 V420 D421 K426 L427 C474G419-I423 VanDerWaalsContact O-CG1 3.26Å; G419-I423 WeakPolarHBondContact O-CG1 3.43Å; G419-I423 PolarHBondContact O-N 2.91Å; V420-I423 PolarHBondContact O-N 3.13Å; V420-I423 VanDerWaalsContact O-N 3.14Å; D421-I423 VanDerWaalsContact C-N 3.35Å; D421-I423 PolarHBondContact O-N 3.14Å; I423-K426 CarbonylContact O-C 3.59Å; I423-K426 PolarHBondContact O-N 3.27Å; I423-L427 HydrophobicContact CG2-CD1 3.69Å; I423-L427 HydrophobicContact CG2-CG 4.39Å; I423-L427 WeakPolarHBondContact O-CB 3.42Å; I423-L427 VanDerWaalsContact O-CG 3.27Å; I423-L427 WeakPolarHBondContact O-CG 3.43Å; I423-L427 PolarHBondContact O-N 3.34Å; I423-C474 HydrophobicContact CG2-CB 4.06Å
424Y84.1Confident77Confident43 Ų4378 Ų7817%0.16941%0.408CS..Hα-helixtrans-60.8-47.7177.9-177.1-95.8000111.6V420 D421 K426 L427 S428 M470 I473 C474V420-Y424 WeakPolarHBondContact O-CB 3.47Å; V420-Y424 PolarHBondContact O-N 2.95Å; D421-Y424 WeakPolarHBondContact O-CB 3.39Å; D421-Y424 PolarHBondContact O-N 3.36Å; Y424-K426 VanDerWaalsContact C-N 3.35Å; Y424-K426 PolarHBondContact O-N 2.87Å; Y424-L427 CarbonylContact O-C 3.56Å; Y424-L427 PolarHBondContact O-N 3.31Å; Y424-S428 PolarHBondContact O-N 3.38Å; Y424-M470 HydrophobicContact CD2-CB 4.25Å; Y424-M470 HydrophobicContact CD2-CG 4.26Å; Y424-I473 HydrophobicContact CD2-CG2 4.42Å; Y424-I473 HydrophobicContact CE2-CB 4.24Å; Y424-I473 HydrophobicContact CE2-CD1 4.11Å; Y424-I473 HydrophobicContact CE2-CG2 3.88Å; Y424-C474 VanDerWaalsContact CA-SG 3.6Å
425D84.2Confident74.7Confident99 Ų9977.8 Ų77.853%0.52941%0.412SS..Hα-helixtrans-60.9-42.6175.1-72.6-13.4000111.5D421 L427 S428D421-D425 WeakPolarHBondContact O-CB 3.23Å; D421-D425 VanDerWaalsContact O-CG 3.32Å; D421-D425 PolarHBondContact O-N 3.1Å; D425-L427 PolarHBondContact O-N 3.26Å; D425-S428 VanDerWaalsContact O-CB 3.27Å; D425-S428 WeakPolarHBondContact O-CB 3.39Å; D425-S428 PolarHBondContact O-N 3.1Å; D425-S428 PolarHBondContact O-OG 2.79Å
426K82.6Confident72.4Confident145 Ų14582.8 Ų82.863%0.6343%0.432SS*.Hα-helixtrans-69-13.9174-77.6175.4-175.7-69.90113.8H422 I423 Y424 F429H422-K426 VanDerWaalsContact O-CB 3.3Å; H422-K426 WeakPolarHBondContact O-CB 3.29Å; H422-K426 VanDerWaalsContact O-CG 3.23Å; H422-K426 WeakPolarHBondContact O-CG 3.3Å; H422-K426 PolarHBondContact O-N 2.89Å; I423-K426 CarbonylContact O-C 3.59Å; I423-K426 PolarHBondContact O-N 3.27Å; Y424-K426 VanDerWaalsContact C-N 3.35Å; Y424-K426 PolarHBondContact O-N 2.87Å; K426-F429 WeakPolarHBondContact O-CD1 3.25Å; K426-F429 WeakPolarHBondContact O-CE1 3.46Å; K426-F429 WeakPolarHBondContact O-CZ 3.48Å
427L80.5Confident70Confident12 Ų1282.3 Ų82.36%0.06344%0.439CS..Hα-helixtrans-1050.3174.9-65.5170.4000111.2I423 Y424 D425 F429 L430 C474 K477 L478I423-L427 HydrophobicContact CG2-CD1 3.69Å; I423-L427 HydrophobicContact CG2-CG 4.39Å; I423-L427 WeakPolarHBondContact O-CB 3.42Å; I423-L427 VanDerWaalsContact O-CG 3.27Å; I423-L427 WeakPolarHBondContact O-CG 3.43Å; I423-L427 PolarHBondContact O-N 3.34Å; Y424-L427 CarbonylContact O-C 3.56Å; Y424-L427 PolarHBondContact O-N 3.31Å; D425-L427 PolarHBondContact O-N 3.26Å; L427-F429 PolarHBondContact O-N 3.03Å; L427-L430 HydrophobicContact CD2-CD1 3.81Å; L427-L430 PolarHBondContact O-N 3.08Å; L427-C474 HydrophobicContact CD1-CB 3.78Å; L427-K477 HydrophobicContact CB-CB 4.3Å; L427-K477 HydrophobicContact CB-CD 3.71Å; L427-K477 HydrophobicContact CD1-CB 4.25Å; L427-K477 VanDerWaalsContact O-CD 3.32Å; L427-K477 WeakPolarHBondContact O-CD 3.25Å; L427-K477 PolarHBondContact O-NZ 2.86Å; L427-L478 HydrophobicContact CD1-CD1 4.4Å; L427-L478 HydrophobicContact CD1-CD2 4.39Å; L427-L478 HydrophobicContact CD1-CG 3.93Å; L427-L478 HydrophobicContact CD2-CD2 4.13Å; L427-L478 HydrophobicContact CD2-CG 4.42Å
428S73Confident68Low69 Ų6984.3 Ų84.348%0.48345%0.451SS..THydrogen-bonded Turntrans-61-30.8179.666.50000113.2Y424 D425 L430Y424-S428 PolarHBondContact O-N 3.38Å; D425-S428 VanDerWaalsContact O-CB 3.27Å; D425-S428 WeakPolarHBondContact O-CB 3.39Å; D425-S428 PolarHBondContact O-N 3.1Å; D425-S428 PolarHBondContact O-OG 2.79Å; S428-L430 VanDerWaalsContact C-N 3.25Å; S428-L430 PolarHBondContact O-N 3.42Å
429F69Low65.8Low147 Ų14789.6 Ų89.665%0.64547%0.472SS*.THydrogen-bonded Turntrans-72.2-14.8179.356.5-108.8000114.5K426 L427 N431K426-F429 WeakPolarHBondContact O-CD1 3.25Å; K426-F429 WeakPolarHBondContact O-CE1 3.46Å; K426-F429 WeakPolarHBondContact O-CZ 3.48Å; L427-F429 PolarHBondContact O-N 3.03Å; F429-N431 PolarHBondContact O-N 3.39Å
430L63.5Low63.5Low48 Ų4896.3 Ų96.325%0.25150%0.495SS..  trans-82.996.2172.4-63.3166.4000107.9L427 S428 V432 K477 L481L427-L430 HydrophobicContact CD2-CD1 3.81Å; L427-L430 PolarHBondContact O-N 3.08Å; S428-L430 VanDerWaalsContact C-N 3.25Å; S428-L430 PolarHBondContact O-N 3.42Å; L430-V432 HydrophobicContact CB-CG2 4.42Å; L430-V432 PolarHBondContact O-N 2.89Å; L430-K477 HydrophobicContact CD1-CB 4.37Å; L430-L481 HydrophobicContact CD1-CB 4.26Å; L430-L481 HydrophobicContact CD1-CD1 3.57Å; L430-L481 HydrophobicContact CD1-CG 4.49Å; L430-L481 HydrophobicContact CD2-CD1 4.25Å; L430-L481 HydrophobicContact CG-CD1 4.45Å
431N56.3Low61.1Low149 Ų149105.1 Ų105.180%0.79753%0.533SS*.  trans-70.576.3166.6-77.3-10.5000108.8F429 N433F429-N431 PolarHBondContact O-N 3.39Å; N431-N433 PolarHBondContact O-N 3.21Å
432V52.8Low59Low28 Ų28111.9 Ų111.917%0.1756%0.563CS.*  trans-63.5122.9162.8175.90000106.1L430 I434 K477 E480L430-V432 HydrophobicContact CB-CG2 4.42Å; L430-V432 PolarHBondContact O-N 2.89Å; V432-I434 WeakPolarHBondContact O-CG1 3.28Å; V432-I434 PolarHBondContact O-N 3.37Å; V432-K477 HydrophobicContact CG2-CG 3.77Å; V432-E480 VanDerWaalsContact CG1-CD 3.45Å; V432-E480 WeakPolarHBondContact CG1-OE1 3.41Å; V432-E480 WeakPolarHBondContact CG1-OE2 3.49Å; V432-E480 WeakPolarHBondContact CG2-OE2 3.26Å
433N45.1Very low56.7Low134 Ų134113.6 Ų113.672%0.71757%0.569SS**  trans-63.694164.4-73.4-40.9000106.3N431 T435N431-N433 PolarHBondContact O-N 3.21Å; N433-T435 PolarHBondContact O-N 2.84Å
434I46Very low54.3Low106 Ų106114.7 Ų114.754%0.54458%0.575SS.*  trans-69.171.9171.9-51.8173.1000106.7V432 I438V432-I434 WeakPolarHBondContact O-CG1 3.28Å; V432-I434 PolarHBondContact O-N 3.37Å; I434-I438 HydrophobicContact CG2-CD1 3.31Å; I434-I438 HydrophobicContact CG2-CG1 3.7Å
435T43Very low52Low100 Ų100120.1 Ų120.161%0.61361%0.607SS**  trans-128.76.7176.755.10000111.8N433N433-T435 PolarHBondContact O-N 2.84Å
436K42.3Very low49.7Very low203 Ų203125 Ų12588%0.88363%0.627SS**SBendtrans-131.79.7179.3-65.8-171.9179.1177.40116.4
437G39.9Very low47.9Very low60 Ų60124.9 Ų124.962%0.61963%0.632SS**SBendtrans-123.6-14.7179.400000116.9
438I45.4Very low46.1Very low101 Ų101133.8 Ų133.852%0.51867%0.67SS.*SBendtrans-90.6-15.2-171.4-66.3-176.4000113.1I434 H440I434-I438 HydrophobicContact CG2-CD1 3.31Å; I434-I438 HydrophobicContact CG2-CG1 3.7Å; I438-H440 PolarHBondContact O-N 2.78Å
439E41.4Very low44.4Very low172 Ų172138.5 Ų138.580%0.80469%0.69SS**THydrogen-bonded Turntrans-76.410.7-174.3-65.2-170.3164.900115.8
440H39.7Very low42.8Very low169 Ų169138.9 Ų138.978%0.78270%0.698SS**THydrogen-bonded Turntrans-119.98.9-178.1-81.3-15.2000117.2I438I438-H440 PolarHBondContact O-N 2.78Å
441F36.9Very low41.6Very low201 Ų201146.1 Ų146.188%0.88273%0.731SS**THydrogen-bonded Turntrans-131.5-2169-90.2-87.1000116.4K443F441-K443 PolarHBondContact O-N 3.18Å
442H41.9Very low40.6Very low171 Ų171147 Ų14779%0.79274%0.735SS**  trans-93.571.9165.6-71.9-72.3000111.1
443K37.4Very low39.9Very low152 Ų152154 Ų15466%0.66177%0.769SS**  trans-128.5116.9153.2-85.8-171.6175.3-174.70106.6K121 F441K121-K443 VanDerWaalsContact CE-O 3.23Å; K121-K443 WeakPolarHBondContact CE-O 3.48Å; K121-K443 PolarHBondContact NZ-O 3.46Å; F441-K443 PolarHBondContact O-N 3.18Å
444D34.9Very low39.1Very low100 Ų100150.5 Ų150.554%0.53577%0.765SS.*SBendtrans100.770.4175.5-53.824.6000113.7K121K121-D444 HydrophobicContact CD-CB 4.28Å; K121-D444 WeakPolarHBondContact CD-OD2 3.47Å; K121-D444 VanDerWaalsContact CE-CG 3.42Å; K121-D444 WeakPolarHBondContact CE-OD2 3.37Å; K121-D444 IonicContact NZ-OD1 2.93Å; K121-D444 PolarHBondContact NZ-OD1 3.33Å; K121-D444 IonicContact NZ-OD2 2.71Å; K121-D444 PolarHBondContact NZ-OD2 3.16Å
445N37Very low38.4Very low157 Ų157152.3 Ų152.384%0.8478%0.781SS**  trans-152.599.5132-90.7-27.8000107.6I447N445-I447 VanDerWaalsContact C-N 3.34Å; N445-I447 PolarHBondContact O-N 3.14Å
446E36.1Very low37.6Very low200 Ų200151.3 Ų151.394%0.93579%0.79SS**  trans-61.796.3160.3-77.2179140.400108.4
447I44.6Very low36.9Very low144 Ų144144.3 Ų144.374%0.73878%0.776SS**  trans-133.493.8156.5-57.1-179.3000106.9N445N445-I447 VanDerWaalsContact C-N 3.34Å; N445-I447 PolarHBondContact O-N 3.14Å
448K42.1Very low36.5Very low198 Ų198151.2 Ų151.286%0.86179%0.792SS**  trans25.2103.7146-63.9177.8179.7176.60115.7D450K448-D450 PolarHBondContact O-N 2.93Å; K448-D450 VanDerWaalsContact O-N 3.09Å
449D36.6Very low36Very low168 Ų168154.2 Ų154.290%0.89880%0.804SS**  trans-56.9101.5155.4-57.4-46.9000109.7
450D36.3Very low35.7Very low155 Ų155151.9 Ų151.983%0.82980%0.797SS**  trans-168.771.5150.3-127.71.9000109.9K448K448-D450 PolarHBondContact O-N 2.93Å; K448-D450 VanDerWaalsContact O-N 3.09Å
451E37.9Very low35.7Very low200 Ų200150 Ų15094%0.93579%0.791SS**  trans-169.466.3155.4-110.6169-16700110
452L34.9Very low35.8Very low167 Ų167144.8 Ų144.887%0.87478%0.776SS**  trans-100.187.2160.7-169.385.1000107.6
453I38.3Very low35.9Very low175 Ų175143 Ų14390%0.89777%0.772SS**  trans-156.7118.8150.9-82124.8000107.8
454G28.6Very low36.5Very low61 Ų61139.7 Ų139.763%0.62976%0.762SS**  trans112120137.800000116.7
455V31.1Very low37.7Very low145 Ų145139.6 Ų139.688%0.87977%0.769SS**  trans78.890.9151.4-159.90000112.7
456G25.6Very low39.2Very low78 Ų78136.3 Ų136.380%0.80475%0.752SS**  67.879.270.300000109.5
457G28.6Very low41Very low57 Ų57129 Ų12959%0.58872%0.719SS**  trans-177.4103.9-179.900000112.6Q459G457-Q459 VanDerWaalsContact C-N 3.27Å; G457-Q459 PolarHBondContact O-N 3.41Å
458E31.5Very low42.7Very low204 Ų204126.3 Ų126.395%0.95371%0.71SS**  trans-51.495.3152.8-65.5168.7154.300108.2
459Q35.2Very low44.4Very low164 Ų164122 Ų12277%0.76669%0.693SS**  trans-131.996.5172.9-72.1-167.8-0.400108.9G457G457-Q459 VanDerWaalsContact C-N 3.27Å; G457-Q459 PolarHBondContact O-N 3.41Å
460N34.5Very low46.4Very low124 Ų124114.8 Ų114.866%0.66365%0.654SS**  52.780.5128-65.2-27.6000116T462N460-T462 HydrophobicContact CB-CG2 3.85Å; N460-T462 PolarHBondContact O-N 3.33Å
461I39.5Very low48.7Very low129 Ų129110.8 Ų110.866%0.66263%0.633SS**  trans-71.471.5144.7-54.3173.8000106.3
462T38.4Very low50.8Low91 Ų91108 Ų10856%0.55862%0.617SS**  trans-109.926.517457.20000111.2N460 N464N460-T462 HydrophobicContact CB-CG2 3.85Å; N460-T462 PolarHBondContact O-N 3.33Å; T462-N464 PolarHBondContact O-N 2.95Å
463D44.6Very low53.1Low133 Ų133102.4 Ų102.471%0.71159%0.588SS**  trans-9389.2164.1-81.4-4.7000108.8S465D463-S465 PolarHBondContact O-N 3.43Å
464N50.6Low55.3Low84 Ų8494.2 Ų94.245%0.44955%0.546SS..THydrogen-bonded Turntrans-47.925.3170.7-106.3-11.6000116.3K417 T462K417-N464 VanDerWaalsContact CE-O 3.28Å; K417-N464 WeakPolarHBondContact CE-O 3.24Å; K417-N464 PolarHBondContact NZ-O 3.24Å; T462-N464 PolarHBondContact O-N 2.95Å
465S59.7Low58Low97 Ų9795.6 Ų95.668%0.67854%0.539SS*.THydrogen-bonded Turntrans-113.8-20.5-165.6-70.70000115.1D463D463-S465 PolarHBondContact O-N 3.43Å
466N69Low60.5Low89 Ų8993.2 Ų93.248%0.47652%0.521SS..  trans-110.365179.3-76.8-7000112.7E469 M470N466-E469 HydrophobicContact CB-CB 3.7Å; N466-E469 PolarHBondContact ND2-OE2 3.47Å; N466-E469 WeakPolarHBondContact O-CB 3.44Å; N466-E469 PolarHBondContact O-N 3.21Å; N466-M470 PolarHBondContact O-N 3.1Å
467I74.3Confident63.2Low47 Ų4790.4 Ų90.424%0.24149%0.487CS..Hα-helixtrans-46.7-42.5170-59.1172.2000112.2K417 V420 E469 M470 L471K417-I467 HydrophobicContact CB-CD1 4.04Å; K417-I467 HydrophobicContact CD-CD1 4.22Å; K417-I467 HydrophobicContact CG-CD1 4.03Å; K417-I467 HydrophobicContact CG-CG1 4.35Å; V420-I467 HydrophobicContact CB-CG2 4.45Å; V420-I467 HydrophobicContact CG1-CG2 4.26Å; V420-I467 HydrophobicContact CG2-CG2 4.18Å; I467-E469 VanDerWaalsContact C-N 3.33Å; I467-E469 PolarHBondContact O-N 3.48Å; I467-M470 PolarHBondContact O-N 3.06Å; I467-L471 HydrophobicContact CG2-CD1 4.09Å; I467-L471 WeakPolarHBondContact O-CB 3.27Å; I467-L471 WeakPolarHBondContact O-CG 3.44Å; I467-L471 PolarHBondContact O-N 3.14Å
468P79.3Confident65.8Low86 Ų8691.1 Ų91.156%0.55848%0.477SS*.Hα-helixtrans-66.6-31.5178.6-20.533.9000113.8K472P468-K472 WeakPolarHBondContact O-CG 3.41Å; P468-K472 PolarHBondContact O-N 3.27Å
469E77.8Confident68.3Low107 Ų10785.7 Ų85.750%0.545%0.454SS..Hα-helixtrans-76.3-42.7178.5-167.7169.6-16500110.7N466 I467 L471 K472 I473N466-E469 HydrophobicContact CB-CB 3.7Å; N466-E469 PolarHBondContact ND2-OE2 3.47Å; N466-E469 WeakPolarHBondContact O-CB 3.44Å; N466-E469 PolarHBondContact O-N 3.21Å; I467-E469 VanDerWaalsContact C-N 3.33Å; I467-E469 PolarHBondContact O-N 3.48Å; E469-L471 VanDerWaalsContact C-N 3.3Å; E469-L471 PolarHBondContact O-N 3.43Å; E469-K472 WeakPolarHBondContact O-CB 3.47Å; E469-K472 PolarHBondContact O-N 3.29Å; E469-K472 VanDerWaalsContact O-N 3.13Å; E469-I473 HydrophobicContact CG-CD1 4.41Å; E469-I473 WeakPolarHBondContact O-CG1 3.37Å; E469-I473 PolarHBondContact O-N 2.99Å
470M79.3Confident70.4Confident17 Ų1782.3 Ų82.38%0.08444%0.438CS..Hα-helixtrans-56.7-44.5169.8-71.4-179.5168.700111.2V420 Y424 N466 I467 K472 I473 C474V420-M470 HydrophobicContact CG1-CB 3.96Å; Y424-M470 HydrophobicContact CD2-CB 4.25Å; Y424-M470 HydrophobicContact CD2-CG 4.26Å; N466-M470 PolarHBondContact O-N 3.1Å; I467-M470 PolarHBondContact O-N 3.06Å; M470-K472 PolarHBondContact O-N 3.17Å; M470-I473 PolarHBondContact O-N 3.33Å; M470-C474 WeakPolarHBondContact O-CB 3.27Å; M470-C474 PolarHBondContact O-N 3.45Å; M470-C474 PolarHBondContact O-SG 2.87Å
471L83.1Confident72.6Confident72 Ų7279.1 Ų79.138%0.37742%0.421SS..Hα-helixtrans-62.3-39.7174.9-82.5170.8000113V420 I467 E469 C474 N475V420-L471 HydrophobicContact CG1-CD2 4.29Å; V420-L471 HydrophobicContact CG1-CG 4.06Å; V420-L471 HydrophobicContact CG2-CD1 4.35Å; V420-L471 HydrophobicContact CG2-CD2 3.8Å; V420-L471 HydrophobicContact CG2-CG 4Å; I467-L471 HydrophobicContact CG2-CD1 4.09Å; I467-L471 WeakPolarHBondContact O-CB 3.27Å; I467-L471 WeakPolarHBondContact O-CG 3.44Å; I467-L471 PolarHBondContact O-N 3.14Å; E469-L471 VanDerWaalsContact C-N 3.3Å; E469-L471 PolarHBondContact O-N 3.43Å; L471-C474 PolarHBondContact O-N 3.26Å; L471-N475 WeakPolarHBondContact O-CB 3.27Å; L471-N475 PolarHBondContact O-N 3.28Å
472K83.9Confident74.6Confident142 Ų14278.6 Ų78.662%0.61742%0.417SS*.Hα-helixtrans-63.7-44174.4-77.2173.6-176.1177.60111.7P468 E469 M470 C474 N475 N476P468-K472 WeakPolarHBondContact O-CG 3.41Å; P468-K472 PolarHBondContact O-N 3.27Å; E469-K472 WeakPolarHBondContact O-CB 3.47Å; E469-K472 PolarHBondContact O-N 3.29Å; E469-K472 VanDerWaalsContact O-N 3.13Å; M470-K472 PolarHBondContact O-N 3.17Å; K472-C474 VanDerWaalsContact C-N 3.34Å; K472-N475 PolarHBondContact O-N 3.43Å; K472-N476 VanDerWaalsContact O-CG 3.27Å; K472-N476 PolarHBondContact O-N 2.83Å; K472-N476 PolarHBondContact O-ND2 3.44Å
473I82.6Confident76.6Confident49 Ų4979.1 Ų79.125%0.25142%0.417SS..Hα-helixtrans-62.4-45.3176.2-64.2163.8000109.6Y424 E469 M470 N475 N476 K477Y424-I473 HydrophobicContact CD2-CG2 4.42Å; Y424-I473 HydrophobicContact CE2-CB 4.24Å; Y424-I473 HydrophobicContact CE2-CD1 4.11Å; Y424-I473 HydrophobicContact CE2-CG2 3.88Å; E469-I473 HydrophobicContact CG-CD1 4.41Å; E469-I473 WeakPolarHBondContact O-CG1 3.37Å; E469-I473 PolarHBondContact O-N 2.99Å; M470-I473 PolarHBondContact O-N 3.33Å; I473-N475 PolarHBondContact O-N 2.88Å; I473-N476 PolarHBondContact O-N 2.87Å; I473-K477 HydrophobicContact CG2-CD 4.06Å; I473-K477 HydrophobicContact CG2-CG 4.32Å; I473-K477 WeakPolarHBondContact O-CB 3.38Å; I473-K477 VanDerWaalsContact O-CG 3.28Å; I473-K477 WeakPolarHBondContact O-CG 3.23Å; I473-K477 PolarHBondContact O-N 3.34Å
474C84.2Confident78.2Confident3 Ų376.4 Ų76.42%0.0241%0.408CS..Hα-helixtrans-59.9-45.3176.5-67.10000111.8I423 Y424 L427 M470 L471 K472 K477 L478I423-C474 HydrophobicContact CG2-CB 4.06Å; Y424-C474 VanDerWaalsContact CA-SG 3.6Å; L427-C474 HydrophobicContact CD1-CB 3.78Å; M470-C474 WeakPolarHBondContact O-CB 3.27Å; M470-C474 PolarHBondContact O-N 3.45Å; M470-C474 PolarHBondContact O-SG 2.87Å; L471-C474 PolarHBondContact O-N 3.26Å; K472-C474 VanDerWaalsContact C-N 3.34Å; C474-K477 PolarHBondContact O-N 2.82Å; C474-L478 WeakPolarHBondContact O-CB 3.36Å; C474-L478 VanDerWaalsContact O-CG 3.26Å; C474-L478 WeakPolarHBondContact O-CG 3.4Å; C474-L478 PolarHBondContact O-N 2.86Å
475N85.3Confident79.4Confident90 Ų9075.2 Ų75.248%0.48140%0.401SS..Hα-helixtrans-61.3-47.1176.6-80-15.1000111.7L471 K472 I473 K477 L478 D479L471-N475 WeakPolarHBondContact O-CB 3.27Å; L471-N475 PolarHBondContact O-N 3.28Å; K472-N475 PolarHBondContact O-N 3.43Å; I473-N475 PolarHBondContact O-N 2.88Å; N475-K477 VanDerWaalsContact C-N 3.34Å; N475-K477 PolarHBondContact O-N 2.93Å; N475-L478 PolarHBondContact O-N 3.48Å; N475-D479 WeakPolarHBondContact O-CB 3.19Å; N475-D479 VanDerWaalsContact O-CG 3.29Å; N475-D479 PolarHBondContact O-N 2.96Å
476N83.5Confident80Confident94 Ų9476.1 Ų76.150%0.50340%0.399SS..Hα-helixtrans-61.3-42.9177.8-68.4-16.4000111.8K472 I473 L478 D479 E480K472-N476 VanDerWaalsContact O-CG 3.27Å; K472-N476 PolarHBondContact O-N 2.83Å; K472-N476 PolarHBondContact O-ND2 3.44Å; I473-N476 PolarHBondContact O-N 2.87Å; N476-L478 VanDerWaalsContact C-N 3.35Å; N476-D479 PolarHBondContact O-N 3.48Å; N476-E480 PolarHBondContact O-N 2.91Å
477K81.5Confident80Confident20 Ų2079.5 Ų79.59%0.08742%0.417CS..Hα-helixtrans-64.4-39176.3-72.9-174.2174.5-169.90112L427 L430 V432 I473 C474 N475 L481L427-K477 HydrophobicContact CB-CB 4.3Å; L427-K477 HydrophobicContact CB-CD 3.71Å; L427-K477 HydrophobicContact CD1-CB 4.25Å; L427-K477 VanDerWaalsContact O-CD 3.32Å; L427-K477 WeakPolarHBondContact O-CD 3.25Å; L427-K477 PolarHBondContact O-NZ 2.86Å; L430-K477 HydrophobicContact CD1-CB 4.37Å; V432-K477 HydrophobicContact CG2-CG 3.77Å; I473-K477 HydrophobicContact CG2-CD 4.06Å; I473-K477 HydrophobicContact CG2-CG 4.32Å; I473-K477 WeakPolarHBondContact O-CB 3.38Å; I473-K477 VanDerWaalsContact O-CG 3.28Å; I473-K477 WeakPolarHBondContact O-CG 3.23Å; I473-K477 PolarHBondContact O-N 3.34Å; C474-K477 PolarHBondContact O-N 2.82Å; N475-K477 VanDerWaalsContact C-N 3.34Å; N475-K477 PolarHBondContact O-N 2.93Å; K477-L481 WeakPolarHBondContact O-CB 3.36Å; K477-L481 PolarHBondContact O-N 2.9Å
478L83.5Confident79.7Confident71 Ų7179.8 Ų79.837%0.37242%0.42SS..Hα-helixtrans-68.2-40.4175.3-77.4169.2000111.9L427 C474 N475 N476 L481 M482L427-L478 HydrophobicContact CD1-CD1 4.4Å; L427-L478 HydrophobicContact CD1-CD2 4.39Å; L427-L478 HydrophobicContact CD1-CG 3.93Å; L427-L478 HydrophobicContact CD2-CD2 4.13Å; L427-L478 HydrophobicContact CD2-CG 4.42Å; C474-L478 WeakPolarHBondContact O-CB 3.36Å; C474-L478 VanDerWaalsContact O-CG 3.26Å; C474-L478 WeakPolarHBondContact O-CG 3.4Å; C474-L478 PolarHBondContact O-N 2.86Å; N475-L478 PolarHBondContact O-N 3.48Å; N476-L478 VanDerWaalsContact C-N 3.35Å; L478-L481 PolarHBondContact O-N 2.98Å; L478-M482 VanDerWaalsContact O-CB 3.31Å; L478-M482 WeakPolarHBondContact O-CB 3.48Å; L478-M482 PolarHBondContact O-N 2.92Å
479D84.1Confident79.2Confident90 Ų9080.4 Ų80.448%0.48142%0.419SS..Hα-helixtrans-64.1-41.8176.4-73.9-21.6000110.8N475 N476 M482 N483N475-D479 WeakPolarHBondContact O-CB 3.19Å; N475-D479 VanDerWaalsContact O-CG 3.29Å; N475-D479 PolarHBondContact O-N 2.96Å; N476-D479 PolarHBondContact O-N 3.48Å; D479-M482 PolarHBondContact O-N 3.4Å; D479-N483 WeakPolarHBondContact O-CB 3.43Å; D479-N483 PolarHBondContact O-N 3.4Å; D479-N483 PolarHBondContact O-ND2 2.89Å; D479-N483 VanDerWaalsContact O-ND2 3.11Å
480E79.7Confident78.7Confident93 Ų9379.6 Ų79.644%0.43542%0.417SS..Hα-helixtrans-64.9-41.7172.8-76.6-171.3-167.900112.5V432 N476 M482 N483 S484V432-E480 VanDerWaalsContact CG1-CD 3.45Å; V432-E480 WeakPolarHBondContact CG1-OE1 3.41Å; V432-E480 WeakPolarHBondContact CG1-OE2 3.49Å; V432-E480 WeakPolarHBondContact CG2-OE2 3.26Å; N476-E480 PolarHBondContact O-N 2.91Å; E480-M482 VanDerWaalsContact C-N 3.32Å; E480-M482 PolarHBondContact O-N 2.8Å; E480-N483 PolarHBondContact O-N 3.38Å; E480-S484 WeakPolarHBondContact O-CB 3.26Å; E480-S484 PolarHBondContact O-N 3.39Å
481L80.8Confident78.3Confident58 Ų5885.7 Ų85.730%0.30445%0.446SS..Hα-helixtrans-62.4-42.8175.5-167145.6000110.7L430 K477 L478 S484 L485L430-L481 HydrophobicContact CD1-CB 4.26Å; L430-L481 HydrophobicContact CD1-CD1 3.57Å; L430-L481 HydrophobicContact CD1-CG 4.49Å; L430-L481 HydrophobicContact CD2-CD1 4.25Å; L430-L481 HydrophobicContact CG-CD1 4.45Å; K477-L481 WeakPolarHBondContact O-CB 3.36Å; K477-L481 PolarHBondContact O-N 2.9Å; L478-L481 PolarHBondContact O-N 2.98Å; L481-S484 WeakPolarHBondContact CA-OG 3.38Å; L481-S484 PolarHBondContact O-N 3.32Å; L481-S484 PolarHBondContact O-OG 2.78Å; L481-L485 WeakPolarHBondContact O-CB 3.17Å; L481-L485 PolarHBondContact O-N 3.14Å
482M81.3Confident77.8Confident117 Ų11788.3 Ų88.358%0.57646%0.456SS*.Hα-helixtrans-64.8-40176.6-160.6171.1-6700111.5L478 D479 E480 L485 N486L478-M482 VanDerWaalsContact O-CB 3.31Å; L478-M482 WeakPolarHBondContact O-CB 3.48Å; L478-M482 PolarHBondContact O-N 2.92Å; D479-M482 PolarHBondContact O-N 3.4Å; E480-M482 VanDerWaalsContact C-N 3.32Å; E480-M482 PolarHBondContact O-N 2.8Å; M482-L485 PolarHBondContact O-N 3.37Å; M482-N486 VanDerWaalsContact O-CG 3.31Å; M482-N486 PolarHBondContact O-N 3.37Å; M482-N486 PolarHBondContact O-ND2 2.88Å; M482-N486 PolarHBondContact O-OD1 2.82Å
483N81.2Confident77Confident103 Ų10385.6 Ų85.655%0.55145%0.445SS*.Hα-helixtrans-64.1-40.8173.2-72.9-31.5000112.3D479 E480 L485 N486D479-N483 WeakPolarHBondContact O-CB 3.43Å; D479-N483 PolarHBondContact O-N 3.4Å; D479-N483 PolarHBondContact O-ND2 2.89Å; D479-N483 VanDerWaalsContact O-ND2 3.11Å; E480-N483 PolarHBondContact O-N 3.38Å; N483-L485 VanDerWaalsContact C-N 3.26Å; N483-L485 PolarHBondContact O-N 2.87Å; N483-N486 PolarHBondContact O-N 3.43Å
484S76.9Confident76.4Confident75 Ų7588 Ų8852%0.52446%0.458SS..Hα-helixtrans-68-27.4175.874.60000112.9E480 L481E480-S484 WeakPolarHBondContact O-CB 3.26Å; E480-S484 PolarHBondContact O-N 3.39Å; L481-S484 WeakPolarHBondContact CA-OG 3.38Å; L481-S484 PolarHBondContact O-N 3.32Å; L481-S484 PolarHBondContact O-OG 2.78Å
485L75.4Confident75.9Confident60 Ų6092.7 Ų92.731%0.31448%0.483SS..Hα-helixtrans-82.2-21.5179.1-154.875.5000112.2L481 M482 N483 D487 V488 I490L481-L485 WeakPolarHBondContact O-CB 3.17Å; L481-L485 PolarHBondContact O-N 3.14Å; M482-L485 PolarHBondContact O-N 3.37Å; N483-L485 VanDerWaalsContact C-N 3.26Å; N483-L485 PolarHBondContact O-N 2.87Å; L485-D487 PolarHBondContact O-N 3.46Å; L485-V488 PolarHBondContact O-N 2.84Å; L485-V488 VanDerWaalsContact O-O 3.09Å; L485-I490 HydrophobicContact CD2-CD1 3.75Å; L485-I490 HydrophobicContact CD2-CG1 3.99Å; L485-I490 HydrophobicContact CG-CD1 4.25Å; L485-I490 HydrophobicContact CG-CG1 4.08Å
486N73.3Confident75Confident116 Ų11692.6 Ų92.662%0.6248%0.482SS*.THydrogen-bonded Turntrans-60.8-29.2178.5-75.8-27.6000113.2M482 N483 V488M482-N486 VanDerWaalsContact O-CG 3.31Å; M482-N486 PolarHBondContact O-N 3.37Å; M482-N486 PolarHBondContact O-ND2 2.88Å; M482-N486 PolarHBondContact O-OD1 2.82Å; N483-N486 PolarHBondContact O-N 3.43Å; N486-V488 VanDerWaalsContact C-N 3.31Å
487D69.6Low74Confident159 Ų15991.4 Ų91.485%0.8548%0.475SS*.THydrogen-bonded Turntrans-85.6-4.7176.8-74.1-20.7000113L485L485-D487 PolarHBondContact O-N 3.46Å
488V66.5Low73.3Confident53 Ų5397.8 Ų97.832%0.32151%0.505SS..SBendtrans-112.3125.7-174.9-164.90000111.4L485 N486 I490 Q493L485-V488 PolarHBondContact O-N 2.84Å; L485-V488 VanDerWaalsContact O-O 3.09Å; N486-V488 VanDerWaalsContact C-N 3.31Å; V488-I490 PolarHBondContact O-N 3.21Å; V488-Q493 HydrophobicContact CG1-CG 3.59Å; V488-Q493 VanDerWaalsContact CG1-NE2 3.32Å; V488-Q493 VanDerWaalsContact CG1-OE1 3.23Å
489N70Confident72.4Confident100 Ų10099.1 Ų99.154%0.53551%0.51SS..  trans-70.597.8177.5-155-1.8000109.5E491 E492 Q493N489-E491 PolarHBondContact O-N 3.48Å; N489-E492 HydrophobicContact CB-CB 4.18Å; N489-E492 WeakPolarHBondContact O-CB 3.31Å; N489-E492 PolarHBondContact O-N 2.83Å; N489-Q493 PolarHBondContact O-N 3.41Å
490I66.8Low71.3Confident89 Ų89102 Ų10246%0.45652%0.52SS..Hα-helixtrans-54.2-37.9-172.4-61.2171.4000111.5L485 V488 E492 Q493 L494L485-I490 HydrophobicContact CD2-CD1 3.75Å; L485-I490 HydrophobicContact CD2-CG1 3.99Å; L485-I490 HydrophobicContact CG-CD1 4.25Å; L485-I490 HydrophobicContact CG-CG1 4.08Å; V488-I490 PolarHBondContact O-N 3.21Å; I490-E492 PolarHBondContact O-N 2.77Å; I490-Q493 PolarHBondContact O-N 2.8Å; I490-L494 HydrophobicContact CG2-CD1 3.8Å; I490-L494 HydrophobicContact CG2-CG 4.25Å; I490-L494 WeakPolarHBondContact O-CB 3.19Å; I490-L494 VanDerWaalsContact O-CG 3.27Å; I490-L494 WeakPolarHBondContact O-CG 3.15Å; I490-L494 PolarHBondContact O-N 2.82Å
491E72.1Confident70.4Confident146 Ų146104 Ų10468%0.68253%0.529SS*.Hα-helixtrans-65.3-36.8178.1-74.9180164.400112.7N489 N495N489-E491 PolarHBondContact O-N 3.48Å; E491-N495 WeakPolarHBondContact O-CB 3.08Å; E491-N495 VanDerWaalsContact O-CG 3.28Å; E491-N495 PolarHBondContact O-N 3.15Å; E491-N495 PolarHBondContact O-ND2 3.36Å
492E71.2Confident69.4Low127 Ų127105.2 Ų105.259%0.59353%0.532SS*.Hα-helixtrans-72.7-38.3179.9-157172.3-164.800110.9N489 I490 N495 L496N489-E492 HydrophobicContact CB-CB 4.18Å; N489-E492 WeakPolarHBondContact O-CB 3.31Å; N489-E492 PolarHBondContact O-N 2.83Å; I490-E492 PolarHBondContact O-N 2.77Å; E492-N495 PolarHBondContact O-N 3.27Å; E492-L496 PolarHBondContact O-N 2.79Å
493Q67.2Low68.5Low84 Ų84105.7 Ų105.739%0.39353%0.529SS..Hα-helixtrans-68.5-39.5172.6-80.7-169.9-33.900113.1V488 N489 I490 N495 L496 I497V488-Q493 HydrophobicContact CG1-CG 3.59Å; V488-Q493 VanDerWaalsContact CG1-NE2 3.32Å; V488-Q493 VanDerWaalsContact CG1-OE1 3.23Å; N489-Q493 PolarHBondContact O-N 3.41Å; I490-Q493 PolarHBondContact O-N 2.8Å; Q493-N495 VanDerWaalsContact C-N 3.3Å; Q493-N495 PolarHBondContact O-N 2.93Å; Q493-L496 WeakPolarHBondContact O-CB 3.39Å; Q493-L496 PolarHBondContact O-N 2.96Å; Q493-I497 WeakPolarHBondContact O-CD1 3.08Å; Q493-I497 VanDerWaalsContact O-CG1 3.23Å; Q493-I497 WeakPolarHBondContact O-CG1 3.35Å; Q493-I497 PolarHBondContact O-N 3.45Å
494L70.2Confident67.7Low101 Ų101108 Ų10853%0.52953%0.534SS..Hα-helixtrans-61.5-41.1174.6-76.9169.5000111.1I490 L496 I497 E498I490-L494 HydrophobicContact CG2-CD1 3.8Å; I490-L494 HydrophobicContact CG2-CG 4.25Å; I490-L494 WeakPolarHBondContact O-CB 3.19Å; I490-L494 VanDerWaalsContact O-CG 3.27Å; I490-L494 WeakPolarHBondContact O-CG 3.15Å; I490-L494 PolarHBondContact O-N 2.82Å; L494-L496 VanDerWaalsContact C-N 3.34Å; L494-L496 PolarHBondContact O-N 3.21Å; L494-I497 PolarHBondContact O-N 2.9Å; L494-E498 PolarHBondContact O-N 2.86Å
495N73.5Confident67.2Low101 Ų101111.6 Ų111.654%0.5454%0.54SS..Hα-helixtrans-64.9-35.3173.9-73.5-19.6000112.7E491 E492 Q493 E498 Q499E491-N495 WeakPolarHBondContact O-CB 3.08Å; E491-N495 VanDerWaalsContact O-CG 3.28Å; E491-N495 PolarHBondContact O-N 3.15Å; E491-N495 PolarHBondContact O-ND2 3.36Å; E492-N495 PolarHBondContact O-N 3.27Å; Q493-N495 VanDerWaalsContact C-N 3.3Å; Q493-N495 PolarHBondContact O-N 2.93Å; N495-E498 PolarHBondContact O-N 3.41Å; N495-Q499 PolarHBondContact O-N 2.81Å
496L67Low66.5Low88 Ų88112.3 Ų112.346%0.46154%0.544SS..Hα-helixtrans-69.6-32.8173.2-93.9147.8000112.8E492 Q493 L494 E498 Q499 F502E492-L496 PolarHBondContact O-N 2.79Å; Q493-L496 WeakPolarHBondContact O-CB 3.39Å; Q493-L496 PolarHBondContact O-N 2.96Å; L494-L496 VanDerWaalsContact C-N 3.34Å; L494-L496 PolarHBondContact O-N 3.21Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-Q499 WeakPolarHBondContact O-CB 3.33Å; L496-Q499 PolarHBondContact O-N 3Å; L496-F502 WeakPolarHBondContact O-CB 3.25Å
497I63Low66.1Low68 Ų68111.7 Ų111.735%0.34954%0.541SS..Hα-helixtrans-71.2-30.6175.8-68.4162.3000110.9Q493 L494 Q499 F502Q493-I497 WeakPolarHBondContact O-CD1 3.08Å; Q493-I497 VanDerWaalsContact O-CG1 3.23Å; Q493-I497 WeakPolarHBondContact O-CG1 3.35Å; Q493-I497 PolarHBondContact O-N 3.45Å; L494-I497 PolarHBondContact O-N 2.9Å; I497-Q499 VanDerWaalsContact C-N 3.28Å; I497-Q499 PolarHBondContact O-N 3.33Å; I497-F502 HydrophobicContact CB-CD1 4.43Å; I497-F502 HydrophobicContact CG1-CD1 4.21Å; I497-F502 HydrophobicContact CG1-CE1 4.01Å; I497-F502 HydrophobicContact CG1-CE2 4.45Å; I497-F502 HydrophobicContact CG1-CZ 4.14Å; I497-F502 HydrophobicContact CG2-CD1 4.27Å; I497-F502 HydrophobicContact CG2-CE1 4.43Å
498E67Low65.9Low154 Ų154108.7 Ų108.772%0.7253%0.532SS*.Hα-helixtrans-70.9-20.4172.2-79.1-169.4162.300113.5L494 N495 L496 E500L494-E498 PolarHBondContact O-N 2.86Å; N495-E498 PolarHBondContact O-N 3.41Å; L496-E498 VanDerWaalsContact C-N 3.33Å; E498-E500 PolarHBondContact O-N 2.83Å
499Q63.7Low65.7Low100 Ų100114.6 Ų114.647%0.46755%0.553SS.*SBendtrans-69.4127.8176-68176.25.900110.5N495 L496 I497 E501 F502N495-Q499 PolarHBondContact O-N 2.81Å; L496-Q499 WeakPolarHBondContact O-CB 3.33Å; L496-Q499 PolarHBondContact O-N 3Å; I497-Q499 VanDerWaalsContact C-N 3.28Å; I497-Q499 PolarHBondContact O-N 3.33Å; Q499-E501 PolarHBondContact O-N 3.04Å; Q499-F502 WeakPolarHBondContact O-CB 3.26Å; Q499-F502 PolarHBondContact O-N 2.8Å
500E60.1Low65.3Low150 Ų150112.9 Ų112.970%0.70154%0.544SS*.Hα-helixtrans-52.8-23.4179.4-79.4-170.4147.400113.8E498 F502 Y503 K504E498-E500 PolarHBondContact O-N 2.83Å; E500-F502 VanDerWaalsContact C-N 3.28Å; E500-F502 PolarHBondContact O-N 2.85Å; E500-Y503 PolarHBondContact O-N 3.48Å; E500-K504 PolarHBondContact O-N 3.29Å
501E62.2Low65.1Low135 Ų135113.2 Ų113.263%0.63155%0.552SS**Hα-helixtrans-66.8-27.1176.3-61.5-166.5171.300113.4Q499 K504 K505Q499-E501 PolarHBondContact O-N 3.04Å; E501-K504 PolarHBondContact O-N 3.26Å; E501-K505 PolarHBondContact O-N 2.91Å; E501-K505 VanDerWaalsContact O-N 3.14Å
502F59.3Low64.7Low84 Ų84115.9 Ų115.937%0.36856%0.564SS.*Hα-helixtrans-69.1-40.9176-166.7-97.8000111.3L496 I497 Q499 E500 K504 K505 L506L496-F502 WeakPolarHBondContact O-CB 3.25Å; I497-F502 HydrophobicContact CB-CD1 4.43Å; I497-F502 HydrophobicContact CG1-CD1 4.21Å; I497-F502 HydrophobicContact CG1-CE1 4.01Å; I497-F502 HydrophobicContact CG1-CE2 4.45Å; I497-F502 HydrophobicContact CG1-CZ 4.14Å; I497-F502 HydrophobicContact CG2-CD1 4.27Å; I497-F502 HydrophobicContact CG2-CE1 4.43Å; Q499-F502 WeakPolarHBondContact O-CB 3.26Å; Q499-F502 PolarHBondContact O-N 2.8Å; E500-F502 VanDerWaalsContact C-N 3.28Å; E500-F502 PolarHBondContact O-N 2.85Å; F502-K504 VanDerWaalsContact C-N 3.34Å; F502-K504 PolarHBondContact O-N 3.43Å; F502-K505 PolarHBondContact O-N 2.81Å; F502-L506 HydrophobicContact CD1-CD1 4.31Å; F502-L506 HydrophobicContact CE1-CD1 3.63Å; F502-L506 HydrophobicContact CZ-CD1 4.05Å; F502-L506 PolarHBondContact O-N 2.76Å
503Y61.5Low64.4Low126 Ų126116.8 Ų116.849%0.49457%0.573SS.*Hα-helixtrans-62-40.5175.2-71.3-78.2000112.1E500 K505 L506 D507E500-Y503 PolarHBondContact O-N 3.48Å; Y503-K505 PolarHBondContact O-N 3.35Å; Y503-L506 PolarHBondContact O-N 2.84Å; Y503-D507 PolarHBondContact O-N 3.08Å
504K65.9Low64.3Low153 Ų153116.2 Ų116.267%0.66557%0.573SS**Hα-helixtrans-64.6-37.4175.9-70.7-179.8-178.4171.90112.9E500 E501 F502E500-K504 PolarHBondContact O-N 3.29Å; E501-K504 PolarHBondContact O-N 3.26Å; F502-K504 VanDerWaalsContact C-N 3.34Å; F502-K504 PolarHBondContact O-N 3.43Å
505K64.6Low63.9Low149 Ų149118.9 Ų118.965%0.64859%0.586SS**Hα-helixtrans-71.1-36.5174.2-80178.9-179.3168.80112.1E501 F502 Y503 S508E501-K505 PolarHBondContact O-N 2.91Å; E501-K505 VanDerWaalsContact O-N 3.14Å; F502-K505 PolarHBondContact O-N 2.81Å; Y503-K505 PolarHBondContact O-N 3.35Å; K505-S508 PolarHBondContact O-N 3.25Å; K505-S508 PolarHBondContact O-OG 2.82Å
506L61.3Low63.3Low75 Ų75121.5 Ų121.539%0.39359%0.588SS.*Hα-helixtrans-64.1-46177.5-141.593.7000110.5F502 Y503 S508 K509 L510F502-L506 HydrophobicContact CD1-CD1 4.31Å; F502-L506 HydrophobicContact CE1-CD1 3.63Å; F502-L506 HydrophobicContact CZ-CD1 4.05Å; F502-L506 PolarHBondContact O-N 2.76Å; Y503-L506 PolarHBondContact O-N 2.84Å; L506-S508 PolarHBondContact O-N 2.8Å; L506-S508 VanDerWaalsContact O-N 3.07Å; L506-K509 PolarHBondContact O-N 3.38Å; L506-L510 WeakPolarHBondContact O-CD1 3.19Å
507D65.2Low62.9Low104 Ų104123.3 Ų123.356%0.55660%0.597SS**Hα-helixtrans-56.2-27.2179.2-79-13000113.1Y503Y503-D507 PolarHBondContact O-N 3.08Å
508S65.5Low62.5Low95 Ų95128.6 Ų128.666%0.66462%0.62SS**THydrogen-bonded Turntrans-80.7-11175.970.70000115.6K505 L506K505-S508 PolarHBondContact O-N 3.25Å; K505-S508 PolarHBondContact O-OG 2.82Å; L506-S508 PolarHBondContact O-N 2.8Å; L506-S508 VanDerWaalsContact O-N 3.07Å
509K62.7Low61.7Low178 Ų178129.6 Ų129.677%0.77462%0.623SS**THydrogen-bonded Turntrans-123.424.3-176.5-70.5-167.6177.1-173.20113.6L506L506-K509 PolarHBondContact O-N 3.38Å
510L61.3Low61.1Low64 Ų64130 Ų13034%0.33563%0.633SS.*  trans-69.9131.8175.5-91.762.8000110.8L506 N514L506-L510 WeakPolarHBondContact O-CD1 3.19Å; L510-N514 HydrophobicContact CB-CB 4.34Å; L510-N514 HydrophobicContact CD2-CB 4.09Å; L510-N514 WeakPolarHBondContact CD2-ND2 3.34Å; L510-N514 HydrophobicContact CG-CB 4.31Å; L510-N514 WeakPolarHBondContact CG-ND2 3.16Å
511P63.6Low60.6Low96 Ų96133.6 Ų133.662%0.62364%0.641SS**  trans-59.9147.9168.9-18.530.1000111.2N513 N514P511-N513 PolarHBondContact O-N 3.37Å; P511-N514 WeakPolarHBondContact O-CB 3.33Å; P511-N514 PolarHBondContact O-N 3.38Å
512E63.2Low59.7Low202 Ų202134.2 Ų134.294%0.94465%0.653SS**THydrogen-bonded Turntrans-55.4-23.1-179.8-68-177.2164.700113.4N514E512-N514 VanDerWaalsContact C-N 3.27Å; E512-N514 PolarHBondContact O-N 2.77Å
513N63.6Low59Low145 Ų145138.5 Ų138.578%0.77567%0.672SS**THydrogen-bonded Turntrans-86.214179.4-61.7-4.9000113.7P511 I515P511-N513 PolarHBondContact O-N 3.37Å; N513-I515 WeakPolarHBondContact O-CG1 3.36Å; N513-I515 PolarHBondContact O-N 2.79Å
514N66.2Low57.9Low73 Ų73139 Ų13939%0.3968%0.683SS.*  trans-75.5101.1-177.9-159-1.3000112.1L510 P511 E512 R516L510-N514 HydrophobicContact CB-CB 4.34Å; L510-N514 HydrophobicContact CD2-CB 4.09Å; L510-N514 WeakPolarHBondContact CD2-ND2 3.34Å; L510-N514 HydrophobicContact CG-CB 4.31Å; L510-N514 WeakPolarHBondContact CG-ND2 3.16Å; P511-N514 WeakPolarHBondContact O-CB 3.33Å; P511-N514 PolarHBondContact O-N 3.38Å; E512-N514 VanDerWaalsContact C-N 3.27Å; E512-N514 PolarHBondContact O-N 2.77Å; N514-R516 PolarHBondContact O-N 3.28Å; N514-R516 VanDerWaalsContact O-N 3.11Å; N514-R516 WeakPolarHBondContact OD1-CB 3.33Å; N514-R516 PolarHBondContact OD1-N 2.91Å
515I61.2Low56.7Low156 Ų156140.7 Ų140.780%0.869%0.693SS**  trans-82.931.4174.8-33.1176.9000110.9N513 I517N513-I515 WeakPolarHBondContact O-CG1 3.36Å; N513-I515 PolarHBondContact O-N 2.79Å; I515-I517 PolarHBondContact O-N 2.83Å
516R61.8Low55.5Low156 Ų156137.4 Ų137.459%0.58970%0.702SS**  trans-64.8103179.1-137.4178.8-167.5179.53.9107.8N514 Q518N514-R516 PolarHBondContact O-N 3.28Å; N514-R516 VanDerWaalsContact O-N 3.11Å; N514-R516 WeakPolarHBondContact OD1-CB 3.33Å; N514-R516 PolarHBondContact OD1-N 2.91Å; R516-Q518 PolarHBondContact O-N 3.5Å
517I57.8Low54.6Low126 Ų126141.2 Ų141.265%0.64672%0.723SS**  trans-59.8107.1171.3-57.4174.3000105.7I515 F519I515-I517 PolarHBondContact O-N 2.83Å; I517-F519 VanDerWaalsContact C-N 3.31Å; I517-F519 PolarHBondContact O-N 2.77Å
518Q55.5Low53.8Low179 Ų179140.2 Ų140.284%0.83672%0.722SS**  trans-64.999.8169.4-66.2-174.321.800105.9R516 P520R516-Q518 PolarHBondContact O-N 3.5Å; Q518-P520 WeakPolarHBondContact O-CD 3.47Å; Q518-P520 VanDerWaalsContact O-N 3.16Å
519F50.6Low52.9Low176 Ų176142.5 Ų142.577%0.77273%0.726SS**  trans-62.7115.8165.8-76.3-80.8000106.4I517 R521I517-F519 VanDerWaalsContact C-N 3.31Å; I517-F519 PolarHBondContact O-N 2.77Å; F519-R521 PolarHBondContact O-N 3.49Å
520P50.3Low52.3Low107 Ų107141.4 Ų141.470%0.69573%0.729SS**  trans-56.3121.7171.1-17.731000105.9Q518 V522Q518-P520 WeakPolarHBondContact O-CD 3.47Å; Q518-P520 VanDerWaalsContact O-N 3.16Å; P520-V522 VanDerWaalsContact C-N 3.26Å; P520-V522 PolarHBondContact O-N 3.16Å
521R49.9Very low51.6Low227 Ų227146.3 Ų146.386%0.85776%0.756SS**  trans-56.3103.4165.1-82.9180172-177.6-2.9105F519 K523F519-R521 PolarHBondContact O-N 3.49Å; R521-K523 PolarHBondContact O-N 2.79Å
522V42Very low50.9Low147 Ų147149.4 Ų149.489%0.89177%0.767SS**  trans-62.794.2176.7-176.60000106.1P520P520-V522 VanDerWaalsContact C-N 3.26Å; P520-V522 PolarHBondContact O-N 3.16Å
523K45.1Very low50.1Low175 Ų175143.1 Ų143.176%0.76176%0.756SS**  trans-128.2126.7166.2-80.9-167.9175.3-174.10106.9R521R521-K523 PolarHBondContact O-N 2.79Å
524N38.5Very low49.2Very low135 Ų135139.3 Ų139.372%0.72275%0.752SS**  trans8199.5169.5-61.36.1000113.7
525E40.5Very low48Very low189 Ų189140.8 Ų140.888%0.88377%0.774SS**  66.9112.881-71.7-172.9177.200110.8
526G40Very low47.3Very low81 Ų81140.7 Ų140.784%0.83578%0.775SS**  trans13574.6171.500000113.9
527N43.3Very low46.5Very low155 Ų155140.3 Ų140.383%0.82978%0.784SS**  trans-74.4169.8151.3-15847.7000107.9
528P47.5Very low46.2Very low83 Ų83141.5 Ų141.554%0.53979%0.792SS.*  cis-123174.9-30.625.6-3.4000111
529D47.3Very low46Very low142 Ų142142 Ų14276%0.75980%0.795SS**  160.3119.8125.3-82.1-15.5000110.6
530D49.7Very low46.6Very low156 Ų156139.7 Ų139.783%0.83480%0.795SS**  trans1.5117.8151.1-59.9-33.8000117.2
531D46.9Very low47.5Very low166 Ų166139.5 Ų139.589%0.88879%0.787SS**  trans-145.1126.8132.2-132.5-13.9000111.4
532D48Very low48.9Very low162 Ų162133.2 Ų133.287%0.86677%0.774SS**  trans-72.9129.9-177.3179.923.7000109.6
533G45.6Very low50.7Low69 Ų69136.8 Ų136.871%0.71177%0.772SS**  trans-16964-168.600000114.7
534G45.6Very low52.6Low66 Ų66132 Ų13268%0.6876%0.764SS**  trans66.8103.7136.200000118.6
535A41.2Very low54.9Low103 Ų103127.3 Ų127.385%0.85175%0.745SS**  50.9101129.900000118
536D45.6Very low56.9Low155 Ų155123 Ų12383%0.82973%0.727SS**  -158.9129.1116.1-148.1-5000110.3N538D536-N538 PolarHBondContact O-N 3.42Å
537D45.4Very low59.2Low147 Ų147126.1 Ų126.179%0.78672%0.718SS**  trans-64.2109.4179.9-71.1-47000109.6
538N51.6Low61.4Low152 Ų152125.9 Ų125.981%0.81371%0.709SS**  trans-177.930.3155-89.6-36.9000113.3D536 V540D536-N538 PolarHBondContact O-N 3.42Å; N538-V540 PolarHBondContact O-N 2.78Å
539E52Low63.3Low189 Ų189126.7 Ų126.788%0.88371%0.706SS**  trans-75.195.3-177.3-154.1170.7-166.900111L541E539-L541 PolarHBondContact O-N 2.84Å; E539-L541 VanDerWaalsContact O-N 3.08Å
540V62.1Low65.1Low128 Ų128122.3 Ų122.378%0.77669%0.69SS**  trans-49.7114.4169.81770000108.3N538 T542N538-V540 PolarHBondContact O-N 2.78Å; V540-T542 PolarHBondContact O-N 3.3Å
541L68.9Low67Low102 Ų102120.3 Ų120.353%0.53468%0.675SS.*  trans-52.1105.4178.4-81.6108.2000110.1E539 L546E539-L541 PolarHBondContact O-N 2.84Å; E539-L541 VanDerWaalsContact O-N 3.08Å; L541-L546 HydrophobicContact CB-CD1 4.17Å; L541-L546 HydrophobicContact CB-CG 4.42Å
542T80.7Confident69.1Low96 Ų96117.6 Ų117.659%0.58966%0.657SS**  trans-57.9145.617533.80000109.9V540 A544 A545 L546V540-T542 PolarHBondContact O-N 3.3Å; T542-A544 PolarHBondContact O-N 2.84Å; T542-A545 WeakPolarHBondContact O-CA 3.41Å; T542-A545 WeakPolarHBondContact O-CB 3.28Å; T542-A545 PolarHBondContact O-N 3.33Å; T542-L546 PolarHBondContact O-N 2.8Å; T542-L546 VanDerWaalsContact O-N 3.09Å
543R79.4Confident70.9Confident221 Ų221114.3 Ų114.383%0.83464%0.639SS**Hα-helixtrans-48-33.3178.4-176-178178.7-156.73112.8K547R543-K547 VanDerWaalsContact O-CB 3.29Å; R543-K547 WeakPolarHBondContact O-CB 3.27Å; R543-K547 PolarHBondContact O-N 2.74Å
544A85.6Confident72.9Confident74 Ų74115 Ų11561%0.61263%0.629SS**Hα-helixtrans-67.2-42.8175.500000112.9T542 K547 K548T542-A544 PolarHBondContact O-N 2.84Å; A544-K547 PolarHBondContact O-N 2.72Å; A544-K548 WeakPolarHBondContact O-CB 3.39Å; A544-K548 PolarHBondContact O-N 3.34Å
545A85.7Confident74.8Confident38 Ų38116.8 Ų116.831%0.31462%0.62SS.*Hα-helixtrans-64.3-45.9175.700000111.5T542 K547 K548 Q549T542-A545 WeakPolarHBondContact O-CA 3.41Å; T542-A545 WeakPolarHBondContact O-CB 3.28Å; T542-A545 PolarHBondContact O-N 3.33Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 3.17Å; A545-K548 PolarHBondContact O-N 3.39Å; A545-Q549 WeakPolarHBondContact O-CB 3.36Å; A545-Q549 PolarHBondContact O-N 3.33Å
546L81.9Confident76.8Confident98 Ų98118.4 Ų118.451%0.51361%0.611SS.*Hα-helixtrans-58.9-42.3174.3-109.3154.2000112L541 T542 Q549 A550L541-L546 HydrophobicContact CB-CD1 4.17Å; L541-L546 HydrophobicContact CB-CG 4.42Å; T542-L546 PolarHBondContact O-N 2.8Å; T542-L546 VanDerWaalsContact O-N 3.09Å; L546-Q549 PolarHBondContact O-N 2.86Å; L546-A550 WeakPolarHBondContact O-CB 3.32Å; L546-A550 PolarHBondContact O-N 2.77Å
547K89.5Confident78.6Confident147 Ų147120.6 Ų120.664%0.63961%0.608SS**Hα-helixtrans-66-39.1176.8-155.2179-173.8-172.20111.7R543 A544 A545 A550 Q551R543-K547 VanDerWaalsContact O-CB 3.29Å; R543-K547 WeakPolarHBondContact O-CB 3.27Å; R543-K547 PolarHBondContact O-N 2.74Å; A544-K547 PolarHBondContact O-N 2.72Å; A545-K547 VanDerWaalsContact C-N 3.33Å; A545-K547 PolarHBondContact O-N 3.17Å; K547-A550 PolarHBondContact O-N 2.9Å; K547-Q551 WeakPolarHBondContact O-CB 3.36Å; K547-Q551 PolarHBondContact O-N 3.49Å
548K88.9Confident80Confident149 Ų149118.6 Ų118.665%0.64860%0.597SS**Hα-helixtrans-67.4-42.1176.8-162-179.9-176.2-177.60111.7A544 A545 Q551 Q552A544-K548 WeakPolarHBondContact O-CB 3.39Å; A544-K548 PolarHBondContact O-N 3.34Å; A545-K548 PolarHBondContact O-N 3.39Å; K548-Q551 PolarHBondContact O-N 2.83Å; K548-Q552 PolarHBondContact O-N 3.43Å
549Q87.7Confident80.9Confident101 Ų101119.8 Ų119.847%0.47260%0.595SS.*Hα-helixtrans-65.9-42.3175.9-164.7-179.614.300111.4A545 L546 Q551 Q552 I553A545-Q549 WeakPolarHBondContact O-CB 3.36Å; A545-Q549 PolarHBondContact O-N 3.33Å; L546-Q549 PolarHBondContact O-N 2.86Å; Q549-Q551 PolarHBondContact O-N 3.44Å; Q549-Q552 PolarHBondContact O-N 2.91Å; Q549-I553 HydrophobicContact CG-CD1 4.4Å; Q549-I553 VanDerWaalsContact O-CG1 3.32Å; Q549-I553 WeakPolarHBondContact O-CG1 3.42Å; Q549-I553 PolarHBondContact O-N 3.38Å
550A86.2Confident81.3Confident50 Ų50119.8 Ų119.841%0.41359%0.592SS.*Hα-helixtrans-61.7-42.8173.700000111.9L546 K547 Q552 I553 V554L546-A550 WeakPolarHBondContact O-CB 3.32Å; L546-A550 PolarHBondContact O-N 2.77Å; K547-A550 PolarHBondContact O-N 2.9Å; A550-Q552 PolarHBondContact O-N 3.4Å; A550-I553 PolarHBondContact O-N 2.89Å; A550-V554 WeakPolarHBondContact O-CG2 3.44Å; A550-V554 PolarHBondContact O-N 3.11Å
551Q89.2Confident81.1Confident113 Ų113124.4 Ų124.453%0.52860%0.596SS.*Hα-helixtrans-60.2-45.5175.6-159.6102.215.300111.2K547 K548 Q549 I553 V554 E555K547-Q551 WeakPolarHBondContact O-CB 3.36Å; K547-Q551 PolarHBondContact O-N 3.49Å; K548-Q551 PolarHBondContact O-N 2.83Å; Q549-Q551 PolarHBondContact O-N 3.44Å; Q551-I553 PolarHBondContact O-N 2.91Å; Q551-V554 PolarHBondContact O-N 3.48Å; Q551-E555 WeakPolarHBondContact O-CG 3.49Å; Q551-E555 PolarHBondContact O-N 3.47Å
552Q89.5Confident80.6Confident110 Ų110128.1 Ų128.151%0.51461%0.61SS.*Hα-helixtrans-62.2-39.9176.4-79.5-178.7-15.100112.8K548 Q549 A550 E555 M556K548-Q552 PolarHBondContact O-N 3.43Å; Q549-Q552 PolarHBondContact O-N 2.91Å; A550-Q552 PolarHBondContact O-N 3.4Å; Q552-E555 PolarHBondContact O-N 2.86Å; Q552-M556 WeakPolarHBondContact O-CB 3.37Å; Q552-M556 WeakPolarHBondContact O-CG 3.47Å; Q552-M556 PolarHBondContact O-N 3.37Å
553I87.5Confident79.2Confident92 Ų92129 Ų12947%0.47262%0.616SS.*Hα-helixtrans-64.3-41.8176.3-68.3166.3000110.8Q549 A550 Q551 M556 R557Q549-I553 HydrophobicContact CG-CD1 4.4Å; Q549-I553 VanDerWaalsContact O-CG1 3.32Å; Q549-I553 WeakPolarHBondContact O-CG1 3.42Å; Q549-I553 PolarHBondContact O-N 3.38Å; A550-I553 PolarHBondContact O-N 2.89Å; Q551-I553 PolarHBondContact O-N 2.91Å; I553-M556 PolarHBondContact O-N 3.15Å; I553-R557 PolarHBondContact O-N 3.48Å
554V86.1Confident77.7Confident83 Ų83130.3 Ų130.350%0.50362%0.621SS.*Hα-helixtrans-64.8-44176.31730000111A550 Q551 R557 N558A550-V554 WeakPolarHBondContact O-CG2 3.44Å; A550-V554 PolarHBondContact O-N 3.11Å; Q551-V554 PolarHBondContact O-N 3.48Å; V554-R557 PolarHBondContact O-N 3.08Å; V554-N558 WeakPolarHBondContact O-CB 3.34Å; V554-N558 PolarHBondContact O-N 3.01Å
555E86.6Confident75.9Confident105 Ų105136.5 Ų136.549%0.49163%0.634SS.*Hα-helixtrans-63.7-41177.1-74.8-179.7-172.400112.3Q551 Q552 N558 K559Q551-E555 WeakPolarHBondContact O-CG 3.49Å; Q551-E555 PolarHBondContact O-N 3.47Å; Q552-E555 PolarHBondContact O-N 2.86Å; E555-N558 PolarHBondContact O-N 3.49Å; E555-K559 PolarHBondContact O-N 3.22Å
556M83.7Confident74.1Confident137 Ų137144.3 Ų144.368%0.67566%0.661SS**Hα-helixtrans-65.6-38.9175.1-76.7-144.2-74.800112.6Q552 I553 K560Q552-M556 WeakPolarHBondContact O-CB 3.37Å; Q552-M556 WeakPolarHBondContact O-CG 3.47Å; Q552-M556 PolarHBondContact O-N 3.37Å; I553-M556 PolarHBondContact O-N 3.15Å; M556-K560 PolarHBondContact O-N 2.93Å
557R82Confident72.3Confident200 Ų200148.8 Ų148.876%0.75568%0.676SS**Hα-helixtrans-67.6-37.8176.1-112.2-179173.6163.5-0.6112.3I553 V554I553-R557 PolarHBondContact O-N 3.48Å; V554-R557 PolarHBondContact O-N 3.08Å
558N75.2Confident70Confident106 Ų106153.7 Ų153.757%0.56769%0.69SS**Hα-helixtrans-74.1-35.1180-73.7-18.1000112.5V554 E555 K560 R561V554-N558 WeakPolarHBondContact O-CB 3.34Å; V554-N558 PolarHBondContact O-N 3.01Å; E555-N558 PolarHBondContact O-N 3.49Å; N558-K560 VanDerWaalsContact C-N 3.33Å; N558-K560 PolarHBondContact O-N 3.07Å; N558-R561 PolarHBondContact O-N 3.3Å
559K71.2Confident68.1Low176 Ų176157.6 Ų157.677%0.76570%0.701SS**Hα-helixtrans-64.8-30.8175.6-87178.2175.4171.90113.8E555 R561E555-K559 PolarHBondContact O-N 3.22Å; K559-R561 PolarHBondContact O-N 2.91Å
560K60.1Low66.2Low189 Ų189159 Ų15982%0.82272%0.716SS**THydrogen-bonded Turntrans-77.6-12.4-179.7-84.4-174.3176178.60115.2M556 N558M556-K560 PolarHBondContact O-N 2.93Å; N558-K560 VanDerWaalsContact C-N 3.33Å; N558-K560 PolarHBondContact O-N 3.07Å
561R58.2Low64.5Low226 Ų226171.7 Ų171.785%0.85375%0.753SS**THydrogen-bonded Turntrans-92-11.6-171.8-107-179.7153.4-165.1-5.8116.1N558 K559N558-R561 PolarHBondContact O-N 3.3Å; K559-R561 PolarHBondContact O-N 2.91Å
562Q57.9Low63.3Low179 Ų179174.6 Ų174.684%0.83677%0.765SS**SBendtrans-89.4-5.9-170.5-77.3-164.7-5.700116.8
563T52.2Low61.9Low116 Ų116178 Ų17871%0.71278%0.778SS**SBendtrans-113.3100.5-177.454.30000112.5
564R46.8Very low60.5Low248 Ų248182.8 Ų182.894%0.93680%0.795SS**  trans14485.8144.6-77.9173.6172.6-164.6-2.2112.6
565K47Very low59Low204 Ų204188.6 Ų188.689%0.88781%0.812SS**  trans-133.9105.9151.7-81.8-172.3177.7-179.70108.2
566K48.1Very low57.3Low202 Ų202193.9 Ų193.988%0.87883%0.832SS**  trans177.9136.1146.8-103.7168.7-174.6179.20111.7
567K44.5Very low55.5Low192 Ų192197.7 Ų197.784%0.83584%0.843SS**  trans80.7108.9163.9-59.9176.3177.7-178.20116.4
568R42.3Very low53.6Low249 Ų249197.5 Ų197.594%0.9485%0.849SS**  -165137.386.8-93.5171.674.2163.92111.5
569R49.1Very low52Low232 Ų232204.5 Ų204.588%0.87587%0.871SS**  trans-88.4149.4175-107.1-178.7169.2-179.9-4.6109
570V47.8Very low50.3Low129 Ų129206.9 Ų206.978%0.78288%0.879SS**  trans65.2109.1143-175.90000117.6
571R50.3Low49.5Very low317 Ų317208.5 Ų208.5100%1.19689%0.885SS**  -128.60117.1-106.2-173.4177.7-179.9-1.1108.2

Retrieved 571 of 571 residues in 890.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).