A0A096LXU9_POEFO Loading...

Homeobox-containing protein 1

Binds directly to 5'-TTAGGG-3' repeats in telomeric DNA. Associates with the telomerase complex at sites of active telomere processing and positively regulates telomere elongation. Important for TERT binding to chromatin, indicating a role in recruitment of the telomerase complex to telomeres. Also plays a role in the alternative lengthening of telomeres (ALT) pathway in telomerase-negative cells where it promotes formation and/or maintenance of ALT-associated promyelocytic leukemia bodies (APBs). Enhances formation of telomere C-circles in ALT cells, suggesting a possible role in telomere recombination. Might also be involved in the DNA damage response at telomeres.

AlphaFold DB , UniProt , Accession A0A096LXU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low56.4Low236 Ų236147.5 Ų147.5100%1.16375%0.753SS**  0142.40-62.481.3108.900108
2S41.5Very low58.6Low89 Ų89147.7 Ų147.762%0.62275%0.754SS**  cis-149.6151.5-2.536.40000110
3D45.5Very low60.9Low166 Ų166148.7 Ų148.789%0.88875%0.753SS**  trans-60.1135.1-175.9-51-97.5000111.9
4F44.4Very low62.7Low189 Ų189144.6 Ų144.683%0.82973%0.73SS**  trans-108.5125.1170.5-90.5-89.2000109.6
5S44.6Very low64.4Low112 Ų112139.6 Ų139.678%0.78371%0.705SS**  trans62.578.8161.2-58.20000116.6E7S5-E7 PolarHBondContact O-N 3.34Å
6E49.5Very low65.9Low164 Ų164134 Ų13477%0.76668%0.678SS**  trans-58126.7154.4-168.9-179.4-171.300109.1R9E6-R9 WeakPolarHBondContact OE1-CD 3.46Å
7E52.5Low67.5Low166 Ų166132.1 Ų132.178%0.77667%0.669SS**  trans-69.5149-170.9-156.7164.5-173.500111.4S5 R9S5-E7 PolarHBondContact O-N 3.34Å; E7-R9 WeakPolarHBondContact O-CG 3.35Å; E7-R9 PolarHBondContact O-N 3.4Å
8P61Low68.8Low114 Ų114129.2 Ų129.274%0.7466%0.656SS**  trans-60.1103.7-175.722.2-34.9000112.5F10P8-F10 PolarHBondContact O-N 2.8Å
9R68.5Low69.8Low189 Ų189127.5 Ų127.571%0.71365%0.645SS**  trans-64.811.8-172.9-65.6179.354.4-164.9-5.8116.7E6 E7E6-R9 WeakPolarHBondContact OE1-CD 3.46Å; E7-R9 WeakPolarHBondContact O-CG 3.35Å; E7-R9 PolarHBondContact O-N 3.4Å
10F82.5Confident71Confident124 Ų124128.5 Ų128.554%0.54464%0.64SS.*SBendtrans-135134.5-175.9-58.2-72.2000110.8P8 Q14 I15P8-F10 PolarHBondContact O-N 2.8Å; F10-Q14 HydrophobicContact CB-CB 4.42Å; F10-I15 HydrophobicContact CB-CD1 4.23Å; F10-I15 HydrophobicContact CB-CG1 3.95Å
11T86.4Confident72Confident74 Ų74125 Ų12545%0.45462%0.624SS.*  trans-69.4158.8175.771.30000111.1E13 Q14 I15T11-E13 PolarHBondContact O-N 2.65Å; T11-Q14 PolarHBondContact O-N 2.75Å; T11-Q14 VanDerWaalsContact O-N 3.12Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.28Å; T11-Q14 PolarHBondContact OG1-N 3.4Å; T11-I15 WeakPolarHBondContact O-CG1 3.35Å; T11-I15 PolarHBondContact O-N 2.91Å
12I82.8Confident74.1Confident149 Ų149123.2 Ų123.276%0.76460%0.604SS**Hα-helixtrans-56.3-35.7176.6-61.1169.6000111I15 D16I12-I15 PolarHBondContact O-N 2.91Å; I12-D16 PolarHBondContact O-N 3.44Å
13E88.4Confident76.5Confident161 Ų161126.1 Ų126.175%0.75260%0.601SS**Hα-helixtrans-68.7-43.1177.4-59.1-176.2159.100112.5T11 I15 D16 L17T11-E13 PolarHBondContact O-N 2.65Å; E13-I15 VanDerWaalsContact C-N 3.25Å; E13-I15 PolarHBondContact O-N 2.74Å; E13-D16 PolarHBondContact O-N 3Å; E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 PolarHBondContact O-N 2.78Å
14Q87.3Confident78.6Confident91 Ų91122.9 Ų122.943%0.42559%0.587SS.*Hα-helixtrans-62-36173.3-71.5167.2-20.100111.2F10 T11 L18F10-Q14 HydrophobicContact CB-CB 4.42Å; T11-Q14 PolarHBondContact O-N 2.75Å; T11-Q14 VanDerWaalsContact O-N 3.12Å; T11-Q14 WeakPolarHBondContact OG1-CG 3.28Å; T11-Q14 PolarHBondContact OG1-N 3.4Å; Q14-L18 WeakPolarHBondContact O-CB 3.34Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.48Å
15I87.3Confident80.8Confident70 Ų70116.8 Ų116.836%0.35958%0.578SS.*Hα-helixtrans-69.8-46.4177.2-66.7168.1000111.5F10 T11 I12 E13 L17 L18 Q19F10-I15 HydrophobicContact CB-CD1 4.23Å; F10-I15 HydrophobicContact CB-CG1 3.95Å; T11-I15 WeakPolarHBondContact O-CG1 3.35Å; T11-I15 PolarHBondContact O-N 2.91Å; I12-I15 PolarHBondContact O-N 2.91Å; E13-I15 VanDerWaalsContact C-N 3.25Å; E13-I15 PolarHBondContact O-N 2.74Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.08Å; I15-L18 PolarHBondContact O-N 3.33Å; I15-Q19 WeakPolarHBondContact O-CG 2.96Å; I15-Q19 PolarHBondContact O-N 3.28Å
16D89.2Confident82.8Confident50 Ų50114.5 Ų114.527%0.26756%0.556SS.*Hα-helixtrans-65.5-37.1175.2-179.265.9000112I12 E13 L18 Q19 R20 R23I12-D16 PolarHBondContact O-N 3.44Å; E13-D16 PolarHBondContact O-N 3Å; D16-L18 PolarHBondContact O-N 3.29Å; D16-Q19 CarbonylContact O-C 3.25Å; D16-Q19 PolarHBondContact O-N 2.97Å; D16-R20 VanDerWaalsContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CB 3.48Å; D16-R20 PolarHBondContact O-N 2.79Å; D16-R20 IonicContact OD2-CZ 2.78Å; D16-R20 IonicContact OD2-NE 2.66Å; D16-R20 PolarHBondContact OD2-NE 3.34Å; D16-R20 IonicContact OD2-NH2 2.75Å; D16-R20 PolarHBondContact OD2-NH2 2.68Å; D16-R23 IonicContact OD1-CZ 2.7Å; D16-R23 IonicContact OD1-NH1 2.68Å; D16-R23 IonicContact OD1-NH2 3.2Å; D16-R23 PolarHBondContact OD1-NH2 2.61Å
17L92.9Very high84.8Confident101 Ų101110 Ų11053%0.52954%0.54SS..Hα-helixtrans-58.2-47.8174.3-179.861.3000111.4E13 I15 Q19 R20 L21E13-L17 WeakPolarHBondContact O-CB 3.4Å; E13-L17 PolarHBondContact O-N 2.78Å; I15-L17 VanDerWaalsContact C-N 3.35Å; I15-L17 PolarHBondContact O-N 3.08Å; L17-Q19 PolarHBondContact O-N 3.35Å; L17-R20 WeakPolarHBondContact O-CB 3.28Å; L17-R20 PolarHBondContact O-N 2.9Å; L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.21Å
18L90.6Very high86.6Confident81 Ų81110.3 Ų110.342%0.42454%0.539SS..Hα-helixtrans-64.9-37.2175.7-72.7170.8000112.5Q14 I15 D16 R20 R22Q14-L18 WeakPolarHBondContact O-CB 3.34Å; Q14-L18 WeakPolarHBondContact O-CG 3.35Å; Q14-L18 PolarHBondContact O-N 3.48Å; I15-L18 PolarHBondContact O-N 3.33Å; D16-L18 PolarHBondContact O-N 3.29Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R22 WeakPolarHBondContact O-CG 3.43Å; L18-R22 PolarHBondContact O-N 2.8Å
19Q88.4Confident88.1Confident97 Ų97112.5 Ų112.545%0.45354%0.539SS..Hα-helixtrans-65.7-36.4172.7-71.3-179.822.100112.2I15 D16 L17 R22 R23I15-Q19 WeakPolarHBondContact O-CG 2.96Å; I15-Q19 PolarHBondContact O-N 3.28Å; D16-Q19 CarbonylContact O-C 3.25Å; D16-Q19 PolarHBondContact O-N 2.97Å; L17-Q19 PolarHBondContact O-N 3.35Å; Q19-R22 PolarHBondContact O-N 3.12Å; Q19-R23 VanDerWaalsContact CB-NH2 3.28Å; Q19-R23 VanDerWaalsContact O-CG 3.3Å; Q19-R23 WeakPolarHBondContact O-CG 3.47Å; Q19-R23 PolarHBondContact O-N 3.3Å; Q19-R23 PolarHBondContact O-NE 3.17Å; Q19-R23 VanDerWaalsContact OE1-NH2 3.07Å
20R92.4Very high89.1Confident146 Ų146108.3 Ų108.355%0.55153%0.528SS*.Hα-helixtrans-68.9-41.3179-160.3-179.3-58.7-162.63.1111.1D16 L17 L18 R22 R23 T24D16-R20 VanDerWaalsContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CB 3.48Å; D16-R20 PolarHBondContact O-N 2.79Å; D16-R20 IonicContact OD2-CZ 2.78Å; D16-R20 IonicContact OD2-NE 2.66Å; D16-R20 PolarHBondContact OD2-NE 3.34Å; D16-R20 IonicContact OD2-NH2 2.75Å; D16-R20 PolarHBondContact OD2-NH2 2.68Å; L17-R20 WeakPolarHBondContact O-CB 3.28Å; L17-R20 PolarHBondContact O-N 2.9Å; L18-R20 VanDerWaalsContact C-N 3.33Å; R20-R22 VanDerWaalsContact C-N 3.33Å; R20-R22 PolarHBondContact O-N 2.6Å; R20-R23 WeakPolarHBondContact O-CB 3.15Å; R20-R23 PolarHBondContact O-N 3.49Å; R20-R23 VanDerWaalsContact O-N 3.15Å; R20-T24 PolarHBondContact O-N 2.73Å
21L91.8Very high89.5Confident57 Ų57103.4 Ų103.430%0.29851%0.507SS..Hα-helixtrans-65.3-32.1171.1-69.4170.6000112.9L17 T24 M26 I31L17-L21 HydrophobicContact CG-CD1 4.45Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.21Å; L21-T24 PolarHBondContact O-OG1 3.47Å; L21-M26 HydrophobicContact CD2-SD 4.43Å; L21-I31 HydrophobicContact CB-CD1 3.85Å; L21-I31 HydrophobicContact CB-CG1 4.34Å; L21-I31 HydrophobicContact CD1-CG2 4.32Å
22R89.1Confident89.7Confident197 Ų197104 Ų10474%0.74351%0.507SS*.Hα-helixtrans-73.5-28.9170.4-73.3-172.767.6-167.4-1.8113.1L18 Q19 R20 T24 G25L18-R22 WeakPolarHBondContact O-CG 3.43Å; L18-R22 PolarHBondContact O-N 2.8Å; Q19-R22 PolarHBondContact O-N 3.12Å; R20-R22 VanDerWaalsContact C-N 3.33Å; R20-R22 PolarHBondContact O-N 2.6Å; R22-T24 VanDerWaalsContact C-N 3.32Å; R22-G25 PolarHBondContact O-N 3.47Å
23R91.6Very high90.1Very high151 Ų151102.6 Ų102.657%0.5750%0.497SS*.Hα-helixtrans-71.5-21176.1-78.3174.7-115.3152-3.5113.2D16 Q19 R20 G25D16-R23 IonicContact OD1-CZ 2.7Å; D16-R23 IonicContact OD1-NH1 2.68Å; D16-R23 IonicContact OD1-NH2 3.2Å; D16-R23 PolarHBondContact OD1-NH2 2.61Å; Q19-R23 VanDerWaalsContact CB-NH2 3.28Å; Q19-R23 VanDerWaalsContact O-CG 3.3Å; Q19-R23 WeakPolarHBondContact O-CG 3.47Å; Q19-R23 PolarHBondContact O-N 3.3Å; Q19-R23 PolarHBondContact O-NE 3.17Å; Q19-R23 VanDerWaalsContact OE1-NH2 3.07Å; R20-R23 WeakPolarHBondContact O-CB 3.15Å; R20-R23 PolarHBondContact O-N 3.49Å; R20-R23 VanDerWaalsContact O-N 3.15Å; R23-G25 PolarHBondContact O-N 3.05Å
24T89.5Confident90.2Very high97 Ų9796.7 Ų96.760%0.59548%0.476SS*.THydrogen-bonded Turntrans-81.42.2171.1580000113.5R20 L21 R22 M26R20-T24 PolarHBondContact O-N 2.73Å; L21-T24 PolarHBondContact O-OG1 3.47Å; R22-T24 VanDerWaalsContact C-N 3.32Å; T24-M26 VanDerWaalsContact C-N 3.32Å; T24-M26 PolarHBondContact O-N 2.65Å
25G89.4Confident90.3Very high62 Ų6296.6 Ų96.664%0.63948%0.478SS*.THydrogen-bonded Turntrans85.7-7.5-179.200000115R22 R23 T27R22-G25 PolarHBondContact O-N 3.47Å; R23-G25 PolarHBondContact O-N 3.05Å; G25-T27 PolarHBondContact O-N 3.22Å
26M88.6Confident90.5Very high63 Ų6398.3 Ų98.331%0.3149%0.488SS..  trans-62.2128179.8-64.8-179.171.500111.6L21 T24 E30 I31 A34L21-M26 HydrophobicContact CD2-SD 4.43Å; T24-M26 VanDerWaalsContact C-N 3.32Å; T24-M26 PolarHBondContact O-N 2.65Å; M26-E30 HydrophobicContact CE-CB 4.13Å; M26-I31 HydrophobicContact CB-CD1 4.26Å; M26-I31 HydrophobicContact CB-CG1 3.84Å; M26-I31 HydrophobicContact CE-CG1 4.22Å; M26-A34 HydrophobicContact CE-CB 4.21Å
27T91.5Very high90.5Very high71 Ų7197.6 Ų97.644%0.43649%0.485SS..  trans-71.8163.8173.5680000111.4G25 Q29 E30 I31G25-T27 PolarHBondContact O-N 3.22Å; T27-Q29 PolarHBondContact O-N 2.86Å; T27-E30 WeakPolarHBondContact CA-OE2 3.4Å; T27-E30 WeakPolarHBondContact CB-OE2 3.41Å; T27-E30 VanDerWaalsContact CG2-OE2 3.25Å; T27-E30 WeakPolarHBondContact CG2-OE2 3.46Å; T27-E30 PolarHBondContact N-OE2 2.99Å; T27-E30 PolarHBondContact O-N 3.04Å; T27-E30 WeakPolarHBondContact OG1-CG 3.27Å; T27-E30 PolarHBondContact OG1-N 3.47Å; T27-E30 PolarHBondContact OG1-OE2 2.95Å; T27-I31 WeakPolarHBondContact O-CG1 3.38Å; T27-I31 PolarHBondContact O-N 2.84Å
28K89Confident90.2Very high171 Ų17197.9 Ų97.974%0.74349%0.486SS*.Hα-helixtrans-55.8-33.9174.4-175.9-177.2175.4-173.60112.5L32K28-L32 HydrophobicContact CG-CD1 4.33Å; K28-L32 VanDerWaalsContact O-CG 3.32Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 2.9Å
29Q92.1Very high90Very high161 Ų16199.1 Ų99.175%0.75249%0.493SS*.Hα-helixtrans-73.9-40.7-179.5-72.5-179.2-28.600111.7T27 L32 H33T27-Q29 PolarHBondContact O-N 2.86Å; Q29-L32 PolarHBondContact O-N 3.31Å; Q29-H33 WeakPolarHBondContact O-CB 3.39Å; Q29-H33 PolarHBondContact O-N 3.43Å
30E89.6Confident89.9Confident100 Ų10099.9 Ų99.947%0.46749%0.492SS..Hα-helixtrans-67.9-36.6176.4-68157.4124.500112.2M26 T27 L32 H33 A34M26-E30 HydrophobicContact CE-CB 4.13Å; T27-E30 WeakPolarHBondContact CA-OE2 3.4Å; T27-E30 WeakPolarHBondContact CB-OE2 3.41Å; T27-E30 VanDerWaalsContact CG2-OE2 3.25Å; T27-E30 WeakPolarHBondContact CG2-OE2 3.46Å; T27-E30 PolarHBondContact N-OE2 2.99Å; T27-E30 PolarHBondContact O-N 3.04Å; T27-E30 WeakPolarHBondContact OG1-CG 3.27Å; T27-E30 PolarHBondContact OG1-N 3.47Å; T27-E30 PolarHBondContact OG1-OE2 2.95Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.82Å; E30-H33 PolarHBondContact O-N 2.87Å; E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.27Å; E30-A34 PolarHBondContact O-N 2.95Å
31I90.7Very high89.3Confident22 Ų2296.7 Ų96.711%0.11349%0.486CS..Hα-helixtrans-62.4-41.5173.8-66.1167.6000110.8L21 M26 T27 L35L21-I31 HydrophobicContact CB-CD1 3.85Å; L21-I31 HydrophobicContact CB-CG1 4.34Å; L21-I31 HydrophobicContact CD1-CG2 4.32Å; M26-I31 HydrophobicContact CB-CD1 4.26Å; M26-I31 HydrophobicContact CB-CG1 3.84Å; M26-I31 HydrophobicContact CE-CG1 4.22Å; T27-I31 WeakPolarHBondContact O-CG1 3.38Å; T27-I31 PolarHBondContact O-N 2.84Å; I31-L35 WeakPolarHBondContact O-CG 3.35Å; I31-L35 PolarHBondContact O-N 3.48Å
32L90.8Very high88.6Confident87 Ų8799.6 Ų99.646%0.45550%0.502SS..Hα-helixtrans-67.8-47.5175.9-70.4168.9000111.7K28 Q29 E30 A34 L35 D36K28-L32 HydrophobicContact CG-CD1 4.33Å; K28-L32 VanDerWaalsContact O-CG 3.32Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 2.9Å; Q29-L32 PolarHBondContact O-N 3.31Å; E30-L32 VanDerWaalsContact C-N 3.34Å; E30-L32 PolarHBondContact O-N 2.82Å; L32-A34 PolarHBondContact O-N 2.96Å; L32-L35 WeakPolarHBondContact O-CA 3.19Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 3.37Å; L32-D36 PolarHBondContact O-N 2.8Å
33H92.2Very high88.2Confident118 Ų118100.2 Ų100.255%0.54650%0.504SS..Hα-helixtrans-62.5-30.3177.5179.9-99.4000113.1Q29 E30 T37Q29-H33 WeakPolarHBondContact O-CB 3.39Å; Q29-H33 PolarHBondContact O-N 3.43Å; E30-H33 PolarHBondContact O-N 2.87Å; H33-T37 VanDerWaalsContact O-CB 3.24Å; H33-T37 WeakPolarHBondContact O-CB 3.41Å; H33-T37 PolarHBondContact O-N 3.3Å; H33-T37 PolarHBondContact O-OG1 3.03Å
34A90.5Very high87.2Confident38 Ų3899.2 Ų99.231%0.31451%0.506SS..Hα-helixtrans-68.4-39.5171.900000112M26 E30 L32 T37 L38M26-A34 HydrophobicContact CE-CB 4.21Å; E30-A34 VanDerWaalsContact O-CB 3.24Å; E30-A34 WeakPolarHBondContact O-CB 3.27Å; E30-A34 PolarHBondContact O-N 2.95Å; L32-A34 PolarHBondContact O-N 2.96Å; A34-T37 PolarHBondContact O-N 3.26Å; A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.42Å
35L90.1Very high86Confident89 Ų8998.1 Ų98.147%0.46649%0.494SS..Hα-helixtrans-66.1-48.3173.1-68.3166.2000111.4I31 L32 T37 L38 D39I31-L35 WeakPolarHBondContact O-CG 3.35Å; I31-L35 PolarHBondContact O-N 3.48Å; L32-L35 WeakPolarHBondContact O-CA 3.19Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 3.37Å; L35-T37 PolarHBondContact O-N 3.34Å; L35-L38 HydrophobicContact CD2-CD1 4.49Å; L35-L38 WeakPolarHBondContact O-CB 3.42Å; L35-L38 PolarHBondContact O-N 3.3Å; L35-D39 PolarHBondContact O-N 3.01Å
36D91.3Very high84.5Confident106 Ų10696.4 Ų96.457%0.56748%0.476SS*.Hα-helixtrans-56.7-33.9174.2-66.6-42.4000111.9L32 R40L32-D36 PolarHBondContact O-N 2.8Å; D36-R40 WeakPolarHBondContact O-CB 3.36Å; D36-R40 PolarHBondContact O-N 3.5Å; D36-R40 VanDerWaalsContact O-N 3.08Å
37T88.8Confident83.1Confident35 Ų3598.9 Ų98.922%0.21549%0.49CS..Hα-helixtrans-75.2-37.3176.5-65.50000112.5H33 A34 L35 R40 L41H33-T37 VanDerWaalsContact O-CB 3.24Å; H33-T37 WeakPolarHBondContact O-CB 3.41Å; H33-T37 PolarHBondContact O-N 3.3Å; H33-T37 PolarHBondContact O-OG1 3.03Å; A34-T37 PolarHBondContact O-N 3.26Å; L35-T37 PolarHBondContact O-N 3.34Å; T37-R40 PolarHBondContact OG1-NH2 3.05Å; T37-L41 HydrophobicContact CG2-CD1 4.02Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CB 3.39Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.46Å; T37-L41 PolarHBondContact O-N 3.39Å
38L86.3Confident81.5Confident106 Ų106103.3 Ų103.356%0.55550%0.504SS*.Hα-helixtrans-63.4-47.8172.1-75.2165.1000111.1A34 L35 R40 L41 D42A34-L38 WeakPolarHBondContact O-CG 3.44Å; A34-L38 PolarHBondContact O-N 3.42Å; L35-L38 HydrophobicContact CD2-CD1 4.49Å; L35-L38 WeakPolarHBondContact O-CB 3.42Å; L35-L38 PolarHBondContact O-N 3.3Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 2.84Å; L38-L41 PolarHBondContact O-N 3.45Å; L38-L41 VanDerWaalsContact O-N 3.09Å; L38-D42 PolarHBondContact O-N 3.43Å
39D85.9Confident79.7Confident107 Ų107103.7 Ų103.757%0.57251%0.506SS*.Hα-helixtrans-64-34.1179-71.9-5.6000112.2L35 R43L35-D39 PolarHBondContact O-N 3.01Å; D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 WeakPolarHBondContact O-CD 3.42Å; D39-R43 VanDerWaalsContact O-CG 3.24Å; D39-R43 WeakPolarHBondContact O-CG 3.47Å; D39-R43 PolarHBondContact O-N 3.01Å
40R87.5Confident77.5Confident113 Ų11398.2 Ų98.243%0.42649%0.493SS..Hα-helixtrans-67.4-45169.9174.1175.152.8-166.6-9.9111.9D36 T37 L38 R43 E44D36-R40 WeakPolarHBondContact O-CB 3.36Å; D36-R40 PolarHBondContact O-N 3.5Å; D36-R40 VanDerWaalsContact O-N 3.08Å; T37-R40 PolarHBondContact OG1-NH2 3.05Å; L38-R40 VanDerWaalsContact C-N 3.3Å; L38-R40 PolarHBondContact O-N 2.84Å; R40-R43 PolarHBondContact O-N 3.5Å; R40-E44 PolarHBondContact O-N 3.27Å
41L78.8Confident75.4Confident80 Ų80103 Ų10342%0.41951%0.506SS..Hα-helixtrans-64.9-41.3-179.2-77.5169.5000111.8T37 L38 E44 H45T37-L41 HydrophobicContact CG2-CD1 4.02Å; T37-L41 HydrophobicContact CG2-CG 4.44Å; T37-L41 WeakPolarHBondContact O-CB 3.39Å; T37-L41 VanDerWaalsContact O-CG 3.24Å; T37-L41 WeakPolarHBondContact O-CG 3.46Å; T37-L41 PolarHBondContact O-N 3.39Å; L38-L41 PolarHBondContact O-N 3.45Å; L38-L41 VanDerWaalsContact O-N 3.09Å; L41-E44 PolarHBondContact O-N 2.96Å; L41-H45 VanDerWaalsContact O-CB 3.3Å; L41-H45 WeakPolarHBondContact O-CB 3.46Å; L41-H45 PolarHBondContact O-N 2.91Å; L41-H45 PolarHBondContact O-ND1 2.96Å
42D76.5Confident73.2Confident118 Ų118113.6 Ų113.663%0.63155%0.545SS*.Hα-helixtrans-64.2-40.8175.9-166.150.1000111.3L38 E44 H45 G46L38-D42 PolarHBondContact O-N 3.43Å; D42-E44 VanDerWaalsContact C-N 3.3Å; D42-E44 PolarHBondContact O-N 3.15Å; D42-H45 PolarHBondContact O-N 2.87Å; D42-G46 WeakPolarHBondContact O-CA 3.31Å; D42-G46 PolarHBondContact O-N 3.46Å
43R81.1Confident70.6Confident209 Ų209115.1 Ų115.179%0.78956%0.558SS**Hα-helixtrans-63.7-28172.1-76.4171.555-131.5-9.9114.6D39 R40D39-R43 WeakPolarHBondContact O-CB 3.38Å; D39-R43 WeakPolarHBondContact O-CD 3.42Å; D39-R43 VanDerWaalsContact O-CG 3.24Å; D39-R43 WeakPolarHBondContact O-CG 3.47Å; D39-R43 PolarHBondContact O-N 3.01Å; R40-R43 PolarHBondContact O-N 3.5Å
44E71.3Confident67.9Low130 Ų130114.9 Ų114.961%0.60757%0.569SS**Hα-helixtrans-92.4-24.2178.1-74.1179.8-17400113.8R40 L41 D42R40-E44 PolarHBondContact O-N 3.27Å; L41-E44 PolarHBondContact O-N 2.96Å; D42-E44 VanDerWaalsContact C-N 3.3Å; D42-E44 PolarHBondContact O-N 3.15Å
45H64.6Low65.1Low74 Ų74119 Ų11934%0.34360%0.596SS.*Hα-helixtrans-122.2-8.1-170.6-64.978.7000115.1L41 D42 D47 K48L41-H45 VanDerWaalsContact O-CB 3.3Å; L41-H45 WeakPolarHBondContact O-CB 3.46Å; L41-H45 PolarHBondContact O-N 2.91Å; L41-H45 PolarHBondContact O-ND1 2.96Å; D42-H45 PolarHBondContact O-N 2.87Å; H45-D47 VanDerWaalsContact C-N 3.3Å; H45-D47 PolarHBondContact O-N 2.89Å; H45-K48 WeakPolarHBondContact O-CB 3.37Å; H45-K48 PolarHBondContact O-N 3.02Å
46G57.8Low62.5Low26 Ų26120 Ų12027%0.26861%0.61SS.*Hα-helixtrans-54.5-38.4-176.400000114.3D42 K48 F49 G50D42-G46 WeakPolarHBondContact O-CA 3.31Å; D42-G46 PolarHBondContact O-N 3.46Å; G46-K48 PolarHBondContact O-N 2.94Å; G46-F49 PolarHBondContact O-N 3.23Å; G46-G50 WeakPolarHBondContact O-CA 3.28Å; G46-G50 PolarHBondContact O-N 3.13Å
47D58Low59.6Low115 Ų115120.7 Ų120.762%0.61562%0.623SS**Hα-helixtrans-69.5-16.6178.8-138.1-20.1000113.2H45 R51H45-D47 VanDerWaalsContact C-N 3.3Å; H45-D47 PolarHBondContact O-N 2.89Å; D47-R51 IonicContact OD1-CZ 3.51Å; D47-R51 IonicContact OD1-NE 2.98Å; D47-R51 PolarHBondContact OD1-NE 2.79Å; D47-R51 IonicContact OD1-NH2 3.11Å; D47-R51 PolarHBondContact OD1-NH2 2.88Å
48K58.7Low56.9Low165 Ų165124.6 Ų124.672%0.71765%0.652SS**Hα-helixtrans-89.4-21.7178.1-68.5-179.5179.9171.80113.9H45 G46H45-K48 WeakPolarHBondContact O-CB 3.37Å; H45-K48 PolarHBondContact O-N 3.02Å; G46-K48 PolarHBondContact O-N 2.94Å
49F50.7Low54.2Low179 Ų179124.8 Ų124.879%0.78566%0.663SS**Hα-helixtrans-115.9-22.6178-70.1-78.8000114G46 R51G46-F49 PolarHBondContact O-N 3.23Å; F49-R51 PolarHBondContact O-N 2.61Å
50G46.6Very low51.4Low46 Ų46124.8 Ų124.847%0.47467%0.671SS.*  trans-73.2-15.3-172.300000116.4G46 R52G46-G50 WeakPolarHBondContact O-CA 3.28Å; G46-G50 PolarHBondContact O-N 3.13Å; G50-R52 PolarHBondContact O-N 2.81Å
51R44.8Very low48.6Very low200 Ų200124.4 Ų124.476%0.75569%0.686SS**THydrogen-bonded Turntrans-80.747.1-173.7-66.9-171-177.8-98.8-7115D47 F49D47-R51 IonicContact OD1-CZ 3.51Å; D47-R51 IonicContact OD1-NE 2.98Å; D47-R51 PolarHBondContact OD1-NE 2.79Å; D47-R51 IonicContact OD1-NH2 3.11Å; D47-R51 PolarHBondContact OD1-NH2 2.88Å; F49-R51 PolarHBondContact O-N 2.61Å
52R45.8Very low46.2Very low245 Ų245125.6 Ų125.693%0.92570%0.696SS**THydrogen-bonded Turntrans-137.113.7166.4-87.9-152.1168.7-142.7-4.6117.5G50G50-R52 PolarHBondContact O-N 2.81Å
53T35.6Very low44Very low119 Ų119129.3 Ų129.373%0.7370%0.703SS**SBendtrans-133.6125.2163.849.50000112.7
54S35Very low41.5Very low112 Ų112127.2 Ų127.278%0.78371%0.706SS**  trans42.695.6155.757.60000119
55S31.1Very low39.4Very low124 Ų124127.2 Ų127.287%0.86772%0.715SS**  trans-107.382.5159.562.40000111.1
56S35.9Very low37.7Very low111 Ų111128.5 Ų128.578%0.77674%0.739SS**  trans-93.2100.6170.455.20000110.4
57S31.4Very low36.3Very low120 Ų120130.7 Ų130.784%0.83976%0.761SS**  trans-140.5115173.7-67.70000111.2
58S30.9Very low35Very low117 Ų117129.5 Ų129.582%0.81877%0.767SS**  trans-77.4148.3170.7-49.30000111.2
59S29.4Very low33.8Very low111 Ų111128.7 Ų128.778%0.77677%0.771SS**  165.6152.3122.5-74.70000113.5
60S28.6Very low33Very low106 Ų106125.5 Ų125.574%0.74177%0.77SS**  trans57.497.8159.1-560000117.4
61S28Very low32.3Very low106 Ų106127.9 Ų127.974%0.74178%0.78SS**  65.3115.173.5-580000114.6
62T28Very low31.8Very low104 Ų104124.3 Ų124.364%0.63878%0.78SS**  178.4163.5108.831.20000113.3
63Y31.3Very low31.2Very low197 Ų197116.7 Ų116.777%0.77377%0.769SS**  trans66.777.9162.5-40.5-52.8000120.9
64L29Very low31Very low164 Ų164120.1 Ų120.186%0.85977%0.774SS**  42.6141112.4-71.9172.6000123.5
65V27.1Very low30.7Very low130 Ų130120.7 Ų120.779%0.78877%0.773SS**  trans103.9109.8140.4158.30000120.6
66A28.9Very low30.5Very low102 Ų102121.3 Ų121.384%0.84377%0.772SS**  trans55144.6143.400000123.4
67G26.5Very low30.2Very low71 Ų71119.9 Ų119.973%0.73277%0.767SS**  134.556114.600000121.8
68A31.5Very low30.1Very low91 Ų91120.4 Ų120.475%0.75277%0.765SS**  trans58146.9140.400000123.7
69N32.9Very low30Very low148 Ų148118.7 Ų118.779%0.79175%0.753SS**  trans75.1114.5142.6-72.70.2000123.8
70S34.6Very low30.1Very low111 Ų111121.2 Ų121.278%0.77675%0.75SS**  trans77.9158.7133.9104.30000117.4
71S32.9Very low30.2Very low96 Ų96121.9 Ų121.967%0.67175%0.745SS**  cis-170.9-176-15.842.30000110.4
72V32.4Very low30.6Very low126 Ų126123.1 Ų123.176%0.76474%0.744SS**  trans72.5109.5168.7-168.20000114.4
73A33.3Very low30.8Very low84 Ų84125.5 Ų125.569%0.69475%0.753SS**  cis90.4116.724.800000116.8
74K31.7Very low30.9Very low192 Ų192119.4 Ų119.484%0.83574%0.743SS**  trans165.4119.2140.7-90.5160.1-176.6-178.90108
75T28.2Very low31Very low124 Ų124118.3 Ų118.376%0.76174%0.743SS**  cis69.289.549.974.50000115.5
76T28.7Very low31.2Very low136 Ų136116 Ų11683%0.83474%0.737SS**  -161.8127.5129.630.70000105.7
77A28.4Very low31.4Very low82 Ų82116.7 Ų116.768%0.67874%0.737SS**  59.3134.161.800000111.3
78T29.1Very low31.6Very low131 Ų131117.8 Ų117.880%0.80474%0.738SS**  cis-174.3165.27.720.30000105.4
79S29.3Very low31.4Very low80 Ų80118.8 Ų118.856%0.55974%0.735SS**  cis179.9-176.5-15.2177.80000107.7
80F31.2Very low31.2Very low164 Ų164117.5 Ų117.572%0.71973%0.733SS**  trans85.5107.4153.7-53.9-56.6000121.7
81N31.1Very low30.9Very low120 Ų120117.9 Ų117.964%0.64273%0.731SS**  90.7110.7113.7-68.42.5000122.7
82N35.4Very low30.6Very low133 Ų133119.1 Ų119.171%0.71173%0.734SS**  83.8102.7115.2-61.7-8.7000122.5
83N32.3Very low30.4Very low154 Ų154120.3 Ų120.382%0.82474%0.742SS**  86.8149.3106.6-159.725.5000121.1
84A34Very low30.3Very low68 Ų68121.9 Ų121.956%0.56275%0.748SS**  trans76.9103.6149.900000122.8
85T30.8Very low30.2Very low142 Ų142118 Ų11887%0.87175%0.745SS**  82.9145.7110.2-58.70000122.4
86A32.5Very low30.5Very low80 Ų80117.2 Ų117.266%0.66175%0.745SS**  trans89.5103.3156.800000122.3
87S31.8Very low30.6Very low118 Ų118116.1 Ų116.183%0.82574%0.743SS**  61.6147.2112.3-54.50000124.6
88A31Very low30.6Very low93 Ų93117.1 Ų117.177%0.76975%0.751SS**  trans81.4156.614700000120.5
89T28.2Very low30.7Very low113 Ų113117.3 Ų117.369%0.69375%0.752SS**  cis-171.1143.6-26.7-84.50000110.8
90T28.7Very low30.8Very low121 Ų121118 Ų11874%0.74276%0.755SS**  trans67.6166160.2520000124
91T27.4Very low30.9Very low118 Ų118118 Ų11872%0.72476%0.763SS**  trans70.8123.7166.856.50000117.3
92T28Very low30.7Very low122 Ų122115.9 Ų115.975%0.74877%0.77SS**  cis81.7108.233.572.40000116.6
93T26.7Very low30.3Very low152 Ų152113 Ų11393%0.93377%0.771SS**  -170.4164.5127.225.90000111.2
94S32.6Very low30.2Very low117 Ų117115.2 Ų115.282%0.81878%0.777SS**  trans-117.5151.3-176.4-46.30000112.2
95S29.7Very low29.9Very low110 Ų110116 Ų11677%0.76979%0.791SS**  trans-171.8135.3151.2-80.20000108.1
96S32.9Very low29.8Very low108 Ų108112.8 Ų112.876%0.75579%0.787SS**  cis65.1132.634.775.60000113.8
97S32.6Very low29.6Very low113 Ų113115.7 Ų115.779%0.7979%0.791SS**  cis-171161.54.542.70000110.9
98A28.2Very low29.5Very low102 Ų102118.9 Ų118.984%0.84379%0.793SS**  trans-148.6138.915400000111.1
99T30.1Very low29.5Very low135 Ų135119.2 Ų119.283%0.82879%0.789SS**  trans-120.5-175176.757.50000108.2
100C31.9Very low29.6Very low94 Ų94120 Ų12064%0.63580%0.8SS**  cis-165.6157.914.749.80000111.7
101N33.7Very low29.8Very low165 Ų165119.5 Ų119.588%0.88280%0.801SS**  trans62.1153.6151.6-55.5-5000120.3
102G27.2Very low29.8Very low76 Ų76120.1 Ų120.178%0.78481%0.81SS**  cis161.4148.7-11.500000114.8
103G26.5Very low30Very low72 Ų72119.5 Ų119.574%0.74281%0.811SS**  trans84.7161.1169.800000117.2
104E29.4Very low30.2Very low200 Ų200120.7 Ų120.794%0.93581%0.811SS**  cis-168.6149.1-22.4-135.3174.412900111.5
105G27.7Very low30Very low84 Ų84121.7 Ų121.787%0.86681%0.811SS**  trans78.6153.7172.700000116.9
106G28.4Very low30.1Very low76 Ų76123.6 Ų123.678%0.78482%0.818SS**  cis-170.1164.2-4.600000112.4
107D28.1Very low29.9Very low140 Ų140123.3 Ų123.375%0.74982%0.822SS**  trans-75166.7-171.2-56-93000116.3
108H30.8Very low29.6Very low186 Ų186122.5 Ų122.586%0.86182%0.822SS**  -179.1108.4125.5-76.9-24.6000108.4
109S31Very low29.6Very low99 Ų99122.1 Ų122.169%0.69282%0.819SS**  71.9111.868.4-58.70000115.6
110S30.2Very low29.6Very low130 Ų130122.4 Ų122.491%0.90982%0.82SS**  trans-159.5132.6145.3-82.60000110.1
111S31.8Very low29.5Very low111 Ų111122.3 Ų122.378%0.77683%0.827SS**  trans-120.3148.6-172.8-54.40000111
112S29.2Very low29.3Very low130 Ų130120.4 Ų120.491%0.90983%0.826SS**  trans-13590.7165.3-74.10000110.3
113S31.1Very low29.3Very low110 Ų110122.1 Ų122.177%0.76983%0.826SS**  trans-90.6130.4172.6-57.60000110
114L30Very low29.4Very low177 Ų177125.3 Ų125.393%0.92783%0.831SS**  trans-118.5132.9163.9-75.3176.9000110.1
115V30.1Very low29.5Very low137 Ų137122 Ų12283%0.8383%0.825SS**  trans-115.8118-178.3-75.20000110
116V30.4Very low29.8Very low151 Ų151123.9 Ų123.992%0.91583%0.825SS**  trans-141.1137.1163.8-176.50000107.8
117A28.5Very low30Very low101 Ų101129.3 Ų129.384%0.83583%0.827SS**  trans-111.4130.8-179.800000111.6
118A27.8Very low30.2Very low96 Ų96130.2 Ų130.279%0.79383%0.83SS**  trans-147.9118.3161.100000107.2
119A28.6Very low30.2Very low94 Ų94126.6 Ų126.678%0.77783%0.826SS**  8181.462.300000113.1
120V29.5Very low30.2Very low141 Ų141128.3 Ų128.386%0.85583%0.832SS**  trans6.2120154.5-71.60000120.7
121A30.3Very low30.2Very low93 Ų93126.6 Ų126.677%0.76983%0.826SS**  49.1123.3129.500000121.8
122S27.8Very low30.2Very low125 Ų125128 Ų12887%0.87483%0.829SS**  trans-165.4122.7131.8-88.80000114.4
123S27.1Very low30.2Very low112 Ų112130.4 Ų130.478%0.78383%0.827SS**  trans-161.186.9146.644.70000111.9
124T30Very low30.4Very low138 Ų138130.8 Ų130.885%0.84783%0.825SS**  trans38.2103.7145.1550000119.4
125T32Very low30.4Very low132 Ų132131.4 Ų131.481%0.8182%0.823SS**PPolyproline II helixtrans-88.3132.9157.355.10000110.8K127T125-K127 PolarHBondContact O-N 3.33Å
126S33Very low30.4Very low123 Ų123134 Ų13486%0.8682%0.823SS**PPolyproline II helixtrans-74.1119.7177.6-60.80000111.2
127K32.2Very low30.5Very low190 Ų190133.6 Ų133.683%0.82682%0.816SS**PPolyproline II helixtrans-83.8124.2172.3-64.8178.9-178.31760110.1T125T125-K127 PolarHBondContact O-N 3.33Å
128I32Very low30.7Very low159 Ų159135 Ų13582%0.81581%0.809SS**  trans-114.2126.4156.7-72.1178.5000107.2
129S30.9Very low31Very low110 Ų110136 Ų13677%0.76981%0.81SS**  trans-116.1131.6175.1-61.30000108.9
130T31.3Very low31.2Very low135 Ų135135.5 Ų135.583%0.82881%0.814SS**  trans-134.5126.9163.4-46.20000107.6
131A30.7Very low31.3Very low93 Ų93132.6 Ų132.677%0.76981%0.813SS**  trans-130.8141.8-175.500000110.7
132T31.2Very low31.3Very low140 Ų140131.6 Ų131.686%0.85981%0.812SS**  trans-15796170.710.50000111.1
133Q30.6Very low31.7Very low182 Ų182134.1 Ų134.185%0.8581%0.814SS**  trans-158.1116.3144.4-116.9-176.111.500113.1
134T34Very low31.9Very low118 Ų118134 Ų13472%0.72481%0.814SS**  trans33.593.9139.153.90000120.1
135Q30.8Very low32.9Very low190 Ų190133.1 Ų133.189%0.88881%0.811SS**  23.1126.3113.8-166.3171.825.400119.3
136F30.2Very low32.8Very low191 Ų191131.8 Ų131.884%0.83881%0.806SS**  trans-83.6150.2162.5-74.1-100000111.8
137N31.8Very low34.2Very low143 Ų143131.4 Ų131.477%0.76580%0.801SS**  -170.7168.1108.6-131.947.9000115.2
138N32.4Very low34.2Very low131 Ų131127.2 Ų127.270%0.70180%0.795SS**  trans82.5140.7156.2-93.952.9000122.1
139S34.3Very low34.2Very low116 Ų116127.1 Ų127.181%0.81180%0.797SS**  trans69106.8165-6.80000117.2
140G32.5Very low34.3Very low83 Ų83126.7 Ų126.786%0.85679%0.794SS**  trans-101.6163.516100000111.4
141G31.4Very low34.6Very low81 Ų81130.6 Ų130.684%0.83580%0.795SS**  trans169.776.4177.800000116.8
142G32Very low34.7Very low72 Ų72132.5 Ų132.574%0.74279%0.792SS**  trans85.9152.214500000120.9
143L35.6Very low34.8Very low177 Ų177131.8 Ų131.893%0.92779%0.788SS**  trans71.895.9148-49.9-174.5000120.5
144S31.6Very low35.2Very low110 Ų110128.1 Ų128.177%0.76978%0.782SS**  trans-56.4167.5134.5-99.60000111.8
145P51Low36.7Very low120 Ų120128.1 Ų128.178%0.77978%0.784SS**  cis-140177.225.842.2-23.8000118
146S29.5Very low38.6Very low103 Ų103124.4 Ų124.472%0.7278%0.777SS**  trans-77.2-162159.2-25.80000111.3
147P61.8Low39.8Very low115 Ų115121.3 Ų121.375%0.74778%0.776SS**  cis-132.6-165.6-25.739-20.8000112.6
148S31.9Very low39.9Very low102 Ų102117.9 Ų117.971%0.71377%0.774SS**  trans136.8126.1153.8-64.80000112
149N33.4Very low41Very low157 Ų157117.9 Ų117.984%0.8478%0.781SS**  57.5135.885-76.2-5.5000114
150S32.8Very low42.5Very low101 Ų101117.8 Ų117.871%0.70678%0.778SS**  cis-166.1170.415.627.50000113
151Y36.2Very low43.4Very low217 Ų217119.7 Ų119.785%0.85178%0.775SS**  trans11.8153147.7-68.7-99.3000121.2
152D34Very low44.4Very low134 Ų134121.5 Ų121.572%0.71777%0.772SS**  cis-179.9168.2-11-172.29.6000109.6
153T32.8Very low44.5Very low124 Ų124124.1 Ų124.176%0.76178%0.779SS**  trans75.9160.4164.4-20.20000120.4
154S40Very low44.4Very low105 Ų105120.5 Ų120.573%0.73478%0.775SS**  trans-135.3-157.7-168.8-31.50000111.7
155P65.7Low44.4Very low118 Ų118122.3 Ų122.377%0.76678%0.781SS**  -116.9-141.9-57.641.3-24.5000109.3
156P69.7Low43.8Very low113 Ų113124 Ų12473%0.73478%0.782SS**  cis-120.8-129.5-25.740.2-19.8000109.8
157P56.4Low44.7Very low126 Ų126125 Ų12582%0.81879%0.786SS**  cis-126.8-174.8-39.439.4-22.9000114.7
158G33.5Very low43.4Very low70 Ų70124 Ų12472%0.72278%0.782SS**  trans136.8131.5159.500000117
159P55.9Low44.3Very low131 Ų131124.7 Ų124.785%0.85178%0.784SS**  trans-119-158.3-175.748.9-37.7000114.1
160P64.1Low44.3Very low114 Ų114123.2 Ų123.274%0.7478%0.78SS**  -114.8-167.5-123.540.8-19.5000114
161P52.9Low44.2Very low123 Ų123122.5 Ų122.580%0.79978%0.781SS**  -153.9-144.78351.5-29.9000112.5
162P52.4Low43.9Very low120 Ų120120.3 Ų120.378%0.77978%0.783SS**  trans-130.1-167.6-144.436.9-10.8000116.5
163S33.4Very low43.7Very low127 Ų127120.3 Ų120.389%0.88879%0.788SS**  trans-136.7145165.6-76.10000112
164A33.4Very low43.5Very low101 Ų101118.3 Ų118.384%0.83578%0.784SS**  trans-140.8164.8176.700000110.8
165V32.5Very low43.1Very low148 Ų148122 Ų12290%0.89779%0.794SS**  trans-116141.3179.6-179.60000110.6
166L36.8Very low41.6Very low155 Ų155121.2 Ų121.281%0.81279%0.792SS**  trans-93.1176.6-174.7-77.4174.3000111.3
167P48.9Very low39.8Very low123 Ų123123.5 Ų123.580%0.79979%0.792SS**  cis-137.1175.117.341.5-22.6000118.4
168S34.2Very low38.7Very low96 Ų96124.4 Ų124.467%0.67179%0.79SS**  trans-97174.8166.5-174.10000110.3V170S168-V170 PolarHBondContact OG-N 3.41Å
169P50.8Low38.6Very low116 Ų116124.5 Ų124.575%0.75379%0.792SS**  -143.6138.199.934.6-18.8000117.2
170V33.7Very low37.4Very low125 Ų125129.3 Ų129.376%0.75879%0.793SS**  trans57.696.8132.6-175.60000117.6S168S168-V170 PolarHBondContact OG-N 3.41Å
171A30.3Very low35.9Very low86 Ų86130.1 Ų130.171%0.71179%0.791SS**  84.8142.59600000114.6
172L30.5Very low34.9Very low172 Ų172128.8 Ų128.890%0.90178%0.784SS**  -154.3-172.169-102.3171.4000115
173V29.4Very low34.2Very low134 Ų134130.8 Ų130.881%0.81279%0.788SS**  trans-91159-165.2173.40000114.1
174A29.9Very low34.1Very low82 Ų82129.6 Ų129.668%0.67879%0.785SS**  trans-65.7157.6179.400000116.1
175L31.2Very low34Very low182 Ų182129.5 Ų129.595%0.95378%0.784SS**  -157.9-171.4125.1-133.677.1000111.2
176S33.2Very low34Very low102 Ų102128.9 Ų128.971%0.71378%0.781SS**  trans-123.4167.7-173.4-1760000112.3
177Q32.1Very low34.6Very low160 Ų160126.8 Ų126.875%0.74878%0.777SS**  trans101.1117.9159.6-60.2-166.748.300121.5
178N32.8Very low33.8Very low145 Ų145129 Ų12978%0.77578%0.782SS**  84.3115.6128.6-62.6-12.2000124.3
179G31.9Very low33.6Very low73 Ų73127.7 Ų127.775%0.75378%0.784SS**  trans94.7145.4139.700000116.5
180R31Very low33.1Very low232 Ų232132 Ų13288%0.87579%0.791SS**  cis-143.9170.9-5.3-56.4-178.9167.396.9-1.9106.8
181D33.1Very low33.2Very low131 Ų131134.4 Ų134.470%0.70180%0.798SS**  cis-158.9156.830.3-120.7-61.9000112.7
182S31.2Very low33.4Very low94 Ų94135.3 Ų135.366%0.65780%0.799SS**  trans23.4132.6139.1-52.70000120.5
183L37.3Very low34.2Very low163 Ų163132.7 Ų132.785%0.85379%0.793SS**  cis-155.815932.4-69.7169.5000114
184A31.2Very low34.7Very low101 Ų101131.9 Ų131.984%0.83579%0.791SS**  trans36139.5144.100000122.4
185A31.9Very low35.1Very low99 Ų99139 Ų13982%0.81880%0.8SS**  cis-157.8173.7-1.800000112.2
186T32.6Very low35.5Very low135 Ų135141.5 Ų141.583%0.82880%0.798SS**  trans-94.7-176.9-179.258.40000111.3
187P49Very low35.8Very low112 Ų112142.4 Ų142.473%0.72780%0.801SS**  cis-139.5149.95.640.4-20.7000119.4
188N32.4Very low36Very low168 Ų168141.3 Ų141.390%0.89881%0.806SS**  22.3125.8124.7-16821.7000120.3
189G31.2Very low36Very low69 Ų69141.3 Ų141.371%0.71181%0.806SS**  trans159.5143154.800000118
190K39.4Very low36Very low206 Ų206142.7 Ų142.790%0.89680%0.804SS**  trans-54.6153.5170.7-57.2166.4175.3175.70113.2
191L35.4Very low36Very low176 Ų176136 Ų13692%0.92180%0.798SS**  -170.9167.3127.6-104.2164.9000113
192S33.8Very low36.2Very low105 Ų105134.7 Ų134.773%0.73481%0.805SS**PPolyproline II helixtrans-90.2168.9-173.5-610000113.6
193P47.6Very low36.2Very low118 Ų118135.4 Ų135.477%0.76682%0.817SS**PPolyproline II helixtrans-74.6148-162.4-19.732.8000117.4
194P41.4Very low36.2Very low117 Ų117133 Ų13376%0.7681%0.814SS**PPolyproline II helixtrans-78.5125.9151.233.1-29.5000109.5
195R37Very low36.3Very low232 Ų232139.9 Ų139.988%0.87582%0.818SS**  64.9101.373.8-68.7-74.5177.8109.8-4.6113
196Y39.1Very low36.6Very low234 Ų234139.1 Ų139.192%0.91881%0.811SS**PPolyproline II helixtrans-55.8146.4171.3-67.5-92000113.5
197P41Very low36.8Very low120 Ų120142.9 Ų142.978%0.77982%0.817SS**PPolyproline II helixtrans-99.9161.1149.135.5-28.9000112.3
198V35.4Very low36.2Very low138 Ų138141 Ų14184%0.83682%0.818SS**PPolyproline II helixtrans-88.2133.5-165.2168.90000114
199N33.1Very low36.4Very low145 Ų145139.7 Ų139.778%0.77581%0.805SS**  trans20.6124.3144.8-163.636.9000121
200S31.3Very low37Very low102 Ų102145.8 Ų145.871%0.71382%0.815SS**  134.4154.6120.7-157.40000116.8
201A32.5Very low37.1Very low90 Ų90140.6 Ų140.674%0.74481%0.81SS**  trans69.495.3162.500000120.9
202A35.5Very low37.7Very low105 Ų105134.4 Ų134.487%0.86878%0.784SS**  trans58.295130.500000121.4
203A31.4Very low38.1Very low108 Ų108136 Ų13689%0.89378%0.78SS**  trans-144.6129.5138.900000109.4
204S37.5Very low38.3Very low113 Ų113136.5 Ų136.579%0.7977%0.772SS**  trans-97.4130-168.944.50000113.8
205R34.4Very low38.8Very low246 Ų246135.2 Ų135.293%0.92876%0.759SS**  trans-169.996.3153.9-104.4149.1-168.7157.35.1113.4
206A37.1Very low39.5Very low82 Ų82130 Ų13068%0.67875%0.748SS**  trans41.1122.2135.700000121.8
207F38Very low41.2Very low215 Ų215121.7 Ų121.794%0.94372%0.719SS**  trans68.5141.7163.8-54.8-75.4000117.9
208G35.3Very low43Very low73 Ų73116.2 Ų116.275%0.75368%0.683SS**  cis-143.2142.91.600000112.8
209F36.2Very low45.3Very low140 Ų140113.4 Ų113.461%0.61466%0.664SS**  trans-142.5109177.9174.6-109.5000106.6A212 E213F209-A212 HydrophobicContact CE2-CB 4.3Å; F209-A212 HydrophobicContact CZ-CB 3.82Å; F209-E213 HydrophobicContact CD1-CG 4Å; F209-E213 WeakPolarHBondContact CD1-OE1 3.48Å; F209-E213 HydrophobicContact CE1-CG 3.55Å; F209-E213 WeakPolarHBondContact CE1-OE1 3.38Å
210E44Very low48Very low197 Ų197112.1 Ų112.192%0.92166%0.657SS**  trans-154.657.9-167.6-159.6170.4177.600110.5
211A41.3Very low50.6Low96 Ų96111.3 Ų111.379%0.79364%0.64SS**SBendtrans-151.7-10.8178.600000115.3
212A48.9Very low53.3Low47 Ų47107.1 Ų107.139%0.38861%0.606SS.*SBendtrans-126.8-13-173.400000114.9F209F209-A212 HydrophobicContact CE2-CB 4.3Å; F209-A212 HydrophobicContact CZ-CB 3.82Å
213E42.9Very low55.9Low138 Ų138106.4 Ų106.465%0.64558%0.584SS**Hα-helixtrans-82.9-29.8178.4-55.3-165.6165.700112.3F209 D217F209-E213 HydrophobicContact CD1-CG 4Å; F209-E213 WeakPolarHBondContact CD1-OE1 3.48Å; F209-E213 HydrophobicContact CE1-CG 3.55Å; F209-E213 WeakPolarHBondContact CE1-OE1 3.38Å; E213-D217 PolarHBondContact O-N 3.49Å
214E51.3Low58.7Low128 Ų128104.1 Ų104.160%0.59856%0.555SS**Hα-helixtrans-78.8-33.8-173.9-155.9-179.5-162.400113.7D217 V218E214-D217 PolarHBondContact O-N 2.84Å; E214-V218 WeakPolarHBondContact O-CG2 3.37Å; E214-V218 PolarHBondContact O-N 2.68Å
215D51.4Low61.2Low90 Ų9099.1 Ų99.148%0.48152%0.52SS..Hα-helixtrans-74.7-30.2-177.9-154.849.9000112.3V218 D219 R283D215-V218 PolarHBondContact O-N 2.92Å; D215-D219 PolarHBondContact O-N 3.12Å; D215-R283 VanDerWaalsContact CG-NH2 3.32Å; D215-R283 IonicContact OD1-CZ 3.52Å; D215-R283 IonicContact OD1-NH1 3.78Å; D215-R283 IonicContact OD1-NH2 2.66Å; D215-R283 PolarHBondContact OD1-NH2 3.48Å; D215-R283 IonicContact OD2-NH2 2.7Å; D215-R283 PolarHBondContact OD2-NH2 3.27Å
216L52Low63.8Low123 Ų12389.4 Ų89.464%0.64449%0.485SS*.Hα-helixtrans-67-47.1171.8-65.3174.7000111V218 D219 D220L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 2.77Å; L216-D219 PolarHBondContact O-N 3.45Å; L216-D220 PolarHBondContact O-N 3.04Å
217D74.7Confident66.3Low60 Ų6094.9 Ų94.932%0.32149%0.488SS..Hα-helixtrans-60.3-33.6175.416679.5000112.6E213 E214 K221E213-D217 PolarHBondContact O-N 3.49Å; E214-D217 PolarHBondContact O-N 2.84Å; D217-K221 VanDerWaalsContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CB 3.5Å; D217-K221 WeakPolarHBondContact O-CD 3.24Å; D217-K221 WeakPolarHBondContact O-CG 3.27Å; D217-K221 PolarHBondContact O-N 3.37Å; D217-K221 WeakPolarHBondContact OD1-CE 3.39Å; D217-K221 IonicContact OD1-NZ 2.91Å; D217-K221 PolarHBondContact OD1-NZ 2.77Å; D217-K221 WeakPolarHBondContact OD2-CE 3.49Å; D217-K221 IonicContact OD2-NZ 3.02Å; D217-K221 PolarHBondContact OD2-NZ 2.78Å
218V79.6Confident68.7Low4 Ų490.7 Ų90.72%0.02447%0.466CS..Hα-helixtrans-65.2-48.4174.3166.20000112E214 D215 L216 K221 V222 R283 I286 L287E214-V218 WeakPolarHBondContact O-CG2 3.37Å; E214-V218 PolarHBondContact O-N 2.68Å; D215-V218 PolarHBondContact O-N 2.92Å; L216-V218 VanDerWaalsContact C-N 3.27Å; L216-V218 PolarHBondContact O-N 2.77Å; V218-K221 PolarHBondContact O-N 3.37Å; V218-V222 WeakPolarHBondContact O-CG2 3.35Å; V218-V222 PolarHBondContact O-N 3.14Å; V218-R283 HydrophobicContact CG1-CG 3.7Å; V218-I286 HydrophobicContact CG1-CG2 4.39Å; V218-I286 HydrophobicContact CG2-CG2 4.18Å; V218-L287 HydrophobicContact CG1-CD2 4.45Å; V218-L287 HydrophobicContact CG1-CG 4.36Å; V218-L287 HydrophobicContact CG2-CD2 4.12Å
219D83.8Confident71.2Confident79 Ų7992.2 Ų92.242%0.42246%0.457SS..Hα-helixtrans-75.6-31.5-178.2-80.6-5.7000112.4D215 L216 K221 V222 E223 R283D215-D219 PolarHBondContact O-N 3.12Å; L216-D219 PolarHBondContact O-N 3.45Å; D219-K221 VanDerWaalsContact C-N 3.35Å; D219-K221 PolarHBondContact O-N 3.48Å; D219-V222 WeakPolarHBondContact O-CB 3.11Å; D219-V222 PolarHBondContact O-N 2.97Å; D219-V222 VanDerWaalsContact O-N 3.14Å; D219-E223 PolarHBondContact O-N 3Å; D219-R283 WeakPolarHBondContact OD1-CD 3.46Å; D219-R283 IonicContact OD1-CZ 2.65Å; D219-R283 IonicContact OD1-NE 2.6Å; D219-R283 PolarHBondContact OD1-NE 2.98Å; D219-R283 IonicContact OD1-NH2 2.74Å; D219-R283 IonicContact OD2-NE 3.9Å; D219-R283 IonicContact OD2-NH2 3.47Å
220D88.1Confident73.7Confident118 Ų11887 Ų8763%0.63144%0.438SS*.Hα-helixtrans-61.1-42.3167.8-84.3-19000111.6L216 V222 E223 E224L216-D220 PolarHBondContact O-N 3.04Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.24Å; D220-E223 PolarHBondContact O-N 3.02Å; D220-E224 PolarHBondContact O-N 3.28Å
221K86.3Confident75.7Confident85 Ų8581.2 Ų81.237%0.3742%0.419SS..Hα-helixtrans-65.3-32.2172.9-77.6168-179.4158.50112.4D217 V218 D219 L225 I286D217-K221 VanDerWaalsContact O-CB 3.27Å; D217-K221 WeakPolarHBondContact O-CB 3.5Å; D217-K221 WeakPolarHBondContact O-CD 3.24Å; D217-K221 WeakPolarHBondContact O-CG 3.27Å; D217-K221 PolarHBondContact O-N 3.37Å; D217-K221 WeakPolarHBondContact OD1-CE 3.39Å; D217-K221 IonicContact OD1-NZ 2.91Å; D217-K221 PolarHBondContact OD1-NZ 2.77Å; D217-K221 WeakPolarHBondContact OD2-CE 3.49Å; D217-K221 IonicContact OD2-NZ 3.02Å; D217-K221 PolarHBondContact OD2-NZ 2.78Å; V218-K221 PolarHBondContact O-N 3.37Å; D219-K221 VanDerWaalsContact C-N 3.35Å; D219-K221 PolarHBondContact O-N 3.48Å; K221-L225 WeakPolarHBondContact O-CB 3.33Å; K221-L225 WeakPolarHBondContact O-CG 3.46Å; K221-L225 PolarHBondContact O-N 3.17Å; K221-I286 VanDerWaalsContact C-CD1 3.44Å; K221-I286 HydrophobicContact CB-CD1 3.57Å; K221-I286 HydrophobicContact CB-CG1 4.24Å; K221-I286 HydrophobicContact CB-CG2 4.39Å; K221-I286 HydrophobicContact CD-CG2 4.29Å
222V90.1Very high78Confident3 Ų382.2 Ų82.22%0.01841%0.411CS..Hα-helixtrans-64-45.6172.1169.20000110.2V218 D219 D220 L225 M226 R279 R283 I286V218-V222 WeakPolarHBondContact O-CG2 3.35Å; V218-V222 PolarHBondContact O-N 3.14Å; D219-V222 WeakPolarHBondContact O-CB 3.11Å; D219-V222 PolarHBondContact O-N 2.97Å; D219-V222 VanDerWaalsContact O-N 3.14Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.24Å; V222-L225 CarbonylContact O-C 3.59Å; V222-L225 WeakPolarHBondContact O-CB 3.44Å; V222-L225 PolarHBondContact O-N 3.13Å; V222-M226 HydrophobicContact CG1-CG 4.44Å; V222-M226 WeakPolarHBondContact O-CG 3.25Å; V222-M226 PolarHBondContact O-N 2.91Å; V222-R279 HydrophobicContact CG1-CB 3.88Å; V222-R279 HydrophobicContact CG1-CG 3.72Å; V222-R283 HydrophobicContact CG2-CB 3.72Å; V222-R283 HydrophobicContact CG2-CG 4.09Å; V222-I286 HydrophobicContact CB-CD1 4.32Å; V222-I286 HydrophobicContact CG2-CD1 3.59Å
223E89.4Confident80Confident89 Ų8980.1 Ų80.142%0.41639%0.393SS..Hα-helixtrans-70.9-35.8-176.4-156.158-145.300112.3D219 D220 L225 M226 R227 R279D219-E223 PolarHBondContact O-N 3Å; D220-E223 PolarHBondContact O-N 3.02Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.24Å; E223-M226 CarbonylContact O-C 3.59Å; E223-M226 WeakPolarHBondContact O-CA 3.12Å; E223-M226 VanDerWaalsContact O-CB 3.32Å; E223-M226 WeakPolarHBondContact O-CB 3.49Å; E223-M226 PolarHBondContact O-N 3.26Å; E223-M226 VanDerWaalsContact O-N 3.07Å; E223-R227 WeakPolarHBondContact O-CB 3.16Å; E223-R227 PolarHBondContact O-N 3.44Å; E223-R279 VanDerWaalsContact CD-NH2 3.27Å; E223-R279 IonicContact OE1-CZ 3.72Å; E223-R279 IonicContact OE1-NH2 3.78Å; E223-R279 PolarHBondContact OE1-NH2 3.11Å; E223-R279 IonicContact OE2-CZ 3.39Å; E223-R279 IonicContact OE2-NE 2.68Å; E223-R279 PolarHBondContact OE2-NE 3.33Å; E223-R279 IonicContact OE2-NH2 2.72Å; E223-R279 PolarHBondContact OE2-NH2 3.39Å
224E90.4Very high82.3Confident61 Ų6175 Ų7529%0.28537%0.369SS..Hα-helixtrans-68.2-30.4170171.262.3-17400112.4D220 M226 R227 R228D220-E224 PolarHBondContact O-N 3.28Å; E224-M226 VanDerWaalsContact C-N 3.33Å; E224-R227 PolarHBondContact O-N 3.05Å; E224-R227 IonicContact OE2-CZ 3.73Å; E224-R227 IonicContact OE2-NE 3.46Å; E224-R227 PolarHBondContact OE2-NE 2.68Å; E224-R227 IonicContact OE2-NH2 2.74Å; E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.89Å; E224-R228 VanDerWaalsContact O-N 3.13Å; E224-R228 IonicContact OE1-CZ 3.34Å; E224-R228 IonicContact OE1-NE 3.69Å; E224-R228 PolarHBondContact OE1-NE 2.72Å; E224-R228 IonicContact OE1-NH2 3.63Å; E224-R228 PolarHBondContact OE1-NH2 3.43Å
225L89.8Confident84.2Confident8 Ų873.4 Ų73.44%0.04236%0.361CS..Hα-helixtrans-70.6-25.9166.9-75.8-178.5000113.3K221 V222 E223 V233 Y282 Y285 I286K221-L225 WeakPolarHBondContact O-CB 3.33Å; K221-L225 WeakPolarHBondContact O-CG 3.46Å; K221-L225 PolarHBondContact O-N 3.17Å; V222-L225 CarbonylContact O-C 3.59Å; V222-L225 WeakPolarHBondContact O-CB 3.44Å; V222-L225 PolarHBondContact O-N 3.13Å; E223-L225 VanDerWaalsContact C-N 3.35Å; E223-L225 PolarHBondContact O-N 3.24Å; L225-V233 HydrophobicContact CD2-CG1 4.17Å; L225-V233 HydrophobicContact CD2-CG2 3.96Å; L225-Y282 HydrophobicContact CB-CD2 3.6Å; L225-Y282 HydrophobicContact CB-CE2 3.97Å; L225-Y282 HydrophobicContact CB-CG 4.15Å; L225-Y282 HydrophobicContact CD1-CG 4.28Å; L225-Y282 VanDerWaalsContact O-CE2 3.24Å; L225-Y282 WeakPolarHBondContact O-CE2 3.44Å; L225-Y285 HydrophobicContact CD1-CD1 3.82Å; L225-Y285 HydrophobicContact CD1-CE1 4.15Å; L225-I286 HydrophobicContact CD1-CD1 3.75Å; L225-I286 HydrophobicContact CD1-CG1 3.87Å
226M88.4Confident86.2Confident42 Ų4272.9 Ų72.921%0.20736%0.356CS..Hα-helixtrans-73.2-29.7170.5-69.5-66.1-62.700112.1V222 E223 E224 E275 K278 R279 Y282V222-M226 HydrophobicContact CG1-CG 4.44Å; V222-M226 WeakPolarHBondContact O-CG 3.25Å; V222-M226 PolarHBondContact O-N 2.91Å; E223-M226 CarbonylContact O-C 3.59Å; E223-M226 WeakPolarHBondContact O-CA 3.12Å; E223-M226 VanDerWaalsContact O-CB 3.32Å; E223-M226 WeakPolarHBondContact O-CB 3.49Å; E223-M226 PolarHBondContact O-N 3.26Å; E223-M226 VanDerWaalsContact O-N 3.07Å; E224-M226 VanDerWaalsContact C-N 3.33Å; M226-E275 HydrophobicContact CE-CG 3.38Å; M226-K278 HydrophobicContact CE-CB 4.2Å; M226-K278 HydrophobicContact CE-CD 4.02Å; M226-K278 HydrophobicContact SD-CB 3.48Å; M226-K278 WeakPolarHBondContact SD-CB 3.18Å; M226-K278 HydrophobicContact SD-CD 3.95Å; M226-K278 HydrophobicContact SD-CG 4.4Å; M226-R279 HydrophobicContact CG-CG 4.02Å; M226-R279 HydrophobicContact SD-CG 3.99Å; M226-Y282 HydrophobicContact CG-CD2 4.12Å; M226-Y282 HydrophobicContact CG-CE2 4.23Å; M226-Y282 HydrophobicContact SD-CD2 3.78Å; M226-Y282 HydrophobicContact SD-CE2 3.6Å
227R90.1Very high88Confident196 Ų19667 Ų6774%0.7433%0.325SS*.Hα-helixtrans-83.1-21.1179.9-148.6-177.375.687.33.2114.3E223 E224E223-R227 WeakPolarHBondContact O-CB 3.16Å; E223-R227 PolarHBondContact O-N 3.44Å; E224-R227 PolarHBondContact O-N 3.05Å; E224-R227 IonicContact OE2-CZ 3.73Å; E224-R227 IonicContact OE2-NE 3.46Å; E224-R227 PolarHBondContact OE2-NE 2.68Å; E224-R227 IonicContact OE2-NH2 2.74Å
228R89.7Confident88.8Confident128 Ų12867.9 Ų67.948%0.48333%0.326SS..SBendtrans-80.5160.8177.2-76.7170.6-170.3165.86.3113.1E224 S230 V233E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.89Å; E224-R228 VanDerWaalsContact O-N 3.13Å; E224-R228 IonicContact OE1-CZ 3.34Å; E224-R228 IonicContact OE1-NE 3.69Å; E224-R228 PolarHBondContact OE1-NE 2.72Å; E224-R228 IonicContact OE1-NH2 3.63Å; E224-R228 PolarHBondContact OE1-NH2 3.43Å; R228-S230 PolarHBondContact O-N 2.94Å; R228-S230 VanDerWaalsContact O-N 3.09Å; R228-V233 HydrophobicContact CB-CG2 3.91Å
229D87.1Confident89.3Confident105 Ų10570 Ų7056%0.56134%0.344SS*.  trans-54.4115.1176.3-71.1-64000112.1S231 L232 V233D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 VanDerWaalsContact O-N 3.09Å; D229-L232 HydrophobicContact CB-CB 4.19Å; D229-L232 HydrophobicContact CB-CD1 4.01Å; D229-L232 HydrophobicContact CB-CG 3.91Å; D229-L232 PolarHBondContact O-N 3.07Å; D229-V233 PolarHBondContact O-N 2.94Å
230S87.5Confident89.7Confident29 Ų2967.3 Ų67.320%0.20333%0.329CS..Hα-helixtrans-63.7-19.6-176.7-165.40000112.7R228 K234R228-S230 PolarHBondContact O-N 2.94Å; R228-S230 VanDerWaalsContact O-N 3.09Å; S230-K234 WeakPolarHBondContact O-CB 3.34Å; S230-K234 VanDerWaalsContact O-CD 3.25Å; S230-K234 WeakPolarHBondContact O-CD 3.48Å; S230-K234 WeakPolarHBondContact O-CE 3.45Å; S230-K234 WeakPolarHBondContact O-CG 3.38Å; S230-K234 PolarHBondContact O-N 3.15Å; S230-K234 VanDerWaalsContact O-N 3.14Å; S230-K234 WeakPolarHBondContact OG-CE 3.24Å
231S87.4Confident89.7Confident76 Ų7662.3 Ų62.353%0.53130%0.302SS..Hα-helixtrans-69.5-51.2169.3460000112.3D229 V233 K234 E235D229-S231 PolarHBondContact O-N 3.44Å; D229-S231 VanDerWaalsContact O-N 3.09Å; S231-V233 PolarHBondContact O-N 2.87Å; S231-K234 WeakPolarHBondContact O-CB 3.31Å; S231-K234 PolarHBondContact O-N 3.43Å; S231-E235 PolarHBondContact O-N 3.26Å
232L89.4Confident89.7Confident118 Ų11860.6 Ų60.662%0.61831%0.309SS*.Hα-helixtrans-62.3-44178.6-61.9-177.9000111.1D229 K234 E235 E236D229-L232 HydrophobicContact CB-CB 4.19Å; D229-L232 HydrophobicContact CB-CD1 4.01Å; D229-L232 HydrophobicContact CB-CG 3.91Å; D229-L232 PolarHBondContact O-N 3.07Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.88Å; L232-E235 PolarHBondContact O-N 3.08Å; L232-E236 WeakPolarHBondContact O-CB 3.47Å; L232-E236 PolarHBondContact O-N 3.01Å
233V91.4Very high89.7Confident3 Ų367.3 Ų67.32%0.01834%0.344CS..Hα-helixtrans-64.7-34.9176.6179.40000111.8L225 R228 D229 S231 I237 Y282L225-V233 HydrophobicContact CD2-CG1 4.17Å; L225-V233 HydrophobicContact CD2-CG2 3.96Å; R228-V233 HydrophobicContact CB-CG2 3.91Å; D229-V233 PolarHBondContact O-N 2.94Å; S231-V233 PolarHBondContact O-N 2.87Å; V233-I237 HydrophobicContact CG1-CD1 3.71Å; V233-I237 HydrophobicContact CG1-CG1 4.35Å; V233-I237 WeakPolarHBondContact O-CG1 3.3Å; V233-I237 PolarHBondContact O-N 3.31Å; V233-Y282 HydrophobicContact CG1-CD1 4.34Å; V233-Y282 HydrophobicContact CG1-CE1 3.64Å; V233-Y282 HydrophobicContact CG1-CE2 4.42Å
234K90.9Very high89.4Confident29 Ų2967.5 Ų67.513%0.12634%0.341CS..Hα-helixtrans-63.4-49.5173-81166.2-146.1-1680111.6S230 S231 L232 I237 K238 W265 S271 D272S230-K234 WeakPolarHBondContact O-CB 3.34Å; S230-K234 VanDerWaalsContact O-CD 3.25Å; S230-K234 WeakPolarHBondContact O-CD 3.48Å; S230-K234 WeakPolarHBondContact O-CE 3.45Å; S230-K234 WeakPolarHBondContact O-CG 3.38Å; S230-K234 PolarHBondContact O-N 3.15Å; S230-K234 VanDerWaalsContact O-N 3.14Å; S230-K234 WeakPolarHBondContact OG-CE 3.24Å; S231-K234 WeakPolarHBondContact O-CB 3.31Å; S231-K234 PolarHBondContact O-N 3.43Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.88Å; K234-I237 PolarHBondContact O-N 3.13Å; K234-K238 WeakPolarHBondContact O-CB 3.32Å; K234-K238 PolarHBondContact O-N 2.96Å; K234-W265 HydrophobicContact CD-CD2 4.47Å; K234-W265 HydrophobicContact CD-CZ2 4.06Å; K234-W265 VanDerWaalsContact CE-CE2 3.45Å; K234-W265 HydrophobicContact CG-CD2 4.26Å; K234-W265 HydrophobicContact CG-CE3 4.39Å; K234-W265 HydrophobicContact CG-CH2 3.6Å; K234-W265 HydrophobicContact CG-CZ2 3.47Å; K234-W265 VanDerWaalsContact CG-CZ2 3.47Å; K234-W265 HydrophobicContact CG-CZ3 4.07Å; K234-S271 PolarHBondContact NZ-O 3.36Å; K234-D272 IonicContact NZ-OD1 3.02Å; K234-D272 PolarHBondContact NZ-OD1 3.4Å
235E90.9Very high89.2Confident96 Ų9675.5 Ų75.545%0.44937%0.369SS..Hα-helixtrans-68.3-36.2-179.4-65.3-58.612300112.2S231 L232 K238 A239S231-E235 PolarHBondContact O-N 3.26Å; L232-E235 PolarHBondContact O-N 3.08Å; E235-K238 PolarHBondContact O-N 3.09Å; E235-K238 VanDerWaalsContact OE1-CD 3.31Å; E235-K238 WeakPolarHBondContact OE1-CD 3.44Å; E235-K238 IonicContact OE1-NZ 2.61Å; E235-K238 PolarHBondContact OE1-NZ 2.88Å; E235-K238 WeakPolarHBondContact OE2-CD 3.5Å; E235-K238 IonicContact OE2-NZ 2.8Å; E235-K238 PolarHBondContact OE2-NZ 3.07Å; E235-A239 WeakPolarHBondContact O-CB 3.32Å; E235-A239 PolarHBondContact O-N 3.13Å
236E92.6Very high89Confident79 Ų7976.2 Ų76.237%0.36937%0.372SS..Hα-helixtrans-60.8-48.5173.1-168.9-172.3-174.600111.5L232 A239 F240 Y285 K289L232-E236 WeakPolarHBondContact O-CB 3.47Å; L232-E236 PolarHBondContact O-N 3.01Å; E236-A239 PolarHBondContact O-N 3.33Å; E236-F240 WeakPolarHBondContact O-CB 3.4Å; E236-F240 PolarHBondContact O-N 2.78Å; E236-Y285 WeakPolarHBondContact CG-OH 3.36Å; E236-Y285 PolarHBondContact OE1-OH 3.37Å; E236-K289 IonicContact OE1-NZ 2.73Å; E236-K289 PolarHBondContact OE1-NZ 2.85Å
237I90.9Very high88.9Confident0 Ų077.1 Ų77.10%038%0.383CS..Hα-helixtrans-70.7-36.6-179.9-57.5167.6000111V233 K234 F240 L241 F281 Y282 Y285V233-I237 HydrophobicContact CG1-CD1 3.71Å; V233-I237 HydrophobicContact CG1-CG1 4.35Å; V233-I237 WeakPolarHBondContact O-CG1 3.3Å; V233-I237 PolarHBondContact O-N 3.31Å; K234-I237 PolarHBondContact O-N 3.13Å; I237-F240 WeakPolarHBondContact O-CB 3.31Å; I237-F240 PolarHBondContact O-N 3.13Å; I237-L241 HydrophobicContact CG2-CD1 4.24Å; I237-L241 HydrophobicContact CG2-CG 4.24Å; I237-L241 WeakPolarHBondContact O-CB 3.1Å; I237-L241 VanDerWaalsContact O-CG 3.25Å; I237-L241 WeakPolarHBondContact O-CG 3.37Å; I237-L241 PolarHBondContact O-N 2.72Å; I237-F281 HydrophobicContact CB-CE1 4.41Å; I237-F281 HydrophobicContact CD1-CD1 4.13Å; I237-F281 HydrophobicContact CD1-CE1 3.94Å; I237-F281 HydrophobicContact CG2-CE1 3.65Å; I237-F281 HydrophobicContact CG2-CZ 4.1Å; I237-Y282 HydrophobicContact CD1-CD1 3.95Å; I237-Y282 HydrophobicContact CD1-CE1 3.98Å; I237-Y285 HydrophobicContact CB-CD2 4.35Å; I237-Y285 HydrophobicContact CB-CE2 4.4Å; I237-Y285 HydrophobicContact CD1-CD1 3.94Å; I237-Y285 HydrophobicContact CD1-CD2 4.44Å; I237-Y285 HydrophobicContact CD1-CE1 4.4Å; I237-Y285 HydrophobicContact CD1-CG 3.95Å; I237-Y285 HydrophobicContact CG1-CD1 3.78Å; I237-Y285 HydrophobicContact CG1-CD2 3.75Å; I237-Y285 HydrophobicContact CG1-CE1 3.86Å; I237-Y285 HydrophobicContact CG1-CE2 3.81Å; I237-Y285 HydrophobicContact CG1-CG 3.72Å; I237-Y285 HydrophobicContact CG2-CD2 3.98Å; I237-Y285 HydrophobicContact CG2-CE2 4.4Å; I237-Y285 HydrophobicContact CG2-CG 4.44Å
238K90.4Very high88.9Confident77 Ų7770 Ų7034%0.33536%0.358SS..Hα-helixtrans-59.8-45.1174-178-177.3172.5-161.30111.6K234 E235 G242 L266K234-K238 WeakPolarHBondContact O-CB 3.32Å; K234-K238 PolarHBondContact O-N 2.96Å; E235-K238 PolarHBondContact O-N 3.09Å; E235-K238 VanDerWaalsContact OE1-CD 3.31Å; E235-K238 WeakPolarHBondContact OE1-CD 3.44Å; E235-K238 IonicContact OE1-NZ 2.61Å; E235-K238 PolarHBondContact OE1-NZ 2.88Å; E235-K238 WeakPolarHBondContact OE2-CD 3.5Å; E235-K238 IonicContact OE2-NZ 2.8Å; E235-K238 PolarHBondContact OE2-NZ 3.07Å; K238-G242 PolarHBondContact O-N 2.93Å; K238-G242 VanDerWaalsContact O-N 3.13Å; K238-L266 HydrophobicContact CB-CD2 4.24Å
239A90.3Very high88.8Confident49 Ų4966.8 Ų66.841%0.40536%0.359SS..Hα-helixtrans-64.6-43.2173.100000111.9E235 E236 L241 G242 N243E235-A239 WeakPolarHBondContact O-CB 3.32Å; E235-A239 PolarHBondContact O-N 3.13Å; E236-A239 PolarHBondContact O-N 3.33Å; A239-L241 PolarHBondContact O-N 2.94Å; A239-G242 PolarHBondContact O-N 2.91Å; A239-N243 WeakPolarHBondContact O-CB 3.36Å; A239-N243 PolarHBondContact O-N 2.78Å; A239-N243 PolarHBondContact O-OD1 2.95Å
240F91.6Very high88.8Confident23 Ų2363.8 Ų63.810%0.10135%0.345CS..Hα-helixtrans-59-45.1176.1177-95000112.8E236 I237 G242 N243 R244 I246 W284 Y285 E288 K289E236-F240 WeakPolarHBondContact O-CB 3.4Å; E236-F240 PolarHBondContact O-N 2.78Å; I237-F240 WeakPolarHBondContact O-CB 3.31Å; I237-F240 PolarHBondContact O-N 3.13Å; F240-G242 PolarHBondContact O-N 3.2Å; F240-N243 PolarHBondContact O-N 3.03Å; F240-R244 VanDerWaalsContact CE2-CZ 3.48Å; F240-R244 WeakPolarHBondContact O-CB 3.36Å; F240-R244 PolarHBondContact O-N 3.46Å; F240-I246 HydrophobicContact CE1-CD1 3.95Å; F240-W284 HydrophobicContact CE1-CH2 4.28Å; F240-Y285 HydrophobicContact CB-CE2 3.88Å; F240-Y285 AromaticContact CD1-CD2 3.85Å; F240-Y285 HydrophobicContact CD1-CD2 3.85Å; F240-Y285 AromaticContact CD1-CE2 3.73Å; F240-Y285 HydrophobicContact CD1-CE2 3.73Å; F240-Y285 AromaticContact CD2-CE2 3.87Å; F240-Y285 HydrophobicContact CD2-CE2 3.87Å; F240-Y285 AromaticContact CE1-CD2 3.97Å; F240-Y285 HydrophobicContact CE1-CD2 3.97Å; F240-Y285 HydrophobicContact CE1-CE2 4.12Å; F240-Y285 HydrophobicContact CE2-CE2 4.23Å; F240-Y285 HydrophobicContact CG-CD2 4.2Å; F240-Y285 AromaticContact CG-CE2 3.59Å; F240-Y285 HydrophobicContact CG-CE2 3.59Å; F240-Y285 HydrophobicContact CZ-CD2 4.41Å; F240-Y285 HydrophobicContact CZ-CE2 4.34Å; F240-E288 HydrophobicContact CE1-CB 4.35Å; F240-E288 HydrophobicContact CE1-CG 4.04Å; F240-E288 HydrophobicContact CZ-CB 4.23Å; F240-E288 HydrophobicContact CZ-CG 4Å; F240-K289 HydrophobicContact CE2-CB 4.09Å; F240-K289 HydrophobicContact CE2-CG 4.19Å; F240-K289 HydrophobicContact CZ-CB 4.26Å
241L89.9Confident88.8Confident13 Ų1362.4 Ų62.47%0.06834%0.335CS..Hα-helixtrans-61.7-41.9176.1-69.5173.4000111.7I237 A239 R245 I246 V251 L266 W284I237-L241 HydrophobicContact CG2-CD1 4.24Å; I237-L241 HydrophobicContact CG2-CG 4.24Å; I237-L241 WeakPolarHBondContact O-CB 3.1Å; I237-L241 VanDerWaalsContact O-CG 3.25Å; I237-L241 WeakPolarHBondContact O-CG 3.37Å; I237-L241 PolarHBondContact O-N 2.72Å; A239-L241 PolarHBondContact O-N 2.94Å; L241-R245 CarbonylContact O-C 3.57Å; L241-R245 WeakPolarHBondContact O-CA 3.38Å; L241-R245 PolarHBondContact O-N 3.5Å; L241-I246 HydrophobicContact CD2-CB 3.78Å; L241-I246 HydrophobicContact CD2-CG2 3.77Å; L241-I246 PolarHBondContact O-N 2.68Å; L241-V251 HydrophobicContact CD2-CG2 3.7Å; L241-L266 HydrophobicContact CD1-CD1 3.62Å; L241-W284 HydrophobicContact CD2-CH2 3.65Å; L241-W284 HydrophobicContact CD2-CZ3 4.1Å
242G86.1Confident89Confident49 Ų4959.6 Ų59.651%0.50532%0.316SS..Hα-helixtrans-62.7-54.3174.200000112.4K238 A239 F240 R244 R245K238-G242 PolarHBondContact O-N 2.93Å; K238-G242 VanDerWaalsContact O-N 3.13Å; A239-G242 PolarHBondContact O-N 2.91Å; F240-G242 PolarHBondContact O-N 3.2Å; G242-R244 PolarHBondContact O-N 2.68Å; G242-R245 PolarHBondContact O-N 3.36Å
243N89.7Confident88.7Confident143 Ų14360 Ų6077%0.76532%0.315SS*.Hα-helixtrans-63.1-40.6-175-69.44.7000112.5A239 F240 R245A239-N243 WeakPolarHBondContact O-CB 3.36Å; A239-N243 PolarHBondContact O-N 2.78Å; A239-N243 PolarHBondContact O-OD1 2.95Å; F240-N243 PolarHBondContact O-N 3.03Å; N243-R245 VanDerWaalsContact C-N 3.33Å
244R83.1Confident88.4Confident94 Ų9462.8 Ų62.836%0.35533%0.332SS..THydrogen-bonded Turntrans-87.22.6174.8-66.2-165177.3-1749.8114.1F240 G242 I246 E288 K289F240-R244 VanDerWaalsContact CE2-CZ 3.48Å; F240-R244 WeakPolarHBondContact O-CB 3.36Å; F240-R244 PolarHBondContact O-N 3.46Å; G242-R244 PolarHBondContact O-N 2.68Å; R244-I246 HydrophobicContact CB-CD1 3.81Å; R244-I246 HydrophobicContact CB-CG1 3.8Å; R244-I246 PolarHBondContact O-N 2.87Å; R244-E288 PolarHBondContact NH1-O 2.97Å; R244-K289 PolarHBondContact NH2-O 3.19Å
245R85.9Confident88.2Confident229 Ų22962.5 Ų62.586%0.86433%0.333SS*.THydrogen-bonded Turntrans53.529.2-177.2-57.1-175.4174.9-156.3-2.3114.2L241 G242 N243 S247L241-R245 CarbonylContact O-C 3.57Å; L241-R245 WeakPolarHBondContact O-CA 3.38Å; L241-R245 PolarHBondContact O-N 3.5Å; G242-R245 PolarHBondContact O-N 3.36Å; N243-R245 VanDerWaalsContact C-N 3.33Å; R245-S247 PolarHBondContact O-N 2.7Å
246I85Confident87.9Confident22 Ų2261.2 Ų61.211%0.11335%0.345CS..  trans-78.1112.2-178.5-60.7172.9000108.7F240 L241 R244 V250 V251 W284 E288F240-I246 HydrophobicContact CE1-CD1 3.95Å; L241-I246 HydrophobicContact CD2-CB 3.78Å; L241-I246 HydrophobicContact CD2-CG2 3.77Å; L241-I246 PolarHBondContact O-N 2.68Å; R244-I246 HydrophobicContact CB-CD1 3.81Å; R244-I246 HydrophobicContact CB-CG1 3.8Å; R244-I246 PolarHBondContact O-N 2.87Å; I246-V250 HydrophobicContact CG2-CB 4.44Å; I246-V250 HydrophobicContact CG2-CG1 4.27Å; I246-V251 HydrophobicContact CG2-CG2 3.74Å; I246-W284 HydrophobicContact CD1-CH2 4.38Å; I246-W284 HydrophobicContact CD1-CZ2 4.36Å; I246-W284 HydrophobicContact CG2-CH2 4.22Å; I246-W284 HydrophobicContact CG2-CZ2 4.15Å; I246-E288 HydrophobicContact CD1-CG 3.92Å
247S87.9Confident87.8Confident62 Ų6257.8 Ų57.843%0.43433%0.329SS..  trans-67.3140.8177760000111.6R245 A249 V250 V251R245-S247 PolarHBondContact O-N 2.7Å; S247-A249 PolarHBondContact O-N 2.86Å; S247-V250 WeakPolarHBondContact O-CB 3.48Å; S247-V250 PolarHBondContact O-N 3.38Å; S247-V250 PolarHBondContact OG-N 3.44Å; S247-V251 PolarHBondContact O-N 2.96Å
248Q89.3Confident87.8Confident45 Ų4561 Ų6121%0.2135%0.352CS..Hα-helixtrans-56.6-22.1174.3-61.4169.6-9.100113.1A252 Q259 I262 S263 L266Q248-A252 VanDerWaalsContact O-CB 3.24Å; Q248-A252 WeakPolarHBondContact O-CB 3.42Å; Q248-A252 PolarHBondContact O-N 3.27Å; Q248-Q259 HydrophobicContact CB-CG 3.8Å; Q248-I262 HydrophobicContact CB-CG2 4.27Å; Q248-I262 HydrophobicContact CG-CG2 4.15Å; Q248-S263 PolarHBondContact OE1-OG 3.09Å; Q248-L266 HydrophobicContact CG-CD1 4.37Å
249A86.9Confident87.8Confident62 Ų6261.2 Ų61.251%0.51235%0.354SS..Hα-helixtrans-71-33.2175.800000112.9S247 Q253 Q259S247-A249 PolarHBondContact O-N 2.86Å; A249-Q253 PolarHBondContact O-N 3.16Å; A249-Q259 HydrophobicContact CB-CG 4.42Å
250V86.9Confident87.9Confident42 Ų4262.6 Ų62.626%0.25536%0.36SS..Hα-helixtrans-65.7-51.8170.2162.90000109.7I246 S247 A252 Q253 V254 L296I246-V250 HydrophobicContact CG2-CB 4.44Å; I246-V250 HydrophobicContact CG2-CG1 4.27Å; S247-V250 WeakPolarHBondContact O-CB 3.48Å; S247-V250 PolarHBondContact O-N 3.38Å; S247-V250 PolarHBondContact OG-N 3.44Å; V250-A252 PolarHBondContact O-N 3.22Å; V250-Q253 WeakPolarHBondContact O-CB 3.21Å; V250-Q253 PolarHBondContact O-N 3.42Å; V250-V254 PolarHBondContact O-N 3.15Å; V250-V254 VanDerWaalsContact O-N 3.15Å; V250-L296 HydrophobicContact CG1-CD1 4.26Å; V250-L296 HydrophobicContact CG1-CD2 3.6Å; V250-L296 HydrophobicContact CG1-CG 4.11Å; V250-L296 HydrophobicContact CG2-CD2 4.5Å
251V88.6Confident87.9Confident0 Ų065.9 Ų65.90%037%0.372CS..Hα-helixtrans-59.1-39.3-179.5-1670000111.3L241 I246 S247 Q253 V254 T255 I262 F281 W284L241-V251 HydrophobicContact CD2-CG2 3.7Å; I246-V251 HydrophobicContact CG2-CG2 3.74Å; S247-V251 PolarHBondContact O-N 2.96Å; V251-Q253 VanDerWaalsContact C-N 3.31Å; V251-Q253 PolarHBondContact O-N 3.39Å; V251-V254 PolarHBondContact O-N 3.48Å; V251-T255 HydrophobicContact CG1-CG2 3.84Å; V251-T255 WeakPolarHBondContact O-CB 3.37Å; V251-T255 WeakPolarHBondContact O-CG2 3.43Å; V251-T255 PolarHBondContact O-N 3.15Å; V251-T255 PolarHBondContact O-OG1 3.29Å; V251-I262 HydrophobicContact CB-CD1 4.23Å; V251-I262 HydrophobicContact CG1-CD1 4.24Å; V251-F281 HydrophobicContact CB-CE2 4.46Å; V251-F281 HydrophobicContact CG1-CD2 3.82Å; V251-F281 HydrophobicContact CG1-CE2 3.41Å; V251-F281 VanDerWaalsContact CG1-CE2 3.41Å; V251-F281 HydrophobicContact CG1-CZ 4.27Å; V251-W284 HydrophobicContact CB-CH2 4.45Å; V251-W284 HydrophobicContact CG1-CD2 3.76Å; V251-W284 HydrophobicContact CG1-CE3 3.52Å; V251-W284 HydrophobicContact CG1-CH2 4.07Å; V251-W284 HydrophobicContact CG1-CZ2 4.25Å; V251-W284 HydrophobicContact CG1-CZ3 3.69Å; V251-W284 HydrophobicContact CG2-CH2 3.57Å; V251-W284 HydrophobicContact CG2-CZ2 3.79Å; V251-W284 HydrophobicContact CG2-CZ3 3.97Å
252A90.5Very high88Confident17 Ų1765.2 Ų65.214%0.1437%0.369CS..Hα-helixtrans-62.3-33.6174.400000114Q248 V250 G256 I257 Q259 I262Q248-A252 VanDerWaalsContact O-CB 3.24Å; Q248-A252 WeakPolarHBondContact O-CB 3.42Å; Q248-A252 PolarHBondContact O-N 3.27Å; V250-A252 PolarHBondContact O-N 3.22Å; A252-G256 WeakPolarHBondContact O-CA 3.17Å; A252-G256 PolarHBondContact O-N 2.82Å; A252-I257 WeakPolarHBondContact CA-O 3.25Å; A252-I257 WeakPolarHBondContact CB-O 3.22Å; A252-Q259 HydrophobicContact CB-CB 3.71Å; A252-I262 HydrophobicContact CB-CD1 3.94Å
253Q83.8Confident88.4Confident127 Ų12764.3 Ų64.359%0.59335%0.354SS*.Hα-helixtrans-73.1-36.9177.8-170.4176.9-95.500111.8A249 V250 V251A249-Q253 PolarHBondContact O-N 3.16Å; V250-Q253 WeakPolarHBondContact O-CB 3.21Å; V250-Q253 PolarHBondContact O-N 3.42Å; V251-Q253 VanDerWaalsContact C-N 3.31Å; V251-Q253 PolarHBondContact O-N 3.39Å
254V84.2Confident88.4Confident61 Ų6161.9 Ų61.937%0.3734%0.338SS..Hα-helixtrans-80.8-47.8-178.7-178.20000111.8V250 V251 G256V250-V254 PolarHBondContact O-N 3.15Å; V250-V254 VanDerWaalsContact O-N 3.15Å; V251-V254 PolarHBondContact O-N 3.48Å; V254-G256 VanDerWaalsContact C-N 3.35Å; V254-G256 PolarHBondContact O-N 2.97Å
255T88Confident88.9Confident23 Ų2357.5 Ų57.514%0.14132%0.322CS..Hα-helixtrans-80.3-12.2-176.6620000114.3V251 I257 F281 W284V251-T255 HydrophobicContact CG1-CG2 3.84Å; V251-T255 WeakPolarHBondContact O-CB 3.37Å; V251-T255 WeakPolarHBondContact O-CG2 3.43Å; V251-T255 PolarHBondContact O-N 3.15Å; V251-T255 PolarHBondContact O-OG1 3.29Å; T255-I257 PolarHBondContact O-N 3.24Å; T255-I257 VanDerWaalsContact O-N 3.15Å; T255-I257 PolarHBondContact OG1-N 3.31Å; T255-F281 HydrophobicContact CG2-CD2 4.2Å; T255-W284 HydrophobicContact CG2-CB 3.63Å; T255-W284 HydrophobicContact CG2-CD2 4.33Å; T255-W284 HydrophobicContact CG2-CG 3.81Å
256G85.1Confident89.1Confident68 Ų6847.1 Ų47.170%0.70128%0.283SS*.  trans70.3-1.7-172.800000115A252 V254A252-G256 WeakPolarHBondContact O-CA 3.17Å; A252-G256 PolarHBondContact O-N 2.82Å; V254-G256 VanDerWaalsContact C-N 3.35Å; V254-G256 PolarHBondContact O-N 2.97Å
257I89Confident89.2Confident8 Ų851.4 Ų51.44%0.04131%0.306CS..  trans-79.2134.9177.5-54165.6000108.5A252 T255 Q259 R261 I262 L273 K277 F281A252-I257 WeakPolarHBondContact CA-O 3.25Å; A252-I257 WeakPolarHBondContact CB-O 3.22Å; T255-I257 PolarHBondContact O-N 3.24Å; T255-I257 VanDerWaalsContact O-N 3.15Å; T255-I257 PolarHBondContact OG1-N 3.31Å; I257-Q259 PolarHBondContact O-N 3.43Å; I257-R261 HydrophobicContact CG2-CB 4.44Å; I257-I262 HydrophobicContact CB-CD1 4.11Å; I257-I262 HydrophobicContact CB-CG1 4.08Å; I257-I262 HydrophobicContact CG2-CD1 4.3Å; I257-I262 HydrophobicContact CG2-CG1 3.74Å; I257-L273 HydrophobicContact CG2-CD2 4.21Å; I257-K277 HydrophobicContact CD1-CB 3.85Å; I257-K277 HydrophobicContact CD1-CG 4.42Å; I257-K277 VanDerWaalsContact CD1-O 3.31Å; I257-K277 WeakPolarHBondContact CD1-O 3.35Å; I257-K277 HydrophobicContact CG1-CB 4.09Å; I257-K277 HydrophobicContact CG1-CD 4.39Å; I257-K277 HydrophobicContact CG1-CG 4.12Å; I257-F281 HydrophobicContact CD1-CB 3.86Å; I257-F281 HydrophobicContact CD1-CD2 4.05Å; I257-F281 HydrophobicContact CD1-CG 4.41Å
258S92.4Very high89.2Confident68 Ų6854 Ų5448%0.47631%0.311SS..  trans-63.9133.8-179.652.30000112S260 R261 I262S258-S260 PolarHBondContact O-N 2.75Å; S258-S260 VanDerWaalsContact O-N 3.15Å; S258-R261 WeakPolarHBondContact O-CA 3.32Å; S258-R261 WeakPolarHBondContact O-CB 3.48Å; S258-R261 PolarHBondContact O-N 2.82Å; S258-R261 WeakPolarHBondContact OG-CB 3.34Å; S258-I262 PolarHBondContact O-N 3.04Å; S258-I262 VanDerWaalsContact O-N 3.08Å
259Q89.6Confident88.6Confident81 Ų8160.1 Ų60.138%0.37934%0.339SS..Hα-helixtrans-51.7-41.6-178.3176.4-82.4-30.600112.7Q248 A249 A252 I257 R261 I262 S263Q248-Q259 HydrophobicContact CB-CG 3.8Å; A249-Q259 HydrophobicContact CB-CG 4.42Å; A252-Q259 HydrophobicContact CB-CB 3.71Å; I257-Q259 PolarHBondContact O-N 3.43Å; Q259-R261 PolarHBondContact O-N 3.49Å; Q259-I262 PolarHBondContact O-N 3.21Å; Q259-S263 WeakPolarHBondContact O-CB 3.09Å; Q259-S263 PolarHBondContact O-N 2.78Å
260S92.1Very high88.1Confident78 Ų7861.3 Ų61.355%0.54536%0.358SS..Hα-helixtrans-63.4-27.817755.80000113.6S258 H264S258-S260 PolarHBondContact O-N 2.75Å; S258-S260 VanDerWaalsContact O-N 3.15Å; S260-H264 WeakPolarHBondContact O-CB 3.35Å; S260-H264 PolarHBondContact O-N 2.69Å
261R92Very high88.1Confident91 Ų9160.1 Ų60.134%0.34335%0.351SS..Hα-helixtrans-82.6-33.4176.7-17057.216499.50.3112.3I257 S258 Q259 W265 D272 L273I257-R261 HydrophobicContact CG2-CB 4.44Å; S258-R261 WeakPolarHBondContact O-CA 3.32Å; S258-R261 WeakPolarHBondContact O-CB 3.48Å; S258-R261 PolarHBondContact O-N 2.82Å; S258-R261 WeakPolarHBondContact OG-CB 3.34Å; Q259-R261 PolarHBondContact O-N 3.49Å; R261-W265 WeakPolarHBondContact O-CB 3.41Å; R261-W265 PolarHBondContact O-N 3.08Å; R261-D272 PolarHBondContact NH1-O 3.02Å; R261-D272 PolarHBondContact NH2-O 2.96Å; R261-L273 HydrophobicContact CG-CD2 3.93Å
262I92.7Very high88Confident0 Ų063.1 Ų63.10%037%0.367CS..Hα-helixtrans-62.3-48.6166.7-64.5164.7000109.2Q248 V251 A252 I257 S258 Q259 H264 W265 L266 F281Q248-I262 HydrophobicContact CB-CG2 4.27Å; Q248-I262 HydrophobicContact CG-CG2 4.15Å; V251-I262 HydrophobicContact CB-CD1 4.23Å; V251-I262 HydrophobicContact CG1-CD1 4.24Å; A252-I262 HydrophobicContact CB-CD1 3.94Å; I257-I262 HydrophobicContact CB-CD1 4.11Å; I257-I262 HydrophobicContact CB-CG1 4.08Å; I257-I262 HydrophobicContact CG2-CD1 4.3Å; I257-I262 HydrophobicContact CG2-CG1 3.74Å; S258-I262 PolarHBondContact O-N 3.04Å; S258-I262 VanDerWaalsContact O-N 3.08Å; Q259-I262 PolarHBondContact O-N 3.21Å; I262-H264 PolarHBondContact O-N 3.14Å; I262-W265 PolarHBondContact O-N 3.02Å; I262-W265 VanDerWaalsContact O-N 3.15Å; I262-L266 HydrophobicContact CG2-CD1 3.71Å; I262-L266 HydrophobicContact CG2-CG 4.32Å; I262-L266 WeakPolarHBondContact O-CG 3Å; I262-L266 PolarHBondContact O-N 3.04Å; I262-F281 HydrophobicContact CD1-CD2 4.48Å; I262-F281 HydrophobicContact CD1-CE2 4.08Å; I262-F281 HydrophobicContact CG1-CD2 4.38Å; I262-F281 HydrophobicContact CG1-CE2 3.96Å; I262-F281 HydrophobicContact CG2-CE2 3.76Å; I262-F281 HydrophobicContact CG2-CZ 4.06Å
263S93.2Very high87.9Confident29 Ų2962.7 Ų62.720%0.20336%0.362CS..Hα-helixtrans-55.6-53.4177.6-166.50000112Q248 Q259 W265 L266 L267Q248-S263 PolarHBondContact OE1-OG 3.09Å; Q259-S263 WeakPolarHBondContact O-CB 3.09Å; Q259-S263 PolarHBondContact O-N 2.78Å; S263-W265 VanDerWaalsContact C-N 3.29Å; S263-W265 PolarHBondContact O-N 3.09Å; S263-L266 PolarHBondContact O-N 3.21Å; S263-L267 WeakPolarHBondContact O-CB 3.37Å; S263-L267 PolarHBondContact O-N 2.66Å
264H91.4Very high88.1Confident92 Ų9259.3 Ų59.343%0.42635%0.353SS..Hα-helixtrans-56.8-42175.7-173.4-52.3000112.2S260 I262 L267 Q268 S271S260-H264 WeakPolarHBondContact O-CB 3.35Å; S260-H264 PolarHBondContact O-N 2.69Å; I262-H264 PolarHBondContact O-N 3.14Å; H264-L267 PolarHBondContact O-N 3.08Å; H264-Q268 WeakPolarHBondContact O-CB 3.13Å; H264-Q268 PolarHBondContact O-N 3.4Å; H264-S271 WeakPolarHBondContact CE1-CB 3.46Å; H264-S271 WeakPolarHBondContact ND1-CB 3.48Å; H264-S271 PolarHBondContact ND1-OG 3.31Å; H264-S271 VanDerWaalsContact ND1-OG 3.08Å; H264-S271 PolarHBondContact O-OG 3.36Å
265W92.4Very high88.3Confident3 Ų361.8 Ų61.81%0.01136%0.36CS..Hα-helixtrans-69-31.5-178.9-179.271.8000113.9K234 R261 I262 S263 D272 L273 F281 Y282K234-W265 HydrophobicContact CD-CD2 4.47Å; K234-W265 HydrophobicContact CD-CZ2 4.06Å; K234-W265 VanDerWaalsContact CE-CE2 3.45Å; K234-W265 HydrophobicContact CG-CD2 4.26Å; K234-W265 HydrophobicContact CG-CE3 4.39Å; K234-W265 HydrophobicContact CG-CH2 3.6Å; K234-W265 HydrophobicContact CG-CZ2 3.47Å; K234-W265 VanDerWaalsContact CG-CZ2 3.47Å; K234-W265 HydrophobicContact CG-CZ3 4.07Å; R261-W265 WeakPolarHBondContact O-CB 3.41Å; R261-W265 PolarHBondContact O-N 3.08Å; I262-W265 PolarHBondContact O-N 3.02Å; I262-W265 VanDerWaalsContact O-N 3.15Å; S263-W265 VanDerWaalsContact C-N 3.29Å; S263-W265 PolarHBondContact O-N 3.09Å; W265-D272 VanDerWaalsContact CD1-CA 3.48Å; W265-D272 PolarHBondContact NE1-OD1 2.86Å; W265-L273 HydrophobicContact CB-CD1 4.43Å; W265-L273 HydrophobicContact CB-CG 4.13Å; W265-L273 VanDerWaalsContact CD1-N 3.32Å; W265-L273 HydrophobicContact CD2-CD1 3.58Å; W265-L273 HydrophobicContact CD2-CG 3.91Å; W265-L273 HydrophobicContact CE3-CD1 3.98Å; W265-L273 HydrophobicContact CG-CB 4.49Å; W265-L273 HydrophobicContact CG-CD1 3.82Å; W265-L273 HydrophobicContact CG-CG 3.61Å; W265-L273 HydrophobicContact CZ2-CD1 4.34Å; W265-F281 HydrophobicContact CE3-CE1 4.24Å; W265-F281 HydrophobicContact CE3-CZ 4.46Å; W265-F281 HydrophobicContact CH2-CD1 4.1Å; W265-F281 HydrophobicContact CH2-CE1 4.01Å; W265-F281 AromaticContact CZ3-CD1 3.84Å; W265-F281 HydrophobicContact CZ3-CD1 3.84Å; W265-F281 AromaticContact CZ3-CE1 3.38Å; W265-F281 HydrophobicContact CZ3-CE1 3.38Å; W265-F281 AromaticContact CZ3-CZ 3.98Å; W265-F281 HydrophobicContact CZ3-CZ 3.98Å; W265-Y282 HydrophobicContact CH2-CE1 4.03Å; W265-Y282 HydrophobicContact CZ2-CE1 4.3Å
266L90.4Very high88.3Confident10 Ų1068.3 Ų68.35%0.05239%0.389CS..Hα-helixtrans-85.8-18.8177.9-67.4172.7000114.1K238 L241 Q248 I262 S263K238-L266 HydrophobicContact CB-CD2 4.24Å; L241-L266 HydrophobicContact CD1-CD1 3.62Å; Q248-L266 HydrophobicContact CG-CD1 4.37Å; I262-L266 HydrophobicContact CG2-CD1 3.71Å; I262-L266 HydrophobicContact CG2-CG 4.32Å; I262-L266 WeakPolarHBondContact O-CG 3Å; I262-L266 PolarHBondContact O-N 3.04Å; S263-L266 PolarHBondContact O-N 3.21Å
267L87.5Confident88.5Confident113 Ų11369.4 Ų69.459%0.59238%0.375SS*.Hα-helixtrans-116.7-29.5-172.2-69.6165000114.1S263 H264S263-L267 WeakPolarHBondContact O-CB 3.37Å; S263-L267 PolarHBondContact O-N 2.66Å; H264-L267 PolarHBondContact O-N 3.08Å
268Q87.8Confident88.6Confident116 Ų11670.5 Ų70.554%0.54238%0.379SS..SBendtrans-94.3109.2-179.4-167.370.742.800110.2H264 S271H264-Q268 WeakPolarHBondContact O-CB 3.13Å; H264-Q268 PolarHBondContact O-N 3.4Å; Q268-S271 VanDerWaalsContact O-CB 3.3Å; Q268-S271 WeakPolarHBondContact O-CB 3.36Å; Q268-S271 PolarHBondContact O-N 3.28Å; Q268-S271 VanDerWaalsContact O-N 3.11Å; Q268-S271 PolarHBondContact O-OG 3.22Å
269H76.3Confident88.6Confident174 Ų17471 Ų7181%0.80637%0.371SS*.THydrogen-bonded Turntrans-50.5143.8172.8-66.2-89.8000111.7S271H269-S271 PolarHBondContact O-N 3.44Å
270G76.8Confident88.6Confident87 Ų8769.2 Ų69.290%0.89737%0.369SS*.THydrogen-bonded Turntrans70.3-12.5-17600000115.6
271S85.6Confident88.6Confident17 Ų1765.5 Ų65.512%0.11934%0.343CS..  trans-80.3139.8-178.684.40000112.3K234 H264 Q268 H269K234-S271 PolarHBondContact NZ-O 3.36Å; H264-S271 WeakPolarHBondContact CE1-CB 3.46Å; H264-S271 WeakPolarHBondContact ND1-CB 3.48Å; H264-S271 PolarHBondContact ND1-OG 3.31Å; H264-S271 VanDerWaalsContact ND1-OG 3.08Å; H264-S271 PolarHBondContact O-OG 3.36Å; Q268-S271 VanDerWaalsContact O-CB 3.3Å; Q268-S271 WeakPolarHBondContact O-CB 3.36Å; Q268-S271 PolarHBondContact O-N 3.28Å; Q268-S271 VanDerWaalsContact O-N 3.11Å; Q268-S271 PolarHBondContact O-OG 3.22Å; H269-S271 PolarHBondContact O-N 3.44Å
272D86.7Confident88.6Confident62 Ų6261.2 Ų61.233%0.33233%0.328SS..  trans-132.8158.5-175-150.220.7000114.8K234 R261 W265 K278K234-D272 IonicContact NZ-OD1 3.02Å; K234-D272 PolarHBondContact NZ-OD1 3.4Å; R261-D272 PolarHBondContact NH1-O 3.02Å; R261-D272 PolarHBondContact NH2-O 2.96Å; W265-D272 VanDerWaalsContact CD1-CA 3.48Å; W265-D272 PolarHBondContact NE1-OD1 2.86Å; D272-K278 WeakPolarHBondContact OD1-CE 3.4Å; D272-K278 IonicContact OD1-NZ 3.63Å; D272-K278 WeakPolarHBondContact OD2-CE 3.38Å; D272-K278 IonicContact OD2-NZ 3.78Å; D272-K278 PolarHBondContact OD2-NZ 3.26Å
273L88.3Confident88.5Confident8 Ų864.8 Ų64.84%0.04234%0.341CS..  trans-94.2146.9175.9-82.5171.3000110.4I257 R261 W265 K277 K278I257-L273 HydrophobicContact CG2-CD2 4.21Å; R261-L273 HydrophobicContact CG-CD2 3.93Å; W265-L273 HydrophobicContact CB-CD1 4.43Å; W265-L273 HydrophobicContact CB-CG 4.13Å; W265-L273 VanDerWaalsContact CD1-N 3.32Å; W265-L273 HydrophobicContact CD2-CD1 3.58Å; W265-L273 HydrophobicContact CD2-CG 3.91Å; W265-L273 HydrophobicContact CE3-CD1 3.98Å; W265-L273 HydrophobicContact CG-CB 4.49Å; W265-L273 HydrophobicContact CG-CD1 3.82Å; W265-L273 HydrophobicContact CG-CG 3.61Å; W265-L273 HydrophobicContact CZ2-CD1 4.34Å; L273-K277 HydrophobicContact CB-CB 4.37Å; L273-K277 HydrophobicContact CD2-CB 4.15Å; L273-K277 HydrophobicContact CD2-CD 4.41Å; L273-K278 HydrophobicContact CB-CG 3.92Å; L273-K278 WeakPolarHBondContact O-CE 3.46Å
274S89.4Confident88.3Confident57 Ų5763.9 Ų63.940%0.39933%0.333SS..  trans-60.7143.516954.90000110.4Q276 K277 K278S274-Q276 PolarHBondContact O-N 2.86Å; S274-K277 WeakPolarHBondContact O-CA 3.44Å; S274-K277 WeakPolarHBondContact O-CB 3.29Å; S274-K277 PolarHBondContact O-N 3.22Å; S274-K277 WeakPolarHBondContact OG-CD 3.32Å; S274-K277 WeakPolarHBondContact OG-CG 3.33Å; S274-K278 PolarHBondContact O-N 3.04Å; S274-K278 VanDerWaalsContact O-N 3.09Å
275E88.2Confident88.2Confident112 Ų11259.6 Ų59.652%0.52331%0.313SS..Hα-helixtrans-49.4-48.9-169.3-149.5-173.9145.300114.6M226 K277 K278 R279M226-E275 HydrophobicContact CE-CG 3.38Å; E275-K277 PolarHBondContact O-N 3.15Å; E275-K277 VanDerWaalsContact O-N 3.13Å; E275-K278 WeakPolarHBondContact O-CA 3.3Å; E275-K278 WeakPolarHBondContact O-CB 3.45Å; E275-K278 PolarHBondContact O-N 2.87Å; E275-R279 PolarHBondContact O-N 2.89Å; E275-R279 IonicContact OE1-CZ 3.86Å; E275-R279 VanDerWaalsContact OE1-CZ 3.3Å; E275-R279 IonicContact OE1-NH1 3.99Å; E275-R279 PolarHBondContact OE1-NH1 3.05Å; E275-R279 IonicContact OE1-NH2 3.9Å; E275-R279 PolarHBondContact OE1-NH2 2.82Å
276Q87.4Confident88Confident160 Ų16060 Ų6075%0.74832%0.315SS*.Hα-helixtrans-54.7-32.7174.7-170.2-173.23000113.5S274 A280S274-Q276 PolarHBondContact O-N 2.86Å; Q276-A280 WeakPolarHBondContact O-CB 3.43Å; Q276-A280 PolarHBondContact O-N 2.87Å; Q276-A280 VanDerWaalsContact O-N 3.13Å
277K89.4Confident87.7Confident92 Ų9262 Ų6240%0.433%0.326SS..Hα-helixtrans-83.9-27.6177.2-63.9177.8-170144.10112.1I257 L273 S274 E275 F281I257-K277 HydrophobicContact CD1-CB 3.85Å; I257-K277 HydrophobicContact CD1-CG 4.42Å; I257-K277 VanDerWaalsContact CD1-O 3.31Å; I257-K277 WeakPolarHBondContact CD1-O 3.35Å; I257-K277 HydrophobicContact CG1-CB 4.09Å; I257-K277 HydrophobicContact CG1-CD 4.39Å; I257-K277 HydrophobicContact CG1-CG 4.12Å; L273-K277 HydrophobicContact CB-CB 4.37Å; L273-K277 HydrophobicContact CD2-CB 4.15Å; L273-K277 HydrophobicContact CD2-CD 4.41Å; S274-K277 WeakPolarHBondContact O-CA 3.44Å; S274-K277 WeakPolarHBondContact O-CB 3.29Å; S274-K277 PolarHBondContact O-N 3.22Å; S274-K277 WeakPolarHBondContact OG-CD 3.32Å; S274-K277 WeakPolarHBondContact OG-CG 3.33Å; E275-K277 PolarHBondContact O-N 3.15Å; E275-K277 VanDerWaalsContact O-N 3.13Å; K277-F281 WeakPolarHBondContact O-CB 3.36Å; K277-F281 PolarHBondContact O-N 2.81Å; K277-F281 VanDerWaalsContact O-N 3.08Å
278K91.8Very high87.4Confident30 Ų3056.9 Ų56.913%0.1330%0.299CS..Hα-helixtrans-63.4-55.9166.3-68-174.4179.9-1790109.9M226 D272 L273 S274 E275 A280 F281 Y282M226-K278 HydrophobicContact CE-CB 4.2Å; M226-K278 HydrophobicContact CE-CD 4.02Å; M226-K278 HydrophobicContact SD-CB 3.48Å; M226-K278 WeakPolarHBondContact SD-CB 3.18Å; M226-K278 HydrophobicContact SD-CD 3.95Å; M226-K278 HydrophobicContact SD-CG 4.4Å; D272-K278 WeakPolarHBondContact OD1-CE 3.4Å; D272-K278 IonicContact OD1-NZ 3.63Å; D272-K278 WeakPolarHBondContact OD2-CE 3.38Å; D272-K278 IonicContact OD2-NZ 3.78Å; D272-K278 PolarHBondContact OD2-NZ 3.26Å; L273-K278 HydrophobicContact CB-CG 3.92Å; L273-K278 WeakPolarHBondContact O-CE 3.46Å; S274-K278 PolarHBondContact O-N 3.04Å; S274-K278 VanDerWaalsContact O-N 3.09Å; E275-K278 WeakPolarHBondContact O-CA 3.3Å; E275-K278 WeakPolarHBondContact O-CB 3.45Å; E275-K278 PolarHBondContact O-N 2.87Å; K278-A280 VanDerWaalsContact C-N 3.35Å; K278-A280 PolarHBondContact O-N 3.5Å; K278-F281 CarbonylContact O-C 3.59Å; K278-F281 PolarHBondContact O-N 3.42Å; K278-Y282 HydrophobicContact CB-CD2 4.46Å; K278-Y282 HydrophobicContact CB-CE2 4.18Å; K278-Y282 WeakPolarHBondContact O-CB 3.48Å; K278-Y282 VanDerWaalsContact O-CG 3.27Å; K278-Y282 PolarHBondContact O-N 3.08Å
279R91.1Very high86.9Confident80 Ų8055.8 Ų55.830%0.30229%0.292SS..Hα-helixtrans-55-46.5178.8-69-159179.579.712.7112.3V222 E223 M226 E275 F281 Y282 R283V222-R279 HydrophobicContact CG1-CB 3.88Å; V222-R279 HydrophobicContact CG1-CG 3.72Å; E223-R279 VanDerWaalsContact CD-NH2 3.27Å; E223-R279 IonicContact OE1-CZ 3.72Å; E223-R279 IonicContact OE1-NH2 3.78Å; E223-R279 PolarHBondContact OE1-NH2 3.11Å; E223-R279 IonicContact OE2-CZ 3.39Å; E223-R279 IonicContact OE2-NE 2.68Å; E223-R279 PolarHBondContact OE2-NE 3.33Å; E223-R279 IonicContact OE2-NH2 2.72Å; E223-R279 PolarHBondContact OE2-NH2 3.39Å; M226-R279 HydrophobicContact CG-CG 4.02Å; M226-R279 HydrophobicContact SD-CG 3.99Å; E275-R279 PolarHBondContact O-N 2.89Å; E275-R279 IonicContact OE1-CZ 3.86Å; E275-R279 VanDerWaalsContact OE1-CZ 3.3Å; E275-R279 IonicContact OE1-NH1 3.99Å; E275-R279 PolarHBondContact OE1-NH1 3.05Å; E275-R279 IonicContact OE1-NH2 3.9Å; E275-R279 PolarHBondContact OE1-NH2 2.82Å; R279-F281 VanDerWaalsContact C-N 3.35Å; R279-F281 PolarHBondContact O-N 2.99Å; R279-Y282 PolarHBondContact O-N 2.84Å; R279-R283 VanDerWaalsContact O-CB 3.28Å; R279-R283 WeakPolarHBondContact O-CB 3.33Å; R279-R283 PolarHBondContact O-N 2.85Å
280A89.9Confident86.7Confident42 Ų4250.6 Ų50.635%0.34727%0.273SS..Hα-helixtrans-61.2-37.1175.700000114.2Q276 K278 W284Q276-A280 WeakPolarHBondContact O-CB 3.43Å; Q276-A280 PolarHBondContact O-N 2.87Å; Q276-A280 VanDerWaalsContact O-N 3.13Å; K278-A280 VanDerWaalsContact C-N 3.35Å; K278-A280 PolarHBondContact O-N 3.5Å; A280-W284 WeakPolarHBondContact O-CB 3.46Å; A280-W284 PolarHBondContact O-N 2.98Å
281F91.4Very high86.4Confident0 Ų049.7 Ų49.70%025%0.25CS..Hα-helixtrans-77.7-35.4178.8-168.2-95.3000112.4I237 V251 T255 I257 I262 W265 K277 K278 R279 Y285I237-F281 HydrophobicContact CB-CE1 4.41Å; I237-F281 HydrophobicContact CD1-CD1 4.13Å; I237-F281 HydrophobicContact CD1-CE1 3.94Å; I237-F281 HydrophobicContact CG2-CE1 3.65Å; I237-F281 HydrophobicContact CG2-CZ 4.1Å; V251-F281 HydrophobicContact CB-CE2 4.46Å; V251-F281 HydrophobicContact CG1-CD2 3.82Å; V251-F281 HydrophobicContact CG1-CE2 3.41Å; V251-F281 VanDerWaalsContact CG1-CE2 3.41Å; V251-F281 HydrophobicContact CG1-CZ 4.27Å; T255-F281 HydrophobicContact CG2-CD2 4.2Å; I257-F281 HydrophobicContact CD1-CB 3.86Å; I257-F281 HydrophobicContact CD1-CD2 4.05Å; I257-F281 HydrophobicContact CD1-CG 4.41Å; I262-F281 HydrophobicContact CD1-CD2 4.48Å; I262-F281 HydrophobicContact CD1-CE2 4.08Å; I262-F281 HydrophobicContact CG1-CD2 4.38Å; I262-F281 HydrophobicContact CG1-CE2 3.96Å; I262-F281 HydrophobicContact CG2-CE2 3.76Å; I262-F281 HydrophobicContact CG2-CZ 4.06Å; W265-F281 HydrophobicContact CE3-CE1 4.24Å; W265-F281 HydrophobicContact CE3-CZ 4.46Å; W265-F281 HydrophobicContact CH2-CD1 4.1Å; W265-F281 HydrophobicContact CH2-CE1 4.01Å; W265-F281 AromaticContact CZ3-CD1 3.84Å; W265-F281 HydrophobicContact CZ3-CD1 3.84Å; W265-F281 AromaticContact CZ3-CE1 3.38Å; W265-F281 HydrophobicContact CZ3-CE1 3.38Å; W265-F281 AromaticContact CZ3-CZ 3.98Å; W265-F281 HydrophobicContact CZ3-CZ 3.98Å; K277-F281 WeakPolarHBondContact O-CB 3.36Å; K277-F281 PolarHBondContact O-N 2.81Å; K277-F281 VanDerWaalsContact O-N 3.08Å; K278-F281 CarbonylContact O-C 3.59Å; K278-F281 PolarHBondContact O-N 3.42Å; R279-F281 VanDerWaalsContact C-N 3.35Å; R279-F281 PolarHBondContact O-N 2.99Å; F281-Y285 VanDerWaalsContact O-CB 3.31Å; F281-Y285 WeakPolarHBondContact O-CB 3.35Å; F281-Y285 PolarHBondContact O-N 3.1Å
282Y92.4Very high85.3Confident2 Ų253 Ų531%0.00827%0.271CS..Hα-helixtrans-72.6-41176.5-67.4-4000111.4L225 M226 V233 I237 W265 K278 R279 W284 Y285 I286L225-Y282 HydrophobicContact CB-CD2 3.6Å; L225-Y282 HydrophobicContact CB-CE2 3.97Å; L225-Y282 HydrophobicContact CB-CG 4.15Å; L225-Y282 HydrophobicContact CD1-CG 4.28Å; L225-Y282 VanDerWaalsContact O-CE2 3.24Å; L225-Y282 WeakPolarHBondContact O-CE2 3.44Å; M226-Y282 HydrophobicContact CG-CD2 4.12Å; M226-Y282 HydrophobicContact CG-CE2 4.23Å; M226-Y282 HydrophobicContact SD-CD2 3.78Å; M226-Y282 HydrophobicContact SD-CE2 3.6Å; V233-Y282 HydrophobicContact CG1-CD1 4.34Å; V233-Y282 HydrophobicContact CG1-CE1 3.64Å; V233-Y282 HydrophobicContact CG1-CE2 4.42Å; I237-Y282 HydrophobicContact CD1-CD1 3.95Å; I237-Y282 HydrophobicContact CD1-CE1 3.98Å; W265-Y282 HydrophobicContact CH2-CE1 4.03Å; W265-Y282 HydrophobicContact CZ2-CE1 4.3Å; K278-Y282 HydrophobicContact CB-CD2 4.46Å; K278-Y282 HydrophobicContact CB-CE2 4.18Å; K278-Y282 WeakPolarHBondContact O-CB 3.48Å; K278-Y282 VanDerWaalsContact O-CG 3.27Å; K278-Y282 PolarHBondContact O-N 3.08Å; R279-Y282 PolarHBondContact O-N 2.84Å; Y282-W284 VanDerWaalsContact C-N 3.35Å; Y282-W284 PolarHBondContact O-N 2.72Å; Y282-Y285 WeakPolarHBondContact O-CB 3.35Å; Y282-Y285 PolarHBondContact O-N 3.44Å; Y282-Y285 VanDerWaalsContact O-N 3.12Å; Y282-I286 WeakPolarHBondContact O-CD1 3.38Å; Y282-I286 WeakPolarHBondContact O-CG1 3.43Å; Y282-I286 PolarHBondContact O-N 3.01Å
283R90.3Very high84Confident75 Ų7550.7 Ų50.728%0.28326%0.262SS..Hα-helixtrans-61.6-44.6174.2-160-179.5-160.5-90.44111D215 V218 D219 V222 R279 I286 L287D215-R283 VanDerWaalsContact CG-NH2 3.32Å; D215-R283 IonicContact OD1-CZ 3.52Å; D215-R283 IonicContact OD1-NH1 3.78Å; D215-R283 IonicContact OD1-NH2 2.66Å; D215-R283 PolarHBondContact OD1-NH2 3.48Å; D215-R283 IonicContact OD2-NH2 2.7Å; D215-R283 PolarHBondContact OD2-NH2 3.27Å; V218-R283 HydrophobicContact CG1-CG 3.7Å; D219-R283 WeakPolarHBondContact OD1-CD 3.46Å; D219-R283 IonicContact OD1-CZ 2.65Å; D219-R283 IonicContact OD1-NE 2.6Å; D219-R283 PolarHBondContact OD1-NE 2.98Å; D219-R283 IonicContact OD1-NH2 2.74Å; D219-R283 IonicContact OD2-NE 3.9Å; D219-R283 IonicContact OD2-NH2 3.47Å; V222-R283 HydrophobicContact CG2-CB 3.72Å; V222-R283 HydrophobicContact CG2-CG 4.09Å; R279-R283 VanDerWaalsContact O-CB 3.28Å; R279-R283 WeakPolarHBondContact O-CB 3.33Å; R279-R283 PolarHBondContact O-N 2.85Å; R283-I286 PolarHBondContact O-N 3.35Å; R283-L287 HydrophobicContact CG-CD1 4.26Å; R283-L287 WeakPolarHBondContact O-CB 3.46Å; R283-L287 WeakPolarHBondContact O-CD1 3.26Å; R283-L287 VanDerWaalsContact O-CG 3.27Å; R283-L287 WeakPolarHBondContact O-CG 3.36Å; R283-L287 PolarHBondContact O-N 2.84Å
284W90.1Very high82.4Confident9 Ų952 Ų523%0.03427%0.274CS..Hα-helixtrans-58.2-47.1170.4170.674.5000112.1F240 L241 I246 V251 T255 A280 Y282 I286 L287 E288 T295F240-W284 HydrophobicContact CE1-CH2 4.28Å; L241-W284 HydrophobicContact CD2-CH2 3.65Å; L241-W284 HydrophobicContact CD2-CZ3 4.1Å; I246-W284 HydrophobicContact CD1-CH2 4.38Å; I246-W284 HydrophobicContact CD1-CZ2 4.36Å; I246-W284 HydrophobicContact CG2-CH2 4.22Å; I246-W284 HydrophobicContact CG2-CZ2 4.15Å; V251-W284 HydrophobicContact CB-CH2 4.45Å; V251-W284 HydrophobicContact CG1-CD2 3.76Å; V251-W284 HydrophobicContact CG1-CE3 3.52Å; V251-W284 HydrophobicContact CG1-CH2 4.07Å; V251-W284 HydrophobicContact CG1-CZ2 4.25Å; V251-W284 HydrophobicContact CG1-CZ3 3.69Å; V251-W284 HydrophobicContact CG2-CH2 3.57Å; V251-W284 HydrophobicContact CG2-CZ2 3.79Å; V251-W284 HydrophobicContact CG2-CZ3 3.97Å; T255-W284 HydrophobicContact CG2-CB 3.63Å; T255-W284 HydrophobicContact CG2-CD2 4.33Å; T255-W284 HydrophobicContact CG2-CG 3.81Å; A280-W284 WeakPolarHBondContact O-CB 3.46Å; A280-W284 PolarHBondContact O-N 2.98Å; Y282-W284 VanDerWaalsContact C-N 3.35Å; Y282-W284 PolarHBondContact O-N 2.72Å; W284-I286 PolarHBondContact O-N 3.4Å; W284-L287 PolarHBondContact O-N 2.9Å; W284-E288 HydrophobicContact CH2-CG 4.41Å; W284-E288 HydrophobicContact CZ2-CB 4.02Å; W284-E288 HydrophobicContact CZ2-CG 3.8Å; W284-E288 VanDerWaalsContact O-CB 3.28Å; W284-E288 WeakPolarHBondContact O-CB 3.45Å; W284-E288 PolarHBondContact O-N 3.2Å; W284-T295 PolarHBondContact NE1-OG1 3.4Å
285Y90.1Very high80.6Confident3 Ų350.4 Ų50.41%0.01226%0.262CS..Hα-helixtrans-61.5-42.9-179.3168.4-114000112.4L225 E236 I237 F240 F281 Y282 K289L225-Y285 HydrophobicContact CD1-CD1 3.82Å; L225-Y285 HydrophobicContact CD1-CE1 4.15Å; E236-Y285 WeakPolarHBondContact CG-OH 3.36Å; E236-Y285 PolarHBondContact OE1-OH 3.37Å; I237-Y285 HydrophobicContact CB-CD2 4.35Å; I237-Y285 HydrophobicContact CB-CE2 4.4Å; I237-Y285 HydrophobicContact CD1-CD1 3.94Å; I237-Y285 HydrophobicContact CD1-CD2 4.44Å; I237-Y285 HydrophobicContact CD1-CE1 4.4Å; I237-Y285 HydrophobicContact CD1-CG 3.95Å; I237-Y285 HydrophobicContact CG1-CD1 3.78Å; I237-Y285 HydrophobicContact CG1-CD2 3.75Å; I237-Y285 HydrophobicContact CG1-CE1 3.86Å; I237-Y285 HydrophobicContact CG1-CE2 3.81Å; I237-Y285 HydrophobicContact CG1-CG 3.72Å; I237-Y285 HydrophobicContact CG2-CD2 3.98Å; I237-Y285 HydrophobicContact CG2-CE2 4.4Å; I237-Y285 HydrophobicContact CG2-CG 4.44Å; F240-Y285 HydrophobicContact CB-CE2 3.88Å; F240-Y285 AromaticContact CD1-CD2 3.85Å; F240-Y285 HydrophobicContact CD1-CD2 3.85Å; F240-Y285 AromaticContact CD1-CE2 3.73Å; F240-Y285 HydrophobicContact CD1-CE2 3.73Å; F240-Y285 AromaticContact CD2-CE2 3.87Å; F240-Y285 HydrophobicContact CD2-CE2 3.87Å; F240-Y285 AromaticContact CE1-CD2 3.97Å; F240-Y285 HydrophobicContact CE1-CD2 3.97Å; F240-Y285 HydrophobicContact CE1-CE2 4.12Å; F240-Y285 HydrophobicContact CE2-CE2 4.23Å; F240-Y285 HydrophobicContact CG-CD2 4.2Å; F240-Y285 AromaticContact CG-CE2 3.59Å; F240-Y285 HydrophobicContact CG-CE2 3.59Å; F240-Y285 HydrophobicContact CZ-CD2 4.41Å; F240-Y285 HydrophobicContact CZ-CE2 4.34Å; F281-Y285 VanDerWaalsContact O-CB 3.31Å; F281-Y285 WeakPolarHBondContact O-CB 3.35Å; F281-Y285 PolarHBondContact O-N 3.1Å; Y282-Y285 WeakPolarHBondContact O-CB 3.35Å; Y282-Y285 PolarHBondContact O-N 3.44Å; Y282-Y285 VanDerWaalsContact O-N 3.12Å; Y285-K289 HydrophobicContact CE1-CD 4.13Å; Y285-K289 HydrophobicContact CE2-CD 4.37Å; Y285-K289 WeakPolarHBondContact O-CB 3.5Å; Y285-K289 PolarHBondContact O-N 3.5Å; Y285-K289 WeakPolarHBondContact OH-CE 3.4Å; Y285-K289 PolarHBondContact OH-NZ 3.02Å
286I88Confident78.8Confident10 Ų1049.2 Ų49.25%0.05126%0.258CS..Hα-helixtrans-63.7-52.2176.6-70.1155.2000110.5V218 K221 V222 L225 Y282 R283 W284 E288 K289 T290V218-I286 HydrophobicContact CG1-CG2 4.39Å; V218-I286 HydrophobicContact CG2-CG2 4.18Å; K221-I286 VanDerWaalsContact C-CD1 3.44Å; K221-I286 HydrophobicContact CB-CD1 3.57Å; K221-I286 HydrophobicContact CB-CG1 4.24Å; K221-I286 HydrophobicContact CB-CG2 4.39Å; K221-I286 HydrophobicContact CD-CG2 4.29Å; V222-I286 HydrophobicContact CB-CD1 4.32Å; V222-I286 HydrophobicContact CG2-CD1 3.59Å; L225-I286 HydrophobicContact CD1-CD1 3.75Å; L225-I286 HydrophobicContact CD1-CG1 3.87Å; Y282-I286 WeakPolarHBondContact O-CD1 3.38Å; Y282-I286 WeakPolarHBondContact O-CG1 3.43Å; Y282-I286 PolarHBondContact O-N 3.01Å; R283-I286 PolarHBondContact O-N 3.35Å; W284-I286 PolarHBondContact O-N 3.4Å; I286-E288 VanDerWaalsContact C-N 3.28Å; I286-E288 PolarHBondContact O-N 3.22Å; I286-K289 WeakPolarHBondContact O-CA 3.48Å; I286-K289 WeakPolarHBondContact O-CB 3.39Å; I286-K289 PolarHBondContact O-N 2.83Å; I286-T290 HydrophobicContact CG2-CG2 4.48Å; I286-T290 PolarHBondContact O-N 3.42Å; I286-T290 PolarHBondContact O-OG1 2.89Å; I286-T290 VanDerWaalsContact O-OG1 3.12Å
287L82.6Confident76.6Confident52 Ų5247.9 Ų47.927%0.27226%0.256SS..Hα-helixtrans-57.8-39.5178.7-72.5167.2000112.5V218 R283 W284 T290 T291 T295V218-L287 HydrophobicContact CG1-CD2 4.45Å; V218-L287 HydrophobicContact CG1-CG 4.36Å; V218-L287 HydrophobicContact CG2-CD2 4.12Å; R283-L287 HydrophobicContact CG-CD1 4.26Å; R283-L287 WeakPolarHBondContact O-CB 3.46Å; R283-L287 WeakPolarHBondContact O-CD1 3.26Å; R283-L287 VanDerWaalsContact O-CG 3.27Å; R283-L287 WeakPolarHBondContact O-CG 3.36Å; R283-L287 PolarHBondContact O-N 2.84Å; W284-L287 PolarHBondContact O-N 2.9Å; L287-T290 PolarHBondContact O-OG1 3.48Å; L287-T291 CarbonylContact O-C 3.58Å; L287-T291 PolarHBondContact O-N 2.98Å; L287-T295 HydrophobicContact CB-CG2 3.96Å
288E82.8Confident74.1Confident7 Ų749.7 Ų49.73%0.03327%0.268CS..Hα-helixtrans-73.3-32.8176-165.762.9-138.400111.4F240 R244 I246 W284 I286 G293 T295F240-E288 HydrophobicContact CE1-CB 4.35Å; F240-E288 HydrophobicContact CE1-CG 4.04Å; F240-E288 HydrophobicContact CZ-CB 4.23Å; F240-E288 HydrophobicContact CZ-CG 4Å; R244-E288 PolarHBondContact NH1-O 2.97Å; I246-E288 HydrophobicContact CD1-CG 3.92Å; W284-E288 HydrophobicContact CH2-CG 4.41Å; W284-E288 HydrophobicContact CZ2-CB 4.02Å; W284-E288 HydrophobicContact CZ2-CG 3.8Å; W284-E288 VanDerWaalsContact O-CB 3.28Å; W284-E288 WeakPolarHBondContact O-CB 3.45Å; W284-E288 PolarHBondContact O-N 3.2Å; I286-E288 VanDerWaalsContact C-N 3.28Å; I286-E288 PolarHBondContact O-N 3.22Å; E288-G293 PolarHBondContact OE1-N 3.25Å; E288-T295 PolarHBondContact OE2-OG1 3.12Å
289K76.1Confident71.4Confident92 Ų9257.8 Ų57.840%0.430%0.298SS..Hα-helixtrans-69.4-46.1177.9-169.9178.9-166.5168.70111.5E236 F240 R244 Y285 I286E236-K289 IonicContact OE1-NZ 2.73Å; E236-K289 PolarHBondContact OE1-NZ 2.85Å; F240-K289 HydrophobicContact CE2-CB 4.09Å; F240-K289 HydrophobicContact CE2-CG 4.19Å; F240-K289 HydrophobicContact CZ-CB 4.26Å; R244-K289 PolarHBondContact NH2-O 3.19Å; Y285-K289 HydrophobicContact CE1-CD 4.13Å; Y285-K289 HydrophobicContact CE2-CD 4.37Å; Y285-K289 WeakPolarHBondContact O-CB 3.5Å; Y285-K289 PolarHBondContact O-N 3.5Å; Y285-K289 WeakPolarHBondContact OH-CE 3.4Å; Y285-K289 PolarHBondContact OH-NZ 3.02Å; I286-K289 WeakPolarHBondContact O-CA 3.48Å; I286-K289 WeakPolarHBondContact O-CB 3.39Å; I286-K289 PolarHBondContact O-N 2.83Å
290T72.9Confident68.9Low66 Ų6658.9 Ų58.941%0.40532%0.315SS..Hα-helixtrans-71.8-49177.254.20000111.9I286 L287 P292I286-T290 HydrophobicContact CG2-CG2 4.48Å; I286-T290 PolarHBondContact O-N 3.42Å; I286-T290 PolarHBondContact O-OG1 2.89Å; I286-T290 VanDerWaalsContact O-OG1 3.12Å; L287-T290 PolarHBondContact O-OG1 3.48Å; T290-P292 WeakPolarHBondContact O-CD 3.38Å
291T69.4Low66Low67 Ų6759.8 Ų59.841%0.41132%0.322SS..SBendtrans-124.686.4-173.1-48.10000110.9L287 G293 A294L287-T291 CarbonylContact O-C 3.58Å; L287-T291 PolarHBondContact O-N 2.98Å; T291-G293 PolarHBondContact O-N 3.12Å; T291-A294 HydrophobicContact CG2-CB 3.73Å; T291-A294 WeakPolarHBondContact O-CB 3.06Å; T291-A294 PolarHBondContact O-N 2.78Å
292P64.2Low63.6Low87 Ų8766 Ų6657%0.56536%0.363SS*.THydrogen-bonded Turntrans-53.2123.6-178-23.531.3000112.2T290 A294T290-P292 WeakPolarHBondContact O-CD 3.38Å; P292-A294 VanDerWaalsContact C-N 3.32Å; P292-A294 PolarHBondContact O-N 3.12Å
293G57.9Low60.9Low13 Ų1372.6 Ų72.613%0.13440%0.397CS..THydrogen-bonded Turntrans79.1-1.1179.800000115.7E288 T291 T295 L296 N297E288-G293 PolarHBondContact OE1-N 3.25Å; T291-G293 PolarHBondContact O-N 3.12Å; G293-T295 PolarHBondContact O-N 3.16Å; G293-L296 PolarHBondContact O-N 3.25Å; G293-L296 VanDerWaalsContact O-N 3.08Å; G293-N297 VanDerWaalsContact O-CB 3.28Å; G293-N297 WeakPolarHBondContact O-CB 3.34Å; G293-N297 PolarHBondContact O-N 3.01Å
294A54.4Low58.5Low35 Ų3574.8 Ų74.829%0.28942%0.422SS..Hα-helixtrans-55.7-42.6174.500000111.7T291 P292 L296 M298T291-A294 HydrophobicContact CG2-CB 3.73Å; T291-A294 WeakPolarHBondContact O-CB 3.06Å; T291-A294 PolarHBondContact O-N 2.78Å; P292-A294 VanDerWaalsContact C-N 3.32Å; P292-A294 PolarHBondContact O-N 3.12Å; A294-L296 VanDerWaalsContact C-N 3.25Å; A294-L296 PolarHBondContact O-N 3.04Å; A294-M298 WeakPolarHBondContact O-CG 3.26Å; A294-M298 PolarHBondContact O-N 2.97Å
295T52.2Low56.3Low24 Ų2482.8 Ų82.815%0.14746%0.464CS..Hα-helixtrans-75.1-13.6-178.783.50000113.8W284 L287 E288 G293W284-T295 PolarHBondContact NE1-OG1 3.4Å; L287-T295 HydrophobicContact CB-CG2 3.96Å; E288-T295 PolarHBondContact OE2-OG1 3.12Å; G293-T295 PolarHBondContact O-N 3.16Å
296L50.6Low53.8Low87 Ų8791.4 Ų91.446%0.45551%0.505SS..Hα-helixtrans-100.8-38.8178.6-87.5171.4000113.1V250 G293 A294 M298V250-L296 HydrophobicContact CG1-CD1 4.26Å; V250-L296 HydrophobicContact CG1-CD2 3.6Å; V250-L296 HydrophobicContact CG1-CG 4.11Å; V250-L296 HydrophobicContact CG2-CD2 4.5Å; G293-L296 PolarHBondContact O-N 3.25Å; G293-L296 VanDerWaalsContact O-N 3.08Å; A294-L296 VanDerWaalsContact C-N 3.25Å; A294-L296 PolarHBondContact O-N 3.04Å; L296-M298 VanDerWaalsContact C-N 3.26Å; L296-M298 PolarHBondContact O-N 2.95Å
297N41.9Very low51.2Low132 Ų13299.2 Ų99.271%0.70654%0.541SS*.Hα-helixtrans-72.6-23.3179.1-66.8-9.2000111.3G293 R299G293-N297 VanDerWaalsContact O-CB 3.28Å; G293-N297 WeakPolarHBondContact O-CB 3.34Å; G293-N297 PolarHBondContact O-N 3.01Å; N297-R299 PolarHBondContact O-N 3.44Å
298M36.3Very low48.9Very low130 Ų130105.6 Ų105.664%0.6457%0.571SS**  trans-7158164-68.4-60.1-76.600112.7A294 L296A294-M298 WeakPolarHBondContact O-CG 3.26Å; A294-M298 PolarHBondContact O-N 2.97Å; L296-M298 VanDerWaalsContact C-N 3.26Å; L296-M298 PolarHBondContact O-N 2.95Å
299R35.2Very low46.7Very low201 Ų201110 Ų11076%0.75859%0.592SS**  trans-41.1127.2133.6171.272-176.2164.81.4106.7N297 A301N297-R299 PolarHBondContact O-N 3.44Å; R299-A301 VanDerWaalsContact C-N 3.32Å; R299-A301 PolarHBondContact O-N 3.35Å
300P38.4Very low44.6Very low103 Ų103117.2 Ų117.267%0.66962%0.617SS**  trans-65.795.2178.824.7-33.7000109.9
301A30Very low42.7Very low60 Ų60122.4 Ų122.450%0.49663%0.629SS.*  trans-61.2131.8157.700000107.2R299 L303R299-A301 VanDerWaalsContact C-N 3.32Å; R299-A301 PolarHBondContact O-N 3.35Å; A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 3.13Å
302P39.9Very low40.8Very low131 Ų131128.5 Ų128.585%0.85165%0.653SS**  trans-70.492.2171.8-12.628.3000108.4
303L36.8Very low39.2Very low140 Ų140130.8 Ų130.873%0.73367%0.665SS**  trans-69.3143168.5-66.6-178.4000109.2A301A301-L303 VanDerWaalsContact C-N 3.31Å; A301-L303 PolarHBondContact O-N 3.13Å
304P39.3Very low38.2Very low122 Ų122135.9 Ų135.979%0.79270%0.696SS**  trans-65.7168.1-176.4-22.234.9000114.3E306P304-E306 PolarHBondContact O-N 3.28Å
305L43.8Very low37.3Very low177 Ų177139.8 Ų139.893%0.92772%0.719SS**  trans-72.2112169.7-82.3156.9000111.2
306E36.6Very low36.7Very low184 Ų184144.2 Ų144.286%0.8675%0.748SS**  trans-159.976.4147.9-141.2159.4-160.900106.5P304P304-E306 PolarHBondContact O-N 3.28Å
307E34.6Very low36.2Very low174 Ų174148.5 Ų148.581%0.81377%0.77SS**  85.8102.696.2-175.4164-111.600112.7
308M34.4Very low35.6Very low185 Ų185147.1 Ų147.191%0.91178%0.777SS**  trans-136.2117.6150-159.8168.2-160.700109.2
309E35.9Very low35.4Very low101 Ų101148 Ų14847%0.47279%0.79SS.*  trans-86124.5-164.9-178-173.6-138.500112.4R311E309-R311 VanDerWaalsContact CD-CZ 3.47Å; E309-R311 HydrophobicContact CG-CG 4.39Å; E309-R311 IonicContact OE1-CZ 2.74Å; E309-R311 IonicContact OE1-NH1 3.28Å; E309-R311 PolarHBondContact OE1-NH1 2.82Å; E309-R311 IonicContact OE1-NH2 2.67Å; E309-R311 PolarHBondContact OE1-NH2 2.75Å; E309-R311 IonicContact OE2-CZ 2.83Å; E309-R311 IonicContact OE2-NH1 3.75Å; E309-R311 IonicContact OE2-NH2 2.82Å; E309-R311 PolarHBondContact OE2-NH2 3.14Å
310W32Very low35.2Very low243 Ų243142.5 Ų142.592%0.9279%0.788SS**  trans-134.7133.2148.7-76.4114.7000110.3
311R33.1Very low35.2Very low174 Ų174144.3 Ų144.366%0.65780%0.799SS**  trans-82140.6-156.1-58-176.8-179.7-64.5-17.5114.2E309E309-R311 VanDerWaalsContact CD-CZ 3.47Å; E309-R311 HydrophobicContact CG-CG 4.39Å; E309-R311 IonicContact OE1-CZ 2.74Å; E309-R311 IonicContact OE1-NH1 3.28Å; E309-R311 PolarHBondContact OE1-NH1 2.82Å; E309-R311 IonicContact OE1-NH2 2.67Å; E309-R311 PolarHBondContact OE1-NH2 2.75Å; E309-R311 IonicContact OE2-CZ 2.83Å; E309-R311 IonicContact OE2-NH1 3.75Å; E309-R311 IonicContact OE2-NH2 2.82Å; E309-R311 PolarHBondContact OE2-NH2 3.14Å
312Q29.1Very low35.5Very low195 Ų195144.8 Ų144.891%0.91181%0.81SS**  trans-159.5162.9133.6-108.1146.8105.200110.9
313T30.4Very low35.3Very low135 Ų135145 Ų14583%0.82881%0.809SS**PPolyproline II helixtrans-86.4156.2-154.638.80000115.7
314P37.8Very low35.3Very low121 Ų121146.1 Ų146.179%0.78681%0.808SS**PPolyproline II helixtrans-99.9148.5-166.537.3-35.3000115.6
315P34.4Very low35.7Very low117 Ų117151.4 Ų151.476%0.7681%0.813SS**PPolyproline II helixtrans-100.4156.715335.2-27.6000111.9
316P39.3Very low35.6Very low117 Ų117149.4 Ų149.476%0.7680%0.802SS**PPolyproline II helixtrans-89.2141.3-165.733.4-36.1000116.4
317L40.4Very low36.3Very low177 Ų177150.2 Ų150.293%0.92780%0.797SS**  trans36.797141.2-57.8175.4000119.1
318A30.5Very low36.9Very low102 Ų102152.9 Ų152.984%0.84380%0.8SS**  trans-143.7109157.700000112.5
319T31.4Very low37.8Very low148 Ų148146.2 Ų146.291%0.90878%0.779SS**  trans-53.3122.1-177.5-49.80000116.4
320A31.7Very low39.6Very low87 Ų87145.7 Ų145.772%0.71979%0.786SS**  trans179.8138.5139.200000112.9G322A320-G322 PolarHBondContact O-N 3.04Å
321P37.9Very low41.6Very low141 Ų141144 Ų14492%0.91678%0.78SS**  trans-84.2106.7176.332.4-32.3000111.9
322G35.3Very low44.2Very low70 Ų70138.1 Ų138.172%0.72276%0.759SS**  trans-162.931.5-173.500000116.8A320 F324A320-G322 PolarHBondContact O-N 3.04Å; G322-F324 PolarHBondContact O-N 2.61Å
323T36.6Very low47.1Very low135 Ų135134.1 Ų134.183%0.82875%0.748SS**  trans-75.263-178.6-168.40000113.3R325T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 PolarHBondContact O-N 3.15Å
324F36.1Very low50Low164 Ų164131.1 Ų131.172%0.71972%0.722SS**  trans-69.587165.6-164.6-83.4000108.1G322 L326G322-F324 PolarHBondContact O-N 2.61Å; F324-L326 VanDerWaalsContact C-N 3.34Å; F324-L326 HydrophobicContact CD1-CD2 3.77Å; F324-L326 HydrophobicContact CD1-CG 4.08Å; F324-L326 HydrophobicContact CE1-CD2 3.89Å; F324-L326 PolarHBondContact O-N 3.09Å
325R48.6Very low52.6Low233 Ų233129.3 Ų129.388%0.87970%0.699SS**  trans-54.1101.5166.8-77.3-172.6175.9-174.30.6107.5T323 R327T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 PolarHBondContact O-N 3.15Å; R325-R327 PolarHBondContact O-N 3.47Å
326L42.3Very low55.4Low135 Ų135131.7 Ų131.771%0.70770%0.697SS**  trans-63.294.2-172.5-84.5163.9000110.2F324 R328F324-L326 VanDerWaalsContact C-N 3.34Å; F324-L326 HydrophobicContact CD1-CD2 3.77Å; F324-L326 HydrophobicContact CD1-CG 4.08Å; F324-L326 HydrophobicContact CE1-CD2 3.89Å; F324-L326 PolarHBondContact O-N 3.09Å; L326-R328 PolarHBondContact O-N 3.24Å
327R49.6Very low58Low200 Ų200131 Ų13176%0.75568%0.684SS**THydrogen-bonded Turntrans-46.399.4169.5-178.2-175.9-170-120.54.6108.5R325 G329R325-R327 PolarHBondContact O-N 3.47Å; R327-G329 PolarHBondContact O-N 2.63Å; R327-G329 VanDerWaalsContact O-N 3.13Å
328R48.4Very low60.7Low230 Ų230122.7 Ų122.787%0.86864%0.641SS**THydrogen-bonded Turntrans6.484.8-171.5-163.5-178.3-145.7-79-0.6112.7L326L326-R328 PolarHBondContact O-N 3.24Å
329G52.5Low63.8Low46 Ų46120.3 Ų120.347%0.47461%0.613SS.*  trans-39.7141.1-158.400000116R327 R331R327-G329 PolarHBondContact O-N 2.63Å; R327-G329 VanDerWaalsContact O-N 3.13Å; G329-R331 PolarHBondContact O-N 3.24Å
330S74.4Confident66.9Low89 Ų89116.1 Ų116.162%0.62259%0.594SS**  trans-43.8106.4-171-170.40000111.9F332 L378S330-F332 PolarHBondContact O-N 3.23Å; S330-L378 WeakPolarHBondContact O-CD1 3.41Å
331R74.8Confident70Confident208 Ų208113.3 Ų113.379%0.78557%0.568SS**  trans-75.9125.8-170.4-175.5-179.2-178.6-176.60.5109.1G329 T333G329-R331 PolarHBondContact O-N 3.24Å; R331-T333 PolarHBondContact O-N 3.36Å
332F86.9Confident72.8Confident50 Ų50106.6 Ų106.622%0.21952%0.524CS..  trans-48.7124.2173172.4-107.2000111.8S330 W334 L378 E379 V381 K385S330-F332 PolarHBondContact O-N 3.23Å; F332-W334 AromaticContact CE1-CD2 3.62Å; F332-W334 HydrophobicContact CE1-CD2 3.62Å; F332-W334 AromaticContact CE1-CE2 3.58Å; F332-W334 AromaticContact CE1-CE3 3.73Å; F332-W334 HydrophobicContact CE1-CE3 3.73Å; F332-W334 HydrophobicContact CE1-CG 4.31Å; F332-W334 AromaticContact CE1-CH2 3.84Å; F332-W334 HydrophobicContact CE1-CH2 3.84Å; F332-W334 AromaticContact CE1-CZ2 3.69Å; F332-W334 HydrophobicContact CE1-CZ2 3.69Å; F332-W334 AromaticContact CE1-CZ3 3.85Å; F332-W334 HydrophobicContact CE1-CZ3 3.85Å; F332-W334 AromaticContact CZ-CD2 3.97Å; F332-W334 HydrophobicContact CZ-CD2 3.97Å; F332-W334 AromaticContact CZ-CE3 3.64Å; F332-W334 HydrophobicContact CZ-CE3 3.64Å; F332-W334 HydrophobicContact CZ-CH2 4.18Å; F332-W334 HydrophobicContact CZ-CZ2 4.44Å; F332-W334 AromaticContact CZ-CZ3 3.76Å; F332-W334 HydrophobicContact CZ-CZ3 3.76Å; F332-L378 WeakPolarHBondContact CD2-O 3.4Å; F332-E379 WeakPolarHBondContact CE2-O 3.33Å; F332-V381 HydrophobicContact CZ-CG2 4.17Å; F332-K385 HydrophobicContact CD1-CD 3.73Å; F332-K385 HydrophobicContact CD1-CG 4.22Å; F332-K385 HydrophobicContact CD2-CD 4.35Å; F332-K385 HydrophobicContact CE1-CB 4.32Å; F332-K385 HydrophobicContact CE1-CD 3.68Å; F332-K385 HydrophobicContact CE1-CG 4.2Å; F332-K385 HydrophobicContact CE2-CD 4.3Å; F332-K385 HydrophobicContact CG-CD 4.07Å; F332-K385 HydrophobicContact CZ-CD 3.98Å
333T89.1Confident75.7Confident112 Ų112106.5 Ų106.569%0.68751%0.505SS*.  trans-111.7139.2176.4460000109.8R331 R335R331-T333 PolarHBondContact O-N 3.36Å; T333-R335 PolarHBondContact O-N 3.4Å
334W92.3Very high78.5Confident71 Ų71103.2 Ų103.227%0.26949%0.488SS..  trans-74.3126.6175.8-67.5107.6000110.4F332 C338 L339 M342 V381 K385 V386 W389F332-W334 AromaticContact CE1-CD2 3.62Å; F332-W334 HydrophobicContact CE1-CD2 3.62Å; F332-W334 AromaticContact CE1-CE2 3.58Å; F332-W334 AromaticContact CE1-CE3 3.73Å; F332-W334 HydrophobicContact CE1-CE3 3.73Å; F332-W334 HydrophobicContact CE1-CG 4.31Å; F332-W334 AromaticContact CE1-CH2 3.84Å; F332-W334 HydrophobicContact CE1-CH2 3.84Å; F332-W334 AromaticContact CE1-CZ2 3.69Å; F332-W334 HydrophobicContact CE1-CZ2 3.69Å; F332-W334 AromaticContact CE1-CZ3 3.85Å; F332-W334 HydrophobicContact CE1-CZ3 3.85Å; F332-W334 AromaticContact CZ-CD2 3.97Å; F332-W334 HydrophobicContact CZ-CD2 3.97Å; F332-W334 AromaticContact CZ-CE3 3.64Å; F332-W334 HydrophobicContact CZ-CE3 3.64Å; F332-W334 HydrophobicContact CZ-CH2 4.18Å; F332-W334 HydrophobicContact CZ-CZ2 4.44Å; F332-W334 AromaticContact CZ-CZ3 3.76Å; F332-W334 HydrophobicContact CZ-CZ3 3.76Å; W334-C338 HydrophobicContact CE3-CB 4.01Å; W334-C338 HydrophobicContact CZ3-CB 4.41Å; W334-L339 HydrophobicContact CB-CD1 4.32Å; W334-L339 HydrophobicContact CB-CD2 3.72Å; W334-L339 HydrophobicContact CB-CG 3.96Å; W334-L339 HydrophobicContact CG-CD2 4.05Å; W334-M342 HydrophobicContact CD2-CE 3.71Å; W334-M342 HydrophobicContact CE3-CE 3.36Å; W334-M342 HydrophobicContact CE3-SD 4.3Å; W334-M342 HydrophobicContact CG-CE 4.49Å; W334-M342 HydrophobicContact CH2-CE 3.76Å; W334-M342 HydrophobicContact CH2-SD 3.66Å; W334-M342 HydrophobicContact CZ2-CE 4.09Å; W334-M342 HydrophobicContact CZ2-SD 4.27Å; W334-M342 HydrophobicContact CZ3-CE 3.38Å; W334-M342 HydrophobicContact CZ3-SD 3.68Å; W334-V381 HydrophobicContact CH2-CG1 4Å; W334-V381 HydrophobicContact CZ3-CG1 3.77Å; W334-V381 HydrophobicContact CZ3-CG2 4.13Å; W334-K385 HydrophobicContact CH2-CB 3.83Å; W334-K385 HydrophobicContact CZ2-CB 4.03Å; W334-K385 WeakPolarHBondContact CZ2-O 3.31Å; W334-V386 HydrophobicContact CH2-CG2 4.49Å; W334-W389 AromaticContact CD1-CD1 3.98Å; W334-W389 AromaticContact CE2-CD1 3.76Å; W334-W389 HydrophobicContact CH2-CB 4.38Å; W334-W389 HydrophobicContact CZ2-CB 3.72Å; W334-W389 HydrophobicContact CZ2-CG 4.27Å; W334-W389 AromaticContact NE1-CD1 3.62Å
335R92.6Very high81.3Confident83 Ų8398 Ų9831%0.31346%0.463SS..  trans-74.6150.8167.3-57.9-158.4-162.6153.17109.7T333 E337 C338 L339 I368 E379T333-R335 PolarHBondContact O-N 3.4Å; R335-E337 VanDerWaalsContact C-N 3.29Å; R335-E337 PolarHBondContact O-N 2.83Å; R335-C338 PolarHBondContact O-N 2.79Å; R335-C338 VanDerWaalsContact O-N 3.15Å; R335-L339 PolarHBondContact O-N 2.94Å; R335-I368 HydrophobicContact CB-CG2 4.16Å; R335-I368 HydrophobicContact CG-CG2 4.22Å; R335-I368 VanDerWaalsContact NH1-CB 3.32Å; R335-I368 PolarHBondContact NH1-O 3.34Å; R335-E379 IonicContact CZ-OE1 2.69Å; R335-E379 IonicContact NE-OE1 2.68Å; R335-E379 IonicContact NH2-OE1 3.41Å; R335-E379 PolarHBondContact NH2-OE1 3.29Å
336K92.8Very high83.6Confident167 Ų16787 Ų8773%0.72642%0.422SS*.Hα-helixtrans-55.4-43-178.7-69.6-174176.7-173.20112.3C338 L339 A340K336-C338 VanDerWaalsContact C-N 3.33Å; K336-C338 PolarHBondContact O-N 2.74Å; K336-L339 WeakPolarHBondContact O-CA 3.2Å; K336-L339 WeakPolarHBondContact O-CB 3.37Å; K336-L339 PolarHBondContact O-N 2.67Å; K336-A340 PolarHBondContact O-N 3.4Å
337E94.3Very high86Confident104 Ų10486.6 Ų86.649%0.48642%0.421SS..Hα-helixtrans-60.9-40179.8-31.4-40.811400112.6R335 L339 A340 V341 V367R335-E337 VanDerWaalsContact C-N 3.29Å; R335-E337 PolarHBondContact O-N 2.83Å; E337-L339 VanDerWaalsContact C-N 3.3Å; E337-L339 PolarHBondContact O-N 2.82Å; E337-A340 PolarHBondContact O-N 3.41Å; E337-V341 WeakPolarHBondContact O-CG2 3.32Å; E337-V341 PolarHBondContact O-N 2.95Å; E337-V341 VanDerWaalsContact O-N 3.1Å; E337-V367 HydrophobicContact CB-CG1 3.48Å; E337-V367 VanDerWaalsContact CB-CG1 3.48Å; E337-V367 HydrophobicContact CG-CG1 4.11Å
338C96.1Very high88.1Confident2 Ų283.1 Ų83.11%0.01442%0.417CS..Hα-helixtrans-65.4-34.2174.4-580000112.3W334 R335 K336 M342 C364 I368W334-C338 HydrophobicContact CE3-CB 4.01Å; W334-C338 HydrophobicContact CZ3-CB 4.41Å; R335-C338 PolarHBondContact O-N 2.79Å; R335-C338 VanDerWaalsContact O-N 3.15Å; K336-C338 VanDerWaalsContact C-N 3.33Å; K336-C338 PolarHBondContact O-N 2.74Å; C338-M342 HydrophobicContact CB-CE 4.49Å; C338-M342 WeakPolarHBondContact O-CB 3.5Å; C338-M342 WeakPolarHBondContact O-CE 3.12Å; C338-M342 WeakPolarHBondContact O-CG 3.3Å; C338-M342 PolarHBondContact O-N 2.95Å; C338-C364 HydrophobicContact CB-CB 4.16Å; C338-I368 WeakPolarHBondContact SG-CG2 3.49Å
339L96.4Very high90.2Very high51 Ų5175.8 Ų75.827%0.26740%0.395SS..Hα-helixtrans-65.7-47176.7-65172.1000109.9W334 R335 K336 E337 V341 M342 E343 W389W334-L339 HydrophobicContact CB-CD1 4.32Å; W334-L339 HydrophobicContact CB-CD2 3.72Å; W334-L339 HydrophobicContact CB-CG 3.96Å; W334-L339 HydrophobicContact CG-CD2 4.05Å; R335-L339 PolarHBondContact O-N 2.94Å; K336-L339 WeakPolarHBondContact O-CA 3.2Å; K336-L339 WeakPolarHBondContact O-CB 3.37Å; K336-L339 PolarHBondContact O-N 2.67Å; E337-L339 VanDerWaalsContact C-N 3.3Å; E337-L339 PolarHBondContact O-N 2.82Å; L339-V341 VanDerWaalsContact C-N 3.35Å; L339-V341 PolarHBondContact O-N 2.92Å; L339-M342 HydrophobicContact CD2-CE 4.05Å; L339-M342 PolarHBondContact O-N 3.24Å; L339-E343 VanDerWaalsContact O-CB 3.31Å; L339-E343 WeakPolarHBondContact O-CB 3.4Å; L339-E343 VanDerWaalsContact O-CG 3.26Å; L339-E343 WeakPolarHBondContact O-CG 3.49Å; L339-E343 PolarHBondContact O-N 3.4Å; L339-W389 HydrophobicContact CD2-CZ2 4.4Å
340A96.2Very high92.2Very high60 Ų6077.6 Ų77.650%0.49639%0.391SS..Hα-helixtrans-58.4-44.1176.800000112.5K336 E337 E343 S344K336-A340 PolarHBondContact O-N 3.4Å; E337-A340 PolarHBondContact O-N 3.41Å; A340-E343 PolarHBondContact O-N 3.35Å; A340-S344 PolarHBondContact O-N 3.06Å; A340-S344 VanDerWaalsContact O-N 3.09Å
341V96.4Very high93.2Very high29 Ų2980.6 Ų80.618%0.17639%0.39CS..Hα-helixtrans-59.3-54.6174172.90000110.8E337 L339 E343 S344 Y345 A363 V367E337-V341 WeakPolarHBondContact O-CG2 3.32Å; E337-V341 PolarHBondContact O-N 2.95Å; E337-V341 VanDerWaalsContact O-N 3.1Å; L339-V341 VanDerWaalsContact C-N 3.35Å; L339-V341 PolarHBondContact O-N 2.92Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.47Å; V341-S344 PolarHBondContact O-N 2.88Å; V341-Y345 HydrophobicContact CG1-CD2 3.93Å; V341-Y345 HydrophobicContact CG1-CE2 3.86Å; V341-Y345 WeakPolarHBondContact O-CD2 3.11Å; V341-Y345 PolarHBondContact O-N 2.81Å; V341-A363 HydrophobicContact CG1-CB 4.08Å; V341-V367 HydrophobicContact CG2-CG2 4.42Å
342M96.5Very high94.2Very high0 Ų071 Ų710%035%0.354CS..Hα-helixtrans-64.5-32.3-178.7-69.8-173.4-6200113.3W334 C338 L339 F346 I360 V386 W389 F390W334-M342 HydrophobicContact CD2-CE 3.71Å; W334-M342 HydrophobicContact CE3-CE 3.36Å; W334-M342 HydrophobicContact CE3-SD 4.3Å; W334-M342 HydrophobicContact CG-CE 4.49Å; W334-M342 HydrophobicContact CH2-CE 3.76Å; W334-M342 HydrophobicContact CH2-SD 3.66Å; W334-M342 HydrophobicContact CZ2-CE 4.09Å; W334-M342 HydrophobicContact CZ2-SD 4.27Å; W334-M342 HydrophobicContact CZ3-CE 3.38Å; W334-M342 HydrophobicContact CZ3-SD 3.68Å; C338-M342 HydrophobicContact CB-CE 4.49Å; C338-M342 WeakPolarHBondContact O-CB 3.5Å; C338-M342 WeakPolarHBondContact O-CE 3.12Å; C338-M342 WeakPolarHBondContact O-CG 3.3Å; C338-M342 PolarHBondContact O-N 2.95Å; L339-M342 HydrophobicContact CD2-CE 4.05Å; L339-M342 PolarHBondContact O-N 3.24Å; M342-F346 WeakPolarHBondContact O-CB 3.42Å; M342-F346 PolarHBondContact O-N 3.11Å; M342-I360 HydrophobicContact CG-CG2 3.73Å; M342-V386 HydrophobicContact SD-CG1 4.41Å; M342-V386 HydrophobicContact SD-CG2 4.25Å; M342-W389 HydrophobicContact CB-CD2 4.15Å; M342-W389 HydrophobicContact CB-CE3 3.87Å; M342-W389 HydrophobicContact CB-CH2 3.93Å; M342-W389 HydrophobicContact CB-CZ2 4.19Å; M342-W389 HydrophobicContact CB-CZ3 3.76Å; M342-W389 HydrophobicContact CE-CB 4.22Å; M342-W389 VanDerWaalsContact CE-CD1 3.48Å; M342-W389 HydrophobicContact CE-CD2 3.73Å; M342-W389 HydrophobicContact CE-CE3 4.47Å; M342-W389 HydrophobicContact CE-CG 3.56Å; M342-W389 HydrophobicContact SD-CB 3.95Å; M342-W389 HydrophobicContact SD-CD2 3.87Å; M342-W389 HydrophobicContact SD-CE3 4.14Å; M342-W389 HydrophobicContact SD-CG 3.78Å; M342-F390 HydrophobicContact CB-CE2 4.21Å; M342-F390 HydrophobicContact CG-CE2 4.33Å
343E96.4Very high94.6Very high67 Ų6772.9 Ų72.931%0.31337%0.367SS..Hα-helixtrans-69.1-36176.2-74.9-179.9135.300112.1L339 A340 V341 F346 N347 W389 R393L339-E343 VanDerWaalsContact O-CB 3.31Å; L339-E343 WeakPolarHBondContact O-CB 3.4Å; L339-E343 VanDerWaalsContact O-CG 3.26Å; L339-E343 WeakPolarHBondContact O-CG 3.49Å; L339-E343 PolarHBondContact O-N 3.4Å; A340-E343 PolarHBondContact O-N 3.35Å; V341-E343 VanDerWaalsContact C-N 3.31Å; V341-E343 PolarHBondContact O-N 3.47Å; E343-F346 PolarHBondContact O-N 2.97Å; E343-N347 VanDerWaalsContact O-CG 3.26Å; E343-N347 PolarHBondContact O-N 3.45Å; E343-N347 PolarHBondContact O-ND2 3.19Å; E343-N347 PolarHBondContact O-OD1 3.05Å; E343-W389 HydrophobicContact CB-CH2 4.48Å; E343-W389 HydrophobicContact CG-CH2 3.63Å; E343-W389 HydrophobicContact CG-CZ2 3.72Å; E343-R393 IonicContact OE1-CZ 3.65Å; E343-R393 IonicContact OE1-NH1 3.89Å; E343-R393 PolarHBondContact OE1-NH1 3.24Å; E343-R393 IonicContact OE1-NH2 2.68Å; E343-R393 PolarHBondContact OE1-NH2 3.05Å
344S96.1Very high94.9Very high67 Ų6771.5 Ų71.547%0.46935%0.353SS..Hα-helixtrans-60.7-58.2171.4-1660000110.8A340 V341 F346 N347 D348A340-S344 PolarHBondContact O-N 3.06Å; A340-S344 VanDerWaalsContact O-N 3.09Å; V341-S344 PolarHBondContact O-N 2.88Å; S344-F346 PolarHBondContact O-N 3.24Å; S344-F346 VanDerWaalsContact O-N 3.13Å; S344-N347 WeakPolarHBondContact O-CB 3.42Å; S344-N347 PolarHBondContact O-N 3.27Å; S344-D348 PolarHBondContact O-N 3.27Å
345Y95.1Very high95.1Very high53 Ų5371.1 Ų71.121%0.20836%0.364CS..Hα-helixtrans-60.3-25.9179.2-78.9-81.5000113.4V341 N349 K356 E359 I360V341-Y345 HydrophobicContact CG1-CD2 3.93Å; V341-Y345 HydrophobicContact CG1-CE2 3.86Å; V341-Y345 WeakPolarHBondContact O-CD2 3.11Å; V341-Y345 PolarHBondContact O-N 2.81Å; Y345-N349 CarbonylContact O-C 3.58Å; Y345-N349 PolarHBondContact O-N 2.7Å; Y345-K356 HydrophobicContact CE1-CD 4.28Å; Y345-E359 VanDerWaalsContact CE1-OE1 3.24Å; Y345-E359 WeakPolarHBondContact CE1-OE1 3.41Å; Y345-E359 VanDerWaalsContact CZ-OE1 3.31Å; Y345-E359 PolarHBondContact OH-OE1 3.46Å; Y345-I360 HydrophobicContact CD1-CD1 4.05Å; Y345-I360 HydrophobicContact CD1-CG1 3.79Å; Y345-I360 HydrophobicContact CD2-CD1 4.41Å; Y345-I360 HydrophobicContact CD2-CG1 3.69Å; Y345-I360 HydrophobicContact CE1-CG1 4.03Å; Y345-I360 HydrophobicContact CE2-CG1 3.96Å; Y345-I360 HydrophobicContact CG-CD1 3.87Å; Y345-I360 HydrophobicContact CG-CG1 3.59Å
346F95.8Very high95.2Very high4 Ų470.5 Ų70.52%0.01836%0.364CS..Hα-helixtrans-71.1-33.5175.7-172.9-84.1000113M342 E343 S344 N349 Q350 W389 F390 R393 R394 I397M342-F346 WeakPolarHBondContact O-CB 3.42Å; M342-F346 PolarHBondContact O-N 3.11Å; E343-F346 PolarHBondContact O-N 2.97Å; S344-F346 PolarHBondContact O-N 3.24Å; S344-F346 VanDerWaalsContact O-N 3.13Å; F346-N349 CarbonylContact O-C 3.53Å; F346-Q350 HydrophobicContact CD1-CG 4.09Å; F346-Q350 HydrophobicContact CE1-CB 4.39Å; F346-Q350 HydrophobicContact CE1-CG 3.6Å; F346-Q350 HydrophobicContact CE2-CB 4.08Å; F346-Q350 HydrophobicContact CE2-CG 4.18Å; F346-Q350 HydrophobicContact CZ-CB 3.95Å; F346-Q350 HydrophobicContact CZ-CG 3.64Å; F346-Q350 WeakPolarHBondContact O-CG 3.48Å; F346-Q350 PolarHBondContact O-N 2.98Å; F346-W389 HydrophobicContact CB-CH2 4.34Å; F346-W389 HydrophobicContact CB-CZ3 4.04Å; F346-W389 AromaticContact CD2-CZ3 3.9Å; F346-W389 HydrophobicContact CD2-CZ3 3.9Å; F346-W389 HydrophobicContact CG-CZ3 4.22Å; F346-F390 HydrophobicContact CB-CE1 3.92Å; F346-F390 HydrophobicContact CB-CZ 4.2Å; F346-F390 AromaticContact CD2-CD1 3.55Å; F346-F390 HydrophobicContact CD2-CD1 3.55Å; F346-F390 AromaticContact CD2-CE1 3.73Å; F346-F390 HydrophobicContact CD2-CE1 3.73Å; F346-F390 HydrophobicContact CD2-CG 4.26Å; F346-F390 HydrophobicContact CE2-CD1 4.19Å; F346-F390 HydrophobicContact CG-CE1 4.28Å; F346-R393 HydrophobicContact CD1-CG 4.11Å; F346-R393 HydrophobicContact CD2-CB 4.08Å; F346-R393 HydrophobicContact CD2-CG 3.71Å; F346-R393 HydrophobicContact CE1-CG 3.91Å; F346-R393 HydrophobicContact CE2-CB 3.7Å; F346-R393 HydrophobicContact CE2-CG 3.47Å; F346-R393 VanDerWaalsContact CE2-CG 3.47Å; F346-R393 HydrophobicContact CG-CG 4.04Å; F346-R393 HydrophobicContact CZ-CB 4.19Å; F346-R393 HydrophobicContact CZ-CG 3.6Å; F346-R394 HydrophobicContact CE2-CG 3.75Å; F346-R394 HydrophobicContact CZ-CG 3.8Å; F346-I397 HydrophobicContact CD1-CD1 4.47Å; F346-I397 HydrophobicContact CE1-CD1 3.37Å; F346-I397 HydrophobicContact CZ-CD1 3.61Å
347N93.9Very high95.4Very high125 Ų12565 Ų6567%0.66834%0.339SS*.Hα-helixtrans-69.7-37.8175.5-61.8-25.3000110.7E343 S344E343-N347 VanDerWaalsContact O-CG 3.26Å; E343-N347 PolarHBondContact O-N 3.45Å; E343-N347 PolarHBondContact O-ND2 3.19Å; E343-N347 PolarHBondContact O-OD1 3.05Å; S344-N347 WeakPolarHBondContact O-CB 3.42Å; S344-N347 PolarHBondContact O-N 3.27Å
348D93Very high95.5Very high128 Ų12865.2 Ų65.268%0.68434%0.34SS*.Hα-helixtrans-72.2-46177.4-52.2-37.8000112.2S344S344-D348 PolarHBondContact O-N 3.27Å
349N92.5Very high95.6Very high75 Ų7569 Ų6940%0.40136%0.357SS..  trans-148.9108.7178.6-179.87.3000111.9Y345 F346 Y351 F390Y345-N349 CarbonylContact O-C 3.58Å; Y345-N349 PolarHBondContact O-N 2.7Å; F346-N349 CarbonylContact O-C 3.53Å; N349-Y351 PolarHBondContact ND2-O 2.9Å; N349-Y351 PolarHBondContact O-N 3.37Å; N349-Y351 WeakPolarHBondContact OD1-CA 3.34Å; N349-Y351 PolarHBondContact OD1-N 2.92Å; N349-Y351 PolarHBondContact OD1-O 3.37Å; N349-F390 WeakPolarHBondContact O-CE1 3.3Å
350Q94.8Very high95.6Very high85 Ų8566.6 Ų66.640%0.39735%0.345SS..SBendtrans-68.2-13.1176.5-59.1-167.29.900114.4F346 R394F346-Q350 HydrophobicContact CD1-CG 4.09Å; F346-Q350 HydrophobicContact CE1-CB 4.39Å; F346-Q350 HydrophobicContact CE1-CG 3.6Å; F346-Q350 HydrophobicContact CE2-CB 4.08Å; F346-Q350 HydrophobicContact CE2-CG 4.18Å; F346-Q350 HydrophobicContact CZ-CB 3.95Å; F346-Q350 HydrophobicContact CZ-CG 3.64Å; F346-Q350 WeakPolarHBondContact O-CG 3.48Å; F346-Q350 PolarHBondContact O-N 2.98Å; Q350-R394 HydrophobicContact CB-CG 4.48Å; Q350-R394 PolarHBondContact O-NH1 3.18Å
351Y95.9Very high95.6Very high152 Ų15263.9 Ų63.960%0.59632%0.322SS*.SBendtrans-129.768-177.3-65.1-95.2000111.4N349 R394N349-Y351 PolarHBondContact ND2-O 2.9Å; N349-Y351 PolarHBondContact O-N 3.37Å; N349-Y351 WeakPolarHBondContact OD1-CA 3.34Å; N349-Y351 PolarHBondContact OD1-N 2.92Å; N349-Y351 PolarHBondContact OD1-O 3.37Å; Y351-R394 VanDerWaalsContact CE1-CZ 3.43Å
352P94.8Very high95.6Very high5 Ų567.3 Ų67.33%0.03234%0.34CS..  trans-62.3142.3172.828.4-35.4000110.5K356 R357 I360 F390P352-K356 HydrophobicContact CB-CB 3.92Å; P352-K356 HydrophobicContact CB-CG 4.11Å; P352-R357 HydrophobicContact CB-CG 4.16Å; P352-R357 HydrophobicContact CG-CG 4.03Å; P352-R357 PolarHBondContact O-NE 3.49Å; P352-R357 PolarHBondContact O-NH2 2.66Å; P352-I360 HydrophobicContact CB-CD1 4.15Å; P352-I360 HydrophobicContact CG-CD1 4.35Å; P352-F390 HydrophobicContact CG-CD1 3.58Å; P352-F390 HydrophobicContact CG-CD2 4.3Å; P352-F390 HydrophobicContact CG-CE1 3.67Å; P352-F390 HydrophobicContact CG-CE2 4.4Å; P352-F390 HydrophobicContact CG-CG 3.93Å; P352-F390 HydrophobicContact CG-CZ 4.1Å
353D95.5Very high95.6Very high91 Ų9168.8 Ų68.849%0.48735%0.352SS..  trans-75.1-175.7169.275.2-35.4000110.9K356 R357D353-K356 WeakPolarHBondContact OD1-CB 3.28Å; D353-K356 PolarHBondContact OD1-N 3.28Å; D353-R357 VanDerWaalsContact O-CD 3.25Å; D353-R357 WeakPolarHBondContact O-CD 3.48Å; D353-R357 WeakPolarHBondContact O-CG 3.33Å; D353-R357 PolarHBondContact O-N 2.91Å; D353-R357 PolarHBondContact O-NE 2.9Å; D353-R357 VanDerWaalsContact O-NE 3.16Å
354E95.1Very high95.6Very high83 Ų8365.6 Ų65.639%0.38834%0.337SS..Hα-helixtrans-69.5-39.2-177.1-16162-159.300112.4K356 R357 E358 S383E354-K356 PolarHBondContact O-N 2.74Å; E354-R357 WeakPolarHBondContact O-CB 3.21Å; E354-R357 PolarHBondContact O-N 3.5Å; E354-R357 VanDerWaalsContact OE2-CD 3.28Å; E354-R357 WeakPolarHBondContact OE2-CD 3.46Å; E354-R357 IonicContact OE2-CZ 2.68Å; E354-R357 IonicContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH1 2.78Å; E354-R357 PolarHBondContact OE2-NH1 3.36Å; E354-E358 PolarHBondContact O-N 3.49Å; E354-S383 WeakPolarHBondContact OE1-CB 3.3Å; E354-S383 PolarHBondContact OE1-OG 2.81Å
355A96.1Very high95.6Very high62 Ų6263.1 Ų63.151%0.51232%0.318SS..Hα-helixtrans-61.7-4517700000111.7R357 E358 E359A355-R357 VanDerWaalsContact C-N 3.33Å; A355-R357 PolarHBondContact O-N 3.21Å; A355-E358 PolarHBondContact O-N 3.13Å; A355-E359 PolarHBondContact O-N 3.42Å
356K95.3Very high95.5Very high70 Ų7063.7 Ų63.730%0.30433%0.334SS..Hα-helixtrans-69.2-29.4176.8-160.456.2147.3179.40112.5Y345 P352 D353 E354 E359 I360Y345-K356 HydrophobicContact CE1-CD 4.28Å; P352-K356 HydrophobicContact CB-CB 3.92Å; P352-K356 HydrophobicContact CB-CG 4.11Å; D353-K356 WeakPolarHBondContact OD1-CB 3.28Å; D353-K356 PolarHBondContact OD1-N 3.28Å; E354-K356 PolarHBondContact O-N 2.74Å; K356-E359 HydrophobicContact CD-CB 4.26Å; K356-E359 WeakPolarHBondContact CD-OE2 3.4Å; K356-E359 IonicContact NZ-OE1 2.89Å; K356-E359 PolarHBondContact NZ-OE1 3.01Å; K356-E359 IonicContact NZ-OE2 2.99Å; K356-E359 PolarHBondContact NZ-OE2 3.47Å; K356-E359 PolarHBondContact O-N 3.35Å; K356-I360 HydrophobicContact CG-CD1 4.21Å; K356-I360 WeakPolarHBondContact O-CB 3.38Å; K356-I360 VanDerWaalsContact O-CD1 3.3Å; K356-I360 WeakPolarHBondContact O-CD1 3.28Å; K356-I360 WeakPolarHBondContact O-CG1 3.49Å; K356-I360 PolarHBondContact O-N 3.26Å
357R97Very high95.4Very high51 Ų5167.5 Ų67.519%0.19236%0.357CS..Hα-helixtrans-67.2-37171.1-68.5159.1-152168.27.8112.4P352 D353 E354 A355 A361 V386P352-R357 HydrophobicContact CB-CG 4.16Å; P352-R357 HydrophobicContact CG-CG 4.03Å; P352-R357 PolarHBondContact O-NE 3.49Å; P352-R357 PolarHBondContact O-NH2 2.66Å; D353-R357 VanDerWaalsContact O-CD 3.25Å; D353-R357 WeakPolarHBondContact O-CD 3.48Å; D353-R357 WeakPolarHBondContact O-CG 3.33Å; D353-R357 PolarHBondContact O-N 2.91Å; D353-R357 PolarHBondContact O-NE 2.9Å; D353-R357 VanDerWaalsContact O-NE 3.16Å; E354-R357 WeakPolarHBondContact O-CB 3.21Å; E354-R357 PolarHBondContact O-N 3.5Å; E354-R357 VanDerWaalsContact OE2-CD 3.28Å; E354-R357 WeakPolarHBondContact OE2-CD 3.46Å; E354-R357 IonicContact OE2-CZ 2.68Å; E354-R357 IonicContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH1 2.78Å; E354-R357 PolarHBondContact OE2-NH1 3.36Å; A355-R357 VanDerWaalsContact C-N 3.33Å; A355-R357 PolarHBondContact O-N 3.21Å; R357-A361 VanDerWaalsContact O-CB 3.26Å; R357-A361 WeakPolarHBondContact O-CB 3.44Å; R357-A361 PolarHBondContact O-N 2.78Å; R357-V386 HydrophobicContact CB-CG1 4.4Å; R357-V386 HydrophobicContact CG-CG1 4.34Å
358E97.1Very high95.3Very high110 Ų11061.8 Ų61.851%0.51433%0.327SS..Hα-helixtrans-67.2-43.5173.1-72.3-169.4161.300111.4E354 A355 I360 A361 N362E354-E358 PolarHBondContact O-N 3.49Å; A355-E358 PolarHBondContact O-N 3.13Å; E358-I360 PolarHBondContact O-N 3Å; E358-A361 PolarHBondContact O-N 2.97Å; E358-N362 WeakPolarHBondContact O-CB 3.19Å; E358-N362 VanDerWaalsContact O-CG 3.23Å; E358-N362 PolarHBondContact O-N 2.82Å; E358-N362 PolarHBondContact O-ND2 2.69Å; E358-N362 VanDerWaalsContact O-ND2 3.16Å
359E96.7Very high95.1Very high80 Ų8060.7 Ų60.737%0.37432%0.317SS..Hα-helixtrans-55.3-51.2172-169.8-163.9120.100111.3Y345 A355 K356 A361 N362 A363Y345-E359 VanDerWaalsContact CE1-OE1 3.24Å; Y345-E359 WeakPolarHBondContact CE1-OE1 3.41Å; Y345-E359 VanDerWaalsContact CZ-OE1 3.31Å; Y345-E359 PolarHBondContact OH-OE1 3.46Å; A355-E359 PolarHBondContact O-N 3.42Å; K356-E359 HydrophobicContact CD-CB 4.26Å; K356-E359 WeakPolarHBondContact CD-OE2 3.4Å; K356-E359 IonicContact NZ-OE1 2.89Å; K356-E359 PolarHBondContact NZ-OE1 3.01Å; K356-E359 IonicContact NZ-OE2 2.99Å; K356-E359 PolarHBondContact NZ-OE2 3.47Å; K356-E359 PolarHBondContact O-N 3.35Å; E359-A361 VanDerWaalsContact C-N 3.35Å; E359-A361 PolarHBondContact O-N 3.36Å; E359-N362 PolarHBondContact O-N 2.94Å; E359-A363 WeakPolarHBondContact O-CB 3.24Å; E359-A363 PolarHBondContact O-N 3.41Å
360I96.6Very high94.6Very high1 Ų163.9 Ų63.91%0.00533%0.328CS..Hα-helixtrans-62.1-40.6178.3-67.1162000111.3M342 Y345 P352 K356 E358 N362 A363 C364 V386 F390M342-I360 HydrophobicContact CG-CG2 3.73Å; Y345-I360 HydrophobicContact CD1-CD1 4.05Å; Y345-I360 HydrophobicContact CD1-CG1 3.79Å; Y345-I360 HydrophobicContact CD2-CD1 4.41Å; Y345-I360 HydrophobicContact CD2-CG1 3.69Å; Y345-I360 HydrophobicContact CE1-CG1 4.03Å; Y345-I360 HydrophobicContact CE2-CG1 3.96Å; Y345-I360 HydrophobicContact CG-CD1 3.87Å; Y345-I360 HydrophobicContact CG-CG1 3.59Å; P352-I360 HydrophobicContact CB-CD1 4.15Å; P352-I360 HydrophobicContact CG-CD1 4.35Å; K356-I360 HydrophobicContact CG-CD1 4.21Å; K356-I360 WeakPolarHBondContact O-CB 3.38Å; K356-I360 VanDerWaalsContact O-CD1 3.3Å; K356-I360 WeakPolarHBondContact O-CD1 3.28Å; K356-I360 WeakPolarHBondContact O-CG1 3.49Å; K356-I360 PolarHBondContact O-N 3.26Å; E358-I360 PolarHBondContact O-N 3Å; I360-N362 VanDerWaalsContact C-N 3.35Å; I360-A363 PolarHBondContact O-N 3.19Å; I360-C364 WeakPolarHBondContact O-CB 3.38Å; I360-C364 PolarHBondContact O-N 2.95Å; I360-C364 PolarHBondContact O-SG 3.21Å; I360-V386 HydrophobicContact CB-CG1 4.08Å; I360-V386 HydrophobicContact CD1-CG1 4.46Å; I360-V386 HydrophobicContact CG2-CG1 3.65Å; I360-V386 HydrophobicContact CG2-CG2 4.06Å; I360-F390 HydrophobicContact CD1-CE2 4.09Å; I360-F390 HydrophobicContact CD1-CZ 3.85Å; I360-F390 HydrophobicContact CG2-CE2 4.47Å
361A97.1Very high93.9Very high3 Ų366.1 Ų66.13%0.02535%0.35CS..Hα-helixtrans-64.9-39.6176.500000111.7R357 E358 E359 N365 V381 V386R357-A361 VanDerWaalsContact O-CB 3.26Å; R357-A361 WeakPolarHBondContact O-CB 3.44Å; R357-A361 PolarHBondContact O-N 2.78Å; E358-A361 PolarHBondContact O-N 2.97Å; E359-A361 VanDerWaalsContact C-N 3.35Å; E359-A361 PolarHBondContact O-N 3.36Å; A361-N365 WeakPolarHBondContact O-CB 3.43Å; A361-N365 PolarHBondContact O-N 3.46Å; A361-N365 PolarHBondContact O-ND2 2.68Å; A361-V381 HydrophobicContact CB-CG1 4.02Å; A361-V386 HydrophobicContact CB-CG2 3.91Å
362N96.4Very high92.9Very high102 Ų10263.2 Ų63.255%0.54537%0.366SS..Hα-helixtrans-69.4-42.5176.8-71.8-30.1000112E358 E359 I360 N365 A366E358-N362 WeakPolarHBondContact O-CB 3.19Å; E358-N362 VanDerWaalsContact O-CG 3.23Å; E358-N362 PolarHBondContact O-N 2.82Å; E358-N362 PolarHBondContact O-ND2 2.69Å; E358-N362 VanDerWaalsContact O-ND2 3.16Å; E359-N362 PolarHBondContact O-N 2.94Å; I360-N362 VanDerWaalsContact C-N 3.35Å; N362-N365 PolarHBondContact O-N 3.01Å; N362-A366 WeakPolarHBondContact O-CB 3.34Å; N362-A366 PolarHBondContact O-N 2.93Å
363A96.2Very high92.3Very high30 Ų3070.3 Ų70.325%0.24840%0.397CS..Hα-helixtrans-59.9-46.8172.500000111.5V341 E359 I360 N365 A366 V367V341-A363 HydrophobicContact CG1-CB 4.08Å; E359-A363 WeakPolarHBondContact O-CB 3.24Å; E359-A363 PolarHBondContact O-N 3.41Å; I360-A363 PolarHBondContact O-N 3.19Å; A363-N365 PolarHBondContact O-N 2.78Å; A363-A366 PolarHBondContact O-N 3.46Å; A363-V367 WeakPolarHBondContact O-CG2 3.47Å; A363-V367 PolarHBondContact O-N 3.45Å
364C96.4Very high91.7Very high0 Ų075.4 Ų75.40%041%0.414CS..Hα-helixtrans-57.8-49.4173.3-70.30000111.5C338 I360 A366 V367 I368 V381C338-C364 HydrophobicContact CB-CB 4.16Å; I360-C364 WeakPolarHBondContact O-CB 3.38Å; I360-C364 PolarHBondContact O-N 2.95Å; I360-C364 PolarHBondContact O-SG 3.21Å; C364-A366 PolarHBondContact O-N 3.05Å; C364-V367 PolarHBondContact O-N 2.99Å; C364-I368 WeakPolarHBondContact O-CG1 3.46Å; C364-I368 PolarHBondContact O-N 3.16Å; C364-I368 VanDerWaalsContact O-N 3.08Å; C364-V381 HydrophobicContact CB-CB 4.15Å; C364-V381 HydrophobicContact CB-CG1 4.11Å; C364-V381 HydrophobicContact CB-CG2 3.89Å
365N95.5Very high91.1Very high15 Ų1572.5 Ų72.58%0.0840%0.401CS..Hα-helixtrans-57.5-45178.5-79.7-38.2000112.2A361 N362 A363 V367 I368 Q369 L375 V381A361-N365 WeakPolarHBondContact O-CB 3.43Å; A361-N365 PolarHBondContact O-N 3.46Å; A361-N365 PolarHBondContact O-ND2 2.68Å; N362-N365 PolarHBondContact O-N 3.01Å; A363-N365 PolarHBondContact O-N 2.78Å; N365-V367 VanDerWaalsContact C-N 3.33Å; N365-V367 PolarHBondContact O-N 3.49Å; N365-I368 WeakPolarHBondContact O-CG1 3.5Å; N365-I368 PolarHBondContact O-N 3.17Å; N365-Q369 VanDerWaalsContact O-CB 3.32Å; N365-Q369 WeakPolarHBondContact O-CB 3.25Å; N365-Q369 PolarHBondContact O-N 2.9Å; N365-L375 HydrophobicContact CB-CD1 3.93Å; N365-V381 PolarHBondContact ND2-O 2.72Å; N365-V381 PolarHBondContact OD1-N 3.19Å
366A94.2Very high90.6Very high66 Ų6671.9 Ų71.955%0.54539%0.393SS..Hα-helixtrans-58.8-43.5178.800000112N362 A363 C364 Q369N362-A366 WeakPolarHBondContact O-CB 3.34Å; N362-A366 PolarHBondContact O-N 2.93Å; A363-A366 PolarHBondContact O-N 3.46Å; C364-A366 PolarHBondContact O-N 3.05Å; A366-Q369 PolarHBondContact O-N 3.27Å
367V93.2Very high90Very high83 Ų8374 Ų7450%0.50341%0.408SS..Hα-helixtrans-71.6-29.5178.9-177.60000112.5E337 V341 A363 C364 N365E337-V367 HydrophobicContact CB-CG1 3.48Å; E337-V367 VanDerWaalsContact CB-CG1 3.48Å; E337-V367 HydrophobicContact CG-CG1 4.11Å; V341-V367 HydrophobicContact CG2-CG2 4.42Å; A363-V367 WeakPolarHBondContact O-CG2 3.47Å; A363-V367 PolarHBondContact O-N 3.45Å; C364-V367 PolarHBondContact O-N 2.99Å; N365-V367 VanDerWaalsContact C-N 3.33Å; N365-V367 PolarHBondContact O-N 3.49Å
368I91.1Very high89.3Confident6 Ų676.2 Ų76.23%0.03142%0.423CS..Hα-helixtrans-86.4-13.5176.362.4159.4000115R335 C338 C364 N365 L375 E379 V381R335-I368 HydrophobicContact CB-CG2 4.16Å; R335-I368 HydrophobicContact CG-CG2 4.22Å; R335-I368 VanDerWaalsContact NH1-CB 3.32Å; R335-I368 PolarHBondContact NH1-O 3.34Å; C338-I368 WeakPolarHBondContact SG-CG2 3.49Å; C364-I368 WeakPolarHBondContact O-CG1 3.46Å; C364-I368 PolarHBondContact O-N 3.16Å; C364-I368 VanDerWaalsContact O-N 3.08Å; N365-I368 WeakPolarHBondContact O-CG1 3.5Å; N365-I368 PolarHBondContact O-N 3.17Å; I368-L375 HydrophobicContact CB-CD2 4.42Å; I368-L375 HydrophobicContact CD1-CD1 3.98Å; I368-L375 HydrophobicContact CD1-CD2 3.86Å; I368-L375 HydrophobicContact CG1-CD1 3.88Å; I368-L375 HydrophobicContact CG1-CD2 3.86Å; I368-E379 WeakPolarHBondContact CD1-O 3.05Å; I368-V381 HydrophobicContact CD1-CG2 4.14Å
369Q89.7Confident88.9Confident104 Ų10474.8 Ų74.849%0.48642%0.416SS..PPolyproline II helixtrans-78125.7-179.2-174.9166.3-11.300111.1N365 A366 L375N365-Q369 VanDerWaalsContact O-CB 3.32Å; N365-Q369 WeakPolarHBondContact O-CB 3.25Å; N365-Q369 PolarHBondContact O-N 2.9Å; A366-Q369 PolarHBondContact O-N 3.27Å; Q369-L375 HydrophobicContact CB-CD1 4.19Å; Q369-L375 HydrophobicContact CB-CD2 4.37Å; Q369-L375 HydrophobicContact CB-CG 4.09Å; Q369-L375 HydrophobicContact CG-CG 4.36Å
370K82.7Confident88.7Confident143 Ų14375.8 Ų75.862%0.62242%0.417SS*.PPolyproline II helixtrans-90.1142.3176.5-66.4-171.4175.8-172.80110.2G372 K373K370-G372 PolarHBondContact O-N 3.26Å; K370-K373 PolarHBondContact O-N 3.16Å; K370-K373 VanDerWaalsContact O-O 3.13Å
371P79.4Confident88.6Confident132 Ų13275.9 Ų75.986%0.85742%0.417SS*.THydrogen-bonded Turntrans-55.2136.8175.123.3-33.4000110.5K373P371-K373 VanDerWaalsContact C-N 3.26Å; P371-K373 PolarHBondContact O-N 2.96Å
372G74.8Confident88.5Confident91 Ų9178.4 Ų78.494%0.93843%0.432SS*.THydrogen-bonded Turntrans73.1-0-176.900000116.4K370K370-G372 PolarHBondContact O-N 3.26Å
373K82.7Confident88.6Confident154 Ų15474.6 Ų74.667%0.6741%0.414SS*.  trans-129119.5178.7-61.8-167.6179.2-1710112.2K370 P371K370-K373 PolarHBondContact O-N 3.16Å; K370-K373 VanDerWaalsContact O-O 3.13Å; P371-K373 VanDerWaalsContact C-N 3.26Å; P371-K373 PolarHBondContact O-N 2.96Å
374K81.8Confident88.5Confident198 Ų19878.4 Ų78.486%0.86143%0.429SS*.PPolyproline II helixtrans-65.1141.9168.7-65.5-177.1179.5-179.60109.3
375L83.4Confident88.5Confident21 Ų2180.6 Ų80.611%0.1144%0.439CS..PPolyproline II helixtrans-65.1139.8173.9-70.3170.7000110.7N365 I368 Q369N365-L375 HydrophobicContact CB-CD1 3.93Å; I368-L375 HydrophobicContact CB-CD2 4.42Å; I368-L375 HydrophobicContact CD1-CD1 3.98Å; I368-L375 HydrophobicContact CD1-CD2 3.86Å; I368-L375 HydrophobicContact CG1-CD1 3.88Å; I368-L375 HydrophobicContact CG1-CD2 3.86Å; Q369-L375 HydrophobicContact CB-CD1 4.19Å; Q369-L375 HydrophobicContact CB-CD2 4.37Å; Q369-L375 HydrophobicContact CB-CG 4.09Å; Q369-L375 HydrophobicContact CG-CG 4.36Å
376S85.2Confident88.6Confident49 Ų4979.9 Ų79.934%0.34344%0.435SS..PPolyproline II helixtrans-72.4145.1168.270.80000110.1L378 E379 R380S376-L378 PolarHBondContact O-N 2.91Å; S376-L378 VanDerWaalsContact O-N 3.16Å; S376-E379 CarbonylContact O-C 3.57Å; S376-E379 PolarHBondContact O-N 2.76Å; S376-E379 VanDerWaalsContact OG-CG 3.27Å; S376-E379 WeakPolarHBondContact OG-CG 3.37Å; S376-E379 PolarHBondContact OG-N 3.46Å; S376-E379 PolarHBondContact OG-OE2 3.17Å; S376-R380 PolarHBondContact O-N 2.72Å
377D82Confident88.7Confident116 Ų11681.5 Ų81.562%0.6243%0.428SS*.THydrogen-bonded Turntrans-67.1-18.5-178.5-57.3-55.9000113R380D377-R380 IonicContact OD1-CZ 3.16Å; D377-R380 IonicContact OD1-NE 2.78Å; D377-R380 PolarHBondContact OD1-NE 2.81Å; D377-R380 IonicContact OD1-NH2 2.77Å; D377-R380 PolarHBondContact OD1-NH2 2.79Å
378L83.9Confident88.9Confident97 Ų9781.2 Ų81.251%0.50842%0.424SS..THydrogen-bonded Turntrans-63.4-43.1169-163.372.5000111.6S330 F332 S376 K385S330-L378 WeakPolarHBondContact O-CD1 3.41Å; F332-L378 WeakPolarHBondContact CD2-O 3.4Å; S376-L378 PolarHBondContact O-N 2.91Å; S376-L378 VanDerWaalsContact O-N 3.16Å; L378-K385 PolarHBondContact O-NZ 3.16Å
379E87.3Confident89.2Confident79 Ų7982.1 Ų82.137%0.36943%0.427SS..THydrogen-bonded Turntrans-89.4-22-179.4-65.2174102.300113.9F332 R335 I368 S376 V381F332-E379 WeakPolarHBondContact CE2-O 3.33Å; R335-E379 IonicContact CZ-OE1 2.69Å; R335-E379 IonicContact NE-OE1 2.68Å; R335-E379 IonicContact NH2-OE1 3.41Å; R335-E379 PolarHBondContact NH2-OE1 3.29Å; I368-E379 WeakPolarHBondContact CD1-O 3.05Å; S376-E379 CarbonylContact O-C 3.57Å; S376-E379 PolarHBondContact O-N 2.76Å; S376-E379 VanDerWaalsContact OG-CG 3.27Å; S376-E379 WeakPolarHBondContact OG-CG 3.37Å; S376-E379 PolarHBondContact OG-N 3.46Å; S376-E379 PolarHBondContact OG-OE2 3.17Å; E379-V381 PolarHBondContact O-N 2.84Å
380R92.3Very high89.5Confident101 Ų10177.2 Ų77.238%0.38140%0.404SS..  trans-54.7128.6-179.4-176.3-171-59.9-820.8111.6S376 D377 K385S376-R380 PolarHBondContact O-N 2.72Å; D377-R380 IonicContact OD1-CZ 3.16Å; D377-R380 IonicContact OD1-NE 2.78Å; D377-R380 PolarHBondContact OD1-NE 2.81Å; D377-R380 IonicContact OD1-NH2 2.77Å; D377-R380 PolarHBondContact OD1-NH2 2.79Å; R380-K385 PolarHBondContact O-NZ 2.89Å
381V95.4Very high90.1Very high3 Ų371.2 Ų71.22%0.01838%0.38CS..  trans-79.9141.3170.1-1720000109.4F332 W334 A361 C364 N365 I368 E379 V386F332-V381 HydrophobicContact CZ-CG2 4.17Å; W334-V381 HydrophobicContact CH2-CG1 4Å; W334-V381 HydrophobicContact CZ3-CG1 3.77Å; W334-V381 HydrophobicContact CZ3-CG2 4.13Å; A361-V381 HydrophobicContact CB-CG1 4.02Å; C364-V381 HydrophobicContact CB-CB 4.15Å; C364-V381 HydrophobicContact CB-CG1 4.11Å; C364-V381 HydrophobicContact CB-CG2 3.89Å; N365-V381 PolarHBondContact ND2-O 2.72Å; N365-V381 PolarHBondContact OD1-N 3.19Å; I368-V381 HydrophobicContact CD1-CG2 4.14Å; E379-V381 PolarHBondContact O-N 2.84Å; V381-V386 HydrophobicContact CG1-CG2 3.75Å
382T96.1Very high91Very high56 Ų5669.3 Ų69.334%0.34436%0.363SS..  trans-131.2158.4178.161.60000109.8L384 K385 V386T382-L384 PolarHBondContact O-N 3.34Å; T382-K385 WeakPolarHBondContact O-CA 3.36Å; T382-K385 WeakPolarHBondContact O-CB 3.42Å; T382-K385 PolarHBondContact O-N 3.23Å; T382-K385 WeakPolarHBondContact OG1-CG 3.49Å; T382-K385 PolarHBondContact OG1-N 2.9Å; T382-V386 PolarHBondContact O-N 3.35Å
383S96.5Very high92Very high22 Ų2268.4 Ų68.415%0.15433%0.331CS..Hα-helixtrans-54.6-41.2178.965.90000112.1E354 K385 V386 Y387E354-S383 WeakPolarHBondContact OE1-CB 3.3Å; E354-S383 PolarHBondContact OE1-OG 2.81Å; S383-K385 PolarHBondContact O-N 3.19Å; S383-V386 CarbonylContact O-C 3.58Å; S383-V386 WeakPolarHBondContact O-CB 3.21Å; S383-V386 PolarHBondContact O-N 2.99Å; S383-V386 VanDerWaalsContact O-N 3.12Å; S383-Y387 PolarHBondContact O-N 2.89Å
384L96.1Very high92.6Very high110 Ų11063.7 Ų63.758%0.57631%0.309SS*.Hα-helixtrans-60.8-37.9174.3-178.562.4000113.2T382 N388T382-L384 PolarHBondContact O-N 3.34Å; L384-N388 WeakPolarHBondContact O-CB 3.45Å; L384-N388 PolarHBondContact O-N 3.11Å; L384-N388 VanDerWaalsContact O-N 3.13Å; L384-N388 PolarHBondContact O-ND2 3.16Å
385K95.4Very high93.2Very high47 Ų4760.9 Ų60.920%0.20430%0.297CS..Hα-helixtrans-64.7-44.9173.3-74.1171.4172.7-175.10109.9F332 W334 L378 R380 T382 S383 N388 W389F332-K385 HydrophobicContact CD1-CD 3.73Å; F332-K385 HydrophobicContact CD1-CG 4.22Å; F332-K385 HydrophobicContact CD2-CD 4.35Å; F332-K385 HydrophobicContact CE1-CB 4.32Å; F332-K385 HydrophobicContact CE1-CD 3.68Å; F332-K385 HydrophobicContact CE1-CG 4.2Å; F332-K385 HydrophobicContact CE2-CD 4.3Å; F332-K385 HydrophobicContact CG-CD 4.07Å; F332-K385 HydrophobicContact CZ-CD 3.98Å; W334-K385 HydrophobicContact CH2-CB 3.83Å; W334-K385 HydrophobicContact CZ2-CB 4.03Å; W334-K385 WeakPolarHBondContact CZ2-O 3.31Å; L378-K385 PolarHBondContact O-NZ 3.16Å; R380-K385 PolarHBondContact O-NZ 2.89Å; T382-K385 WeakPolarHBondContact O-CA 3.36Å; T382-K385 WeakPolarHBondContact O-CB 3.42Å; T382-K385 PolarHBondContact O-N 3.23Å; T382-K385 WeakPolarHBondContact OG1-CG 3.49Å; T382-K385 PolarHBondContact OG1-N 2.9Å; S383-K385 PolarHBondContact O-N 3.19Å; K385-N388 PolarHBondContact O-N 3.36Å; K385-W389 PolarHBondContact O-N 3.33Å
386V96.9Very high93.8Very high0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-61.6-49.1176.6177.80000111.4W334 M342 R357 I360 A361 V381 T382 S383 N388 W389 F390W334-V386 HydrophobicContact CH2-CG2 4.49Å; M342-V386 HydrophobicContact SD-CG1 4.41Å; M342-V386 HydrophobicContact SD-CG2 4.25Å; R357-V386 HydrophobicContact CB-CG1 4.4Å; R357-V386 HydrophobicContact CG-CG1 4.34Å; I360-V386 HydrophobicContact CB-CG1 4.08Å; I360-V386 HydrophobicContact CD1-CG1 4.46Å; I360-V386 HydrophobicContact CG2-CG1 3.65Å; I360-V386 HydrophobicContact CG2-CG2 4.06Å; A361-V386 HydrophobicContact CB-CG2 3.91Å; V381-V386 HydrophobicContact CG1-CG2 3.75Å; T382-V386 PolarHBondContact O-N 3.35Å; S383-V386 CarbonylContact O-C 3.58Å; S383-V386 WeakPolarHBondContact O-CB 3.21Å; S383-V386 PolarHBondContact O-N 2.99Å; S383-V386 VanDerWaalsContact O-N 3.12Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 2.87Å; V386-W389 WeakPolarHBondContact O-CA 3.28Å; V386-W389 WeakPolarHBondContact O-CB 3.37Å; V386-W389 PolarHBondContact O-N 3.38Å; V386-F390 HydrophobicContact CG1-CD2 3.63Å; V386-F390 HydrophobicContact CG1-CE2 3.63Å; V386-F390 WeakPolarHBondContact O-CD2 3.39Å; V386-F390 PolarHBondContact O-N 2.91Å
387Y97.1Very high94Very high100 Ų10063.3 Ų63.339%0.39230%0.304SS..Hα-helixtrans-50.7-48.9174.8173.7-104.4000112S383 W389 F390 A391S383-Y387 PolarHBondContact O-N 2.89Å; Y387-W389 VanDerWaalsContact C-N 3.32Å; Y387-W389 PolarHBondContact O-N 2.91Å; Y387-F390 PolarHBondContact O-N 2.97Å; Y387-A391 VanDerWaalsContact O-CB 3.3Å; Y387-A391 WeakPolarHBondContact O-CB 3.28Å; Y387-A391 PolarHBondContact O-N 3.49Å
388N96.8Very high94.6Very high77 Ų7765.6 Ų65.641%0.41231%0.309SS..Hα-helixtrans-65-34.3178.1-84.3-84.9000112.4L384 K385 V386 N392L384-N388 WeakPolarHBondContact O-CB 3.45Å; L384-N388 PolarHBondContact O-N 3.11Å; L384-N388 VanDerWaalsContact O-N 3.13Å; L384-N388 PolarHBondContact O-ND2 3.16Å; K385-N388 PolarHBondContact O-N 3.36Å; V386-N388 VanDerWaalsContact C-N 3.29Å; V386-N388 PolarHBondContact O-N 2.87Å; N388-N392 WeakPolarHBondContact O-CB 3.48Å; N388-N392 PolarHBondContact O-N 3.17Å; N388-N392 VanDerWaalsContact O-N 3.14Å; N388-N392 PolarHBondContact O-ND2 3.31Å
389W97Very high94.9Very high25 Ų2568 Ų6810%0.09531%0.311CS..Hα-helixtrans-66.1-51.2173.5-173.396.9000111.2W334 L339 M342 E343 F346 K385 V386 Y387 A391 N392 R393W334-W389 AromaticContact CD1-CD1 3.98Å; W334-W389 AromaticContact CE2-CD1 3.76Å; W334-W389 HydrophobicContact CH2-CB 4.38Å; W334-W389 HydrophobicContact CZ2-CB 3.72Å; W334-W389 HydrophobicContact CZ2-CG 4.27Å; W334-W389 AromaticContact NE1-CD1 3.62Å; L339-W389 HydrophobicContact CD2-CZ2 4.4Å; M342-W389 HydrophobicContact CB-CD2 4.15Å; M342-W389 HydrophobicContact CB-CE3 3.87Å; M342-W389 HydrophobicContact CB-CH2 3.93Å; M342-W389 HydrophobicContact CB-CZ2 4.19Å; M342-W389 HydrophobicContact CB-CZ3 3.76Å; M342-W389 HydrophobicContact CE-CB 4.22Å; M342-W389 VanDerWaalsContact CE-CD1 3.48Å; M342-W389 HydrophobicContact CE-CD2 3.73Å; M342-W389 HydrophobicContact CE-CE3 4.47Å; M342-W389 HydrophobicContact CE-CG 3.56Å; M342-W389 HydrophobicContact SD-CB 3.95Å; M342-W389 HydrophobicContact SD-CD2 3.87Å; M342-W389 HydrophobicContact SD-CE3 4.14Å; M342-W389 HydrophobicContact SD-CG 3.78Å; E343-W389 HydrophobicContact CB-CH2 4.48Å; E343-W389 HydrophobicContact CG-CH2 3.63Å; E343-W389 HydrophobicContact CG-CZ2 3.72Å; F346-W389 HydrophobicContact CB-CH2 4.34Å; F346-W389 HydrophobicContact CB-CZ3 4.04Å; F346-W389 AromaticContact CD2-CZ3 3.9Å; F346-W389 HydrophobicContact CD2-CZ3 3.9Å; F346-W389 HydrophobicContact CG-CZ3 4.22Å; K385-W389 PolarHBondContact O-N 3.33Å; V386-W389 WeakPolarHBondContact O-CA 3.28Å; V386-W389 WeakPolarHBondContact O-CB 3.37Å; V386-W389 PolarHBondContact O-N 3.38Å; Y387-W389 VanDerWaalsContact C-N 3.32Å; Y387-W389 PolarHBondContact O-N 2.91Å; W389-A391 PolarHBondContact O-N 3.15Å; W389-N392 CarbonylContact O-C 3.58Å; W389-N392 PolarHBondContact O-N 3.31Å; W389-N392 VanDerWaalsContact O-N 3.11Å; W389-R393 HydrophobicContact CE3-CB 4.21Å; W389-R393 HydrophobicContact CH2-CB 4.23Å; W389-R393 HydrophobicContact CH2-CG 3.93Å; W389-R393 HydrophobicContact CZ2-CG 4.49Å; W389-R393 HydrophobicContact CZ3-CB 4.01Å; W389-R393 HydrophobicContact CZ3-CG 4.07Å; W389-R393 WeakPolarHBondContact O-CB 3.48Å; W389-R393 PolarHBondContact O-N 2.83Å
390F97.5Very high95.1Very high1 Ų170.7 Ų70.70%0.00432%0.318CS..Hα-helixtrans-58.9-45.3178.8-86.4-106.2000111.8M342 F346 N349 P352 I360 V386 Y387 N392 R393 R394M342-F390 HydrophobicContact CB-CE2 4.21Å; M342-F390 HydrophobicContact CG-CE2 4.33Å; F346-F390 HydrophobicContact CB-CE1 3.92Å; F346-F390 HydrophobicContact CB-CZ 4.2Å; F346-F390 AromaticContact CD2-CD1 3.55Å; F346-F390 HydrophobicContact CD2-CD1 3.55Å; F346-F390 AromaticContact CD2-CE1 3.73Å; F346-F390 HydrophobicContact CD2-CE1 3.73Å; F346-F390 HydrophobicContact CD2-CG 4.26Å; F346-F390 HydrophobicContact CE2-CD1 4.19Å; F346-F390 HydrophobicContact CG-CE1 4.28Å; N349-F390 WeakPolarHBondContact O-CE1 3.3Å; P352-F390 HydrophobicContact CG-CD1 3.58Å; P352-F390 HydrophobicContact CG-CD2 4.3Å; P352-F390 HydrophobicContact CG-CE1 3.67Å; P352-F390 HydrophobicContact CG-CE2 4.4Å; P352-F390 HydrophobicContact CG-CG 3.93Å; P352-F390 HydrophobicContact CG-CZ 4.1Å; I360-F390 HydrophobicContact CD1-CE2 4.09Å; I360-F390 HydrophobicContact CD1-CZ 3.85Å; I360-F390 HydrophobicContact CG2-CE2 4.47Å; V386-F390 HydrophobicContact CG1-CD2 3.63Å; V386-F390 HydrophobicContact CG1-CE2 3.63Å; V386-F390 WeakPolarHBondContact O-CD2 3.39Å; V386-F390 PolarHBondContact O-N 2.91Å; Y387-F390 PolarHBondContact O-N 2.97Å; F390-N392 VanDerWaalsContact C-N 3.3Å; F390-N392 PolarHBondContact O-N 2.67Å; F390-R393 PolarHBondContact O-N 3.25Å; F390-R394 WeakPolarHBondContact O-CG 3.32Å; F390-R394 PolarHBondContact O-N 3.5Å
391A95.7Very high94.9Very high16 Ų1668.4 Ų68.413%0.13232%0.321CS..Hα-helixtrans-62.6-34.217700000113.1Y387 W389 K395Y387-A391 VanDerWaalsContact O-CB 3.3Å; Y387-A391 WeakPolarHBondContact O-CB 3.28Å; Y387-A391 PolarHBondContact O-N 3.49Å; W389-A391 PolarHBondContact O-N 3.15Å; A391-K395 WeakPolarHBondContact O-CG 3.42Å; A391-K395 PolarHBondContact O-N 3.33Å
392N96.4Very high94.5Very high92 Ų9273 Ų7349%0.49235%0.345SS..Hα-helixtrans-79.1-33.5174.5-74.7-54.3000112.6N388 W389 F390 K395 E396N388-N392 WeakPolarHBondContact O-CB 3.48Å; N388-N392 PolarHBondContact O-N 3.17Å; N388-N392 VanDerWaalsContact O-N 3.14Å; N388-N392 PolarHBondContact O-ND2 3.31Å; W389-N392 CarbonylContact O-C 3.58Å; W389-N392 PolarHBondContact O-N 3.31Å; W389-N392 VanDerWaalsContact O-N 3.11Å; F390-N392 VanDerWaalsContact C-N 3.3Å; F390-N392 PolarHBondContact O-N 2.67Å; N392-K395 PolarHBondContact O-N 3.02Å; N392-E396 WeakPolarHBondContact O-CB 3.49Å; N392-E396 PolarHBondContact O-N 3.27Å
393R95.9Very high94Very high73 Ų7374.6 Ų74.628%0.27535%0.351SS..Hα-helixtrans-63.3-43.8175.7-175.858.1166.9-130.8-7.1111.6E343 F346 W389 F390 K395 E396 I397E343-R393 IonicContact OE1-CZ 3.65Å; E343-R393 IonicContact OE1-NH1 3.89Å; E343-R393 PolarHBondContact OE1-NH1 3.24Å; E343-R393 IonicContact OE1-NH2 2.68Å; E343-R393 PolarHBondContact OE1-NH2 3.05Å; F346-R393 HydrophobicContact CD1-CG 4.11Å; F346-R393 HydrophobicContact CD2-CB 4.08Å; F346-R393 HydrophobicContact CD2-CG 3.71Å; F346-R393 HydrophobicContact CE1-CG 3.91Å; F346-R393 HydrophobicContact CE2-CB 3.7Å; F346-R393 HydrophobicContact CE2-CG 3.47Å; F346-R393 VanDerWaalsContact CE2-CG 3.47Å; F346-R393 HydrophobicContact CG-CG 4.04Å; F346-R393 HydrophobicContact CZ-CB 4.19Å; F346-R393 HydrophobicContact CZ-CG 3.6Å; W389-R393 HydrophobicContact CE3-CB 4.21Å; W389-R393 HydrophobicContact CH2-CB 4.23Å; W389-R393 HydrophobicContact CH2-CG 3.93Å; W389-R393 HydrophobicContact CZ2-CG 4.49Å; W389-R393 HydrophobicContact CZ3-CB 4.01Å; W389-R393 HydrophobicContact CZ3-CG 4.07Å; W389-R393 WeakPolarHBondContact O-CB 3.48Å; W389-R393 PolarHBondContact O-N 2.83Å; F390-R393 PolarHBondContact O-N 3.25Å; R393-K395 VanDerWaalsContact C-N 3.35Å; R393-K395 PolarHBondContact O-N 3.5Å; R393-E396 PolarHBondContact O-N 3.02Å; R393-I397 HydrophobicContact CG-CD1 4.25Å; R393-I397 WeakPolarHBondContact O-CG1 3.24Å; R393-I397 PolarHBondContact O-N 2.87Å
394R96.3Very high93.4Very high54 Ų5478.9 Ų78.920%0.20437%0.368CS..Hα-helixtrans-60.1-41.4173-64.7-169.1-57.9-96.84.3112.5F346 Q350 Y351 F390 K398F346-R394 HydrophobicContact CE2-CG 3.75Å; F346-R394 HydrophobicContact CZ-CG 3.8Å; Q350-R394 HydrophobicContact CB-CG 4.48Å; Q350-R394 PolarHBondContact O-NH1 3.18Å; Y351-R394 VanDerWaalsContact CE1-CZ 3.43Å; F390-R394 WeakPolarHBondContact O-CG 3.32Å; F390-R394 PolarHBondContact O-N 3.5Å; R394-K398 PolarHBondContact O-N 3.17Å; R394-K398 VanDerWaalsContact O-N 3.16Å
395K95.2Very high92.7Very high139 Ų13976.1 Ų76.160%0.60436%0.361SS*.Hα-helixtrans-65.5-40175.6-72.5173.3-178.9-179.70112.7A391 N392 R393 K398 R399A391-K395 WeakPolarHBondContact O-CG 3.42Å; A391-K395 PolarHBondContact O-N 3.33Å; N392-K395 PolarHBondContact O-N 3.02Å; R393-K395 VanDerWaalsContact C-N 3.35Å; R393-K395 PolarHBondContact O-N 3.5Å; K395-K398 PolarHBondContact O-N 2.91Å; K395-R399 WeakPolarHBondContact O-CB 3.36Å; K395-R399 PolarHBondContact O-N 2.89Å
396E94.3Very high91.7Very high50 Ų5077.1 Ų77.123%0.23437%0.372CS..Hα-helixtrans-66.5-40.8177.8176.464.8-179.200111.8N392 R393 R399 R400N392-E396 WeakPolarHBondContact O-CB 3.49Å; N392-E396 PolarHBondContact O-N 3.27Å; R393-E396 PolarHBondContact O-N 3.02Å; E396-R399 WeakPolarHBondContact O-CB 3.35Å; E396-R399 PolarHBondContact O-N 2.91Å; E396-R399 IonicContact OE2-CZ 3.3Å; E396-R399 IonicContact OE2-NH1 3.79Å; E396-R399 PolarHBondContact OE2-NH1 3.37Å; E396-R400 WeakPolarHBondContact O-CG 3.34Å; E396-R400 PolarHBondContact O-N 3.04Å; E396-R400 IonicContact OE1-CZ 2.72Å; E396-R400 VanDerWaalsContact OE1-CZ 3.28Å; E396-R400 IonicContact OE1-NE 3.2Å; E396-R400 PolarHBondContact OE1-NE 2.83Å; E396-R400 IonicContact OE1-NH2 2.93Å; E396-R400 PolarHBondContact OE1-NH2 3.18Å
397I91.1Very high90.6Very high72 Ų7281.1 Ų81.137%0.36939%0.392SS..Hα-helixtrans-62.3-47.8174.6-68.3166.2000110.7F346 R393 R399 R400 A401F346-I397 HydrophobicContact CD1-CD1 4.47Å; F346-I397 HydrophobicContact CE1-CD1 3.37Å; F346-I397 HydrophobicContact CZ-CD1 3.61Å; R393-I397 HydrophobicContact CG-CD1 4.25Å; R393-I397 WeakPolarHBondContact O-CG1 3.24Å; R393-I397 PolarHBondContact O-N 2.87Å; I397-R399 VanDerWaalsContact C-N 3.29Å; I397-R399 PolarHBondContact O-N 3.37Å; I397-R400 PolarHBondContact O-N 3.08Å; I397-R400 VanDerWaalsContact O-N 3.17Å; I397-A401 PolarHBondContact O-N 3.34Å
398K93.7Very high89.5Confident164 Ų16482.8 Ų82.871%0.71341%0.407SS*.Hα-helixtrans-61.1-36.7175.9-175.5168.2-177.9171.50112.4R394 K395 N402R394-K398 PolarHBondContact O-N 3.17Å; R394-K398 VanDerWaalsContact O-N 3.16Å; K395-K398 PolarHBondContact O-N 2.91Å; K398-N402 WeakPolarHBondContact O-CB 3.4Å; K398-N402 PolarHBondContact O-N 2.87Å; K398-N402 VanDerWaalsContact O-N 3.16Å
399R90.3Very high87.9Confident148 Ų14886.7 Ų86.756%0.55842%0.423SS*.Hα-helixtrans-63.2-46.4173.7177.7-168.6-71.5142.3-7.9111.5K395 E396 I397 N402 I403K395-R399 WeakPolarHBondContact O-CB 3.36Å; K395-R399 PolarHBondContact O-N 2.89Å; E396-R399 WeakPolarHBondContact O-CB 3.35Å; E396-R399 PolarHBondContact O-N 2.91Å; E396-R399 IonicContact OE2-CZ 3.3Å; E396-R399 IonicContact OE2-NH1 3.79Å; E396-R399 PolarHBondContact OE2-NH1 3.37Å; I397-R399 VanDerWaalsContact C-N 3.29Å; I397-R399 PolarHBondContact O-N 3.37Å; R399-N402 WeakPolarHBondContact O-CB 3.41Å; R399-N402 PolarHBondContact O-N 3.09Å; R399-I403 HydrophobicContact CG-CD1 3.77Å; R399-I403 HydrophobicContact CG-CG1 4.43Å; R399-I403 WeakPolarHBondContact O-CG1 3.46Å; R399-I403 PolarHBondContact O-N 2.81Å
400R90.4Very high85.9Confident134 Ų13489.5 Ų89.551%0.50645%0.446SS..Hα-helixtrans-62.2-50.1-179.4-75.2179.1-170.3-151.9-1.2111.6E396 I397 N402 I403 E404E396-R400 WeakPolarHBondContact O-CG 3.34Å; E396-R400 PolarHBondContact O-N 3.04Å; E396-R400 IonicContact OE1-CZ 2.72Å; E396-R400 VanDerWaalsContact OE1-CZ 3.28Å; E396-R400 IonicContact OE1-NE 3.2Å; E396-R400 PolarHBondContact OE1-NE 2.83Å; E396-R400 IonicContact OE1-NH2 2.93Å; E396-R400 PolarHBondContact OE1-NH2 3.18Å; I397-R400 PolarHBondContact O-N 3.08Å; I397-R400 VanDerWaalsContact O-N 3.17Å; R400-N402 PolarHBondContact O-N 2.91Å; R400-I403 CarbonylContact O-C 3.49Å; R400-I403 PolarHBondContact O-N 3.22Å; R400-E404 WeakPolarHBondContact O-CB 3.3Å; R400-E404 WeakPolarHBondContact O-CG 3.33Å; R400-E404 PolarHBondContact O-N 3.23Å
401A89.7Confident84Confident54 Ų5495.2 Ų95.245%0.44647%0.473SS..Hα-helixtrans-56.1-37.4175.100000112.6I397 A405I397-A401 PolarHBondContact O-N 3.34Å; A401-A405 WeakPolarHBondContact O-CB 3.34Å; A401-A405 PolarHBondContact O-N 3.02Å
402N85.6Confident81.9Confident100 Ų10098 Ų9854%0.53550%0.503SS..Hα-helixtrans-68.8-40.5174.2-163.2129.8000112.4K398 R399 R400 T406K398-N402 WeakPolarHBondContact O-CB 3.4Å; K398-N402 PolarHBondContact O-N 2.87Å; K398-N402 VanDerWaalsContact O-N 3.16Å; R399-N402 WeakPolarHBondContact O-CB 3.41Å; R399-N402 PolarHBondContact O-N 3.09Å; R400-N402 PolarHBondContact O-N 2.91Å; N402-T406 WeakPolarHBondContact O-CB 3.25Å; N402-T406 PolarHBondContact O-N 3.42Å; N402-T406 PolarHBondContact O-OG1 3.34Å; N402-T406 VanDerWaalsContact O-OG1 3.05Å
403I85.4Confident79.6Confident89 Ų89100 Ų10046%0.45651%0.512SS..Hα-helixtrans-68.5-42.9177.9-70170.2000110R399 R400 T406 I407R399-I403 HydrophobicContact CG-CD1 3.77Å; R399-I403 HydrophobicContact CG-CG1 4.43Å; R399-I403 WeakPolarHBondContact O-CG1 3.46Å; R399-I403 PolarHBondContact O-N 2.81Å; R400-I403 CarbonylContact O-C 3.49Å; R400-I403 PolarHBondContact O-N 3.22Å; I403-T406 PolarHBondContact O-N 3.43Å; I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.4Å; I403-I407 WeakPolarHBondContact O-CB 3.49Å; I403-I407 WeakPolarHBondContact O-CG1 3.42Å; I403-I407 PolarHBondContact O-N 2.93Å
404E85.3Confident77.2Confident111 Ų111103 Ų10352%0.51953%0.534SS..Hα-helixtrans-62.1-41.8175.6-71.8154.2-163.500111.1R400 I407 L408R400-E404 WeakPolarHBondContact O-CB 3.3Å; R400-E404 WeakPolarHBondContact O-CG 3.33Å; R400-E404 PolarHBondContact O-N 3.23Å; E404-I407 PolarHBondContact O-N 3.2Å; E404-L408 PolarHBondContact O-N 2.72Å
405A80Confident74.5Confident53 Ų53106 Ų10644%0.43856%0.557SS.*Hα-helixtrans-62.5-49.8172.500000112.4A401 I407 L408 E409A401-A405 WeakPolarHBondContact O-CB 3.34Å; A401-A405 PolarHBondContact O-N 3.02Å; A405-I407 PolarHBondContact O-N 2.92Å; A405-L408 PolarHBondContact O-N 3.42Å; A405-L408 VanDerWaalsContact O-N 3.16Å; A405-E409 VanDerWaalsContact O-CB 3.28Å; A405-E409 WeakPolarHBondContact O-CB 3.43Å; A405-E409 PolarHBondContact O-N 3.15Å
406T75.2Confident72Confident68 Ų68107.2 Ų107.242%0.41757%0.566SS.*Hα-helixtrans-64.8-26.9176.4-58.10000112.4N402 I403 S410N402-T406 WeakPolarHBondContact O-CB 3.25Å; N402-T406 PolarHBondContact O-N 3.42Å; N402-T406 PolarHBondContact O-OG1 3.34Å; N402-T406 VanDerWaalsContact O-OG1 3.05Å; I403-T406 PolarHBondContact O-N 3.43Å; T406-S410 VanDerWaalsContact O-CB 3.28Å; T406-S410 WeakPolarHBondContact O-CB 3.2Å; T406-S410 PolarHBondContact O-N 3.26Å; T406-S410 PolarHBondContact O-OG 3.48Å
407I74.9Confident69.3Low84 Ų84109.4 Ų109.443%0.43159%0.586SS.*Hα-helixtrans-71.9-46.3171.6-74.1169.4000110.2I403 E404 A405 E409 S410 H411I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.4Å; I403-I407 WeakPolarHBondContact O-CB 3.49Å; I403-I407 WeakPolarHBondContact O-CG1 3.42Å; I403-I407 PolarHBondContact O-N 2.93Å; E404-I407 PolarHBondContact O-N 3.2Å; A405-I407 PolarHBondContact O-N 2.92Å; I407-E409 PolarHBondContact O-N 3.43Å; I407-S410 WeakPolarHBondContact CA-OG 3.49Å; I407-S410 PolarHBondContact O-N 3.48Å; I407-S410 PolarHBondContact O-OG 2.96Å; I407-S410 VanDerWaalsContact O-OG 3.11Å; I407-H411 WeakPolarHBondContact O-CB 3.24Å; I407-H411 PolarHBondContact O-N 3.48Å; I407-H411 PolarHBondContact O-ND1 3.32Å
408L72.6Confident67Low135 Ų135112.2 Ų112.271%0.70761%0.609SS**Hα-helixtrans-59.1-46.3173.5-108.779.4000111.9E404 A405 S410 H411E404-L408 PolarHBondContact O-N 2.72Å; A405-L408 PolarHBondContact O-N 3.42Å; A405-L408 VanDerWaalsContact O-N 3.16Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.46Å; L408-H411 CarbonylContact O-C 3.55Å; L408-H411 VanDerWaalsContact O-C 3.25Å; L408-H411 PolarHBondContact O-N 3.03Å; L408-H411 VanDerWaalsContact O-O 3.12Å
409E62.9Low64.2Low158 Ų158106.8 Ų106.874%0.73860%0.6SS**Hα-helixtrans-64.9-33-179.4-172.8177-156.700112.6A405 I407A405-E409 VanDerWaalsContact O-CB 3.28Å; A405-E409 WeakPolarHBondContact O-CB 3.43Å; A405-E409 PolarHBondContact O-N 3.15Å; I407-E409 PolarHBondContact O-N 3.43Å
410S55.5Low61.6Low84 Ų84103.9 Ų103.959%0.58762%0.616SS**Hα-helixtrans-84.5-20.5173.557.80000113.8T406 I407 L408 G412T406-S410 VanDerWaalsContact O-CB 3.28Å; T406-S410 WeakPolarHBondContact O-CB 3.2Å; T406-S410 PolarHBondContact O-N 3.26Å; T406-S410 PolarHBondContact O-OG 3.48Å; I407-S410 WeakPolarHBondContact CA-OG 3.49Å; I407-S410 PolarHBondContact O-N 3.48Å; I407-S410 PolarHBondContact O-OG 2.96Å; I407-S410 VanDerWaalsContact O-OG 3.11Å; L408-S410 VanDerWaalsContact C-N 3.32Å; L408-S410 PolarHBondContact O-N 3.46Å; S410-G412 VanDerWaalsContact C-N 3.34Å; S410-G412 PolarHBondContact O-N 3.33Å
411H58Low59Low121 Ų121105.6 Ų105.656%0.5663%0.629SS**SBendtrans-93.767.8169.5-68.265.9000109.6I407 L408 I413I407-H411 WeakPolarHBondContact O-CB 3.24Å; I407-H411 PolarHBondContact O-N 3.48Å; I407-H411 PolarHBondContact O-ND1 3.32Å; L408-H411 CarbonylContact O-C 3.55Å; L408-H411 VanDerWaalsContact O-C 3.25Å; L408-H411 PolarHBondContact O-N 3.03Å; L408-H411 VanDerWaalsContact O-O 3.12Å; H411-I413 PolarHBondContact O-N 3.22Å
412G51.7Low56.6Low74 Ų74108.4 Ų108.476%0.76365%0.645SS**  trans-63.274169.700000111.8S410 D414S410-G412 VanDerWaalsContact C-N 3.34Å; S410-G412 PolarHBondContact O-N 3.33Å; G412-D414 PolarHBondContact O-N 2.6Å; G412-D414 VanDerWaalsContact O-N 3.15Å
413I48Very low54.1Low134 Ų134111.4 Ų111.469%0.68766%0.662SS**  trans-79.791.6170.8-60.1173.7000106.3H411 V415H411-I413 PolarHBondContact O-N 3.22Å; I413-V415 HydrophobicContact CG2-CG2 4.35Å; I413-V415 PolarHBondContact O-N 3.19Å; I413-V415 VanDerWaalsContact O-N 3.08Å
414D45.6Very low52Low137 Ų137111.9 Ų111.973%0.73367%0.673SS**  trans-57.7110.5161.1-149.3-53.5000107.2G412 Q416G412-D414 PolarHBondContact O-N 2.6Å; G412-D414 VanDerWaalsContact O-N 3.15Å; D414-Q416 PolarHBondContact O-N 2.78Å
415V39.8Very low50Low116 Ų116114.1 Ų114.170%0.70369%0.688SS**  trans-76.781.1178.31780000107.2I413 S417I413-V415 HydrophobicContact CG2-CG2 4.35Å; I413-V415 PolarHBondContact O-N 3.19Å; I413-V415 VanDerWaalsContact O-N 3.08Å; V415-S417 VanDerWaalsContact C-N 3.33Å; V415-S417 PolarHBondContact O-N 2.9Å
416Q41.9Very low48.4Very low166 Ų166118.1 Ų118.178%0.77670%0.702SS**  trans-60.496.6169.3-157.4103.384.500107.9D414D414-Q416 PolarHBondContact O-N 2.78Å
417S38.4Very low47.1Very low96 Ų96122.5 Ų122.567%0.67172%0.722SS**PPolyproline II helixtrans-48.4128.9175.4-68.80000109.7V415 G419V415-S417 VanDerWaalsContact C-N 3.33Å; V415-S417 PolarHBondContact O-N 2.9Å; S417-G419 PolarHBondContact O-N 2.86Å
418P43.2Very low45.5Very low130 Ų130126 Ų12684%0.84474%0.741SS**PPolyproline II helixtrans-49.4126.5-178.7-3136.6000111.6G420P418-G420 PolarHBondContact O-N 3.32Å
419G33.3Very low43.7Very low50 Ų50122.4 Ų122.452%0.51574%0.737SS.*PPolyproline II helixtrans-60.8128-158.600000114.2S417 H421S417-G419 PolarHBondContact O-N 2.86Å; G419-H421 PolarHBondContact O-CD2 3.06Å; G419-H421 VanDerWaalsContact O-CD2 3.29Å; G419-H421 PolarHBondContact O-N 3.44Å
420G37.2Very low42.2Very low87 Ų87121.8 Ų121.890%0.89774%0.739SS**  trans-69.770.5163.900000111P418 S422P418-G420 PolarHBondContact O-N 3.32Å; G420-S422 PolarHBondContact O-N 2.98Å
421H34.3Very low41.1Very low171 Ų171124 Ų12479%0.79274%0.744SS**  trans-72.1107.1174.8-67.6-74.8000109.3G419 N423G419-H421 PolarHBondContact O-CD2 3.06Å; G419-H421 VanDerWaalsContact O-CD2 3.29Å; G419-H421 PolarHBondContact O-N 3.44Å; H421-N423 PolarHBondContact O-N 2.81Å
422S39.2Very low39.7Very low112 Ų112127.9 Ų127.978%0.78376%0.759SS**  trans-62126172.2-175.20000110.4G420G420-S422 PolarHBondContact O-N 2.98Å
423N33.6Very low39Very low164 Ų164127.6 Ų127.688%0.87775%0.75SS**  trans-138.1119.8152.4-96.2-21.1000106.9H421H421-N423 PolarHBondContact O-N 2.81Å
424S40.5Very low38.3Very low99 Ų99129.1 Ų129.169%0.69275%0.754SS**  trans-81.1133167.1-163.40000108.1
425D43.5Very low37.7Very low157 Ų157131.6 Ų131.684%0.8476%0.762SS**  trans-156.1125.1155.1-145.3-124.8000108.3
426D47.6Very low37.1Very low138 Ų138130 Ų13074%0.73876%0.761SS**  trans-89.2121.8-170.4-58.3-106000111.4
427I46.5Very low36.5Very low160 Ų160128.3 Ų128.382%0.82177%0.766SS**  trans-131.8118.6159.6-66.3-67000111.6
428D41.3Very low36Very low157 Ų157131.3 Ų131.384%0.8477%0.774SS**  trans-46.8172.5168-153.1-72.1000115.4
429G35Very low35.4Very low60 Ų60132.2 Ų132.262%0.61977%0.771SS**  trans136.766.3150.800000120
430N31.2Very low36.3Very low145 Ų145134.8 Ų134.878%0.77578%0.779SS**  52.6105.2127.9-16899.6000121.3
431D33.2Very low35.9Very low129 Ų129139.1 Ų139.169%0.6977%0.769SS**  48.4114.4121.8-145-40.2000121
432F29.6Very low35.8Very low203 Ų203139.7 Ų139.789%0.8977%0.77SS**  trans-151.9152.3135.1-148.8-96.3000111.7
433A35.6Very low35.4Very low69 Ų69138.7 Ų138.757%0.5776%0.756SS**  trans-122.4-178.9-168.800000114.6
434E33.8Very low35.5Very low166 Ų166138.9 Ų138.978%0.77675%0.749SS**  trans72.2104.3147.8-166.3170.4-121.600120.4
435Q33.2Very low34.9Very low189 Ų189145.5 Ų145.588%0.88376%0.758SS**  trans178.1109.5136.3-97.5148.396.600107.6
436A26.1Very low35.2Very low83 Ų83143.4 Ų143.469%0.68675%0.753SS**  cis81.984.925.200000115.1
437C29.5Very low34.4Very low130 Ų130144.3 Ų144.388%0.87876%0.757SS**  trans-145.8146.9163.9-72.10000108.8
438D28.9Very low33.6Very low158 Ų158142 Ų14285%0.84576%0.756SS**  trans-100.4159.7-158.9-81.8-73.4000119.3
439L29.8Very low33.2Very low150 Ų150145.3 Ų145.379%0.78576%0.756SS**  trans-19.3173.9146-101.180.6000119.4
440P52.5Low33.9Very low104 Ų104147.6 Ų147.668%0.67576%0.76SS**  cis-148.7176.432.843.1-22.6000120.8
441Y29.6Very low33.8Very low178 Ų178149.8 Ų149.870%0.69876%0.763SS**  trans65.9130151.9-100.6-65.9000118.3
442F32.7Very low33.6Very low182 Ų182146.6 Ų146.680%0.79876%0.76SS**  cis-141.4177.822.5-80.5-99.7000111.4
443D30.2Very low33.7Very low92 Ų92143.7 Ų143.749%0.49275%0.753SS.*  cis177.5-177.2-33.3-171.32.2000107.8
444K34.4Very low33.5Very low168 Ų168150.7 Ų150.773%0.7377%0.767SS**  trans59.278.5158.9-51.7-53.2-177.1-127.30120
445R29.4Very low33.4Very low238 Ų238153.2 Ų153.290%0.89877%0.769SS**  trans-85.1-169.8139.2-75.2-174.9-175.6166.91.9109.2
446P49.2Very low33.4Very low112 Ų112151.7 Ų151.773%0.72777%0.766SS**  cis-114.2-161.6-8.221.84.7000111
447L31Very low33.5Very low157 Ų157156.1 Ų156.182%0.82277%0.773SS**  cis-122.9-170.913.5-89.689.7000110.3
448S28.9Very low34.4Very low113 Ų113154.2 Ų154.279%0.7976%0.759SS**  cis-145.4178.420.4-60.10000113.3
449R33.2Very low34.4Very low225 Ų225152.9 Ų152.985%0.84976%0.757SS**  trans-157.3153.4176.5-135-178-168.4-168.84.8110.6
450P49.9Very low34.6Very low109 Ų109151.3 Ų151.371%0.70876%0.758SS**  -138.5141.9104.821.4-0.4000113.7
451F29.9Very low34.2Very low191 Ų191151.9 Ų151.984%0.83876%0.762SS**  56.6135.9107.6-69-84.1000116.8
452G28.3Very low34.5Very low61 Ų61149.7 Ų149.763%0.62977%0.767SS**  cis-160.41620.200000111.2
453L32.5Very low34.4Very low142 Ų142149.7 Ų149.774%0.74377%0.77SS**  43.2126.1101.4-69.2168.8000114.6
454Y30.9Very low34.6Very low216 Ų216152.3 Ų152.385%0.84778%0.784SS**  -150.9-162.652-100.9-74.6000115.7
455R31.2Very low34.5Very low220 Ų220151.5 Ų151.583%0.8379%0.787SS**  trans-140157.4-168-178.5-164.9-178.1168.81.5110.2
456L32.8Very low34.7Very low156 Ų156145 Ų14582%0.81778%0.778SS**  trans113.9154.8158.4-60.2174.9000118.6
457E29.4Very low34.1Very low176 Ų176144.4 Ų144.482%0.82278%0.782SS**  trans-66.9-171.5176.2-113.2-159.312100114.5
458P48.8Very low34.5Very low91 Ų91141.1 Ų141.159%0.59178%0.778SS**  cis-136.9-164.8-2.2234000115.5
459T28.7Very low34.8Very low130 Ų130144.4 Ų144.480%0.79878%0.78SS**  trans98.9129.715070.40000120.7
460S33.7Very low35.3Very low116 Ų116141 Ų14181%0.81178%0.779SS**  trans-95.5161.9160.3-45.80000110.3
461P44.3Very low35Very low116 Ų116144.5 Ų144.575%0.75379%0.786SS**  -142.9152.7113.237.1-24.1000116
462T35Very low36.2Very low132 Ų132143.5 Ų143.581%0.8178%0.784SS**  trans-0138.3154.256.40000120.8
463Q30.9Very low37.5Very low183 Ų183146.6 Ų146.686%0.85578%0.782SS**  -177.8150106.4-171.5167.1-42.600112.3
464D34.1Very low39.2Very low147 Ų147144.7 Ų144.779%0.78677%0.772SS**  trans-63.6145.5170.3-64-109.8000114.2
465D31.5Very low41.1Very low151 Ų151138.9 Ų138.981%0.80776%0.761SS**  -175.1-155.694.7-148.6-54.3000109.8
466S34Very low42.9Very low101 Ų101134.8 Ų134.871%0.70675%0.754SS**  trans-111.1157.9-149.7-53.70000117
467A36.3Very low44.7Very low99 Ų99130.4 Ų130.482%0.81874%0.737SS**  trans84133149.200000121.8
468A40.2Very low47.3Very low88 Ų88125.8 Ų125.873%0.72772%0.717SS**  trans65.596.9145.300000121.5
469H35.2Very low48.6Very low182 Ų182124.2 Ų124.284%0.84371%0.712SS**  trans-147120.2132.2-93.8-84.2000106.1
470N43.4Very low51Low154 Ų154122.7 Ų122.782%0.82470%0.702SS**  cis71.367.642.6-154.516.9000112.1
471E44.3Very low53.2Low183 Ų183122.3 Ų122.386%0.85569%0.688SS**  trans-72.2158173.1-75-125.191.900112.4Q473E471-Q473 PolarHBondContact O-N 2.78Å
472H53.9Low54.6Low170 Ų170122.1 Ų122.179%0.78768%0.678SS**  trans-81.887.6-167.3-157.477000112D474H472-D474 PolarHBondContact O-N 3.49Å
473Q55.9Low56.5Low125 Ų125118 Ų11858%0.58466%0.657SS**  trans-63107.6174-162.597.8500110E471 L478E471-Q473 PolarHBondContact O-N 2.78Å; Q473-L478 HydrophobicContact CG-CB 4.37Å
474D68.8Low58.4Low102 Ų102111.8 Ų111.855%0.54564%0.637SS.*  trans-53.3126.6-179.9-92.2-42000111.2H472 I476 S477 L478H472-D474 PolarHBondContact O-N 3.49Å; D474-I476 PolarHBondContact O-N 2.97Å; D474-I476 VanDerWaalsContact O-N 3.12Å; D474-S477 WeakPolarHBondContact O-CA 3.24Å; D474-S477 WeakPolarHBondContact O-CB 3.38Å; D474-S477 PolarHBondContact O-N 3.23Å; D474-L478 PolarHBondContact O-N 3.13Å
475P70.5Confident60.8Low94 Ų94108.4 Ų108.461%0.6162%0.622SS**Hα-helixtrans-64.4-24.7-174.825.1-34.2000112.5A479P475-A479 VanDerWaalsContact O-CB 3.26Å; P475-A479 WeakPolarHBondContact O-CB 3.24Å; P475-A479 PolarHBondContact O-N 2.95Å; P475-A479 VanDerWaalsContact O-N 3.07Å
476I69.1Low62.8Low134 Ų134105.3 Ų105.369%0.68761%0.606SS**Hα-helixtrans-70.7-42.1173-60.3172.9000110.5D474 A479 V480D474-I476 PolarHBondContact O-N 2.97Å; D474-I476 VanDerWaalsContact O-N 3.12Å; I476-A479 PolarHBondContact O-N 3.45Å; I476-V480 WeakPolarHBondContact O-CG2 3.46Å; I476-V480 PolarHBondContact O-N 2.88Å
477S71.2Confident64.7Low65 Ų65107.1 Ų107.146%0.45560%0.603SS.*Hα-helixtrans-64.7-48178.6-166.10000110.8D474 A479 V480 E481D474-S477 WeakPolarHBondContact O-CA 3.24Å; D474-S477 WeakPolarHBondContact O-CB 3.38Å; D474-S477 PolarHBondContact O-N 3.23Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.43Å; S477-V480 PolarHBondContact O-N 2.72Å; S477-V480 VanDerWaalsContact O-N 3.16Å; S477-E481 WeakPolarHBondContact O-CB 3.38Å; S477-E481 PolarHBondContact O-N 3.36Å
478L83.9Confident66.3Low78 Ų78106.2 Ų106.241%0.40859%0.587SS.*Hα-helixtrans-59.8-40.1175.4-176.763000112.2Q473 D474 E481 M482Q473-L478 HydrophobicContact CG-CB 4.37Å; D474-L478 PolarHBondContact O-N 3.13Å; L478-E481 PolarHBondContact O-N 2.83Å; L478-M482 HydrophobicContact CD1-CG 4.4Å; L478-M482 WeakPolarHBondContact O-CB 3.43Å; L478-M482 WeakPolarHBondContact O-CG 3.4Å; L478-M482 PolarHBondContact O-N 3.08Å
479A75.9Confident67.8Low58 Ų58106.5 Ų106.548%0.47958%0.575SS.*Hα-helixtrans-65.8-39.117600000112.8P475 I476 S477 A483P475-A479 VanDerWaalsContact O-CB 3.26Å; P475-A479 WeakPolarHBondContact O-CB 3.24Å; P475-A479 PolarHBondContact O-N 2.95Å; P475-A479 VanDerWaalsContact O-N 3.07Å; I476-A479 PolarHBondContact O-N 3.45Å; S477-A479 VanDerWaalsContact C-N 3.32Å; S477-A479 PolarHBondContact O-N 3.43Å; A479-A483 VanDerWaalsContact O-CB 3.25Å; A479-A483 WeakPolarHBondContact O-CB 3.43Å; A479-A483 PolarHBondContact O-N 3.15Å
480V78.6Confident69.6Low99 Ų99102.4 Ų102.460%0.656%0.559SS**Hα-helixtrans-67.3-41.9175.11690000111.3I476 S477 A483 A484I476-V480 WeakPolarHBondContact O-CG2 3.46Å; I476-V480 PolarHBondContact O-N 2.88Å; S477-V480 PolarHBondContact O-N 2.72Å; S477-V480 VanDerWaalsContact O-N 3.16Å; V480-A483 PolarHBondContact O-N 2.89Å; V480-A484 WeakPolarHBondContact O-CB 3.34Å; V480-A484 PolarHBondContact O-N 2.91Å
481E79.1Confident70.7Confident107 Ų10797.8 Ų97.850%0.554%0.542SS..Hα-helixtrans-63.1-49.6176.4-171.8176.6-17700111.3S477 L478 A483 A484 V485S477-E481 WeakPolarHBondContact O-CB 3.38Å; S477-E481 PolarHBondContact O-N 3.36Å; L478-E481 PolarHBondContact O-N 2.83Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.17Å; E481-A484 PolarHBondContact O-N 3.44Å; E481-A484 VanDerWaalsContact O-N 3.17Å; E481-V485 WeakPolarHBondContact O-CG2 3.48Å; E481-V485 PolarHBondContact O-N 2.86Å
482M74.6Confident71.5Confident112 Ų11294.9 Ų94.955%0.55253%0.532SS*.Hα-helixtrans-62-34.6174.6-71.4-169.275.900112.7L478 N486L478-M482 HydrophobicContact CD1-CG 4.4Å; L478-M482 WeakPolarHBondContact O-CB 3.43Å; L478-M482 WeakPolarHBondContact O-CG 3.4Å; L478-M482 PolarHBondContact O-N 3.08Å; M482-N486 WeakPolarHBondContact O-CB 3.39Å; M482-N486 PolarHBondContact O-N 3.29Å; M482-N486 PolarHBondContact O-ND2 3.21Å; M482-N486 VanDerWaalsContact O-ND2 3.08Å
483A73.9Confident71.8Confident45 Ų4590.5 Ų90.537%0.37252%0.521SS..Hα-helixtrans-66.8-42.4173.600000111.9A479 V480 E481 N486 H487A479-A483 VanDerWaalsContact O-CB 3.25Å; A479-A483 WeakPolarHBondContact O-CB 3.43Å; A479-A483 PolarHBondContact O-N 3.15Å; V480-A483 PolarHBondContact O-N 2.89Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.17Å; A483-N486 PolarHBondContact O-N 3.45Å; A483-H487 WeakPolarHBondContact O-CB 3.33Å; A483-H487 PolarHBondContact O-CD2 2.88Å; A483-H487 PolarHBondContact O-N 2.9Å
484A72.9Confident71.8Confident53 Ų5394.3 Ų94.344%0.43853%0.53SS..Hα-helixtrans-64.3-41.4176.100000112.2V480 E481 H487 T488V480-A484 WeakPolarHBondContact O-CB 3.34Å; V480-A484 PolarHBondContact O-N 2.91Å; E481-A484 PolarHBondContact O-N 3.44Å; E481-A484 VanDerWaalsContact O-N 3.17Å; A484-H487 PolarHBondContact O-N 3.37Å; A484-T488 WeakPolarHBondContact O-CB 3.34Å; A484-T488 PolarHBondContact O-N 3.31Å; A484-T488 PolarHBondContact O-OG1 3.08Å
485V82.8Confident71Confident76 Ų7695.1 Ų95.146%0.46154%0.539SS..Hα-helixtrans-61.7-47.9173170.70000110.7E481 H487 T488 I489E481-V485 WeakPolarHBondContact O-CG2 3.48Å; E481-V485 PolarHBondContact O-N 2.86Å; V485-H487 PolarHBondContact O-N 3.35Å; V485-T488 WeakPolarHBondContact O-CB 3.25Å; V485-T488 PolarHBondContact O-N 2.93Å; V485-T488 VanDerWaalsContact O-N 3.13Å; V485-I489 HydrophobicContact CG1-CD1 3.8Å; V485-I489 WeakPolarHBondContact O-CG1 3.3Å; V485-I489 PolarHBondContact O-N 2.93Å
486N73.4Confident70Confident87 Ų8794.1 Ų94.147%0.46555%0.545SS..Hα-helixtrans-62.6-41177.3-79.7-39.3000112.8M482 A483 T488 I489 L490M482-N486 WeakPolarHBondContact O-CB 3.39Å; M482-N486 PolarHBondContact O-N 3.29Å; M482-N486 PolarHBondContact O-ND2 3.21Å; M482-N486 VanDerWaalsContact O-ND2 3.08Å; A483-N486 PolarHBondContact O-N 3.45Å; N486-T488 VanDerWaalsContact C-N 3.3Å; N486-T488 PolarHBondContact O-N 3.35Å; N486-I489 PolarHBondContact O-N 3.19Å; N486-L490 WeakPolarHBondContact O-CB 3.39Å; N486-L490 VanDerWaalsContact O-CG 3.3Å; N486-L490 WeakPolarHBondContact O-CG 3.37Å; N486-L490 PolarHBondContact O-N 2.84Å
487H75.4Confident68.6Low139 Ų13991 Ų9164%0.64455%0.546SS*.Hα-helixtrans-62.3-37.3173-93.7-84.2000112.4A483 A484 V485 L490 A491A483-H487 WeakPolarHBondContact O-CB 3.33Å; A483-H487 PolarHBondContact O-CD2 2.88Å; A483-H487 PolarHBondContact O-N 2.9Å; A484-H487 PolarHBondContact O-N 3.37Å; V485-H487 PolarHBondContact O-N 3.35Å; H487-L490 PolarHBondContact O-N 3.38Å; H487-A491 PolarHBondContact O-N 2.98Å
488T69.1Low67.3Low80 Ų8093.1 Ų93.149%0.49156%0.556SS.*Hα-helixtrans-67.3-43.3176.3-56.80000111.3A484 V485 N486 L490 A491 L492A484-T488 WeakPolarHBondContact O-CB 3.34Å; A484-T488 PolarHBondContact O-N 3.31Å; A484-T488 PolarHBondContact O-OG1 3.08Å; V485-T488 WeakPolarHBondContact O-CB 3.25Å; V485-T488 PolarHBondContact O-N 2.93Å; V485-T488 VanDerWaalsContact O-N 3.13Å; N486-T488 VanDerWaalsContact C-N 3.3Å; N486-T488 PolarHBondContact O-N 3.35Å; T488-L490 PolarHBondContact O-N 2.88Å; T488-A491 PolarHBondContact O-N 3.44Å; T488-L492 HydrophobicContact CG2-CD1 4.03Å; T488-L492 WeakPolarHBondContact O-CG 3.26Å; T488-L492 PolarHBondContact O-N 2.91Å
489I71.3Confident65.2Low93 Ų9395.4 Ų95.448%0.47758%0.576SS.*Hα-helixtrans-63.8-39.8174.5-66.8166.3000111.3V485 N486 A491 L492 S493V485-I489 HydrophobicContact CG1-CD1 3.8Å; V485-I489 WeakPolarHBondContact O-CG1 3.3Å; V485-I489 PolarHBondContact O-N 2.93Å; N486-I489 PolarHBondContact O-N 3.19Å; I489-A491 VanDerWaalsContact C-N 3.32Å; I489-A491 PolarHBondContact O-N 3.36Å; I489-L492 PolarHBondContact O-N 3.37Å; I489-S493 WeakPolarHBondContact O-CB 3.34Å; I489-S493 PolarHBondContact O-N 3.07Å; I489-S493 PolarHBondContact O-OG 3.36Å
490L73Confident63.4Low96 Ų9699.1 Ų99.150%0.50359%0.588SS.*Hα-helixtrans-69.9-24.4175.4-73.4171.3000113.8N486 H487 T488 S493 R494N486-L490 WeakPolarHBondContact O-CB 3.39Å; N486-L490 VanDerWaalsContact O-CG 3.3Å; N486-L490 WeakPolarHBondContact O-CG 3.37Å; N486-L490 PolarHBondContact O-N 2.84Å; H487-L490 PolarHBondContact O-N 3.38Å; T488-L490 PolarHBondContact O-N 2.88Å; L490-S493 WeakPolarHBondContact CA-OG 3.48Å; L490-S493 PolarHBondContact O-OG 3.16Å; L490-R494 WeakPolarHBondContact O-CD 3.41Å; L490-R494 WeakPolarHBondContact O-CG 3.49Å
491A66.3Low61.2Low58 Ų58102.1 Ų102.148%0.47960%0.6SS.*Hα-helixtrans-74.9-49.8169.400000111.3H487 T488 I489 S493 R494H487-A491 PolarHBondContact O-N 2.98Å; T488-A491 PolarHBondContact O-N 3.44Å; I489-A491 VanDerWaalsContact C-N 3.32Å; I489-A491 PolarHBondContact O-N 3.36Å; A491-S493 VanDerWaalsContact C-N 3.34Å; A491-S493 PolarHBondContact O-N 3.03Å; A491-R494 PolarHBondContact O-N 2.93Å; A491-R494 VanDerWaalsContact O-N 3.15Å
492L62.3Low59.3Low121 Ų121105 Ų10563%0.63462%0.617SS**Hα-helixtrans-66.2-31.7-178.3-69169.6000113.4T488 I489 R494 T495T488-L492 HydrophobicContact CG2-CD1 4.03Å; T488-L492 WeakPolarHBondContact O-CG 3.26Å; T488-L492 PolarHBondContact O-N 2.91Å; I489-L492 PolarHBondContact O-N 3.37Å; L492-R494 VanDerWaalsContact C-N 3.32Å; L492-T495 PolarHBondContact O-OG1 3.06Å
493S60Low57.4Low79 Ų79108.7 Ų108.755%0.55263%0.63SS**THydrogen-bonded Turntrans-74.6-17.9174.950.90000113.8I489 L490 A491I489-S493 WeakPolarHBondContact O-CB 3.34Å; I489-S493 PolarHBondContact O-N 3.07Å; I489-S493 PolarHBondContact O-OG 3.36Å; L490-S493 WeakPolarHBondContact CA-OG 3.48Å; L490-S493 PolarHBondContact O-OG 3.16Å; A491-S493 VanDerWaalsContact C-N 3.34Å; A491-S493 PolarHBondContact O-N 3.03Å
494R56.6Low55.5Low204 Ų204112 Ų11277%0.7765%0.646SS**THydrogen-bonded Turntrans-89.5-14.1178.2-74.7178.7-179.3-93.10.1114L490 A491 L492 G496L490-R494 WeakPolarHBondContact O-CD 3.41Å; L490-R494 WeakPolarHBondContact O-CG 3.49Å; A491-R494 PolarHBondContact O-N 2.93Å; A491-R494 VanDerWaalsContact O-N 3.15Å; L492-R494 VanDerWaalsContact C-N 3.32Å; R494-G496 PolarHBondContact O-N 3.06Å
495T50.4Low53.5Low120 Ų120118.7 Ų118.774%0.73667%0.668SS**THydrogen-bonded Turntrans-77.910.4178.243.60000114.8L492L492-T495 PolarHBondContact O-OG1 3.06Å
496G51Low51.2Low72 Ų72120.2 Ų120.274%0.74268%0.682SS**THydrogen-bonded Turntrans-1033.5-178.300000116.7R494R494-G496 PolarHBondContact O-N 3.06Å
497G38.3Very low49.7Very low69 Ų69124 Ų12471%0.71170%0.701SS**  trans-101.6108.7-175.700000114
498V44Very low48Very low110 Ų110125.9 Ų125.967%0.66771%0.711SS**  trans-97.2123.1170.2-174.70000109.6N500V498-N500 PolarHBondContact O-N 3.12Å; V498-N500 VanDerWaalsContact O-N 3.15Å
499P40.1Very low46.5Very low126 Ų126130 Ų13082%0.81873%0.73SS**  trans-79.492.1170.731.6-32000110.2
500N38.7Very low44.7Very low136 Ų136138.2 Ų138.273%0.72777%0.766SS**  trans-10296.2172.8-84.6-16.5000110.3V498V498-N500 PolarHBondContact O-N 3.12Å; V498-N500 VanDerWaalsContact O-N 3.15Å
501D31.9Very low43.3Very low162 Ų162140.4 Ų140.487%0.86678%0.779SS**  trans-143.773.3170.2-90.6-51.2000110.8
502I39.1Very low42.1Very low167 Ų167144.7 Ų144.786%0.85680%0.795SS**  trans-141.9103164.8-56.7-178.3000109.7
503K34.3Very low41Very low190 Ų190146 Ų14683%0.82680%0.804SS**  trans147.4145.1156.8-88.6-169.6165.3-172.60108.8
504T35.1Very low39.9Very low114 Ų114149.9 Ų149.970%0.69982%0.819SS**  cis-160.6151.9-0.28.10000107.6
505E30.9Very low38.8Very low194 Ų194146.6 Ų146.691%0.90782%0.822SS**  -156.9173.2126.6-125.3172.3142.400112.2
506S35Very low38Very low107 Ų107148.3 Ų148.375%0.74883%0.827SS**  trans-125176.5-167.142.20000112.7
507L41.6Very low37.1Very low167 Ų167153.8 Ų153.887%0.87483%0.833SS**  trans-68.9134.9177.1-68.4142.5000112.8
508E39.8Very low37Very low179 Ų179160.3 Ų160.384%0.83684%0.843SS**  trans-167.2148.6130.438.5-152.5101.200112.2
509D37.8Very low36.5Very low167 Ų167164.5 Ų164.589%0.89386%0.858SS**  trans51.8131.4-174.4-64-46.2000117.8
510E33.3Very low36.1Very low265 Ų265168 Ų168100%1.23886%0.861SS**  cis-133.9023.3178178.391.500112.5

Retrieved 510 of 510 residues in 186.1 ms (Link to these results)

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