A0A3Q0KRU6_SCHMA Loading...

Drug efflux protein-related AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KRU6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 539 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
1M42.7Very low37.7Very low241 Ų241136 Ų136100%1.18774%0.738SS**  0103.70-78.6168.4159.100107.7S3M1-S3 PolarHBondContact O-N 3.36Å
2K35Very low37.6Very low209 Ų209132 Ų13291%0.90972%0.722SS**  trans-70.9118.8170.4-80.9-179.4174.5179.50106.9D4K2-D4 PolarHBondContact O-N 3.23Å
3S40.5Very low37.5Very low108 Ų108132.8 Ų132.876%0.75571%0.714SS**  trans-64.9111.4171.349.80000108.4M1 P5M1-S3 PolarHBondContact O-N 3.36Å; S3-P5 WeakPolarHBondContact O-CD 3.32Å
4D37.3Very low37.9Very low141 Ų141130.2 Ų130.275%0.75471%0.705SS**  trans-62.9118.8170.7-96.2-33.6000109.2K2 N6K2-D4 PolarHBondContact O-N 3.23Å; D4-N6 PolarHBondContact O-N 3.24Å
5P45Very low38.2Very low112 Ų112128.3 Ų128.373%0.72770%0.699SS**THydrogen-bonded Turntrans-82.510.3-175.429.3-26.1000113.7S3S3-P5 WeakPolarHBondContact O-CD 3.32Å
6N35.3Very low39Very low134 Ų134121.6 Ų121.672%0.71766%0.662SS**THydrogen-bonded Turntrans-110.626.2-175.2-75-14.3000114.7D4 I8D4-N6 PolarHBondContact O-N 3.24Å; N6-I8 PolarHBondContact O-N 2.89Å
7I37.4Very low40.3Very low133 Ų133117.5 Ų117.568%0.68265%0.649SS**  trans-79.371.2155.6-49.6180000107.2V9I7-V9 HydrophobicContact CG2-CG2 3.85Å; I7-V9 PolarHBondContact O-N 2.84Å
8I33.4Very low41.8Very low141 Ų141121.3 Ų121.372%0.72366%0.658SS**  trans-63.696156.1-60.6173000103.7N6 D10N6-I8 PolarHBondContact O-N 2.89Å; I8-D10 PolarHBondContact O-N 2.96Å
9V37.2Very low43.5Very low101 Ų101121.2 Ų121.261%0.61266%0.657SS**  trans-6296.6171.8177.80000105.3I7 P11I7-V9 HydrophobicContact CG2-CG2 3.85Å; I7-V9 PolarHBondContact O-N 2.84Å; V9-P11 WeakPolarHBondContact O-CD 3.13Å
10D33.2Very low45.3Very low79 Ų79116.9 Ų116.942%0.42263%0.633SS.*  trans-60.7109.8172-167-15000107.3I8 T12 K13I8-D10 PolarHBondContact O-N 2.96Å; D10-T12 PolarHBondContact O-N 3.07Å; D10-T12 PolarHBondContact OD1-N 2.71Å; D10-T12 PolarHBondContact OD1-OG1 3.38Å; D10-T12 PolarHBondContact OD2-OG1 2.97Å; D10-K13 PolarHBondContact O-N 3.02Å
11P38.2Very low47Very low97 Ų97115.4 Ų115.463%0.6362%0.624SS**G310 helixtrans-64.6-12.1-174.726.1-32.1000111.8V9 K13 V14V9-P11 WeakPolarHBondContact O-CD 3.13Å; P11-K13 VanDerWaalsContact C-N 3.34Å; P11-V14 PolarHBondContact O-N 3.23Å
12T35.9Very low49.1Very low88 Ų88110.5 Ų110.554%0.5460%0.596SS.*G310 helixtrans-71.3-23.8174.664.20000113.4D10 V14 T15D10-T12 PolarHBondContact O-N 3.07Å; D10-T12 PolarHBondContact OD1-N 2.71Å; D10-T12 PolarHBondContact OD1-OG1 3.38Å; D10-T12 PolarHBondContact OD2-OG1 2.97Å; T12-V14 VanDerWaalsContact C-N 3.3Å; T12-V14 PolarHBondContact O-N 3.04Å; T12-T15 PolarHBondContact O-OG1 3.12Å
13K36.2Very low51.6Low142 Ų142100.9 Ų100.962%0.61756%0.555SS**G310 helixtrans-81.8-4.8176.3-71.3-173.7-179.7177.80114.2D10 P11 T15D10-K13 PolarHBondContact O-N 3.02Å; P11-K13 VanDerWaalsContact C-N 3.34Å; K13-T15 VanDerWaalsContact C-N 3.25Å
14V43.4Very low53.9Low97 Ų9796.6 Ų96.659%0.58852%0.523SS*.G310 helixtrans-75.3-18.9173.6-178.90000111.3P11 T12 L16P11-V14 PolarHBondContact O-N 3.23Å; T12-V14 VanDerWaalsContact C-N 3.3Å; T12-V14 PolarHBondContact O-N 3.04Å; V14-L16 PolarHBondContact O-N 3.05Å; V14-L16 VanDerWaalsContact O-N 3.1Å
15T42.2Very low56.4Low102 Ų10293 Ų9363%0.62651%0.509SS*.SBendtrans-73.5112.4-178.764.40000109.1T12 K13 A17T12-T15 PolarHBondContact O-OG1 3.12Å; K13-T15 VanDerWaalsContact C-N 3.25Å; T15-A17 PolarHBondContact O-N 3.02Å
16L51.4Low58.6Low21 Ų2188.5 Ų88.511%0.1148%0.478CS..  trans-37.9133154.6-162.881.1000107.7V14 K18 D20 I21 I24 R196V14-L16 PolarHBondContact O-N 3.05Å; V14-L16 VanDerWaalsContact O-N 3.1Å; L16-K18 PolarHBondContact O-N 3Å; L16-K18 VanDerWaalsContact O-N 3.07Å; L16-D20 HydrophobicContact CD1-CB 3.98Å; L16-D20 HydrophobicContact CD2-CB 3.34Å; L16-D20 HydrophobicContact CG-CB 3.49Å; L16-D20 VanDerWaalsContact CG-CB 3.49Å; L16-I21 HydrophobicContact CB-CD1 4.23Å; L16-I21 HydrophobicContact CB-CG1 3.84Å; L16-I21 HydrophobicContact CD2-CB 4.11Å; L16-I21 HydrophobicContact CD2-CD1 4.45Å; L16-I21 HydrophobicContact CD2-CG1 3.29Å; L16-I21 VanDerWaalsContact CD2-N 3.31Å; L16-I21 HydrophobicContact CG-CG1 4.07Å; L16-I24 HydrophobicContact CD2-CD1 4.1Å; L16-R196 VanDerWaalsContact CD1-CZ 3.44Å
17A61.6Low61.3Low52 Ų5282.2 Ų82.243%0.4344%0.444SS..  trans-49.7129.317700000106.6T15 N19 D20T15-A17 PolarHBondContact O-N 3.02Å; A17-N19 CarbonylContact O-C 3.52Å; A17-N19 PolarHBondContact O-N 3.45Å; A17-D20 PolarHBondContact O-N 3.28Å
18K66.5Low63.8Low186 Ų18677.7 Ų77.781%0.80942%0.421SS*.Hα-helixtrans-47.2-29.4-176-73.2-179.7176.8178.20111.9L16 K22L16-K18 PolarHBondContact O-N 3Å; L16-K18 VanDerWaalsContact O-N 3.07Å; K18-K22 PolarHBondContact O-N 3.45Å
19N74Confident66.6Low119 Ų11973.8 Ų73.864%0.63641%0.407SS*.Hα-helixtrans-59.3-50.6173.1-65.9-5.3000113.6A17 I21 K22 V23A17-N19 CarbonylContact O-C 3.52Å; A17-N19 PolarHBondContact O-N 3.45Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 PolarHBondContact O-N 3Å; N19-K22 CarbonylContact O-C 3.38Å; N19-K22 WeakPolarHBondContact O-CA 3.48Å; N19-K22 VanDerWaalsContact O-CB 3.32Å; N19-K22 WeakPolarHBondContact O-CB 3.43Å; N19-K22 PolarHBondContact O-N 3.02Å; N19-K22 VanDerWaalsContact O-N 3.14Å; N19-V23 WeakPolarHBondContact O-CG2 3.4Å; N19-V23 PolarHBondContact O-N 2.86Å
20D79.2Confident69.3Low34 Ų3469 Ų6918%0.18238%0.377CS..Hα-helixtrans-63.5-35-178.6-57.2-19.7000111.4L16 A17 K22 V23 I24 L176L16-D20 HydrophobicContact CD1-CB 3.98Å; L16-D20 HydrophobicContact CD2-CB 3.34Å; L16-D20 HydrophobicContact CG-CB 3.49Å; L16-D20 VanDerWaalsContact CG-CB 3.49Å; A17-D20 PolarHBondContact O-N 3.28Å; D20-K22 VanDerWaalsContact C-N 3.31Å; D20-V23 PolarHBondContact O-N 3.13Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.27Å; D20-I24 PolarHBondContact O-N 3.35Å; D20-L176 HydrophobicContact CB-CD2 4.44Å
21I81Confident72.2Confident87 Ų8765.2 Ų65.245%0.44636%0.357SS..Hα-helixtrans-65.3-46.2178.1-60.5-175.6000107.4L16 N19 V23 I24 C25L16-I21 HydrophobicContact CB-CD1 4.23Å; L16-I21 HydrophobicContact CB-CG1 3.84Å; L16-I21 HydrophobicContact CD2-CB 4.11Å; L16-I21 HydrophobicContact CD2-CD1 4.45Å; L16-I21 HydrophobicContact CD2-CG1 3.29Å; L16-I21 VanDerWaalsContact CD2-N 3.31Å; L16-I21 HydrophobicContact CG-CG1 4.07Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 PolarHBondContact O-N 3Å; I21-V23 VanDerWaalsContact C-N 3.33Å; I21-V23 PolarHBondContact O-N 3.13Å; I21-I24 PolarHBondContact O-N 3.43Å; I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 3.21Å; I21-C25 PolarHBondContact O-SG 3.22Å
22K86.4Confident74.9Confident138 Ų13864 Ų6460%0.635%0.345SS*.Hα-helixtrans-58.6-43.5176.3-174.7-178.6177.2-177.70111.3K18 N19 D20 C25 I26K18-K22 PolarHBondContact O-N 3.45Å; N19-K22 CarbonylContact O-C 3.38Å; N19-K22 WeakPolarHBondContact O-CA 3.48Å; N19-K22 VanDerWaalsContact O-CB 3.32Å; N19-K22 WeakPolarHBondContact O-CB 3.43Å; N19-K22 PolarHBondContact O-N 3.02Å; N19-K22 VanDerWaalsContact O-N 3.14Å; D20-K22 VanDerWaalsContact C-N 3.31Å; K22-C25 PolarHBondContact O-N 3.48Å; K22-I26 HydrophobicContact CG-CD1 4.05Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.37Å; K22-I26 PolarHBondContact O-N 2.89Å
23V88.8Confident77.7Confident7 Ų760.7 Ų60.74%0.04233%0.325CS..Hα-helixtrans-61.9-47.3177-169.80000111.1N19 D20 I21 C25 I26 L27 L176 L249 P250 T252N19-V23 WeakPolarHBondContact O-CG2 3.4Å; N19-V23 PolarHBondContact O-N 2.86Å; D20-V23 PolarHBondContact O-N 3.13Å; I21-V23 VanDerWaalsContact C-N 3.33Å; I21-V23 PolarHBondContact O-N 3.13Å; V23-C25 VanDerWaalsContact C-N 3.34Å; V23-C25 PolarHBondContact O-N 3.43Å; V23-I26 PolarHBondContact O-N 2.74Å; V23-L27 HydrophobicContact CG1-CD1 4.04Å; V23-L27 HydrophobicContact CG1-CG 4.35Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.3Å; V23-L176 HydrophobicContact CB-CD1 4.16Å; V23-L176 HydrophobicContact CB-CD2 4.27Å; V23-L176 HydrophobicContact CG1-CD1 3.85Å; V23-L176 HydrophobicContact CG1-CD2 4.31Å; V23-L176 HydrophobicContact CG2-CD2 4.48Å; V23-L249 HydrophobicContact CG1-CD1 3.9Å; V23-P250 HydrophobicContact CB-CG 4.35Å; V23-P250 HydrophobicContact CG1-CG 4.27Å; V23-P250 HydrophobicContact CG2-CG 3.34Å; V23-T252 HydrophobicContact CG1-CG2 3.8Å
24I87.5Confident80.6Confident17 Ų1754 Ų549%0.08730%0.295CS..Hα-helixtrans-60.9-44.5179.3-67.5169.3000110.6L16 D20 I21 I26 L27 I28 L176 F200L16-I24 HydrophobicContact CD2-CD1 4.1Å; D20-I24 VanDerWaalsContact O-CG1 3.27Å; D20-I24 WeakPolarHBondContact O-CG1 3.27Å; D20-I24 PolarHBondContact O-N 3.35Å; I21-I24 PolarHBondContact O-N 3.43Å; I24-I26 PolarHBondContact O-N 3.24Å; I24-L27 PolarHBondContact O-N 3.01Å; I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 WeakPolarHBondContact O-CB 3.47Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.47Å; I24-L176 HydrophobicContact CG1-CD1 3.83Å; I24-F200 HydrophobicContact CD1-CD2 4.38Å; I24-F200 HydrophobicContact CD1-CE1 4.27Å; I24-F200 HydrophobicContact CD1-CE2 3.81Å; I24-F200 HydrophobicContact CD1-CZ 3.78Å; I24-F200 HydrophobicContact CG2-CD1 4.2Å; I24-F200 HydrophobicContact CG2-CE1 3.95Å; I24-F200 HydrophobicContact CG2-CZ 4.48Å
25C89.9Confident83Confident67 Ų6749.8 Ų49.845%0.45327%0.269SS..Hα-helixtrans-61.7-41.4176.6-71.40000112.6I21 K22 V23 S29I21-C25 WeakPolarHBondContact O-CB 3.43Å; I21-C25 PolarHBondContact O-N 3.21Å; I21-C25 PolarHBondContact O-SG 3.22Å; K22-C25 PolarHBondContact O-N 3.48Å; V23-C25 VanDerWaalsContact C-N 3.34Å; V23-C25 PolarHBondContact O-N 3.43Å; C25-S29 VanDerWaalsContact O-CB 3.31Å; C25-S29 WeakPolarHBondContact O-CB 3.43Å; C25-S29 PolarHBondContact O-N 3.22Å; C25-S29 PolarHBondContact O-OG 3.15Å
26I92.3Very high85.6Confident17 Ų1745.5 Ų45.59%0.08724%0.243CC..Hα-helixtrans-63-48.6174.6-67.3166.2000110.4K22 V23 I24 I28 S29 M30 F248 L249K22-I26 HydrophobicContact CG-CD1 4.05Å; K22-I26 VanDerWaalsContact O-CG1 3.26Å; K22-I26 WeakPolarHBondContact O-CG1 3.37Å; K22-I26 PolarHBondContact O-N 2.89Å; V23-I26 PolarHBondContact O-N 2.74Å; I24-I26 PolarHBondContact O-N 3.24Å; I26-I28 PolarHBondContact O-N 3.05Å; I26-S29 CarbonylContact O-C 3.59Å; I26-S29 PolarHBondContact O-N 2.96Å; I26-S29 VanDerWaalsContact O-N 3.12Å; I26-M30 HydrophobicContact CG2-CG 4.35Å; I26-M30 HydrophobicContact CG2-SD 3.87Å; I26-M30 VanDerWaalsContact O-CG 3.31Å; I26-M30 WeakPolarHBondContact O-CG 3.37Å; I26-M30 PolarHBondContact O-N 3.05Å; I26-F248 HydrophobicContact CD1-CB 4.43Å; I26-L249 HydrophobicContact CB-CD1 4.21Å; I26-L249 HydrophobicContact CG2-CB 4.21Å; I26-L249 HydrophobicContact CG2-CD1 3.72Å
27L91.8Very high87.7Confident1 Ų144.5 Ų44.51%0.00524%0.238CC..Hα-helixtrans-58-46.5178.8-71.8170.5000111.8V23 I24 S29 M30 V31 L121 F169 C172 L176 L249V23-L27 HydrophobicContact CG1-CD1 4.04Å; V23-L27 HydrophobicContact CG1-CG 4.35Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.3Å; I24-L27 PolarHBondContact O-N 3.01Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.24Å; L27-M30 WeakPolarHBondContact O-CB 3.29Å; L27-M30 PolarHBondContact O-N 3.12Å; L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 2.91Å; L27-L121 HydrophobicContact CD2-CD1 4.35Å; L27-F169 HydrophobicContact CD2-CD1 4.09Å; L27-F169 HydrophobicContact CD2-CE1 4.3Å; L27-C172 HydrophobicContact CD1-CB 3.83Å; L27-C172 HydrophobicContact CD2-CB 4.29Å; L27-L176 HydrophobicContact CD1-CD1 3.89Å; L27-L249 HydrophobicContact CD2-CD1 3.67Å; L27-L249 HydrophobicContact CD2-CD2 3.96Å; L27-L249 HydrophobicContact CD2-CG 4.5Å; L27-L249 HydrophobicContact CG-CD1 3.82Å
28I88.8Confident89.2Confident38 Ų3842 Ų4220%0.19522%0.217CC..Hα-helixtrans-60.4-42.8176.3-72.5170.1000111I24 I26 M30 V31 L203 I204 L207I24-I28 HydrophobicContact CG2-CD1 3.71Å; I24-I28 HydrophobicContact CG2-CG1 4.39Å; I24-I28 WeakPolarHBondContact O-CB 3.47Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.41Å; I24-I28 PolarHBondContact O-N 3.47Å; I26-I28 PolarHBondContact O-N 3.05Å; I28-M30 PolarHBondContact O-N 3.26Å; I28-V31 PolarHBondContact O-N 3.1Å; I28-L203 HydrophobicContact CD1-CD2 3.8Å; I28-I204 HydrophobicContact CG1-CG1 4.44Å; I28-L207 HydrophobicContact CG2-CD1 3.69Å
29S92.4Very high90.5Very high60 Ų6035.2 Ų35.242%0.4219%0.188SC..Hα-helixtrans-70.5-20.8179.8-55.30000112.9C25 I26 L27 P33 L245C25-S29 VanDerWaalsContact O-CB 3.31Å; C25-S29 WeakPolarHBondContact O-CB 3.43Å; C25-S29 PolarHBondContact O-N 3.22Å; C25-S29 PolarHBondContact O-OG 3.15Å; I26-S29 CarbonylContact O-C 3.59Å; I26-S29 PolarHBondContact O-N 2.96Å; I26-S29 VanDerWaalsContact O-N 3.12Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.24Å; S29-P33 WeakPolarHBondContact O-CD 3.41Å; S29-P33 WeakPolarHBondContact O-CG 3.24Å; S29-L245 WeakPolarHBondContact O-CD1 3.45Å
30M94.6Very high91.6Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-82.1-41.5172.4-72.1174.972.200112.3I26 L27 I28 I32 P33 F34 I125 F169 V242 L245 I246 L249I26-M30 HydrophobicContact CG2-CG 4.35Å; I26-M30 HydrophobicContact CG2-SD 3.87Å; I26-M30 VanDerWaalsContact O-CG 3.31Å; I26-M30 WeakPolarHBondContact O-CG 3.37Å; I26-M30 PolarHBondContact O-N 3.05Å; L27-M30 WeakPolarHBondContact O-CB 3.29Å; L27-M30 PolarHBondContact O-N 3.12Å; I28-M30 PolarHBondContact O-N 3.26Å; M30-I32 PolarHBondContact O-N 2.87Å; M30-P33 WeakPolarHBondContact O-CD 3.32Å; M30-P33 WeakPolarHBondContact O-CG 3.27Å; M30-F34 WeakPolarHBondContact O-CB 3.48Å; M30-F34 PolarHBondContact O-N 3.07Å; M30-F34 VanDerWaalsContact O-N 3.08Å; M30-I125 HydrophobicContact CE-CD1 3.53Å; M30-F169 HydrophobicContact CB-CE1 4.38Å; M30-V242 HydrophobicContact CE-CG1 4.38Å; M30-L245 HydrophobicContact CG-CB 3.38Å; M30-L245 HydrophobicContact CG-CD1 3.74Å; M30-L245 HydrophobicContact CG-CG 4.19Å; M30-L245 HydrophobicContact SD-CB 3.94Å; M30-I246 HydrophobicContact CE-CB 3.79Å; M30-I246 HydrophobicContact CE-CD1 4.04Å; M30-I246 HydrophobicContact CE-CG1 4.48Å; M30-L249 HydrophobicContact SD-CD2 4.38Å
31V93.9Very high92.3Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-57.3-49.4-176.6165.20000111.3L27 I28 F34 Y35 F169 I204 L207 A208L27-V31 VanDerWaalsContact O-CG2 3.31Å; L27-V31 WeakPolarHBondContact O-CG2 3.32Å; L27-V31 PolarHBondContact O-N 2.91Å; I28-V31 PolarHBondContact O-N 3.1Å; V31-F34 PolarHBondContact O-N 3.29Å; V31-Y35 HydrophobicContact CG1-CD2 3.74Å; V31-Y35 HydrophobicContact CG1-CE2 3.96Å; V31-Y35 VanDerWaalsContact O-CD2 3.31Å; V31-Y35 WeakPolarHBondContact O-CD2 3.24Å; V31-Y35 PolarHBondContact O-N 3.18Å; V31-F169 HydrophobicContact CG2-CD1 3.77Å; V31-F169 HydrophobicContact CG2-CD2 3.97Å; V31-F169 HydrophobicContact CG2-CE1 3.84Å; V31-F169 HydrophobicContact CG2-CE2 4.04Å; V31-F169 HydrophobicContact CG2-CG 3.86Å; V31-F169 HydrophobicContact CG2-CZ 3.98Å; V31-I204 HydrophobicContact CG1-CG2 4.37Å; V31-I204 HydrophobicContact CG2-CD1 4.19Å; V31-I204 HydrophobicContact CG2-CG2 4.05Å; V31-L207 HydrophobicContact CG1-CB 4.43Å; V31-A208 HydrophobicContact CG1-CB 4.34Å
32I94.2Very high92.8Very high71 Ų7125.6 Ų25.636%0.36414%0.139SC..Hα-helixtrans-57.8-59.6-175.5-61.5169.3000112.1M30 F34 T36 L207M30-I32 PolarHBondContact O-N 2.87Å; I32-F34 VanDerWaalsContact C-N 3.31Å; I32-F34 PolarHBondContact O-N 2.98Å; I32-T36 VanDerWaalsContact O-CB 3.28Å; I32-T36 WeakPolarHBondContact O-CB 3.49Å; I32-T36 PolarHBondContact O-N 3.26Å; I32-T36 PolarHBondContact O-OG1 3.06Å; I32-L207 HydrophobicContact CD1-CD2 4.26Å; I32-L207 HydrophobicContact CG1-CB 4.46Å; I32-L207 HydrophobicContact CG1-CD2 4.47Å
33P95.9Very high93.2Very high19 Ų1919.4 Ų19.412%0.12311%0.112CC..Hα-helixtrans-64.8-33.7179.522.8-31.6000112.9S29 M30 T36 A37 I238 V242S29-P33 WeakPolarHBondContact O-CD 3.41Å; S29-P33 WeakPolarHBondContact O-CG 3.24Å; M30-P33 WeakPolarHBondContact O-CD 3.32Å; M30-P33 WeakPolarHBondContact O-CG 3.27Å; P33-T36 PolarHBondContact O-N 3.29Å; P33-A37 VanDerWaalsContact O-CB 3.29Å; P33-A37 WeakPolarHBondContact O-CB 3.4Å; P33-A37 PolarHBondContact O-N 3.06Å; P33-I238 HydrophobicContact CB-CG2 4.15Å; P33-I238 VanDerWaalsContact CB-O 3.27Å; P33-I238 WeakPolarHBondContact CB-O 3.34Å; P33-V242 HydrophobicContact CB-CG2 3.82Å; P33-V242 HydrophobicContact CG-CG2 3.79Å
34F96.1Very high93.5Very high0 Ų019.1 Ų19.10%011%0.11CC..Hα-helixtrans-60.4-58.2177.9176.9-94.3000111.6M30 V31 I32 T36 A37 V38 L124 E128 L162 A165 F169 Y239 V242M30-F34 WeakPolarHBondContact O-CB 3.48Å; M30-F34 PolarHBondContact O-N 3.07Å; M30-F34 VanDerWaalsContact O-N 3.08Å; V31-F34 PolarHBondContact O-N 3.29Å; I32-F34 VanDerWaalsContact C-N 3.31Å; I32-F34 PolarHBondContact O-N 2.98Å; F34-T36 VanDerWaalsContact C-N 3.29Å; F34-T36 PolarHBondContact O-N 2.96Å; F34-A37 PolarHBondContact O-N 3.42Å; F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CG2 4.21Å; F34-V38 HydrophobicContact CZ-CG2 4.1Å; F34-V38 VanDerWaalsContact O-CG2 3.27Å; F34-V38 WeakPolarHBondContact O-CG2 3.28Å; F34-V38 PolarHBondContact O-N 3.36Å; F34-L124 HydrophobicContact CE1-CD2 4.38Å; F34-L124 HydrophobicContact CE2-CD2 3.57Å; F34-L124 HydrophobicContact CZ-CD2 3.48Å; F34-L124 VanDerWaalsContact CZ-CD2 3.48Å; F34-E128 HydrophobicContact CE2-CB 4.07Å; F34-E128 HydrophobicContact CE2-CG 3.78Å; F34-E128 HydrophobicContact CZ-CG 3.83Å; F34-L162 HydrophobicContact CD1-CD2 4.45Å; F34-L162 HydrophobicContact CE1-CD2 3.72Å; F34-L162 HydrophobicContact CZ-CD2 4.39Å; F34-A165 HydrophobicContact CD1-CB 4.3Å; F34-A165 HydrophobicContact CE1-CB 3.33Å; F34-A165 HydrophobicContact CZ-CB 3.7Å; F34-F169 HydrophobicContact CD1-CE2 4.15Å; F34-Y239 AromaticContact CD2-CE2 3.86Å; F34-Y239 HydrophobicContact CD2-CE2 3.86Å; F34-Y239 HydrophobicContact CE2-CE2 4.24Å; F34-V242 HydrophobicContact CB-CG1 4.21Å; F34-V242 HydrophobicContact CB-CG2 3.88Å; F34-V242 HydrophobicContact CD2-CG1 4.09Å
35Y94.7Very high93.8Very high10 Ų1018.5 Ų18.54%0.03911%0.108CC..Hα-helixtrans-65.5-34.6179.6-80.9-88.4000111.9V31 E39 L162 I166 F169 A208 S211 L212V31-Y35 HydrophobicContact CG1-CD2 3.74Å; V31-Y35 HydrophobicContact CG1-CE2 3.96Å; V31-Y35 VanDerWaalsContact O-CD2 3.31Å; V31-Y35 WeakPolarHBondContact O-CD2 3.24Å; V31-Y35 PolarHBondContact O-N 3.18Å; Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.88Å; Y35-L162 HydrophobicContact CD1-CD2 3.69Å; Y35-L162 HydrophobicContact CE1-CD2 3.76Å; Y35-L162 HydrophobicContact CG-CD2 4.44Å; Y35-I166 VanDerWaalsContact OH-CA 3.3Å; Y35-I166 WeakPolarHBondContact OH-CA 3.31Å; Y35-I166 VanDerWaalsContact OH-CB 3.27Å; Y35-I166 WeakPolarHBondContact OH-CB 3.15Å; Y35-I166 WeakPolarHBondContact OH-CD1 3.26Å; Y35-I166 PolarHBondContact OH-N 3.49Å; Y35-F169 HydrophobicContact CE2-CD2 4.29Å; Y35-F169 HydrophobicContact CE2-CE2 4.26Å; Y35-A208 HydrophobicContact CD1-CB 3.99Å; Y35-A208 HydrophobicContact CD2-CB 3.86Å; Y35-A208 HydrophobicContact CE1-CB 3.9Å; Y35-A208 HydrophobicContact CE2-CB 3.78Å; Y35-A208 HydrophobicContact CG-CB 3.98Å; Y35-S211 WeakPolarHBondContact CB-OG 3.44Å; Y35-L212 HydrophobicContact CD1-CD2 4.05Å; Y35-L212 HydrophobicContact CD1-CG 4.25Å
36T95.6Very high93.9Very high12 Ų1216.8 Ų16.87%0.0749%0.094CC..Hα-helixtrans-63.6-49.4178.2-55.20000111.4I32 P33 F34 I40 S211 A215 I238I32-T36 VanDerWaalsContact O-CB 3.28Å; I32-T36 WeakPolarHBondContact O-CB 3.49Å; I32-T36 PolarHBondContact O-N 3.26Å; I32-T36 PolarHBondContact O-OG1 3.06Å; P33-T36 PolarHBondContact O-N 3.29Å; F34-T36 VanDerWaalsContact C-N 3.29Å; F34-T36 PolarHBondContact O-N 2.96Å; T36-I40 HydrophobicContact CG2-CD1 3.97Å; T36-I40 VanDerWaalsContact O-CG1 3.23Å; T36-I40 WeakPolarHBondContact O-CG1 3.46Å; T36-I40 PolarHBondContact O-N 3.44Å; T36-S211 WeakPolarHBondContact OG1-CB 3.3Å; T36-A215 HydrophobicContact CG2-CB 4Å; T36-A215 WeakPolarHBondContact O-CB 3.16Å; T36-I238 HydrophobicContact CG2-CD1 4.31Å; T36-I238 HydrophobicContact CG2-CG2 4.13Å
37A96.4Very high93.9Very high0 Ų016 Ų160%09%0.09CC..Hα-helixtrans-67.7-43.1-17900000112.3P33 F34 E39 I40 S41 C235 I238 Y239P33-A37 VanDerWaalsContact O-CB 3.29Å; P33-A37 WeakPolarHBondContact O-CB 3.4Å; P33-A37 PolarHBondContact O-N 3.06Å; F34-A37 PolarHBondContact O-N 3.42Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 2.94Å; A37-I40 PolarHBondContact O-N 3.2Å; A37-S41 PolarHBondContact O-N 3Å; A37-C235 PolarHBondContact O-SG 3.3Å; A37-I238 HydrophobicContact CB-CB 4.4Å; A37-I238 HydrophobicContact CB-CG2 4.01Å; A37-Y239 HydrophobicContact CB-CD2 3.69Å; A37-Y239 HydrophobicContact CB-CG 4.25Å
38V94.2Very high94.1Very high0 Ų016.1 Ų16.10%09%0.09CC..Hα-helixtrans-61.9-42.6179.1176.80000110.5F34 I40 S41 T42 L162F34-V38 HydrophobicContact CE1-CG2 4.36Å; F34-V38 HydrophobicContact CE2-CG2 4.21Å; F34-V38 HydrophobicContact CZ-CG2 4.1Å; F34-V38 VanDerWaalsContact O-CG2 3.27Å; F34-V38 WeakPolarHBondContact O-CG2 3.28Å; F34-V38 PolarHBondContact O-N 3.36Å; V38-I40 PolarHBondContact O-N 2.89Å; V38-S41 WeakPolarHBondContact O-CB 3.18Å; V38-S41 PolarHBondContact O-N 2.86Å; V38-S41 VanDerWaalsContact O-N 3.16Å; V38-T42 HydrophobicContact CG1-CG2 4.48Å; V38-T42 WeakPolarHBondContact O-CG2 3.48Å; V38-T42 PolarHBondContact O-N 3.41Å; V38-T42 PolarHBondContact O-OG1 3.22Å; V38-L162 HydrophobicContact CB-CD2 3.82Å; V38-L162 HydrophobicContact CB-CG 4.41Å; V38-L162 HydrophobicContact CG1-CD1 3.9Å; V38-L162 HydrophobicContact CG1-CD2 3.56Å; V38-L162 HydrophobicContact CG1-CG 3.61Å; V38-L162 HydrophobicContact CG2-CD2 4.2Å
39E93.3Very high94.3Very high43 Ų4314.3 Ų14.320%0.2018%0.081CC..Hα-helixtrans-69.5-31.8177.1-177.762-165.800113.7Y35 A37 S41 T42 F43 L212 A215 S216Y35-E39 WeakPolarHBondContact O-CB 3.31Å; Y35-E39 PolarHBondContact O-N 2.88Å; A37-E39 VanDerWaalsContact C-N 3.31Å; A37-E39 PolarHBondContact O-N 2.94Å; E39-S41 VanDerWaalsContact C-N 3.33Å; E39-T42 VanDerWaalsContact CA-OG1 3.28Å; E39-T42 WeakPolarHBondContact CA-OG1 3.23Å; E39-T42 PolarHBondContact O-OG1 3.26Å; E39-T42 PolarHBondContact OE2-OG1 2.91Å; E39-F43 VanDerWaalsContact O-CB 3.23Å; E39-F43 WeakPolarHBondContact O-CB 3.39Å; E39-F43 PolarHBondContact O-N 3.32Å; E39-L212 HydrophobicContact CB-CD2 3.57Å; E39-L212 HydrophobicContact CG-CB 4.41Å; E39-L212 HydrophobicContact CG-CD2 3.92Å; E39-A215 HydrophobicContact CB-CB 3.59Å; E39-A215 HydrophobicContact CG-CB 3.62Å; E39-S216 PolarHBondContact OE1-OG 3.3Å
40I96Very high94.4Very high0 Ų011.6 Ų11.60%06%0.062CC..Hα-helixtrans-64-43.2170-68.3166.2000109.7T36 A37 V38 F43 I44 A215 I218 A219 T231 C235 I238T36-I40 HydrophobicContact CG2-CD1 3.97Å; T36-I40 VanDerWaalsContact O-CG1 3.23Å; T36-I40 WeakPolarHBondContact O-CG1 3.46Å; T36-I40 PolarHBondContact O-N 3.44Å; A37-I40 PolarHBondContact O-N 3.2Å; V38-I40 PolarHBondContact O-N 2.89Å; I40-F43 PolarHBondContact O-N 2.95Å; I40-I44 HydrophobicContact CG2-CD1 3.78Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 WeakPolarHBondContact O-CB 3.46Å; I40-I44 VanDerWaalsContact O-CG1 3.22Å; I40-I44 WeakPolarHBondContact O-CG1 3.34Å; I40-I44 PolarHBondContact O-N 3.2Å; I40-A215 HydrophobicContact CG1-CB 4.01Å; I40-I218 HydrophobicContact CD1-CG2 4.3Å; I40-A219 HydrophobicContact CB-CB 4.43Å; I40-A219 HydrophobicContact CG1-CB 4.15Å; I40-A219 HydrophobicContact CG2-CB 4.21Å; I40-T231 HydrophobicContact CG2-CG2 4Å; I40-C235 HydrophobicContact CB-CB 4.31Å; I40-C235 HydrophobicContact CG2-CB 3.67Å; I40-I238 HydrophobicContact CD1-CD1 3.65Å
41S94.9Very high94.4Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-61.2-48.5178.1-172.40000111.7A37 V38 E39 F43 I44 C45 Q131A37-S41 PolarHBondContact O-N 3Å; V38-S41 WeakPolarHBondContact O-CB 3.18Å; V38-S41 PolarHBondContact O-N 2.86Å; V38-S41 VanDerWaalsContact O-N 3.16Å; E39-S41 VanDerWaalsContact C-N 3.33Å; S41-F43 PolarHBondContact O-N 2.86Å; S41-I44 WeakPolarHBondContact O-CB 3.31Å; S41-I44 PolarHBondContact O-N 2.75Å; S41-C45 PolarHBondContact O-N 3.03Å; S41-C45 PolarHBondContact O-SG 3.36Å; S41-C45 VanDerWaalsContact O-SG 3.36Å; S41-Q131 PolarHBondContact OG-NE2 3.23Å; S41-Q131 PolarHBondContact OG-OE1 2.93Å
42T92Very high94.3Very high38 Ų3814.7 Ų14.723%0.2338%0.076CC..Hα-helixtrans-60.9-44.517756.40000111.3V38 E39 I44 C45 D46V38-T42 HydrophobicContact CG1-CG2 4.48Å; V38-T42 WeakPolarHBondContact O-CG2 3.48Å; V38-T42 PolarHBondContact O-N 3.41Å; V38-T42 PolarHBondContact O-OG1 3.22Å; E39-T42 VanDerWaalsContact CA-OG1 3.28Å; E39-T42 WeakPolarHBondContact CA-OG1 3.23Å; E39-T42 PolarHBondContact O-OG1 3.26Å; E39-T42 PolarHBondContact OE2-OG1 2.91Å; T42-I44 VanDerWaalsContact C-N 3.34Å; T42-I44 PolarHBondContact O-N 3.26Å; T42-C45 WeakPolarHBondContact O-CB 3.32Å; T42-C45 PolarHBondContact O-N 3.35Å; T42-D46 PolarHBondContact O-N 3.48Å
43F93.4Very high94.4Very high8 Ų811.7 Ų11.74%0.0356%0.06CC..Hα-helixtrans-62.9-39.1177-165.5-85.8000112.1E39 I40 S41 Q47 A219 I223E39-F43 VanDerWaalsContact O-CB 3.23Å; E39-F43 WeakPolarHBondContact O-CB 3.39Å; E39-F43 PolarHBondContact O-N 3.32Å; I40-F43 PolarHBondContact O-N 2.95Å; S41-F43 PolarHBondContact O-N 2.86Å; F43-Q47 HydrophobicContact CD1-CG 3.77Å; F43-Q47 HydrophobicContact CE1-CG 3.52Å; F43-Q47 HydrophobicContact CZ-CG 4.13Å; F43-Q47 WeakPolarHBondContact O-CB 3.35Å; F43-Q47 WeakPolarHBondContact O-CG 3.43Å; F43-Q47 PolarHBondContact O-N 2.97Å; F43-Q47 VanDerWaalsContact O-N 3.08Å; F43-A219 HydrophobicContact CB-CB 3.98Å; F43-A219 HydrophobicContact CD1-CB 3.53Å; F43-A219 HydrophobicContact CE1-CB 4.21Å; F43-A219 HydrophobicContact CG-CB 3.86Å; F43-I223 HydrophobicContact CD1-CD1 3.69Å; F43-I223 HydrophobicContact CE1-CD1 3.89Å
44I95Very high94.2Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-61.5-48.6172.8-72.4166.6000110.3I40 S41 T42 D46 Q47 F48 V135 V139 I223 T231 M232I40-I44 HydrophobicContact CG2-CD1 3.78Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 WeakPolarHBondContact O-CB 3.46Å; I40-I44 VanDerWaalsContact O-CG1 3.22Å; I40-I44 WeakPolarHBondContact O-CG1 3.34Å; I40-I44 PolarHBondContact O-N 3.2Å; S41-I44 WeakPolarHBondContact O-CB 3.31Å; S41-I44 PolarHBondContact O-N 2.75Å; T42-I44 VanDerWaalsContact C-N 3.34Å; T42-I44 PolarHBondContact O-N 3.26Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 2.8Å; I44-Q47 PolarHBondContact O-N 3.21Å; I44-F48 WeakPolarHBondContact O-CB 3.42Å; I44-F48 PolarHBondContact O-N 3.44Å; I44-V135 HydrophobicContact CG2-CG1 4.28Å; I44-V139 HydrophobicContact CG2-CG2 3.79Å; I44-I223 HydrophobicContact CG1-CD1 4.17Å; I44-T231 HydrophobicContact CD1-CG2 3.86Å; I44-T231 HydrophobicContact CG1-CG2 4.04Å; I44-M232 HydrophobicContact CD1-CB 4.36Å; I44-M232 HydrophobicContact CD1-SD 3.97Å
45C93.8Very high94Very high5 Ų514.4 Ų14.43%0.0348%0.076CC..Hα-helixtrans-55.5-47.2179.8-72.90000111.8S41 T42 T49 V135 L148S41-C45 PolarHBondContact O-N 3.03Å; S41-C45 PolarHBondContact O-SG 3.36Å; S41-C45 VanDerWaalsContact O-SG 3.36Å; T42-C45 WeakPolarHBondContact O-CB 3.32Å; T42-C45 PolarHBondContact O-N 3.35Å; C45-T49 WeakPolarHBondContact O-CB 3.35Å; C45-T49 PolarHBondContact O-N 3.13Å; C45-T49 PolarHBondContact O-OG1 3.34Å; C45-V135 VanDerWaalsContact SG-CG2 3.54Å; C45-L148 HydrophobicContact CB-CD1 4.22Å
46D92.1Very high93.8Very high31 Ų3119.6 Ų19.617%0.16610%0.101CC..Hα-helixtrans-63.5-47.4-179.9-73.5-24.7000112.1T42 I44 F50 P327T42-D46 PolarHBondContact O-N 3.48Å; I44-D46 VanDerWaalsContact C-N 3.32Å; I44-D46 PolarHBondContact O-N 2.8Å; D46-F50 PolarHBondContact O-N 2.82Å; D46-P327 HydrophobicContact CB-CB 4.44Å; D46-P327 VanDerWaalsContact CG-CB 3.48Å; D46-P327 VanDerWaalsContact OD1-CB 3.26Å; D46-P327 WeakPolarHBondContact OD1-CB 3.36Å; D46-P327 WeakPolarHBondContact OD2-CB 3.46Å
47Q93.5Very high93.6Very high0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-71-40.6-177.8-69.5-65.2-31.500112.5F43 I44 F50 Y51 Y61 I223 F228 M334F43-Q47 HydrophobicContact CD1-CG 3.77Å; F43-Q47 HydrophobicContact CE1-CG 3.52Å; F43-Q47 HydrophobicContact CZ-CG 4.13Å; F43-Q47 WeakPolarHBondContact O-CB 3.35Å; F43-Q47 WeakPolarHBondContact O-CG 3.43Å; F43-Q47 PolarHBondContact O-N 2.97Å; F43-Q47 VanDerWaalsContact O-N 3.08Å; I44-Q47 PolarHBondContact O-N 3.21Å; Q47-F50 PolarHBondContact O-N 3.14Å; Q47-Y51 VanDerWaalsContact O-CB 3.32Å; Q47-Y51 WeakPolarHBondContact O-CB 3.05Å; Q47-Y51 PolarHBondContact O-N 2.98Å; Q47-Y61 PolarHBondContact OE1-OH 2.81Å; Q47-I223 HydrophobicContact CB-CD1 4.21Å; Q47-I223 HydrophobicContact CG-CD1 4.23Å; Q47-F228 HydrophobicContact CB-CE1 3.74Å; Q47-F228 HydrophobicContact CB-CZ 4.3Å; Q47-M334 VanDerWaalsContact OE1-CE 3.31Å; Q47-M334 PolarHBondContact OE1-SD 3.38Å
48F94.8Very high93.1Very high3 Ų324.9 Ų24.91%0.01314%0.141CC..Hα-helixtrans-67-39.3179.5-177.2-95.1000111.3I44 F50 Y51 S52 V138 V139 L148 F228I44-F48 WeakPolarHBondContact O-CB 3.42Å; I44-F48 PolarHBondContact O-N 3.44Å; F48-F50 VanDerWaalsContact C-N 3.33Å; F48-F50 PolarHBondContact O-N 3.09Å; F48-Y51 HydrophobicContact CD2-CD1 4.31Å; F48-Y51 HydrophobicContact CE2-CD1 4.4Å; F48-Y51 PolarHBondContact O-N 2.95Å; F48-S52 WeakPolarHBondContact CE1-OG 3.48Å; F48-S52 WeakPolarHBondContact CZ-OG 3.5Å; F48-S52 WeakPolarHBondContact O-CB 3.31Å; F48-S52 PolarHBondContact O-N 2.94Å; F48-S52 PolarHBondContact O-OG 3.42Å; F48-S52 VanDerWaalsContact O-OG 3.07Å; F48-V138 HydrophobicContact CD1-CG1 4.41Å; F48-V138 HydrophobicContact CE1-CG1 3.8Å; F48-V138 HydrophobicContact CZ-CG1 4.47Å; F48-V139 HydrophobicContact CD2-CG2 4.17Å; F48-V139 HydrophobicContact CE2-CG2 4.43Å; F48-V139 HydrophobicContact CG-CG2 4.3Å; F48-L148 HydrophobicContact CD1-CD1 4.16Å; F48-F228 HydrophobicContact CB-CD1 4.17Å; F48-F228 HydrophobicContact CB-CE1 4.08Å; F48-F228 HydrophobicContact CD2-CB 4.47Å; F48-F228 HydrophobicContact CD2-CD1 4.22Å; F48-F228 HydrophobicContact CD2-CD2 4.4Å; F48-F228 HydrophobicContact CD2-CG 4.11Å
49T94.6Very high92.8Very high0 Ų025.5 Ų25.50%014%0.144CC..Hα-helixtrans-57.3-49175.2-58.80000110.7C45 F53 T86 V89 P145 L148C45-T49 WeakPolarHBondContact O-CB 3.35Å; C45-T49 PolarHBondContact O-N 3.13Å; C45-T49 PolarHBondContact O-OG1 3.34Å; T49-F53 HydrophobicContact CG2-CD2 4Å; T49-F53 HydrophobicContact CG2-CE2 3.79Å; T49-F53 WeakPolarHBondContact O-CD2 3.28Å; T49-F53 PolarHBondContact O-N 2.82Å; T49-T86 HydrophobicContact CG2-CG2 3.83Å; T49-V89 HydrophobicContact CG2-CB 3.78Å; T49-V89 HydrophobicContact CG2-CG1 3.68Å; T49-P145 HydrophobicContact CG2-CB 3.99Å; T49-L148 WeakPolarHBondContact OG1-CD1 3.37Å
50F93.6Very high92.4Very high4 Ų426.6 Ų26.62%0.01816%0.155CC..Hα-helixtrans-66.1-44178.6-170.2-125.9000112.5D46 Q47 F48 S52 F53 L54 Y61 Q83 T86 V331 M334D46-F50 PolarHBondContact O-N 2.82Å; Q47-F50 PolarHBondContact O-N 3.14Å; F48-F50 VanDerWaalsContact C-N 3.33Å; F48-F50 PolarHBondContact O-N 3.09Å; F50-S52 PolarHBondContact O-N 3.02Å; F50-F53 PolarHBondContact O-N 3.35Å; F50-L54 HydrophobicContact CD1-CD1 3.78Å; F50-L54 HydrophobicContact CD2-CD1 4.48Å; F50-L54 HydrophobicContact CD2-CG 4.42Å; F50-L54 HydrophobicContact CE1-CD1 3.41Å; F50-L54 VanDerWaalsContact CE1-CD1 3.41Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.17Å; F50-L54 HydrophobicContact CE2-CD2 4.3Å; F50-L54 HydrophobicContact CE2-CG 4.11Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 HydrophobicContact CZ-CD1 3.64Å; F50-L54 HydrophobicContact CZ-CD2 4.15Å; F50-L54 HydrophobicContact CZ-CG 4.03Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 2.92Å; F50-Y61 HydrophobicContact CD1-CE2 4.36Å; F50-Q83 HydrophobicContact CE2-CG 3.8Å; F50-Q83 HydrophobicContact CZ-CG 4.32Å; F50-T86 HydrophobicContact CB-CG2 3.85Å; F50-T86 HydrophobicContact CD2-CG2 4.08Å; F50-T86 WeakPolarHBondContact CD2-OG1 3.33Å; F50-T86 HydrophobicContact CG-CG2 4.41Å; F50-V331 HydrophobicContact CD2-CG1 4.17Å; F50-V331 HydrophobicContact CE2-CG1 4.04Å; F50-M334 HydrophobicContact CD1-CB 4.08Å; F50-M334 HydrophobicContact CD1-CE 3.88Å; F50-M334 HydrophobicContact CD1-CG 4.47Å; F50-M334 HydrophobicContact CD1-SD 3.63Å; F50-M334 HydrophobicContact CE1-CB 3.5Å; F50-M334 HydrophobicContact CE1-CE 4.16Å; F50-M334 HydrophobicContact CE1-CG 4.34Å; F50-M334 HydrophobicContact CE1-SD 4.05Å; F50-M334 HydrophobicContact CZ-CB 4.26Å
51Y93.7Very high92Very high50 Ų5028.4 Ų28.420%0.19616%0.162CC..Hα-helixtrans-55.2-47.8176.4166-96.9000112.6Q47 F48 L54 T55 Y61 F228Q47-Y51 VanDerWaalsContact O-CB 3.32Å; Q47-Y51 WeakPolarHBondContact O-CB 3.05Å; Q47-Y51 PolarHBondContact O-N 2.98Å; F48-Y51 HydrophobicContact CD2-CD1 4.31Å; F48-Y51 HydrophobicContact CE2-CD1 4.4Å; F48-Y51 PolarHBondContact O-N 2.95Å; Y51-L54 PolarHBondContact O-N 3.44Å; Y51-T55 WeakPolarHBondContact O-CB 3.25Å; Y51-T55 PolarHBondContact O-N 3.32Å; Y51-T55 PolarHBondContact O-OG1 3.31Å; Y51-Y61 AromaticContact CD2-CD1 3.93Å; Y51-Y61 HydrophobicContact CD2-CD1 3.93Å; Y51-Y61 AromaticContact CD2-CD2 3.97Å; Y51-Y61 HydrophobicContact CD2-CD2 3.97Å; Y51-Y61 AromaticContact CD2-CG 3.59Å; Y51-Y61 HydrophobicContact CD2-CG 3.59Å; Y51-Y61 HydrophobicContact CE2-CG 4.5Å; Y51-Y61 HydrophobicContact CG-CD2 4.38Å; Y51-Y61 HydrophobicContact CG-CG 4.42Å; Y51-F228 HydrophobicContact CD1-CD2 4.32Å; Y51-F228 AromaticContact CD1-CE2 3.82Å; Y51-F228 HydrophobicContact CD1-CE2 3.82Å; Y51-F228 HydrophobicContact CD1-CZ 4.44Å; Y51-F228 AromaticContact CD2-CE2 3.68Å; Y51-F228 HydrophobicContact CD2-CE2 3.68Å; Y51-F228 HydrophobicContact CD2-CZ 4.33Å; Y51-F228 HydrophobicContact CE1-CE2 4.35Å; Y51-F228 HydrophobicContact CE2-CE2 4.21Å; Y51-F228 HydrophobicContact CG-CD2 4.37Å; Y51-F228 AromaticContact CG-CE2 3.46Å; Y51-F228 HydrophobicContact CG-CE2 3.46Å; Y51-F228 VanDerWaalsContact CG-CE2 3.46Å; Y51-F228 AromaticContact CG-CZ 3.9Å; Y51-F228 HydrophobicContact CG-CZ 3.9Å
52S93.5Very high91.1Very high14 Ų1429.2 Ų29.210%0.09817%0.171CC..Hα-helixtrans-64.5-46.1-177.6-67.50000111.6F48 F50 L54 T55 E56 P145F48-S52 WeakPolarHBondContact CE1-OG 3.48Å; F48-S52 WeakPolarHBondContact CZ-OG 3.5Å; F48-S52 WeakPolarHBondContact O-CB 3.31Å; F48-S52 PolarHBondContact O-N 2.94Å; F48-S52 PolarHBondContact O-OG 3.42Å; F48-S52 VanDerWaalsContact O-OG 3.07Å; F50-S52 PolarHBondContact O-N 3.02Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.48Å; S52-T55 PolarHBondContact O-N 3.16Å; S52-E56 WeakPolarHBondContact O-CB 3.45Å; S52-E56 WeakPolarHBondContact O-CG 3.27Å; S52-E56 PolarHBondContact O-N 3.46Å; S52-P145 VanDerWaalsContact CB-CG 3.4Å
53F94.8Very high90.3Very high8 Ų835.1 Ų35.14%0.03519%0.19CC..Hα-helixtrans-68.1-30.6178.8-74.8-55.9000114T49 F50 E56 R57 A82 Q85 T86 V89 P145T49-F53 HydrophobicContact CG2-CD2 4Å; T49-F53 HydrophobicContact CG2-CE2 3.79Å; T49-F53 WeakPolarHBondContact O-CD2 3.28Å; T49-F53 PolarHBondContact O-N 2.82Å; F50-F53 PolarHBondContact O-N 3.35Å; F53-E56 WeakPolarHBondContact CD1-OE2 3.46Å; F53-R57 PolarHBondContact O-NH1 3.4Å; F53-A82 HydrophobicContact CB-CB 4.11Å; F53-Q85 HydrophobicContact CD1-CB 3.91Å; F53-Q85 HydrophobicContact CD2-CB 4.02Å; F53-Q85 HydrophobicContact CE1-CB 3.8Å; F53-Q85 HydrophobicContact CE1-CG 4.44Å; F53-Q85 HydrophobicContact CE2-CB 3.9Å; F53-Q85 HydrophobicContact CG-CB 4.02Å; F53-Q85 HydrophobicContact CZ-CB 3.79Å; F53-T86 WeakPolarHBondContact CD2-OG1 3.28Å; F53-V89 HydrophobicContact CE2-CB 4.27Å; F53-V89 HydrophobicContact CE2-CG2 3.66Å; F53-V89 HydrophobicContact CZ-CG2 3.71Å; F53-P145 HydrophobicContact CD2-CG 4.46Å; F53-P145 HydrophobicContact CE2-CB 4.09Å; F53-P145 HydrophobicContact CE2-CG 4.16Å; F53-P145 HydrophobicContact CZ-CB 4.31Å; F53-P145 HydrophobicContact CZ-CG 4.27Å
54L92.2Very high89.2Confident8 Ų836.7 Ų36.74%0.04221%0.209CC..Hα-helixtrans-68-46.6170.8-75.6176.1000111.2F50 Y51 S52 E56 R57 G58 L59 Y61 Q79 A82F50-L54 HydrophobicContact CD1-CD1 3.78Å; F50-L54 HydrophobicContact CD2-CD1 4.48Å; F50-L54 HydrophobicContact CD2-CG 4.42Å; F50-L54 HydrophobicContact CE1-CD1 3.41Å; F50-L54 VanDerWaalsContact CE1-CD1 3.41Å; F50-L54 HydrophobicContact CE1-CG 4.24Å; F50-L54 HydrophobicContact CE2-CD1 4.17Å; F50-L54 HydrophobicContact CE2-CD2 4.3Å; F50-L54 HydrophobicContact CE2-CG 4.11Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 HydrophobicContact CZ-CD1 3.64Å; F50-L54 HydrophobicContact CZ-CD2 4.15Å; F50-L54 HydrophobicContact CZ-CG 4.03Å; F50-L54 WeakPolarHBondContact O-CG 3.43Å; F50-L54 PolarHBondContact O-N 2.92Å; Y51-L54 PolarHBondContact O-N 3.44Å; S52-L54 VanDerWaalsContact C-N 3.34Å; S52-L54 PolarHBondContact O-N 3.48Å; L54-E56 PolarHBondContact O-N 2.9Å; L54-R57 CarbonylContact O-C 3.47Å; L54-R57 PolarHBondContact O-N 3.4Å; L54-G58 PolarHBondContact O-N 2.97Å; L54-L59 HydrophobicContact CB-CB 4.26Å; L54-L59 HydrophobicContact CD2-CB 3.91Å; L54-L59 HydrophobicContact CD2-CD1 3.75Å; L54-L59 PolarHBondContact O-N 3.35Å; L54-Y61 HydrophobicContact CD1-CD2 4.17Å; L54-Q79 HydrophobicContact CD2-CG 4.42Å; L54-A82 HydrophobicContact CD2-CB 3.84Å; L54-A82 HydrophobicContact CG-CB 4.32Å
55T91.2Very high87.9Confident68 Ų6838 Ų3842%0.41722%0.215SC..Hα-helixtrans-65.2-40.4-177.5-54.50000111.6Y51 S52 R57 G58Y51-T55 WeakPolarHBondContact O-CB 3.25Å; Y51-T55 PolarHBondContact O-N 3.32Å; Y51-T55 PolarHBondContact O-OG1 3.31Å; S52-T55 PolarHBondContact O-N 3.16Å; T55-R57 PolarHBondContact O-N 3.5Å; T55-G58 PolarHBondContact O-N 2.86Å
56E91.5Very high86.5Confident120 Ų12042.3 Ų42.356%0.56125%0.245SC*.Hα-helixtrans-57-28.7172.9-78175-176.900113S52 F53 L54S52-E56 WeakPolarHBondContact O-CB 3.45Å; S52-E56 WeakPolarHBondContact O-CG 3.27Å; S52-E56 PolarHBondContact O-N 3.46Å; F53-E56 WeakPolarHBondContact CD1-OE2 3.46Å; L54-E56 PolarHBondContact O-N 2.9Å
57R90.1Very high84.9Confident53 Ų5346.3 Ų46.320%0.227%0.266CS..THydrogen-bonded Turntrans-97.45.8179-69.5169.1-17763.46.3113.2F53 L54 T55 L59 K78 D81F53-R57 PolarHBondContact O-NH1 3.4Å; L54-R57 CarbonylContact O-C 3.47Å; L54-R57 PolarHBondContact O-N 3.4Å; T55-R57 PolarHBondContact O-N 3.5Å; R57-L59 VanDerWaalsContact C-N 3.33Å; R57-K78 HydrophobicContact CB-CB 4.38Å; R57-K78 VanDerWaalsContact CD-O 3.22Å; R57-K78 WeakPolarHBondContact CD-O 3.49Å; R57-D81 IonicContact CZ-OD2 3.15Å; R57-D81 IonicContact NE-OD2 2.8Å; R57-D81 PolarHBondContact NE-OD2 3.44Å; R57-D81 IonicContact NH2-OD2 2.67Å; R57-D81 PolarHBondContact NH2-OD2 3.4Å
58G87Confident83.1Confident69 Ų6952.9 Ų52.971%0.71130%0.301SS*.THydrogen-bonded Turntrans72.221.5179.400000114.5L54 T55L54-G58 PolarHBondContact O-N 2.97Å; T55-G58 PolarHBondContact O-N 2.86Å
59L87.6Confident81.2Confident13 Ų1355.3 Ų55.37%0.06833%0.327CS..PPolyproline II helixtrans-95.9145.3180-67.5175.3000111.8L54 R57 I65 M75 K78 Q79L54-L59 HydrophobicContact CB-CB 4.26Å; L54-L59 HydrophobicContact CD2-CB 3.91Å; L54-L59 HydrophobicContact CD2-CD1 3.75Å; L54-L59 PolarHBondContact O-N 3.35Å; R57-L59 VanDerWaalsContact C-N 3.33Å; L59-I65 HydrophobicContact CD2-CD1 4.02Å; L59-M75 HydrophobicContact CD2-CB 4.35Å; L59-M75 HydrophobicContact CD2-CG 4.28Å; L59-K78 HydrophobicContact CD1-CB 3.9Å; L59-K78 HydrophobicContact CG-CB 4.48Å; L59-Q79 HydrophobicContact CD1-CB 3.89Å
60P86.2Confident79.4Confident67 Ų6762.9 Ų62.944%0.43537%0.365SS..PPolyproline II helixtrans-71.4145176.630.5-34.7000111.4
61Y86.5Confident78.1Confident37 Ų3767.7 Ų67.715%0.14539%0.392CS..SBendtrans-98.1133.2173.8174.8-98.9000111.3Q47 F50 Y51 L54 Y63 I223 F228 M334 S342Q47-Y61 PolarHBondContact OE1-OH 2.81Å; F50-Y61 HydrophobicContact CD1-CE2 4.36Å; Y51-Y61 AromaticContact CD2-CD1 3.93Å; Y51-Y61 HydrophobicContact CD2-CD1 3.93Å; Y51-Y61 AromaticContact CD2-CD2 3.97Å; Y51-Y61 HydrophobicContact CD2-CD2 3.97Å; Y51-Y61 AromaticContact CD2-CG 3.59Å; Y51-Y61 HydrophobicContact CD2-CG 3.59Å; Y51-Y61 HydrophobicContact CE2-CG 4.5Å; Y51-Y61 HydrophobicContact CG-CD2 4.38Å; Y51-Y61 HydrophobicContact CG-CG 4.42Å; L54-Y61 HydrophobicContact CD1-CD2 4.17Å; Y61-Y63 VanDerWaalsContact C-N 3.27Å; Y61-Y63 WeakPolarHBondContact O-CD2 3.26Å; Y61-Y63 PolarHBondContact O-N 3.03Å; Y61-I223 HydrophobicContact CE1-CG2 4.4Å; Y61-F228 HydrophobicContact CE1-CE2 4.28Å; Y61-F228 HydrophobicContact CE1-CZ 4.01Å; Y61-F228 HydrophobicContact CE2-CZ 4.43Å; Y61-F228 AromaticContact CZ-CZ 3.8Å; Y61-M334 HydrophobicContact CD2-CE 4.12Å; Y61-M334 HydrophobicContact CE2-CE 3.39Å; Y61-S342 PolarHBondContact OH-OG 3.16Å
62G77.1Confident77.2Confident18 Ų1867.2 Ų67.219%0.18640%0.396CS..SBendtrans79.7-1.217500000115.6
63Y75Confident76.7Confident162 Ų16270.8 Ų70.864%0.63542%0.417SS*.SBendtrans-120.7148.9176.7-63.4-83.1000110.8Y61Y61-Y63 VanDerWaalsContact C-N 3.27Å; Y61-Y63 WeakPolarHBondContact O-CD2 3.26Å; Y61-Y63 PolarHBondContact O-N 3.03Å
64G70.1Confident76.2Confident41 Ų4175.3 Ų75.342%0.42344%0.438SS..  trans-66147.9171.600000111.6S66G64-S66 PolarHBondContact O-N 2.73Å
65I68Low75.9Confident26 Ų2677.1 Ų77.113%0.13345%0.447CS..  trans-75.3122.7170.8-59.9175.5000107.5L59 I67 M75 W339L59-I65 HydrophobicContact CD2-CD1 4.02Å; I65-I67 WeakPolarHBondContact O-CG1 3.48Å; I65-I67 PolarHBondContact O-N 3Å; I65-M75 HydrophobicContact CD1-CB 4.19Å; I65-M75 HydrophobicContact CG2-CB 4.15Å; I65-M75 HydrophobicContact CG2-CE 3.45Å; I65-M75 VanDerWaalsContact CG2-CE 3.45Å; I65-M75 HydrophobicContact CG2-CG 4.42Å; I65-M75 HydrophobicContact CG2-SD 3.44Å; I65-M75 WeakPolarHBondContact CG2-SD 3.42Å; I65-W339 HydrophobicContact CB-CH2 3.79Å; I65-W339 HydrophobicContact CB-CZ2 4.39Å; I65-W339 HydrophobicContact CB-CZ3 4.38Å; I65-W339 HydrophobicContact CD1-CH2 3.74Å; I65-W339 HydrophobicContact CD1-CZ3 4.15Å; I65-W339 HydrophobicContact CG1-CH2 3.55Å; I65-W339 HydrophobicContact CG1-CZ3 3.8Å
66S63.1Low75.6Confident96 Ų9677.9 Ų77.967%0.67144%0.444SS*.  trans-64.8115.6172.649.10000109.2G64 D68G64-S66 PolarHBondContact O-N 2.73Å; S66-D68 PolarHBondContact O-N 3.45Å; S66-D68 VanDerWaalsContact O-N 3.17Å
67I59.5Low75.5Confident116 Ų11677.2 Ų77.260%0.59544%0.444SS*.  trans-86.283.5-173.3-50.8174.6000109.1I65I65-I67 WeakPolarHBondContact O-CG1 3.48Å; I65-I67 PolarHBondContact O-N 3Å
68D55.5Low75.5Confident138 Ų13878.5 Ų78.574%0.73845%0.451SS*.  trans-125.9117.3165.8-74.2-34.5000110.2S66S66-D68 PolarHBondContact O-N 3.45Å; S66-D68 VanDerWaalsContact O-N 3.17Å
69G55.4Low75.6Confident54 Ų5475.6 Ų75.656%0.55742%0.419SS*.SBendtrans82.4-172.816400000118.4N71 S72G69-N71 PolarHBondContact O-N 3.25Å; G69-N71 VanDerWaalsContact O-N 3.08Å; G69-S72 VanDerWaalsContact O-CB 3.23Å; G69-S72 WeakPolarHBondContact O-CB 3.26Å; G69-S72 PolarHBondContact O-N 2.94Å; G69-S72 PolarHBondContact O-OG 3.01Å
70I56.5Low75.7Confident158 Ų15877.1 Ų77.181%0.8143%0.426SS*.THydrogen-bonded Turntrans-53.5-28.6-177-65.2168.6000112.9S72 T73I70-S72 PolarHBondContact O-N 3.39Å; I70-S72 VanDerWaalsContact O-N 3.13Å; I70-T73 PolarHBondContact O-N 3.48Å
71N66.3Low76Confident106 Ų10677 Ų7757%0.56742%0.422SS*.Hα-helixtrans-60.8-19.7174.9-67.8-7.2000112.5G69 T73 M75G69-N71 PolarHBondContact O-N 3.25Å; G69-N71 VanDerWaalsContact O-N 3.08Å; N71-T73 PolarHBondContact O-N 3.23Å; N71-M75 HydrophobicContact CB-CE 4.01Å; N71-M75 VanDerWaalsContact O-CB 3.28Å; N71-M75 WeakPolarHBondContact O-CB 3.45Å; N71-M75 WeakPolarHBondContact O-CE 3.39Å; N71-M75 WeakPolarHBondContact O-CG 3.13Å; N71-M75 PolarHBondContact O-N 3.04Å
72S74.3Confident76.3Confident40 Ų4075.3 Ų75.328%0.2842%0.415SS..Hα-helixtrans-62.6-42.9-179.670.10000113G69 I70 M75 K76G69-S72 VanDerWaalsContact O-CB 3.23Å; G69-S72 WeakPolarHBondContact O-CB 3.26Å; G69-S72 PolarHBondContact O-N 2.94Å; G69-S72 PolarHBondContact O-OG 3.01Å; I70-S72 PolarHBondContact O-N 3.39Å; I70-S72 VanDerWaalsContact O-N 3.13Å; S72-M75 PolarHBondContact O-N 3.44Å; S72-K76 VanDerWaalsContact O-CB 3.26Å; S72-K76 WeakPolarHBondContact O-CB 3.39Å; S72-K76 PolarHBondContact O-N 3.45Å
73T82.5Confident77Confident89 Ų8974.9 Ų74.955%0.54641%0.408SS..Hα-helixtrans-69.9-41.6-176.7-50.30000110.6I70 N71 K76 L77I70-T73 PolarHBondContact O-N 3.48Å; N71-T73 PolarHBondContact O-N 3.23Å; T73-K76 PolarHBondContact O-N 3.43Å; T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.32Å
74E85.5Confident77.9Confident102 Ų10271.8 Ų71.848%0.47740%0.398SS..Hα-helixtrans-65.1-45.3175.7-168.3-169.3149.500111.5K76 L77 K78E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 3.01Å; E74-L77 PolarHBondContact O-N 3.24Å; E74-K78 HydrophobicContact CG-CD 4.44Å; E74-K78 WeakPolarHBondContact O-CG 3.32Å; E74-K78 PolarHBondContact O-N 3.07Å; E74-K78 VanDerWaalsContact OE1-CE 3.28Å; E74-K78 WeakPolarHBondContact OE1-CE 3.35Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 2.89Å
75M85.2Confident79Confident46 Ų4672.3 Ų72.323%0.22739%0.389CS..Hα-helixtrans-60.2-40.4175.8-75.3-171-65.900111.7L59 I65 N71 S72 K78 Q79L59-M75 HydrophobicContact CD2-CB 4.35Å; L59-M75 HydrophobicContact CD2-CG 4.28Å; I65-M75 HydrophobicContact CD1-CB 4.19Å; I65-M75 HydrophobicContact CG2-CB 4.15Å; I65-M75 HydrophobicContact CG2-CE 3.45Å; I65-M75 VanDerWaalsContact CG2-CE 3.45Å; I65-M75 HydrophobicContact CG2-CG 4.42Å; I65-M75 HydrophobicContact CG2-SD 3.44Å; I65-M75 WeakPolarHBondContact CG2-SD 3.42Å; N71-M75 HydrophobicContact CB-CE 4.01Å; N71-M75 VanDerWaalsContact O-CB 3.28Å; N71-M75 WeakPolarHBondContact O-CB 3.45Å; N71-M75 WeakPolarHBondContact O-CE 3.39Å; N71-M75 WeakPolarHBondContact O-CG 3.13Å; N71-M75 PolarHBondContact O-N 3.04Å; S72-M75 PolarHBondContact O-N 3.44Å; M75-K78 PolarHBondContact O-N 2.94Å; M75-Q79 WeakPolarHBondContact O-CB 3.48Å; M75-Q79 PolarHBondContact O-N 2.7Å
76K84.8Confident80.3Confident84 Ų8471 Ų7137%0.36538%0.383SS..Hα-helixtrans-63.8-43.7175.6-174.2170.7-173.1137.10112.3S72 T73 E74 Q79 Q80 E336S72-K76 VanDerWaalsContact O-CB 3.26Å; S72-K76 WeakPolarHBondContact O-CB 3.39Å; S72-K76 PolarHBondContact O-N 3.45Å; T73-K76 PolarHBondContact O-N 3.43Å; E74-K76 VanDerWaalsContact C-N 3.3Å; E74-K76 PolarHBondContact O-N 3.01Å; K76-Q79 PolarHBondContact O-N 3.27Å; K76-Q80 WeakPolarHBondContact O-CG 3.13Å; K76-Q80 PolarHBondContact O-N 3.18Å; K76-E336 WeakPolarHBondContact CD-OE2 3.38Å; K76-E336 VanDerWaalsContact CE-OE2 3.27Å; K76-E336 WeakPolarHBondContact CE-OE2 3.43Å; K76-E336 VanDerWaalsContact NZ-CD 3.27Å; K76-E336 IonicContact NZ-OE1 2.82Å; K76-E336 PolarHBondContact NZ-OE1 3.47Å; K76-E336 IonicContact NZ-OE2 3.21Å; K76-E336 PolarHBondContact NZ-OE2 3.05Å
77L88.6Confident81.7Confident106 Ų10666.5 Ų66.556%0.55535%0.351SS*.Hα-helixtrans-64-43.6176-72.4173000111.8T73 E74 Q79 Q80 D81T73-L77 WeakPolarHBondContact O-CG 3.49Å; T73-L77 PolarHBondContact O-N 3.32Å; E74-L77 PolarHBondContact O-N 3.24Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 3.2Å; L77-Q80 PolarHBondContact O-N 3.15Å; L77-D81 WeakPolarHBondContact O-CB 3.24Å; L77-D81 PolarHBondContact O-N 3.31Å
78K90.1Very high83.3Confident81 Ų8163.3 Ų63.335%0.35234%0.335SS..Hα-helixtrans-59.5-41.3174-77.9173.4168.7166.90111.6R57 L59 E74 M75 D81 A82R57-K78 HydrophobicContact CB-CB 4.38Å; R57-K78 VanDerWaalsContact CD-O 3.22Å; R57-K78 WeakPolarHBondContact CD-O 3.49Å; L59-K78 HydrophobicContact CD1-CB 3.9Å; L59-K78 HydrophobicContact CG-CB 4.48Å; E74-K78 HydrophobicContact CG-CD 4.44Å; E74-K78 WeakPolarHBondContact O-CG 3.32Å; E74-K78 PolarHBondContact O-N 3.07Å; E74-K78 VanDerWaalsContact OE1-CE 3.28Å; E74-K78 WeakPolarHBondContact OE1-CE 3.35Å; E74-K78 IonicContact OE1-NZ 2.67Å; E74-K78 PolarHBondContact OE1-NZ 2.89Å; M75-K78 PolarHBondContact O-N 2.94Å; K78-D81 PolarHBondContact O-N 3.43Å; K78-A82 PolarHBondContact O-N 3.3Å
79Q89Confident85.2Confident7 Ų756.7 Ų56.73%0.03330%0.3CS..Hα-helixtrans-67.5-43.8177.4-171.8-179.1-1.100111.8L54 L59 M75 K76 L77 D81 A82 Q83L54-Q79 HydrophobicContact CD2-CG 4.42Å; L59-Q79 HydrophobicContact CD1-CB 3.89Å; M75-Q79 WeakPolarHBondContact O-CB 3.48Å; M75-Q79 PolarHBondContact O-N 2.7Å; K76-Q79 PolarHBondContact O-N 3.27Å; L77-Q79 VanDerWaalsContact C-N 3.3Å; L77-Q79 PolarHBondContact O-N 3.2Å; Q79-D81 VanDerWaalsContact C-N 3.3Å; Q79-D81 PolarHBondContact O-N 3.3Å; Q79-A82 WeakPolarHBondContact O-CB 3.34Å; Q79-A82 PolarHBondContact O-N 3.15Å; Q79-Q83 VanDerWaalsContact O-CG 3.31Å; Q79-Q83 WeakPolarHBondContact O-CG 3.38Å; Q79-Q83 PolarHBondContact O-N 3.33Å
80Q90.7Very high86.9Confident45 Ų4554.1 Ų54.121%0.2127%0.273CS..Hα-helixtrans-60.8-40.4175.5-76.3-179.7-26.300111.7K76 L77 Q83 K84 L500K76-Q80 WeakPolarHBondContact O-CG 3.13Å; K76-Q80 PolarHBondContact O-N 3.18Å; L77-Q80 PolarHBondContact O-N 3.15Å; Q80-Q83 PolarHBondContact O-N 3.1Å; Q80-K84 WeakPolarHBondContact O-CB 3.46Å; Q80-K84 PolarHBondContact O-N 2.94Å; Q80-L500 HydrophobicContact CB-CD2 4.47Å; Q80-L500 WeakPolarHBondContact O-CD2 3.4Å
81D92.2Very high88.6Confident66 Ų6647 Ų4735%0.35324%0.237SC..Hα-helixtrans-66.4-40.4175.8-173.952.6000112.1R57 L77 K78 Q79 Q83 K84 Q85R57-D81 IonicContact CZ-OD2 3.15Å; R57-D81 IonicContact NE-OD2 2.8Å; R57-D81 PolarHBondContact NE-OD2 3.44Å; R57-D81 IonicContact NH2-OD2 2.67Å; R57-D81 PolarHBondContact NH2-OD2 3.4Å; L77-D81 WeakPolarHBondContact O-CB 3.24Å; L77-D81 PolarHBondContact O-N 3.31Å; K78-D81 PolarHBondContact O-N 3.43Å; Q79-D81 VanDerWaalsContact C-N 3.3Å; Q79-D81 PolarHBondContact O-N 3.3Å; D81-Q83 PolarHBondContact O-N 3.48Å; D81-K84 WeakPolarHBondContact O-CB 3.28Å; D81-K84 PolarHBondContact O-N 3.28Å; D81-Q85 WeakPolarHBondContact O-CG 3.42Å; D81-Q85 PolarHBondContact O-N 2.9Å
82A92.7Very high89.9Confident0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-59.1-45.1173.100000112.1F53 L54 K78 Q79 K84 Q85 T86F53-A82 HydrophobicContact CB-CB 4.11Å; L54-A82 HydrophobicContact CD2-CB 3.84Å; L54-A82 HydrophobicContact CG-CB 4.32Å; K78-A82 PolarHBondContact O-N 3.3Å; Q79-A82 WeakPolarHBondContact O-CB 3.34Å; Q79-A82 PolarHBondContact O-N 3.15Å; A82-K84 VanDerWaalsContact C-N 3.35Å; A82-Q85 PolarHBondContact O-N 2.92Å; A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.5Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.46Å
83Q92.3Very high90.8Very high10 Ų1042.7 Ų42.75%0.04721%0.213CC..Hα-helixtrans-62.7-41.7175.8-69.4177.85600112F50 Q79 Q80 D81 T86 S87 V331 S335 Y496 L500F50-Q83 HydrophobicContact CE2-CG 3.8Å; F50-Q83 HydrophobicContact CZ-CG 4.32Å; Q79-Q83 VanDerWaalsContact O-CG 3.31Å; Q79-Q83 WeakPolarHBondContact O-CG 3.38Å; Q79-Q83 PolarHBondContact O-N 3.33Å; Q80-Q83 PolarHBondContact O-N 3.1Å; D81-Q83 PolarHBondContact O-N 3.48Å; Q83-T86 PolarHBondContact O-N 3.43Å; Q83-S87 WeakPolarHBondContact O-CB 3.45Å; Q83-S87 PolarHBondContact O-N 3.27Å; Q83-S87 PolarHBondContact O-OG 3.24Å; Q83-V331 HydrophobicContact CB-CG1 3.67Å; Q83-V331 HydrophobicContact CG-CG1 3.56Å; Q83-S335 VanDerWaalsContact CD-CB 3.49Å; Q83-S335 VanDerWaalsContact CG-OG 3.3Å; Q83-S335 WeakPolarHBondContact CG-OG 3.45Å; Q83-S335 VanDerWaalsContact NE2-CB 3.28Å; Q83-S335 PolarHBondContact NE2-OG 3.35Å; Q83-S335 VanDerWaalsContact NE2-OG 3.08Å; Q83-S335 PolarHBondContact OE1-OG 3.01Å; Q83-Y496 HydrophobicContact CB-CE1 4.46Å; Q83-Y496 PolarHBondContact OE1-OH 3.06Å; Q83-L500 HydrophobicContact CB-CD2 3.46Å; Q83-L500 VanDerWaalsContact CB-CD2 3.46Å; Q83-L500 HydrophobicContact CG-CD2 4.39Å
84K93.7Very high91.1Very high97 Ų9739.9 Ų39.942%0.42220%0.195SC..Hα-helixtrans-60.1-49.8177.5-170.2-175.9179.8-1790110.9Q80 D81 A82 S87 L88 S497Q80-K84 WeakPolarHBondContact O-CB 3.46Å; Q80-K84 PolarHBondContact O-N 2.94Å; D81-K84 WeakPolarHBondContact O-CB 3.28Å; D81-K84 PolarHBondContact O-N 3.28Å; A82-K84 VanDerWaalsContact C-N 3.35Å; K84-S87 PolarHBondContact O-N 2.97Å; K84-S87 PolarHBondContact O-OG 2.95Å; K84-L88 WeakPolarHBondContact O-CG 3.43Å; K84-L88 PolarHBondContact O-N 2.87Å; K84-L88 VanDerWaalsContact O-N 3.16Å; K84-S497 WeakPolarHBondContact CG-OG 3.25Å; K84-S497 PolarHBondContact O-OG 3.44Å; K84-S497 VanDerWaalsContact O-OG 3.08Å
85Q94Very high91.4Very high51 Ų5140.5 Ų40.524%0.23820%0.196CC..Hα-helixtrans-65.6-40.3177.8-65.8-59.8-26.800112.3F53 D81 A82 S87 L88 V89F53-Q85 HydrophobicContact CD1-CB 3.91Å; F53-Q85 HydrophobicContact CD2-CB 4.02Å; F53-Q85 HydrophobicContact CE1-CB 3.8Å; F53-Q85 HydrophobicContact CE1-CG 4.44Å; F53-Q85 HydrophobicContact CE2-CB 3.9Å; F53-Q85 HydrophobicContact CG-CB 4.02Å; F53-Q85 HydrophobicContact CZ-CB 3.79Å; D81-Q85 WeakPolarHBondContact O-CG 3.42Å; D81-Q85 PolarHBondContact O-N 2.9Å; A82-Q85 PolarHBondContact O-N 2.92Å; Q85-S87 PolarHBondContact O-N 3.38Å; Q85-L88 PolarHBondContact O-N 3.2Å; Q85-V89 PolarHBondContact O-N 3.48Å
86T94.3Very high91.7Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-59.3-47177.4-59.50000111.5T49 F50 F53 A82 Q83 L88 V89 Q90 V331T49-T86 HydrophobicContact CG2-CG2 3.83Å; F50-T86 HydrophobicContact CB-CG2 3.85Å; F50-T86 HydrophobicContact CD2-CG2 4.08Å; F50-T86 WeakPolarHBondContact CD2-OG1 3.33Å; F50-T86 HydrophobicContact CG-CG2 4.41Å; F53-T86 WeakPolarHBondContact CD2-OG1 3.28Å; A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.5Å; A82-T86 PolarHBondContact O-N 3.32Å; A82-T86 PolarHBondContact O-OG1 3.46Å; Q83-T86 PolarHBondContact O-N 3.43Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.38Å; T86-V89 PolarHBondContact O-N 3.04Å; T86-Q90 HydrophobicContact CG2-CG 4.34Å; T86-Q90 WeakPolarHBondContact O-CB 3.31Å; T86-Q90 VanDerWaalsContact O-CG 3.25Å; T86-Q90 WeakPolarHBondContact O-CG 3.33Å; T86-Q90 PolarHBondContact O-N 2.92Å; T86-V331 HydrophobicContact CG2-CG2 3.5Å
87S92.5Very high92Very high0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-66.7-32178.855.90000113.4Q83 K84 Q85 S91 P493 S497Q83-S87 WeakPolarHBondContact O-CB 3.45Å; Q83-S87 PolarHBondContact O-N 3.27Å; Q83-S87 PolarHBondContact O-OG 3.24Å; K84-S87 PolarHBondContact O-N 2.97Å; K84-S87 PolarHBondContact O-OG 2.95Å; Q85-S87 PolarHBondContact O-N 3.38Å; S87-S91 WeakPolarHBondContact O-CB 3.45Å; S87-S91 PolarHBondContact O-N 3.37Å; S87-P493 WeakPolarHBondContact CB-O 3.37Å; S87-P493 WeakPolarHBondContact O-CB 3.32Å; S87-S497 WeakPolarHBondContact OG-CB 3.39Å; S87-S497 PolarHBondContact OG-OG 3.09Å
88L93.8Very high92Very high49 Ų4931.2 Ų31.226%0.25716%0.156SC..Hα-helixtrans-65.3-47.4171.6-69.1176.8000111.6K84 Q85 T86 S91 T92 L494 S497K84-L88 WeakPolarHBondContact O-CG 3.43Å; K84-L88 PolarHBondContact O-N 2.87Å; K84-L88 VanDerWaalsContact O-N 3.16Å; Q85-L88 PolarHBondContact O-N 3.2Å; T86-L88 VanDerWaalsContact C-N 3.34Å; T86-L88 PolarHBondContact O-N 3.38Å; L88-S91 WeakPolarHBondContact O-CB 3.35Å; L88-S91 PolarHBondContact O-N 2.94Å; L88-T92 WeakPolarHBondContact O-CB 3.31Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.43Å; L88-L494 HydrophobicContact CD2-CD2 3.57Å; L88-S497 WeakPolarHBondContact CG-OG 3.46Å
89V94.3Very high91.9Very high0 Ų028.5 Ų28.50%015%0.149CC..Hα-helixtrans-63.9-44.6177.7172.90000110.6T49 F53 Q85 T86 S91 T92 N93 P145 W146T49-V89 HydrophobicContact CG2-CB 3.78Å; T49-V89 HydrophobicContact CG2-CG1 3.68Å; F53-V89 HydrophobicContact CE2-CB 4.27Å; F53-V89 HydrophobicContact CE2-CG2 3.66Å; F53-V89 HydrophobicContact CZ-CG2 3.71Å; Q85-V89 PolarHBondContact O-N 3.48Å; T86-V89 PolarHBondContact O-N 3.04Å; V89-S91 PolarHBondContact O-N 3.46Å; V89-T92 PolarHBondContact O-N 2.99Å; V89-T92 VanDerWaalsContact O-N 3.14Å; V89-N93 VanDerWaalsContact O-CB 3.29Å; V89-N93 WeakPolarHBondContact O-CB 3.29Å; V89-N93 VanDerWaalsContact O-CG 3.25Å; V89-N93 PolarHBondContact O-N 3.41Å; V89-P145 HydrophobicContact CG1-CB 4.33Å; V89-W146 HydrophobicContact CG2-CD2 3.81Å; V89-W146 HydrophobicContact CG2-CE3 4.04Å; V89-W146 HydrophobicContact CG2-CG 4.46Å; V89-W146 HydrophobicContact CG2-CH2 3.85Å; V89-W146 HydrophobicContact CG2-CZ2 3.6Å; V89-W146 HydrophobicContact CG2-CZ3 4.06Å
90Q92Very high92Very high0 Ų029.6 Ų29.60%016%0.156CC..Hα-helixtrans-59.2-44.9175.7-75.5171.4-15.700112.6T86 T92 N93 N94 P327T86-Q90 HydrophobicContact CG2-CG 4.34Å; T86-Q90 WeakPolarHBondContact O-CB 3.31Å; T86-Q90 VanDerWaalsContact O-CG 3.25Å; T86-Q90 WeakPolarHBondContact O-CG 3.33Å; T86-Q90 PolarHBondContact O-N 2.92Å; Q90-T92 VanDerWaalsContact C-N 3.3Å; Q90-T92 PolarHBondContact O-N 3.21Å; Q90-N93 PolarHBondContact O-N 3.03Å; Q90-N94 WeakPolarHBondContact O-CB 3.49Å; Q90-N94 VanDerWaalsContact O-CG 3.3Å; Q90-N94 PolarHBondContact O-N 3.42Å; Q90-N94 PolarHBondContact O-ND2 2.85Å; Q90-P327 HydrophobicContact CB-CB 4.37Å; Q90-P327 HydrophobicContact CB-CG 3.85Å; Q90-P327 HydrophobicContact CG-CB 4.04Å; Q90-P327 HydrophobicContact CG-CG 4.07Å; Q90-P327 PolarHBondContact OE1-O 2.88Å
91S92.4Very high91.9Very high8 Ų827.6 Ų27.66%0.05615%0.147CC..Hα-helixtrans-55.8-48.1173.21630000111.2S87 L88 V89 N94 F95 S490 L494S87-S91 WeakPolarHBondContact O-CB 3.45Å; S87-S91 PolarHBondContact O-N 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.35Å; L88-S91 PolarHBondContact O-N 2.94Å; V89-S91 PolarHBondContact O-N 3.46Å; S91-N94 PolarHBondContact O-N 3.24Å; S91-F95 WeakPolarHBondContact O-CB 3.41Å; S91-F95 PolarHBondContact O-N 3.44Å; S91-S490 WeakPolarHBondContact CB-O 3.5Å; S91-S490 PolarHBondContact OG-O 3.45Å; S91-L494 WeakPolarHBondContact OG-CD2 3.48Å; S91-L494 VanDerWaalsContact OG-CG 3.29Å; S91-L494 WeakPolarHBondContact OG-CG 3.38Å
92T94.4Very high91.6Very high51 Ų5126.3 Ų26.331%0.31314%0.14SC..Hα-helixtrans-67.3-44.3-176.2-52.40000110.9L88 V89 Q90 N94 F95 A96 W146 V149L88-T92 WeakPolarHBondContact O-CB 3.31Å; L88-T92 PolarHBondContact O-N 2.94Å; L88-T92 PolarHBondContact O-OG1 3.43Å; V89-T92 PolarHBondContact O-N 2.99Å; V89-T92 VanDerWaalsContact O-N 3.14Å; Q90-T92 VanDerWaalsContact C-N 3.3Å; Q90-T92 PolarHBondContact O-N 3.21Å; T92-N94 PolarHBondContact O-N 2.98Å; T92-F95 PolarHBondContact O-N 3.38Å; T92-A96 WeakPolarHBondContact O-CB 3.31Å; T92-A96 PolarHBondContact O-N 3.46Å; T92-W146 HydrophobicContact CG2-CZ3 4.31Å; T92-V149 HydrophobicContact CG2-CG1 3.98Å; T92-V149 HydrophobicContact CG2-CG2 3.94Å
93N91.6Very high91.3Very high4 Ų431.6 Ų31.62%0.02117%0.167CC..Hα-helixtrans-57.2-47.5174.9-80.3-4.2000112V89 Q90 A96 A97 V149 N152V89-N93 VanDerWaalsContact O-CB 3.29Å; V89-N93 WeakPolarHBondContact O-CB 3.29Å; V89-N93 VanDerWaalsContact O-CG 3.25Å; V89-N93 PolarHBondContact O-N 3.41Å; Q90-N93 PolarHBondContact O-N 3.03Å; N93-A96 PolarHBondContact O-N 3.02Å; N93-A97 PolarHBondContact O-N 3.04Å; N93-V149 WeakPolarHBondContact OD1-CA 3.02Å; N93-V149 WeakPolarHBondContact OD1-CG2 3.45Å; N93-V149 PolarHBondContact OD1-N 3.47Å; N93-N152 PolarHBondContact O-ND2 3.39Å
94N90.1Very high91.2Very high31 Ų3131.4 Ų31.417%0.16617%0.167CC..Hα-helixtrans-69.8-38.9-179.4-75-28.4000112.2Q90 S91 T92 A96 A97 V98 P327 V489Q90-N94 WeakPolarHBondContact O-CB 3.49Å; Q90-N94 VanDerWaalsContact O-CG 3.3Å; Q90-N94 PolarHBondContact O-N 3.42Å; Q90-N94 PolarHBondContact O-ND2 2.85Å; S91-N94 PolarHBondContact O-N 3.24Å; T92-N94 PolarHBondContact O-N 2.98Å; N94-A96 VanDerWaalsContact C-N 3.34Å; N94-A97 PolarHBondContact O-N 3.36Å; N94-V98 WeakPolarHBondContact O-CB 3.31Å; N94-V98 WeakPolarHBondContact O-CG2 3.31Å; N94-V98 PolarHBondContact O-N 3.34Å; N94-P327 WeakPolarHBondContact ND2-CG 3.16Å; N94-V489 HydrophobicContact CB-CB 3.77Å; N94-V489 HydrophobicContact CB-CG2 3.71Å; N94-V489 WeakPolarHBondContact CB-O 3.41Å; N94-V489 PolarHBondContact ND2-O 3.44Å
95F91.7Very high90.9Very high114 Ų11428.4 Ų28.450%0.516%0.157SC..Hα-helixtrans-62.3-44.9173.9-174.6-97.9000111.1S91 T92 A97 V98 A99 L486 S490S91-F95 WeakPolarHBondContact O-CB 3.41Å; S91-F95 PolarHBondContact O-N 3.44Å; T92-F95 PolarHBondContact O-N 3.38Å; F95-A97 VanDerWaalsContact C-N 3.3Å; F95-A97 PolarHBondContact O-N 3.28Å; F95-V98 PolarHBondContact O-N 3.02Å; F95-A99 HydrophobicContact CD2-CB 4.39Å; F95-A99 HydrophobicContact CE1-CB 4.26Å; F95-A99 HydrophobicContact CE2-CB 4.08Å; F95-A99 HydrophobicContact CZ-CB 4.01Å; F95-A99 WeakPolarHBondContact O-CB 3.35Å; F95-A99 PolarHBondContact O-N 3.22Å; F95-L486 HydrophobicContact CD2-CD1 4.09Å; F95-S490 WeakPolarHBondContact CA-OG 3.48Å; F95-S490 WeakPolarHBondContact CB-OG 3.21Å; F95-S490 PolarHBondContact N-OG 3.39Å
96A91.5Very high90.6Very high9 Ų931.8 Ų31.87%0.07418%0.176CC..Hα-helixtrans-61.6-32.6177.400000113.6T92 N93 N94 P100 V149 V153T92-A96 WeakPolarHBondContact O-CB 3.31Å; T92-A96 PolarHBondContact O-N 3.46Å; N93-A96 PolarHBondContact O-N 3.02Å; N94-A96 VanDerWaalsContact C-N 3.34Å; A96-P100 WeakPolarHBondContact O-CD 3.44Å; A96-P100 VanDerWaalsContact O-CG 3.23Å; A96-P100 WeakPolarHBondContact O-CG 3.16Å; A96-V149 HydrophobicContact CB-CG1 3.9Å; A96-V153 HydrophobicContact CB-CG2 3.64Å
97A89.9Confident90.3Very high14 Ų1436.2 Ų36.212%0.11620%0.199CC..Hα-helixtrans-77-54173.400000112N93 N94 F95 G101 N152 G156N93-A97 PolarHBondContact O-N 3.04Å; N94-A97 PolarHBondContact O-N 3.36Å; F95-A97 VanDerWaalsContact C-N 3.3Å; F95-A97 PolarHBondContact O-N 3.28Å; A97-G101 WeakPolarHBondContact O-CA 3.21Å; A97-G101 PolarHBondContact O-N 3.45Å; A97-N152 HydrophobicContact CB-CB 4.13Å; A97-G156 WeakPolarHBondContact O-CA 3.43Å
98V89.1Confident90.1Very high19 Ų1936.4 Ų36.412%0.11520%0.2CC..Hα-helixtrans-77.6-40.7-166.4-179.70000112.5N94 F95 G101 L102 L485 L486 V489N94-V98 WeakPolarHBondContact O-CB 3.31Å; N94-V98 WeakPolarHBondContact O-CG2 3.31Å; N94-V98 PolarHBondContact O-N 3.34Å; F95-V98 PolarHBondContact O-N 3.02Å; V98-G101 CarbonylContact O-C 3.27Å; V98-G101 PolarHBondContact O-N 3.47Å; V98-L102 HydrophobicContact CG1-CD1 4.49Å; V98-L102 HydrophobicContact CG1-CG 4.44Å; V98-L102 WeakPolarHBondContact O-CG 3.31Å; V98-L102 PolarHBondContact O-N 3.46Å; V98-L485 HydrophobicContact CG1-CD2 4.28Å; V98-L485 HydrophobicContact CG2-CD2 4.1Å; V98-L486 HydrophobicContact CB-CD1 3.66Å; V98-L486 HydrophobicContact CG1-CB 3.86Å; V98-L486 HydrophobicContact CG1-CD1 3.62Å; V98-L486 HydrophobicContact CG1-CG 4.26Å; V98-V489 HydrophobicContact CG2-CG2 4.05Å
99A88.9Confident89.8Confident24 Ų2435.1 Ų35.120%0.19820%0.198CC..Hα-helixtrans-66.7-49.2-174.800000112.7F95 G101 L102 L486F95-A99 HydrophobicContact CD2-CB 4.39Å; F95-A99 HydrophobicContact CE1-CB 4.26Å; F95-A99 HydrophobicContact CE2-CB 4.08Å; F95-A99 HydrophobicContact CZ-CB 4.01Å; F95-A99 WeakPolarHBondContact O-CB 3.35Å; F95-A99 PolarHBondContact O-N 3.22Å; A99-G101 VanDerWaalsContact C-N 3.3Å; A99-L102 PolarHBondContact O-N 3.36Å; A99-L486 HydrophobicContact CB-CD1 4.35Å
100P89.7Confident89.4Confident30 Ų3040.8 Ų40.820%0.19522%0.221CC..Hα-helixtrans-65.3-35.4169.5-19.634.6000112.1A96 L102 I103 S104 G156 L157A96-P100 WeakPolarHBondContact O-CD 3.44Å; A96-P100 VanDerWaalsContact O-CG 3.23Å; A96-P100 WeakPolarHBondContact O-CG 3.16Å; P100-L102 VanDerWaalsContact C-N 3.28Å; P100-L102 PolarHBondContact O-N 3Å; P100-I103 WeakPolarHBondContact O-CB 3.2Å; P100-I103 PolarHBondContact O-N 3.21Å; P100-S104 PolarHBondContact O-N 3.45Å; P100-S104 PolarHBondContact O-OG 2.99Å; P100-G156 CarbonylContact C-O 3.33Å; P100-G156 VanDerWaalsContact C-O 3.27Å; P100-L157 HydrophobicContact CB-CD2 3.95Å; P100-L157 HydrophobicContact CB-CG 4.24Å
101G89.1Confident89.2Confident2 Ų242.3 Ų42.32%0.02123%0.229CC..Hα-helixtrans-54.9-38.9175.900000113.9A97 V98 A99 I103 S104 T105 G156A97-G101 WeakPolarHBondContact O-CA 3.21Å; A97-G101 PolarHBondContact O-N 3.45Å; V98-G101 CarbonylContact O-C 3.27Å; V98-G101 PolarHBondContact O-N 3.47Å; A99-G101 VanDerWaalsContact C-N 3.3Å; G101-I103 VanDerWaalsContact C-N 3.26Å; G101-I103 PolarHBondContact O-N 3.44Å; G101-S104 WeakPolarHBondContact CA-OG 3.32Å; G101-S104 PolarHBondContact O-N 3.03Å; G101-S104 PolarHBondContact O-OG 3.29Å; G101-S104 VanDerWaalsContact O-OG 3.13Å; G101-T105 VanDerWaalsContact O-CB 3.28Å; G101-T105 WeakPolarHBondContact O-CB 3.34Å; G101-T105 WeakPolarHBondContact O-CG2 3.23Å; G101-T105 PolarHBondContact O-N 3.46Å; G101-T105 PolarHBondContact O-OG1 2.95Å; G101-G156 VanDerWaalsContact CA-O 3.3Å; G101-G156 WeakPolarHBondContact CA-O 3.33Å; G101-G156 PolarHBondContact N-O 2.94Å
102L85.3Confident89.1Confident40 Ų4042 Ų4221%0.20923%0.226CC..Hα-helixtrans-64-30.5175.6-73.3171.6000113V98 A99 P100 T105 R482 L486V98-L102 HydrophobicContact CG1-CD1 4.49Å; V98-L102 HydrophobicContact CG1-CG 4.44Å; V98-L102 WeakPolarHBondContact O-CG 3.31Å; V98-L102 PolarHBondContact O-N 3.46Å; A99-L102 PolarHBondContact O-N 3.36Å; P100-L102 VanDerWaalsContact C-N 3.28Å; P100-L102 PolarHBondContact O-N 3Å; L102-T105 WeakPolarHBondContact CA-OG1 3.44Å; L102-T105 PolarHBondContact O-OG1 3.49Å; L102-R482 HydrophobicContact CD2-CB 4.02Å; L102-L486 HydrophobicContact CD1-CD2 4.16Å
103I87.4Confident88.7Confident110 Ų11043.4 Ų43.456%0.56423%0.232SC*.Hα-helixtrans-81.8-47.3177.9-59.1172.4000109.5P100 G101 T105 L106 I107P100-I103 WeakPolarHBondContact O-CB 3.2Å; P100-I103 PolarHBondContact O-N 3.21Å; G101-I103 VanDerWaalsContact C-N 3.26Å; G101-I103 PolarHBondContact O-N 3.44Å; I103-T105 PolarHBondContact O-N 2.96Å; I103-L106 WeakPolarHBondContact O-CB 3.49Å; I103-L106 PolarHBondContact O-N 3.3Å; I103-I107 HydrophobicContact CG2-CD1 4.14Å; I103-I107 WeakPolarHBondContact O-CG1 3.31Å; I103-I107 PolarHBondContact O-N 3.03Å
104S89.1Confident88.3Confident7 Ų749.9 Ų49.95%0.04926%0.256CS..Hα-helixtrans-65.2-36.8-179.164.90000112.2P100 G101 L106 I107 V108 G156 L157 G160P100-S104 PolarHBondContact O-N 3.45Å; P100-S104 PolarHBondContact O-OG 2.99Å; G101-S104 WeakPolarHBondContact CA-OG 3.32Å; G101-S104 PolarHBondContact O-N 3.03Å; G101-S104 PolarHBondContact O-OG 3.29Å; G101-S104 VanDerWaalsContact O-OG 3.13Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.43Å; S104-I107 CarbonylContact O-C 3.6Å; S104-I107 PolarHBondContact O-N 3.06Å; S104-I107 VanDerWaalsContact O-N 3.09Å; S104-V108 WeakPolarHBondContact O-CB 3.23Å; S104-V108 VanDerWaalsContact O-CG2 3.28Å; S104-V108 WeakPolarHBondContact O-CG2 3.45Å; S104-V108 PolarHBondContact O-N 3.49Å; S104-G156 WeakPolarHBondContact CB-O 3.28Å; S104-G156 PolarHBondContact OG-O 3.4Å; S104-L157 WeakPolarHBondContact CB-O 3.42Å; S104-G160 WeakPolarHBondContact OG-CA 3.42Å; S104-G160 PolarHBondContact OG-N 3.45Å
105T88Confident88.1Confident33 Ų3354.1 Ų54.120%0.20227%0.273CS..Hα-helixtrans-56.3-39.4173.749.40000112.7G101 L102 I103 G109 L163G101-T105 VanDerWaalsContact O-CB 3.28Å; G101-T105 WeakPolarHBondContact O-CB 3.34Å; G101-T105 WeakPolarHBondContact O-CG2 3.23Å; G101-T105 PolarHBondContact O-N 3.46Å; G101-T105 PolarHBondContact O-OG1 2.95Å; L102-T105 WeakPolarHBondContact CA-OG1 3.44Å; L102-T105 PolarHBondContact O-OG1 3.49Å; I103-T105 PolarHBondContact O-N 2.96Å; T105-G109 PolarHBondContact O-N 3.16Å; T105-L163 HydrophobicContact CG2-CB 4.39Å
106L86.8Confident87.9Confident122 Ų12249 Ų4964%0.63925%0.252SS*.Hα-helixtrans-67.9-41.5175.7-66.7173.4000111.6I103 S104 G109 Y110I103-L106 WeakPolarHBondContact O-CB 3.49Å; I103-L106 PolarHBondContact O-N 3.3Å; S104-L106 VanDerWaalsContact C-N 3.28Å; S104-L106 PolarHBondContact O-N 3.43Å; L106-G109 PolarHBondContact O-N 2.89Å; L106-Y110 PolarHBondContact O-N 3.47Å
107I88.6Confident87.8Confident93 Ų9349.3 Ų49.348%0.47725%0.251SS..Hα-helixtrans-64.9-46.7177.2-63.2169.3000110.3I103 S104 G109 Y110 I111I103-I107 HydrophobicContact CG2-CD1 4.14Å; I103-I107 WeakPolarHBondContact O-CG1 3.31Å; I103-I107 PolarHBondContact O-N 3.03Å; S104-I107 CarbonylContact O-C 3.6Å; S104-I107 PolarHBondContact O-N 3.06Å; S104-I107 VanDerWaalsContact O-N 3.09Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.26Å; I107-Y110 WeakPolarHBondContact O-CB 3.43Å; I107-Y110 PolarHBondContact O-N 3.48Å; I107-I111 HydrophobicContact CG2-CD1 3.81Å; I107-I111 HydrophobicContact CG2-CG1 4.41Å; I107-I111 VanDerWaalsContact O-CG1 3.31Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.83Å
108V88.9Confident88Confident4 Ų452 Ų522%0.02426%0.26CS..Hα-helixtrans-62.5-38.8176.8174.50000110.5S104 I111 S112 A120 I123 Q168S104-V108 WeakPolarHBondContact O-CB 3.23Å; S104-V108 VanDerWaalsContact O-CG2 3.28Å; S104-V108 WeakPolarHBondContact O-CG2 3.45Å; S104-V108 PolarHBondContact O-N 3.49Å; V108-I111 PolarHBondContact O-N 3Å; V108-S112 WeakPolarHBondContact O-CB 3.32Å; V108-S112 PolarHBondContact O-N 3.47Å; V108-A120 HydrophobicContact CG1-CB 4.01Å; V108-I123 HydrophobicContact CG2-CG2 4.35Å; V108-Q168 HydrophobicContact CG1-CG 4.17Å
109G86.6Confident88.1Confident22 Ų2255.2 Ų55.223%0.22728%0.276CS..Hα-helixtrans-59.1-47.7171.600000112.7T105 L106 I107 I111 S112 D113T105-G109 PolarHBondContact O-N 3.16Å; L106-G109 PolarHBondContact O-N 2.89Å; I107-G109 VanDerWaalsContact C-N 3.3Å; I107-G109 PolarHBondContact O-N 3.26Å; G109-I111 PolarHBondContact O-N 3Å; G109-S112 WeakPolarHBondContact O-CB 3.33Å; G109-S112 PolarHBondContact O-N 3.14Å; G109-D113 PolarHBondContact O-N 2.77Å
110Y86.1Confident88.3Confident120 Ų12054 Ų5447%0.47127%0.267SS..Hα-helixtrans-61.5-43.7175.6176.8-97000112.5L106 I107 S112 D113 R114L106-Y110 PolarHBondContact O-N 3.47Å; I107-Y110 WeakPolarHBondContact O-CB 3.43Å; I107-Y110 PolarHBondContact O-N 3.48Å; Y110-S112 VanDerWaalsContact C-N 3.33Å; Y110-D113 PolarHBondContact O-N 3.21Å; Y110-R114 WeakPolarHBondContact O-CB 3.35Å; Y110-R114 PolarHBondContact O-N 2.89Å; Y110-R114 WeakPolarHBondContact OH-CD 3.25Å; Y110-R114 PolarHBondContact OH-NH1 3.03Å
111I87.8Confident88.5Confident32 Ų3252.6 Ų52.616%0.16426%0.257CS..Hα-helixtrans-63-42.8176.6-69.1169.1000110.4I107 V108 G109 D113 R114 F115 I119 I123I107-I111 HydrophobicContact CG2-CD1 3.81Å; I107-I111 HydrophobicContact CG2-CG1 4.41Å; I107-I111 VanDerWaalsContact O-CG1 3.31Å; I107-I111 WeakPolarHBondContact O-CG1 3.29Å; I107-I111 PolarHBondContact O-N 2.83Å; V108-I111 PolarHBondContact O-N 3Å; G109-I111 PolarHBondContact O-N 3Å; I111-D113 VanDerWaalsContact C-N 3.3Å; I111-D113 PolarHBondContact O-N 3.42Å; I111-R114 PolarHBondContact O-N 3.42Å; I111-F115 HydrophobicContact CB-CD2 4.37Å; I111-F115 HydrophobicContact CG1-CD2 4.39Å; I111-F115 HydrophobicContact CG2-CB 4.21Å; I111-F115 HydrophobicContact CG2-CD2 4.02Å; I111-F115 WeakPolarHBondContact O-CA 3.39Å; I111-F115 WeakPolarHBondContact O-CB 3.37Å; I111-F115 PolarHBondContact O-N 3.14Å; I111-I119 HydrophobicContact CG2-CG2 4.17Å; I111-I123 HydrophobicContact CD1-CD1 3.94Å; I111-I123 HydrophobicContact CG2-CD1 3.99Å
112S90.8Very high88.7Confident0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-58.3-43.1178.3-171.40000112V108 G109 Y110 G116 R117 A120 Q168V108-S112 WeakPolarHBondContact O-CB 3.32Å; V108-S112 PolarHBondContact O-N 3.47Å; G109-S112 WeakPolarHBondContact O-CB 3.33Å; G109-S112 PolarHBondContact O-N 3.14Å; Y110-S112 VanDerWaalsContact C-N 3.33Å; S112-G116 CarbonylContact O-C 3.49Å; S112-G116 WeakPolarHBondContact O-CA 3.44Å; S112-G116 PolarHBondContact O-N 3.37Å; S112-R117 PolarHBondContact O-NH1 3.37Å; S112-R117 WeakPolarHBondContact OG-CD 3.43Å; S112-R117 PolarHBondContact OG-NH1 2.7Å; S112-A120 VanDerWaalsContact CB-CB 3.44Å; S112-Q168 PolarHBondContact OG-OE1 3.46Å
113D84.7Confident89.2Confident82 Ų8254.4 Ų54.444%0.43927%0.272SS..Hα-helixtrans-69.8-41.7177.5-72.7-20.4000111.5G109 Y110 I111 R117 N253 N256G109-D113 PolarHBondContact O-N 2.77Å; Y110-D113 PolarHBondContact O-N 3.21Å; I111-D113 VanDerWaalsContact C-N 3.3Å; I111-D113 PolarHBondContact O-N 3.42Å; D113-R117 IonicContact OD1-CZ 2.97Å; D113-R117 IonicContact OD1-NH1 2.77Å; D113-R117 PolarHBondContact OD1-NH1 3.41Å; D113-R117 IonicContact OD1-NH2 2.73Å; D113-R117 PolarHBondContact OD1-NH2 2.98Å; D113-N253 PolarHBondContact O-ND2 3.05Å; D113-N253 VanDerWaalsContact O-ND2 3.08Å; D113-N256 PolarHBondContact O-ND2 2.77Å
114R84.1Confident89.5Confident139 Ų13949.2 Ų49.253%0.52525%0.245SC..Hα-helixtrans-88.1-43.6-171.3-170170.6-175.1-173.8-2114.9Y110 I111Y110-R114 WeakPolarHBondContact O-CB 3.35Å; Y110-R114 PolarHBondContact O-N 2.89Å; Y110-R114 WeakPolarHBondContact OH-CD 3.25Å; Y110-R114 PolarHBondContact OH-NH1 3.03Å; I111-R114 PolarHBondContact O-N 3.42Å
115F85.6Confident89.7Confident121 Ų12149.1 Ų49.153%0.53124%0.244SC..Hα-helixtrans-104-7.1-172.7-63.3-78.3000113.2I111 I119I111-F115 HydrophobicContact CB-CD2 4.37Å; I111-F115 HydrophobicContact CG1-CD2 4.39Å; I111-F115 HydrophobicContact CG2-CB 4.21Å; I111-F115 HydrophobicContact CG2-CD2 4.02Å; I111-F115 WeakPolarHBondContact O-CA 3.39Å; I111-F115 WeakPolarHBondContact O-CB 3.37Å; I111-F115 PolarHBondContact O-N 3.14Å; F115-I119 HydrophobicContact CB-CD1 4.2Å; F115-I119 WeakPolarHBondContact O-CD1 3.32Å
116G88Confident90Very high5 Ų550.2 Ų50.25%0.05226%0.256CS..  trans108.4157.8178.300000113.5S112 A120 E251S112-G116 CarbonylContact O-C 3.49Å; S112-G116 WeakPolarHBondContact O-CA 3.44Å; S112-G116 PolarHBondContact O-N 3.37Å; G116-A120 PolarHBondContact O-N 2.9Å; G116-E251 WeakPolarHBondContact CA-OE2 3.4Å
117R90.2Very high90.4Very high17 Ų1744.4 Ų44.46%0.06423%0.226CC..Hα-helixtrans-70.7-35.3-175.6-52.1-49.4-176.9-170.2-2.7111.8S112 D113 I119 A120 L121 D175 E251 T252 N253S112-R117 PolarHBondContact O-NH1 3.37Å; S112-R117 WeakPolarHBondContact OG-CD 3.43Å; S112-R117 PolarHBondContact OG-NH1 2.7Å; D113-R117 IonicContact OD1-CZ 2.97Å; D113-R117 IonicContact OD1-NH1 2.77Å; D113-R117 PolarHBondContact OD1-NH1 3.41Å; D113-R117 IonicContact OD1-NH2 2.73Å; D113-R117 PolarHBondContact OD1-NH2 2.98Å; R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 3.43Å; R117-A120 PolarHBondContact O-N 3.12Å; R117-L121 PolarHBondContact O-N 3.37Å; R117-D175 IonicContact CZ-OD2 2.71Å; R117-D175 IonicContact NE-OD2 3.25Å; R117-D175 PolarHBondContact NE-OD2 2.91Å; R117-D175 IonicContact NH2-OD1 3.04Å; R117-D175 IonicContact NH2-OD2 3.09Å; R117-D175 PolarHBondContact NH2-OD2 3.08Å; R117-E251 WeakPolarHBondContact CB-OE1 3.38Å; R117-E251 VanDerWaalsContact N-CD 3.29Å; R117-E251 PolarHBondContact N-OE1 3.47Å; R117-E251 PolarHBondContact N-OE2 2.98Å; R117-E251 VanDerWaalsContact N-OE2 3.11Å; R117-T252 WeakPolarHBondContact CB-OG1 3.48Å; R117-T252 WeakPolarHBondContact CG-OG1 3.09Å; R117-N253 HydrophobicContact CG-CB 3.9Å
118K92.2Very high90.7Very high70 Ų7040 Ų4030%0.30420%0.203SC..Hα-helixtrans-62.2-42.6-178.9-176.8176.9-176.3154.70111.3G122 I246 F247 L249 E251K118-G122 PolarHBondContact O-N 3.37Å; K118-I246 VanDerWaalsContact CE-O 3.28Å; K118-I246 WeakPolarHBondContact CE-O 3.46Å; K118-I246 HydrophobicContact CG-CD1 4.28Å; K118-F247 PolarHBondContact NZ-O 3.49Å; K118-L249 WeakPolarHBondContact CD-O 3.5Å; K118-L249 VanDerWaalsContact CE-O 3.31Å; K118-L249 WeakPolarHBondContact CE-O 3.49Å; K118-L249 PolarHBondContact NZ-O 3.02Å; K118-E251 VanDerWaalsContact CB-OE2 3.26Å; K118-E251 WeakPolarHBondContact CB-OE2 3.28Å; K118-E251 PolarHBondContact N-OE2 3.17Å
119I92.6Very high91Very high86 Ų8640.9 Ų40.944%0.44121%0.211SC..Hα-helixtrans-66.8-43.8178.9-63.7-179.1000110.5I111 F115 R117 L121 G122 I123I111-I119 HydrophobicContact CG2-CG2 4.17Å; F115-I119 HydrophobicContact CB-CD1 4.2Å; F115-I119 WeakPolarHBondContact O-CD1 3.32Å; R117-I119 VanDerWaalsContact C-N 3.33Å; R117-I119 PolarHBondContact O-N 3.43Å; I119-L121 PolarHBondContact O-N 2.95Å; I119-G122 PolarHBondContact O-N 3.47Å; I119-G122 VanDerWaalsContact O-N 3.17Å; I119-I123 HydrophobicContact CG2-CD1 4.1Å; I119-I123 WeakPolarHBondContact O-CG1 3.46Å; I119-I123 PolarHBondContact O-N 2.89Å
120A92.6Very high91.4Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-61.5-44.3177.100000112.7V108 S112 G116 R117 G122 I123 L124V108-A120 HydrophobicContact CG1-CB 4.01Å; S112-A120 VanDerWaalsContact CB-CB 3.44Å; G116-A120 PolarHBondContact O-N 2.9Å; R117-A120 PolarHBondContact O-N 3.12Å; A120-G122 VanDerWaalsContact C-N 3.33Å; A120-I123 PolarHBondContact O-N 3.23Å; A120-L124 WeakPolarHBondContact O-CB 3.38Å; A120-L124 PolarHBondContact O-N 3.28Å; A120-L124 VanDerWaalsContact O-N 3.11Å
121L93.8Very high91.8Very high0 Ų035.7 Ų35.70%019%0.189CC..Hα-helixtrans-63.8-37.7173.2-75.1172.7000112.1L27 R117 I119 L124 I125 Q168 F169 I246 L249L27-L121 HydrophobicContact CD2-CD1 4.35Å; R117-L121 PolarHBondContact O-N 3.37Å; I119-L121 PolarHBondContact O-N 2.95Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 PolarHBondContact O-N 3.47Å; L121-I125 WeakPolarHBondContact O-CB 3.49Å; L121-I125 WeakPolarHBondContact O-CD1 3.33Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.36Å; L121-I125 PolarHBondContact O-N 3.41Å; L121-Q168 HydrophobicContact CD2-CB 3.61Å; L121-Q168 HydrophobicContact CG-CB 4.28Å; L121-F169 HydrophobicContact CD2-CD1 4.32Å; L121-F169 HydrophobicContact CD2-CE1 4.14Å; L121-F169 HydrophobicContact CD2-CZ 4.36Å; L121-I246 HydrophobicContact CB-CD1 3.77Å; L121-L249 HydrophobicContact CD1-CD2 3.52Å
122G94.5Very high92.2Very high26 Ų2634.4 Ų34.427%0.26818%0.183SC..Hα-helixtrans-62.1-45.5175.700000113.1K118 I119 A120 L124 I125 A126K118-G122 PolarHBondContact O-N 3.37Å; I119-G122 PolarHBondContact O-N 3.47Å; I119-G122 VanDerWaalsContact O-N 3.17Å; A120-G122 VanDerWaalsContact C-N 3.33Å; G122-L124 VanDerWaalsContact C-N 3.27Å; G122-L124 PolarHBondContact O-N 2.82Å; G122-I125 PolarHBondContact O-N 3.46Å; G122-A126 VanDerWaalsContact O-CB 3.3Å; G122-A126 WeakPolarHBondContact O-CB 3.25Å; G122-A126 PolarHBondContact O-N 3.29Å
123I94.2Very high92.4Very high54 Ų5438.6 Ų38.628%0.27721%0.208SC..Hα-helixtrans-60.3-42175.2-67.7166.7000110.4V108 I111 I119 A120 A126 G127 I158V108-I123 HydrophobicContact CG2-CG2 4.35Å; I111-I123 HydrophobicContact CD1-CD1 3.94Å; I111-I123 HydrophobicContact CG2-CD1 3.99Å; I119-I123 HydrophobicContact CG2-CD1 4.1Å; I119-I123 WeakPolarHBondContact O-CG1 3.46Å; I119-I123 PolarHBondContact O-N 2.89Å; A120-I123 PolarHBondContact O-N 3.23Å; I123-A126 PolarHBondContact O-N 2.95Å; I123-G127 PolarHBondContact O-N 3.04Å; I123-I158 HydrophobicContact CG2-CG2 4.41Å
124L93.4Very high93Very high0 Ų035.9 Ų35.90%020%0.197CC..Hα-helixtrans-62.2-50.3177.9-177.8141.3000112.4F34 A120 L121 G122 A126 G127 E128 S164 A165F34-L124 HydrophobicContact CE1-CD2 4.38Å; F34-L124 HydrophobicContact CE2-CD2 3.57Å; F34-L124 HydrophobicContact CZ-CD2 3.48Å; F34-L124 VanDerWaalsContact CZ-CD2 3.48Å; A120-L124 WeakPolarHBondContact O-CB 3.38Å; A120-L124 PolarHBondContact O-N 3.28Å; A120-L124 VanDerWaalsContact O-N 3.11Å; L121-L124 WeakPolarHBondContact O-CB 3.28Å; L121-L124 PolarHBondContact O-N 3.47Å; G122-L124 VanDerWaalsContact C-N 3.27Å; G122-L124 PolarHBondContact O-N 2.82Å; L124-A126 VanDerWaalsContact C-N 3.28Å; L124-A126 PolarHBondContact O-N 3.44Å; L124-G127 PolarHBondContact O-N 2.79Å; L124-E128 WeakPolarHBondContact O-CG 3.33Å; L124-E128 PolarHBondContact O-N 2.94Å; L124-S164 VanDerWaalsContact CD1-C 3.49Å; L124-A165 HydrophobicContact CD1-CB 3.79Å; L124-A165 HydrophobicContact CD2-CB 3.91Å; L124-A165 HydrophobicContact CG-CB 4.45Å
125I95Very high93.6Very high6 Ų629.3 Ų29.33%0.03117%0.172CC..Hα-helixtrans-63.5-36.9179-69164000110.8M30 L121 G122 A129 Y239 V242 I243 I246M30-I125 HydrophobicContact CE-CD1 3.53Å; L121-I125 WeakPolarHBondContact O-CB 3.49Å; L121-I125 WeakPolarHBondContact O-CD1 3.33Å; L121-I125 VanDerWaalsContact O-CG1 3.24Å; L121-I125 WeakPolarHBondContact O-CG1 3.36Å; L121-I125 PolarHBondContact O-N 3.41Å; G122-I125 PolarHBondContact O-N 3.46Å; I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.3Å; I125-A129 PolarHBondContact O-N 2.98Å; I125-Y239 WeakPolarHBondContact CA-OH 3.31Å; I125-Y239 HydrophobicContact CG2-CE1 4.38Å; I125-Y239 WeakPolarHBondContact CG2-OH 3.41Å; I125-Y239 PolarHBondContact O-OH 3.5Å; I125-V242 HydrophobicContact CD1-CG1 3.84Å; I125-V242 HydrophobicContact CG1-CG1 3.9Å; I125-V242 HydrophobicContact CG2-CG1 4.16Å; I125-I243 HydrophobicContact CG2-CG1 4.06Å; I125-I246 HydrophobicContact CD1-CB 3.71Å; I125-I246 HydrophobicContact CD1-CD1 4.09Å; I125-I246 HydrophobicContact CD1-CG1 3.91Å; I125-I246 HydrophobicContact CD1-CG2 4.15Å
126A94.6Very high94.1Very high55 Ų5523.8 Ų23.846%0.45515%0.149SC..Hα-helixtrans-67.2-39.6176.400000112.4G122 I123 L124 A129 S130G122-A126 VanDerWaalsContact O-CB 3.3Å; G122-A126 WeakPolarHBondContact O-CB 3.25Å; G122-A126 PolarHBondContact O-N 3.29Å; I123-A126 PolarHBondContact O-N 2.95Å; L124-A126 VanDerWaalsContact C-N 3.28Å; L124-A126 PolarHBondContact O-N 3.44Å; A126-A129 PolarHBondContact O-N 3.15Å; A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 3.36Å
127G94.6Very high94.5Very high0 Ų026.6 Ų26.60%017%0.165CC..Hα-helixtrans-62.8-47.9175.700000112.6I123 L124 A129 S130 Q131 I158I123-G127 PolarHBondContact O-N 3.04Å; L124-G127 PolarHBondContact O-N 2.79Å; G127-A129 PolarHBondContact O-N 2.85Å; G127-S130 WeakPolarHBondContact O-CB 3.48Å; G127-S130 PolarHBondContact O-N 3.37Å; G127-S130 VanDerWaalsContact O-N 3.13Å; G127-S130 PolarHBondContact O-OG 3.08Å; G127-Q131 PolarHBondContact O-N 3.09Å; G127-I158 WeakPolarHBondContact CA-O 3.38Å
128E94.7Very high94.8Very high0 Ų026 Ų260%016%0.164CC..Hα-helixtrans-65.2-38.2176.1-68.1-79.4-162.400111.9F34 L124 S130 Q131 V132 G161 L162 Y239F34-E128 HydrophobicContact CE2-CB 4.07Å; F34-E128 HydrophobicContact CE2-CG 3.78Å; F34-E128 HydrophobicContact CZ-CG 3.83Å; L124-E128 WeakPolarHBondContact O-CG 3.33Å; L124-E128 PolarHBondContact O-N 2.94Å; E128-S130 VanDerWaalsContact C-N 3.3Å; E128-S130 PolarHBondContact O-N 3.39Å; E128-Q131 PolarHBondContact O-N 3.4Å; E128-V132 VanDerWaalsContact O-CG2 3.31Å; E128-V132 WeakPolarHBondContact O-CG2 3.35Å; E128-V132 PolarHBondContact O-N 3.22Å; E128-G161 WeakPolarHBondContact OE1-CA 3.49Å; E128-L162 PolarHBondContact OE1-N 2.93Å; E128-Y239 HydrophobicContact CB-CE2 4.35Å; E128-Y239 VanDerWaalsContact CB-OH 3.22Å; E128-Y239 WeakPolarHBondContact CB-OH 3.34Å
129A95.2Very high95Very high23 Ų2322.7 Ų22.719%0.1915%0.149CC..Hα-helixtrans-59.2-43.2171.800000111.5I125 A126 G127 Q131 V132 V133 Y239 I243I125-A129 VanDerWaalsContact O-CB 3.26Å; I125-A129 WeakPolarHBondContact O-CB 3.3Å; I125-A129 PolarHBondContact O-N 2.98Å; A126-A129 PolarHBondContact O-N 3.15Å; G127-A129 PolarHBondContact O-N 2.85Å; A129-Q131 VanDerWaalsContact C-N 3.32Å; A129-Q131 PolarHBondContact O-N 3.42Å; A129-V132 PolarHBondContact O-N 3.07Å; A129-V133 WeakPolarHBondContact O-CB 3.41Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.29Å; A129-V133 PolarHBondContact O-N 3.23Å; A129-Y239 HydrophobicContact CB-CE1 3.73Å; A129-I243 HydrophobicContact CB-CD1 4.46Å
130S94.6Very high95.2Very high33 Ų3322.4 Ų22.423%0.23115%0.145CC..Hα-helixtrans-64.8-37.5179.779.10000112A126 G127 E128 A134A126-S130 WeakPolarHBondContact O-CB 3.48Å; A126-S130 PolarHBondContact O-N 3.36Å; G127-S130 WeakPolarHBondContact O-CB 3.48Å; G127-S130 PolarHBondContact O-N 3.37Å; G127-S130 VanDerWaalsContact O-N 3.13Å; G127-S130 PolarHBondContact O-OG 3.08Å; E128-S130 VanDerWaalsContact C-N 3.3Å; E128-S130 PolarHBondContact O-N 3.39Å; S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 2.9Å
131Q95Very high95.4Very high1 Ų129.6 Ų29.61%0.00518%0.177CC..Hα-helixtrans-63.5-51.5173.6-172.7-87.76.300110.8S41 G127 E128 A129 V133 A134 V135 N152 E155S41-Q131 PolarHBondContact OG-NE2 3.23Å; S41-Q131 PolarHBondContact OG-OE1 2.93Å; G127-Q131 PolarHBondContact O-N 3.09Å; E128-Q131 PolarHBondContact O-N 3.4Å; A129-Q131 VanDerWaalsContact C-N 3.32Å; A129-Q131 PolarHBondContact O-N 3.42Å; Q131-V133 VanDerWaalsContact C-N 3.28Å; Q131-V133 PolarHBondContact O-N 3.03Å; Q131-A134 PolarHBondContact O-N 2.93Å; Q131-A134 VanDerWaalsContact O-N 3.07Å; Q131-V135 HydrophobicContact CG-CG2 4.49Å; Q131-V135 WeakPolarHBondContact O-CG2 3.32Å; Q131-V135 PolarHBondContact O-N 3.48Å; Q131-N152 PolarHBondContact NE2-OD1 3.5Å; Q131-E155 HydrophobicContact CB-CB 3.92Å; Q131-E155 HydrophobicContact CB-CG 4.32Å; Q131-E155 HydrophobicContact CG-CB 3.87Å; Q131-E155 HydrophobicContact CG-CG 4.29Å
132V95.5Very high95.3Very high4 Ų437.7 Ų37.72%0.02421%0.207CC..Hα-helixtrans-59.5-41.7-178.1169.30000110.7E128 A129 A136 M232 I236E128-V132 VanDerWaalsContact O-CG2 3.31Å; E128-V132 WeakPolarHBondContact O-CG2 3.35Å; E128-V132 PolarHBondContact O-N 3.22Å; A129-V132 PolarHBondContact O-N 3.07Å; V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 3.37Å; V132-M232 HydrophobicContact CG1-CE 3.59Å; V132-M232 WeakPolarHBondContact O-CE 3.46Å; V132-I236 HydrophobicContact CG1-CG1 3.9Å
133V95.9Very high95.3Very high89 Ų8940 Ų4054%0.53921%0.213SC..Hα-helixtrans-65.2-44.3175.7170.80000111.3A129 Q131 A136 V137A129-V133 WeakPolarHBondContact O-CB 3.41Å; A129-V133 VanDerWaalsContact O-CG2 3.29Å; A129-V133 WeakPolarHBondContact O-CG2 3.29Å; A129-V133 PolarHBondContact O-N 3.23Å; Q131-V133 VanDerWaalsContact C-N 3.28Å; Q131-V133 PolarHBondContact O-N 3.03Å; V133-A136 WeakPolarHBondContact O-CB 3.44Å; V133-A136 PolarHBondContact O-N 3.17Å; V133-V137 WeakPolarHBondContact O-CG2 3.21Å; V133-V137 PolarHBondContact O-N 3.44Å
134A96Very high95.3Very high25 Ų2540.9 Ų40.921%0.20722%0.221CC..Hα-helixtrans-64.3-41.9178.900000112.1S130 Q131 A136 V137 V138 S151 L154S130-A134 WeakPolarHBondContact O-CB 3.24Å; S130-A134 PolarHBondContact O-N 2.9Å; Q131-A134 PolarHBondContact O-N 2.93Å; Q131-A134 VanDerWaalsContact O-N 3.07Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.44Å; A134-V137 PolarHBondContact O-N 3.23Å; A134-V138 WeakPolarHBondContact O-CG2 3.5Å; A134-V138 PolarHBondContact O-N 2.96Å; A134-V138 VanDerWaalsContact O-N 3.1Å; A134-S151 VanDerWaalsContact CB-CB 3.47Å; A134-L154 HydrophobicContact CB-CD1 4.33Å
135V96.6Very high95.2Very high0 Ų040.9 Ų40.90%022%0.221CC..Hα-helixtrans-61.6-41.8172.4175.90000110.6I44 C45 Q131 V137 V138 V139 L148 M232I44-V135 HydrophobicContact CG2-CG1 4.28Å; C45-V135 VanDerWaalsContact SG-CG2 3.54Å; Q131-V135 HydrophobicContact CG-CG2 4.49Å; Q131-V135 WeakPolarHBondContact O-CG2 3.32Å; Q131-V135 PolarHBondContact O-N 3.48Å; V135-V137 VanDerWaalsContact C-N 3.34Å; V135-V137 PolarHBondContact O-N 2.98Å; V135-V138 PolarHBondContact O-N 3.5Å; V135-V138 VanDerWaalsContact O-N 3.14Å; V135-V139 HydrophobicContact CG1-CG2 4.19Å; V135-V139 WeakPolarHBondContact O-CG2 3.17Å; V135-V139 PolarHBondContact O-N 2.95Å; V135-L148 HydrophobicContact CB-CD2 4.46Å; V135-L148 HydrophobicContact CG1-CD2 4.19Å; V135-L148 HydrophobicContact CG2-CD2 4.16Å; V135-M232 HydrophobicContact CG1-SD 3.94Å
136A97Very high95.2Very high6 Ų646 Ų465%0.0524%0.24CC..Hα-helixtrans-60.3-43.2177.500000112.5V132 V133 A134 V138 V139 F140 M232 I236V132-A136 WeakPolarHBondContact O-CB 3.41Å; V132-A136 PolarHBondContact O-N 3.37Å; V133-A136 WeakPolarHBondContact O-CB 3.44Å; V133-A136 PolarHBondContact O-N 3.17Å; A134-A136 VanDerWaalsContact C-N 3.32Å; A134-A136 PolarHBondContact O-N 3.44Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.46Å; A136-V139 PolarHBondContact O-N 3.4Å; A136-F140 HydrophobicContact CB-CD2 4.09Å; A136-F140 HydrophobicContact CB-CE2 3.82Å; A136-F140 WeakPolarHBondContact O-CB 3.36Å; A136-F140 WeakPolarHBondContact O-CD2 3.04Å; A136-F140 VanDerWaalsContact O-CG 3.29Å; A136-F140 WeakPolarHBondContact O-CG 3.32Å; A136-F140 PolarHBondContact O-N 2.93Å; A136-M232 HydrophobicContact CB-CE 4.01Å; A136-M232 HydrophobicContact CB-CG 3.72Å; A136-M232 HydrophobicContact CB-SD 4.11Å; A136-I236 HydrophobicContact CB-CD1 3.96Å
137V97.2Very high95.2Very high63 Ų6344.7 Ų44.738%0.38223%0.229SC..Hα-helixtrans-58.3-47.31741720000110.2V133 A134 V135 V139 F141 L143V133-V137 WeakPolarHBondContact O-CG2 3.21Å; V133-V137 PolarHBondContact O-N 3.44Å; A134-V137 PolarHBondContact O-N 3.23Å; V135-V137 VanDerWaalsContact C-N 3.34Å; V135-V137 PolarHBondContact O-N 2.98Å; V137-V139 PolarHBondContact O-N 2.86Å; V137-F141 HydrophobicContact CG1-CD2 3.87Å; V137-F141 HydrophobicContact CG1-CE2 4.32Å; V137-F141 WeakPolarHBondContact O-CB 3.31Å; V137-F141 VanDerWaalsContact O-CD2 3.28Å; V137-F141 WeakPolarHBondContact O-CD2 3.04Å; V137-F141 PolarHBondContact O-N 2.94Å; V137-F141 VanDerWaalsContact O-N 3.07Å; V137-L143 HydrophobicContact CG1-CD1 4.13Å
138V96.7Very high95.2Very high6 Ų644.7 Ų44.74%0.03623%0.229CC..Hα-helixtrans-60.2-45.1178.7173.40000111.9F48 A134 V135 A136 R142 L143 A147 L148F48-V138 HydrophobicContact CD1-CG1 4.41Å; F48-V138 HydrophobicContact CE1-CG1 3.8Å; F48-V138 HydrophobicContact CZ-CG1 4.47Å; A134-V138 WeakPolarHBondContact O-CG2 3.5Å; A134-V138 PolarHBondContact O-N 2.96Å; A134-V138 VanDerWaalsContact O-N 3.1Å; V135-V138 PolarHBondContact O-N 3.5Å; V135-V138 VanDerWaalsContact O-N 3.14Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.46Å; V138-R142 CarbonylContact O-C 3.49Å; V138-R142 WeakPolarHBondContact O-CA 3.5Å; V138-R142 PolarHBondContact O-N 2.93Å; V138-L143 HydrophobicContact CB-CB 4.5Å; V138-L143 HydrophobicContact CG1-CB 4.2Å; V138-L143 HydrophobicContact CG2-CB 4.49Å; V138-L143 HydrophobicContact CG2-CD1 4.33Å; V138-L143 PolarHBondContact O-N 3.31Å; V138-A147 HydrophobicContact CG1-CB 4.48Å; V138-A147 HydrophobicContact CG2-CB 3.55Å; V138-L148 HydrophobicContact CB-CD2 3.85Å; V138-L148 HydrophobicContact CG1-CD2 3.64Å; V138-L148 HydrophobicContact CG1-CG 3.95Å; V138-L148 HydrophobicContact CG2-CD2 4.14Å
139V96.4Very high95.2Very high0 Ų045.9 Ų45.90%024%0.237CC..Hα-helixtrans-69.8-49-177.8172.20000111.6I44 F48 V135 A136 V137 R142 F228 M232I44-V139 HydrophobicContact CG2-CG2 3.79Å; F48-V139 HydrophobicContact CD2-CG2 4.17Å; F48-V139 HydrophobicContact CE2-CG2 4.43Å; F48-V139 HydrophobicContact CG-CG2 4.3Å; V135-V139 HydrophobicContact CG1-CG2 4.19Å; V135-V139 WeakPolarHBondContact O-CG2 3.17Å; V135-V139 PolarHBondContact O-N 2.95Å; A136-V139 PolarHBondContact O-N 3.4Å; V137-V139 PolarHBondContact O-N 2.86Å; V139-R142 PolarHBondContact O-N 3.26Å; V139-F228 HydrophobicContact CG1-CB 3.73Å; V139-M232 HydrophobicContact CG1-CB 4.4Å
140F96.6Very high95.1Very high80 Ų8047.6 Ų47.635%0.35125%0.251SS..Hα-helixtrans-66.5-40.5-176.6-68.1-42.9000112.7A136 R142 N229 M232 I233 I236A136-F140 HydrophobicContact CB-CD2 4.09Å; A136-F140 HydrophobicContact CB-CE2 3.82Å; A136-F140 WeakPolarHBondContact O-CB 3.36Å; A136-F140 WeakPolarHBondContact O-CD2 3.04Å; A136-F140 VanDerWaalsContact O-CG 3.29Å; A136-F140 WeakPolarHBondContact O-CG 3.32Å; A136-F140 PolarHBondContact O-N 2.93Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-N229 HydrophobicContact CD1-CB 4.1Å; F140-N229 HydrophobicContact CE1-CB 4.05Å; F140-M232 HydrophobicContact CE1-CB 4.32Å; F140-M232 HydrophobicContact CE2-CG 4.44Å; F140-M232 HydrophobicContact CZ-CB 4.22Å; F140-M232 HydrophobicContact CZ-CG 4.1Å; F140-I233 HydrophobicContact CE1-CD1 4.38Å; F140-I233 HydrophobicContact CE1-CG1 4Å; F140-I233 HydrophobicContact CZ-CD1 4.47Å; F140-I233 HydrophobicContact CZ-CG1 3.72Å; F140-I236 HydrophobicContact CE2-CD1 4.46Å
141F95.7Very high95Very high151 Ų15146.1 Ų46.166%0.66224%0.24SC*.THydrogen-bonded Turntrans-88.32.2178-66-74.4000113.4V137 L143V137-F141 HydrophobicContact CG1-CD2 3.87Å; V137-F141 HydrophobicContact CG1-CE2 4.32Å; V137-F141 WeakPolarHBondContact O-CB 3.31Å; V137-F141 VanDerWaalsContact O-CD2 3.28Å; V137-F141 WeakPolarHBondContact O-CD2 3.04Å; V137-F141 PolarHBondContact O-N 2.94Å; V137-F141 VanDerWaalsContact O-N 3.07Å; F141-L143 HydrophobicContact CB-CD2 3.89Å; F141-L143 HydrophobicContact CB-CG 3.91Å; F141-L143 PolarHBondContact O-N 3.48Å
142R92.6Very high94.9Very high170 Ų17046.7 Ų46.764%0.64224%0.243SC*.THydrogen-bonded Turntrans48.646-177.2-61.5-176.5174.5-174.5-1.2112.5V138 V139 F140V138-R142 CarbonylContact O-C 3.49Å; V138-R142 WeakPolarHBondContact O-CA 3.5Å; V138-R142 PolarHBondContact O-N 2.93Å; V139-R142 PolarHBondContact O-N 3.26Å; F140-R142 VanDerWaalsContact C-N 3.31Å
143L94.3Very high94.7Very high74 Ų7448.8 Ų48.839%0.38726%0.256SS..  trans-69.8167.8178.8-55.9-179.8000110.8V137 V138 F141 A147V137-L143 HydrophobicContact CG1-CD1 4.13Å; V138-L143 HydrophobicContact CB-CB 4.5Å; V138-L143 HydrophobicContact CG1-CB 4.2Å; V138-L143 HydrophobicContact CG2-CB 4.49Å; V138-L143 HydrophobicContact CG2-CD1 4.33Å; V138-L143 PolarHBondContact O-N 3.31Å; F141-L143 HydrophobicContact CB-CD2 3.89Å; F141-L143 HydrophobicContact CB-CG 3.91Å; F141-L143 PolarHBondContact O-N 3.48Å; L143-A147 HydrophobicContact CB-CB 4.36Å
144T93.3Very high94.5Very high73 Ų7347.9 Ų47.945%0.44825%0.248SC..  trans-55.7141176.3-177.90000111.5W146 A147T144-W146 HydrophobicContact CG2-CB 4.12Å; T144-W146 PolarHBondContact O-N 3.49Å; T144-W146 VanDerWaalsContact O-N 3.07Å; T144-A147 HydrophobicContact CG2-CB 4.27Å; T144-A147 VanDerWaalsContact O-CB 3.25Å; T144-A147 WeakPolarHBondContact O-CB 3.28Å; T144-A147 PolarHBondContact O-N 3.39Å
145P92Very high94.3Very high0 Ų047.6 Ų47.60%024%0.242CC..THydrogen-bonded Turntrans-56.2-25.4175.7-27.836.7000114T49 S52 F53 V89 A147 L148T49-P145 HydrophobicContact CG2-CB 3.99Å; S52-P145 VanDerWaalsContact CB-CG 3.4Å; F53-P145 HydrophobicContact CD2-CG 4.46Å; F53-P145 HydrophobicContact CE2-CB 4.09Å; F53-P145 HydrophobicContact CE2-CG 4.16Å; F53-P145 HydrophobicContact CZ-CB 4.31Å; F53-P145 HydrophobicContact CZ-CG 4.27Å; V89-P145 HydrophobicContact CG1-CB 4.33Å; P145-A147 PolarHBondContact O-N 3.29Å; P145-L148 VanDerWaalsContact O-CB 3.28Å; P145-L148 WeakPolarHBondContact O-CB 3.39Å; P145-L148 PolarHBondContact O-N 3.05Å
146W94.8Very high94Very high112 Ų11247.6 Ų47.642%0.42424%0.242SC..THydrogen-bonded Turntrans-62.5-22.9174.6-69.6103.5000113.4V89 T92 T144 L148 V149V89-W146 HydrophobicContact CG2-CD2 3.81Å; V89-W146 HydrophobicContact CG2-CE3 4.04Å; V89-W146 HydrophobicContact CG2-CG 4.46Å; V89-W146 HydrophobicContact CG2-CH2 3.85Å; V89-W146 HydrophobicContact CG2-CZ2 3.6Å; V89-W146 HydrophobicContact CG2-CZ3 4.06Å; T92-W146 HydrophobicContact CG2-CZ3 4.31Å; T144-W146 HydrophobicContact CG2-CB 4.12Å; T144-W146 PolarHBondContact O-N 3.49Å; T144-W146 VanDerWaalsContact O-N 3.07Å; W146-L148 PolarHBondContact O-N 3.43Å; W146-V149 HydrophobicContact CE3-CG2 4.02Å; W146-V149 WeakPolarHBondContact O-CB 3.12Å; W146-V149 WeakPolarHBondContact O-CG2 3.43Å; W146-V149 PolarHBondContact O-N 3.3Å; W146-V149 VanDerWaalsContact O-N 3.14Å
147A95Very high93.7Very high28 Ų2852.5 Ų52.523%0.23127%0.267CS..Hα-helixtrans-67.2-22.4174.300000112.6V138 L143 T144 P145 V149 A150 S151V138-A147 HydrophobicContact CG1-CB 4.48Å; V138-A147 HydrophobicContact CG2-CB 3.55Å; L143-A147 HydrophobicContact CB-CB 4.36Å; T144-A147 HydrophobicContact CG2-CB 4.27Å; T144-A147 VanDerWaalsContact O-CB 3.25Å; T144-A147 WeakPolarHBondContact O-CB 3.28Å; T144-A147 PolarHBondContact O-N 3.39Å; P145-A147 PolarHBondContact O-N 3.29Å; A147-V149 PolarHBondContact O-N 2.88Å; A147-A150 WeakPolarHBondContact O-CB 3.23Å; A147-A150 PolarHBondContact O-N 3.26Å; A147-S151 PolarHBondContact O-N 2.78Å
148L94.4Very high93.4Very high0 Ų052.6 Ų52.60%026%0.264CS..Hα-helixtrans-68-21.6173-60.6174.4000112.7C45 F48 T49 V135 V138 P145 W146 A150 S151 N152C45-L148 HydrophobicContact CB-CD1 4.22Å; F48-L148 HydrophobicContact CD1-CD1 4.16Å; T49-L148 WeakPolarHBondContact OG1-CD1 3.37Å; V135-L148 HydrophobicContact CB-CD2 4.46Å; V135-L148 HydrophobicContact CG1-CD2 4.19Å; V135-L148 HydrophobicContact CG2-CD2 4.16Å; V138-L148 HydrophobicContact CB-CD2 3.85Å; V138-L148 HydrophobicContact CG1-CD2 3.64Å; V138-L148 HydrophobicContact CG1-CG 3.95Å; V138-L148 HydrophobicContact CG2-CD2 4.14Å; P145-L148 VanDerWaalsContact O-CB 3.28Å; P145-L148 WeakPolarHBondContact O-CB 3.39Å; P145-L148 PolarHBondContact O-N 3.05Å; W146-L148 PolarHBondContact O-N 3.43Å; L148-A150 VanDerWaalsContact C-N 3.27Å; L148-A150 PolarHBondContact O-N 2.88Å; L148-S151 WeakPolarHBondContact CA-OG 3.4Å; L148-S151 PolarHBondContact O-N 3.22Å; L148-S151 PolarHBondContact O-OG 2.9Å; L148-N152 PolarHBondContact O-N 3.09Å; L148-N152 VanDerWaalsContact O-N 3.16Å
149V94.2Very high92.7Very high26 Ų2652.4 Ų52.416%0.15826%0.264CS..Hα-helixtrans-62.4-43.6173-178.80000109T92 N93 A96 W146 A147 S151 N152 V153T92-V149 HydrophobicContact CG2-CG1 3.98Å; T92-V149 HydrophobicContact CG2-CG2 3.94Å; N93-V149 WeakPolarHBondContact OD1-CA 3.02Å; N93-V149 WeakPolarHBondContact OD1-CG2 3.45Å; N93-V149 PolarHBondContact OD1-N 3.47Å; A96-V149 HydrophobicContact CB-CG1 3.9Å; W146-V149 HydrophobicContact CE3-CG2 4.02Å; W146-V149 WeakPolarHBondContact O-CB 3.12Å; W146-V149 WeakPolarHBondContact O-CG2 3.43Å; W146-V149 PolarHBondContact O-N 3.3Å; W146-V149 VanDerWaalsContact O-N 3.14Å; A147-V149 PolarHBondContact O-N 2.88Å; V149-S151 PolarHBondContact O-N 2.66Å; V149-N152 PolarHBondContact O-N 2.91Å; V149-V153 WeakPolarHBondContact O-CG2 3.48Å; V149-V153 PolarHBondContact O-N 2.88Å
150A93.3Very high92.1Very high59 Ų5952.5 Ų52.549%0.48827%0.265SS..Hα-helixtrans-64.7-39.3-179.800000112.2A147 L148 N152 V153 L154A147-A150 WeakPolarHBondContact O-CB 3.23Å; A147-A150 PolarHBondContact O-N 3.26Å; L148-A150 VanDerWaalsContact C-N 3.27Å; L148-A150 PolarHBondContact O-N 2.88Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.3Å; A150-V153 PolarHBondContact O-N 3.31Å; A150-L154 WeakPolarHBondContact O-CG 3.35Å; A150-L154 PolarHBondContact O-N 2.89Å
151S93.1Very high91.7Very high1 Ų148.8 Ų48.81%0.00725%0.249CC..Hα-helixtrans-62.4-40.4175.659.10000112.1A134 A147 L148 V149 L154 E155A134-S151 VanDerWaalsContact CB-CB 3.47Å; A147-S151 PolarHBondContact O-N 2.78Å; L148-S151 WeakPolarHBondContact CA-OG 3.4Å; L148-S151 PolarHBondContact O-N 3.22Å; L148-S151 PolarHBondContact O-OG 2.9Å; V149-S151 PolarHBondContact O-N 2.66Å; S151-L154 WeakPolarHBondContact O-CB 3.38Å; S151-L154 PolarHBondContact O-N 3.48Å; S151-E155 PolarHBondContact O-N 3.34Å
152N91.9Very high91.2Very high13 Ų1343.5 Ų43.57%0.0723%0.228CC..Hα-helixtrans-74.2-30179.2-76.710.4000113.1N93 A97 Q131 L148 V149 A150 L154 E155 G156N93-N152 PolarHBondContact O-ND2 3.39Å; A97-N152 HydrophobicContact CB-CB 4.13Å; Q131-N152 PolarHBondContact NE2-OD1 3.5Å; L148-N152 PolarHBondContact O-N 3.09Å; L148-N152 VanDerWaalsContact O-N 3.16Å; V149-N152 PolarHBondContact O-N 2.91Å; A150-N152 VanDerWaalsContact C-N 3.32Å; A150-N152 PolarHBondContact O-N 3.3Å; N152-L154 VanDerWaalsContact C-N 3.29Å; N152-L154 PolarHBondContact O-N 3.45Å; N152-E155 PolarHBondContact O-N 3.4Å; N152-G156 PolarHBondContact O-N 3.35Å
153V92.9Very high90.6Very high49 Ų4937.2 Ų37.230%0.29721%0.207SC..Hα-helixtrans-61-40.8169171.80000110.7A96 V149 A150 G156 L157A96-V153 HydrophobicContact CB-CG2 3.64Å; V149-V153 WeakPolarHBondContact O-CG2 3.48Å; V149-V153 PolarHBondContact O-N 2.88Å; A150-V153 PolarHBondContact O-N 3.31Å; V153-G156 PolarHBondContact O-N 2.92Å; V153-L157 HydrophobicContact CG1-CD1 3.63Å; V153-L157 HydrophobicContact CG1-CG 4.13Å; V153-L157 WeakPolarHBondContact O-CB 3.11Å; V153-L157 VanDerWaalsContact O-CG 3.32Å; V153-L157 WeakPolarHBondContact O-CG 3.19Å; V153-L157 PolarHBondContact O-N 3.47Å
154L90.7Very high90.2Very high69 Ų6933.8 Ų33.836%0.36119%0.189SC..Hα-helixtrans-62.2-44.9178-68.4171.7000111.8A134 A150 S151 N152 L157 I158A134-L154 HydrophobicContact CB-CD1 4.33Å; A150-L154 WeakPolarHBondContact O-CG 3.35Å; A150-L154 PolarHBondContact O-N 2.89Å; S151-L154 WeakPolarHBondContact O-CB 3.38Å; S151-L154 PolarHBondContact O-N 3.48Å; N152-L154 VanDerWaalsContact C-N 3.29Å; N152-L154 PolarHBondContact O-N 3.45Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-I158 VanDerWaalsContact O-CB 3.29Å; L154-I158 WeakPolarHBondContact O-CB 3.12Å; L154-I158 WeakPolarHBondContact O-CG1 3.29Å; L154-I158 PolarHBondContact O-N 3.05Å
155E91.2Very high90.1Very high20 Ų2030.3 Ų30.39%0.09317%0.167CC..Hα-helixtrans-60.6-43.9173.6-167.3-160.3138.400112.4Q131 S151 N152 I158 G160 G161Q131-E155 HydrophobicContact CB-CB 3.92Å; Q131-E155 HydrophobicContact CB-CG 4.32Å; Q131-E155 HydrophobicContact CG-CB 3.87Å; Q131-E155 HydrophobicContact CG-CG 4.29Å; S151-E155 PolarHBondContact O-N 3.34Å; N152-E155 PolarHBondContact O-N 3.4Å; E155-I158 CarbonylContact O-C 3.58Å; E155-G160 PolarHBondContact O-N 2.95Å; E155-G161 VanDerWaalsContact OE1-CA 3.26Å; E155-G161 WeakPolarHBondContact OE1-CA 3.21Å
156G90.6Very high89.9Confident0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-63.2-43.3178.800000111.7A97 P100 G101 S104 N152 V153A97-G156 WeakPolarHBondContact O-CA 3.43Å; P100-G156 CarbonylContact C-O 3.33Å; P100-G156 VanDerWaalsContact C-O 3.27Å; G101-G156 VanDerWaalsContact CA-O 3.3Å; G101-G156 WeakPolarHBondContact CA-O 3.33Å; G101-G156 PolarHBondContact N-O 2.94Å; S104-G156 WeakPolarHBondContact CB-O 3.28Å; S104-G156 PolarHBondContact OG-O 3.4Å; N152-G156 PolarHBondContact O-N 3.35Å; V153-G156 PolarHBondContact O-N 2.92Å
157L91.9Very high89.6Confident108 Ų10828.5 Ų28.557%0.56517%0.172SC*.Hα-helixtrans-75.7-40.8-179.7-71.1174000112.6P100 S104 V153 L154P100-L157 HydrophobicContact CB-CD2 3.95Å; P100-L157 HydrophobicContact CB-CG 4.24Å; S104-L157 WeakPolarHBondContact CB-O 3.42Å; V153-L157 HydrophobicContact CG1-CD1 3.63Å; V153-L157 HydrophobicContact CG1-CG 4.13Å; V153-L157 WeakPolarHBondContact O-CB 3.11Å; V153-L157 VanDerWaalsContact O-CG 3.32Å; V153-L157 WeakPolarHBondContact O-CG 3.19Å; V153-L157 PolarHBondContact O-N 3.47Å; L154-L157 PolarHBondContact O-N 3.26Å
158I90.2Very high89.4Confident65 Ų6527.5 Ų27.533%0.33316%0.163SC..THydrogen-bonded Turntrans-104.8108.7-175.1-49.9174.1000108.1I123 G127 L154 E155 G160I123-I158 HydrophobicContact CG2-CG2 4.41Å; G127-I158 WeakPolarHBondContact CA-O 3.38Å; L154-I158 VanDerWaalsContact O-CB 3.29Å; L154-I158 WeakPolarHBondContact O-CB 3.12Å; L154-I158 WeakPolarHBondContact O-CG1 3.29Å; L154-I158 PolarHBondContact O-N 3.05Å; E155-I158 CarbonylContact O-C 3.58Å; I158-G160 VanDerWaalsContact C-N 3.3Å; I158-G160 PolarHBondContact O-N 3.12Å
159G81.6Confident89.3Confident2 Ų227.5 Ų27.52%0.02116%0.163CC..THydrogen-bonded Turntrans90.6-33.2172.200000115.2S164G159-S164 WeakPolarHBondContact O-CB 3.17Å; G159-S164 PolarHBondContact O-OG 3.43Å
160G84.6Confident89.1Confident3 Ų327.9 Ų27.93%0.03117%0.167CC..THydrogen-bonded Turntrans80.222.9174.600000115.2S104 E155 I158 S164S104-G160 WeakPolarHBondContact OG-CA 3.42Å; S104-G160 PolarHBondContact OG-N 3.45Å; E155-G160 PolarHBondContact O-N 2.95Å; I158-G160 VanDerWaalsContact C-N 3.3Å; I158-G160 PolarHBondContact O-N 3.12Å; G160-S164 PolarHBondContact O-N 3.46Å
161G86.8Confident89Confident2 Ų227.3 Ų27.32%0.02116%0.157CC..Hα-helixtrans68.7-166.5171.300000116E128 E155 L163 S164 A165E128-G161 WeakPolarHBondContact OE1-CA 3.49Å; E155-G161 VanDerWaalsContact OE1-CA 3.26Å; E155-G161 WeakPolarHBondContact OE1-CA 3.21Å; G161-L163 PolarHBondContact O-N 3.34Å; G161-S164 WeakPolarHBondContact O-CB 3.27Å; G161-S164 PolarHBondContact O-N 2.92Å; G161-A165 PolarHBondContact O-N 3.4Å
162L85.1Confident88.9Confident40 Ų4027.2 Ų27.221%0.20916%0.156CC..Hα-helixtrans-49.3-31.6173.2-69.2179.6000113.8F34 Y35 V38 E128 A165 I166 L212F34-L162 HydrophobicContact CD1-CD2 4.45Å; F34-L162 HydrophobicContact CE1-CD2 3.72Å; F34-L162 HydrophobicContact CZ-CD2 4.39Å; Y35-L162 HydrophobicContact CD1-CD2 3.69Å; Y35-L162 HydrophobicContact CE1-CD2 3.76Å; Y35-L162 HydrophobicContact CG-CD2 4.44Å; V38-L162 HydrophobicContact CB-CD2 3.82Å; V38-L162 HydrophobicContact CB-CG 4.41Å; V38-L162 HydrophobicContact CG1-CD1 3.9Å; V38-L162 HydrophobicContact CG1-CD2 3.56Å; V38-L162 HydrophobicContact CG1-CG 3.61Å; V38-L162 HydrophobicContact CG2-CD2 4.2Å; E128-L162 PolarHBondContact OE1-N 2.93Å; L162-A165 WeakPolarHBondContact O-CB 3.46Å; L162-A165 PolarHBondContact O-N 3.09Å; L162-I166 PolarHBondContact O-N 2.93Å; L162-I166 VanDerWaalsContact O-N 3.11Å; L162-L212 HydrophobicContact CD1-CD2 4.49Å
163L79.9Confident88.7Confident37 Ų3726.9 Ų26.919%0.19416%0.155CC..Hα-helixtrans-65.8-41.7-179.1-61-172.2000112.4T105 G161 A165 I166 R482T105-L163 HydrophobicContact CG2-CB 4.39Å; G161-L163 PolarHBondContact O-N 3.34Å; L163-A165 VanDerWaalsContact C-N 3.32Å; L163-I166 WeakPolarHBondContact O-CG2 3.28Å; L163-R482 VanDerWaalsContact CD2-CZ 3.45Å
164S86.9Confident88.5Confident2 Ų225.9 Ų25.91%0.01415%0.149CC..Hα-helixtrans-70.3-36.2174-1670000110.1L124 G159 G160 G161 A167 Q168L124-S164 VanDerWaalsContact CD1-C 3.49Å; G159-S164 WeakPolarHBondContact O-CB 3.17Å; G159-S164 PolarHBondContact O-OG 3.43Å; G160-S164 PolarHBondContact O-N 3.46Å; G161-S164 WeakPolarHBondContact O-CB 3.27Å; G161-S164 PolarHBondContact O-N 2.92Å; S164-A167 WeakPolarHBondContact O-CB 3.25Å; S164-A167 PolarHBondContact O-N 2.88Å; S164-Q168 WeakPolarHBondContact O-CG 3.35Å; S164-Q168 PolarHBondContact O-N 2.92Å
165A90.7Very high88.2Confident0 Ų023.3 Ų23.30%014%0.135CC..Hα-helixtrans-61.6-52.5-175.600000111.5F34 L124 G161 L162 L163 A167 Q168 F169F34-A165 HydrophobicContact CD1-CB 4.3Å; F34-A165 HydrophobicContact CE1-CB 3.33Å; F34-A165 HydrophobicContact CZ-CB 3.7Å; L124-A165 HydrophobicContact CD1-CB 3.79Å; L124-A165 HydrophobicContact CD2-CB 3.91Å; L124-A165 HydrophobicContact CG-CB 4.45Å; G161-A165 PolarHBondContact O-N 3.4Å; L162-A165 WeakPolarHBondContact O-CB 3.46Å; L162-A165 PolarHBondContact O-N 3.09Å; L163-A165 VanDerWaalsContact C-N 3.32Å; A165-A167 PolarHBondContact O-N 2.91Å; A165-Q168 PolarHBondContact O-N 2.98Å; A165-F169 HydrophobicContact CB-CD2 4.27Å; A165-F169 HydrophobicContact CB-CE2 4.11Å; A165-F169 WeakPolarHBondContact O-CD2 3.1Å; A165-F169 PolarHBondContact O-N 3.37Å
166I88.7Confident87.8Confident30 Ų3023.2 Ų23.215%0.15414%0.135CC..Hα-helixtrans-58.6-37.4179.1-165.468.5000111.6Y35 L162 L163 S170Y35-I166 VanDerWaalsContact OH-CA 3.3Å; Y35-I166 WeakPolarHBondContact OH-CA 3.31Å; Y35-I166 VanDerWaalsContact OH-CB 3.27Å; Y35-I166 WeakPolarHBondContact OH-CB 3.15Å; Y35-I166 WeakPolarHBondContact OH-CD1 3.26Å; Y35-I166 PolarHBondContact OH-N 3.49Å; L162-I166 PolarHBondContact O-N 2.93Å; L162-I166 VanDerWaalsContact O-N 3.11Å; L163-I166 WeakPolarHBondContact O-CG2 3.28Å; I166-S170 WeakPolarHBondContact O-CB 3.34Å; I166-S170 PolarHBondContact O-N 2.95Å; I166-S170 PolarHBondContact O-OG 2.95Å
167A88.3Confident87.5Confident45 Ų4523.5 Ų23.537%0.37214%0.137SC..Hα-helixtrans-67.2-48.2177.900000111.1S164 A165 S170 V171S164-A167 WeakPolarHBondContact O-CB 3.25Å; S164-A167 PolarHBondContact O-N 2.88Å; A165-A167 PolarHBondContact O-N 2.91Å; A167-S170 PolarHBondContact O-N 3.49Å; A167-V171 WeakPolarHBondContact O-CB 3.37Å; A167-V171 VanDerWaalsContact O-CG2 3.24Å; A167-V171 WeakPolarHBondContact O-CG2 3.07Å; A167-V171 PolarHBondContact O-N 3.01Å
168Q91.3Very high86.8Confident7 Ų720.3 Ų20.33%0.03312%0.12CC..Hα-helixtrans-65.7-43.1-179.5-64.1-51.6-40.200112.4V108 S112 L121 S164 A165 S170 V171 C172V108-Q168 HydrophobicContact CG1-CG 4.17Å; S112-Q168 PolarHBondContact OG-OE1 3.46Å; L121-Q168 HydrophobicContact CD2-CB 3.61Å; L121-Q168 HydrophobicContact CG-CB 4.28Å; S164-Q168 WeakPolarHBondContact O-CG 3.35Å; S164-Q168 PolarHBondContact O-N 2.92Å; A165-Q168 PolarHBondContact O-N 2.98Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 3.09Å; Q168-V171 PolarHBondContact O-N 2.8Å; Q168-C172 PolarHBondContact O-N 3.29Å; Q168-C172 PolarHBondContact O-SG 2.92Å
169F92.3Very high86.1Confident0 Ų019.5 Ų19.50%011%0.113CC..Hα-helixtrans-61-42.2174.3-72.8-59.9000111.8L27 M30 V31 F34 Y35 L121 A165 V171 C172 I173 I204L27-F169 HydrophobicContact CD2-CD1 4.09Å; L27-F169 HydrophobicContact CD2-CE1 4.3Å; M30-F169 HydrophobicContact CB-CE1 4.38Å; V31-F169 HydrophobicContact CG2-CD1 3.77Å; V31-F169 HydrophobicContact CG2-CD2 3.97Å; V31-F169 HydrophobicContact CG2-CE1 3.84Å; V31-F169 HydrophobicContact CG2-CE2 4.04Å; V31-F169 HydrophobicContact CG2-CG 3.86Å; V31-F169 HydrophobicContact CG2-CZ 3.98Å; F34-F169 HydrophobicContact CD1-CE2 4.15Å; Y35-F169 HydrophobicContact CE2-CD2 4.29Å; Y35-F169 HydrophobicContact CE2-CE2 4.26Å; L121-F169 HydrophobicContact CD2-CD1 4.32Å; L121-F169 HydrophobicContact CD2-CE1 4.14Å; L121-F169 HydrophobicContact CD2-CZ 4.36Å; A165-F169 HydrophobicContact CB-CD2 4.27Å; A165-F169 HydrophobicContact CB-CE2 4.11Å; A165-F169 WeakPolarHBondContact O-CD2 3.1Å; A165-F169 PolarHBondContact O-N 3.37Å; F169-V171 VanDerWaalsContact C-N 3.34Å; F169-V171 PolarHBondContact O-N 3.28Å; F169-C172 PolarHBondContact O-N 2.89Å; F169-I173 PolarHBondContact O-N 3.46Å; F169-I173 VanDerWaalsContact O-N 3.14Å; F169-I204 HydrophobicContact CB-CG2 4.28Å
170S89.7Confident85.6Confident34 Ų3425.1 Ų25.124%0.23814%0.143CC..Hα-helixtrans-65.2-36.5177.7-63.30000112.9I166 A167 Q168 T174I166-S170 WeakPolarHBondContact O-CB 3.34Å; I166-S170 PolarHBondContact O-N 2.95Å; I166-S170 PolarHBondContact O-OG 2.95Å; A167-S170 PolarHBondContact O-N 3.49Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-S170 PolarHBondContact O-N 3.09Å; S170-T174 WeakPolarHBondContact O-CB 3.44Å; S170-T174 PolarHBondContact O-N 3.44Å; S170-T174 PolarHBondContact O-OG1 3.42Å
171V90.6Very high84.8Confident46 Ų4627.5 Ų27.528%0.27915%0.153SC..Hα-helixtrans-69.5-41.9176.7171.20000110.7A167 Q168 F169 I173 T174 D175A167-V171 WeakPolarHBondContact O-CB 3.37Å; A167-V171 VanDerWaalsContact O-CG2 3.24Å; A167-V171 WeakPolarHBondContact O-CG2 3.07Å; A167-V171 PolarHBondContact O-N 3.01Å; Q168-V171 PolarHBondContact O-N 2.8Å; F169-V171 VanDerWaalsContact C-N 3.34Å; F169-V171 PolarHBondContact O-N 3.28Å; V171-I173 VanDerWaalsContact C-N 3.33Å; V171-I173 PolarHBondContact O-N 3.28Å; V171-T174 WeakPolarHBondContact O-CA 3.32Å; V171-T174 WeakPolarHBondContact O-CB 3.22Å; V171-T174 PolarHBondContact O-N 2.95Å; V171-D175 PolarHBondContact O-N 3.18Å
172C90.6Very high84Confident0 Ų029 Ų290%016%0.161CC..Hα-helixtrans-57.6-44174.4-64.80000112L27 Q168 F169 T174 D175 L176L27-C172 HydrophobicContact CD1-CB 3.83Å; L27-C172 HydrophobicContact CD2-CB 4.29Å; Q168-C172 PolarHBondContact O-N 3.29Å; Q168-C172 PolarHBondContact O-SG 2.92Å; F169-C172 PolarHBondContact O-N 2.89Å; C172-T174 VanDerWaalsContact C-N 3.32Å; C172-T174 PolarHBondContact O-N 2.73Å; C172-D175 PolarHBondContact O-N 3.36Å; C172-L176 VanDerWaalsContact O-CG 3.26Å; C172-L176 WeakPolarHBondContact O-CG 3.31Å; C172-L176 PolarHBondContact O-N 3.25Å; C172-L176 VanDerWaalsContact O-N 3.1Å
173I89Confident83.3Confident6 Ų633 Ų333%0.03118%0.177CC..Hα-helixtrans-62.3-42.9173.9-66.1166.3000111.2F169 V171 D175 L176 T177 F200 L201 I204F169-I173 PolarHBondContact O-N 3.46Å; F169-I173 VanDerWaalsContact O-N 3.14Å; V171-I173 VanDerWaalsContact C-N 3.33Å; V171-I173 PolarHBondContact O-N 3.28Å; I173-D175 VanDerWaalsContact C-N 3.29Å; I173-D175 PolarHBondContact O-N 2.69Å; I173-L176 PolarHBondContact O-N 3.3Å; I173-T177 HydrophobicContact CG2-CG2 4.36Å; I173-T177 WeakPolarHBondContact O-CB 3.49Å; I173-T177 PolarHBondContact O-N 3.03Å; I173-T177 PolarHBondContact O-OG1 2.84Å; I173-F200 HydrophobicContact CD1-CB 4.33Å; I173-F200 WeakPolarHBondContact CD1-O 3.05Å; I173-F200 HydrophobicContact CG2-CB 3.59Å; I173-L201 HydrophobicContact CB-CD2 4.17Å; I173-L201 HydrophobicContact CD1-CD2 4.04Å; I173-L201 HydrophobicContact CG2-CD2 4.25Å; I173-L201 HydrophobicContact CG2-CG 4.21Å; I173-I204 HydrophobicContact CD1-CB 3.9Å; I173-I204 HydrophobicContact CD1-CD1 3.23Å; I173-I204 HydrophobicContact CD1-CG1 3.6Å; I173-I204 HydrophobicContact CG1-CD1 3.82Å
174T87.2Confident82.7Confident28 Ų2840.7 Ų40.717%0.17221%0.208CC..Hα-helixtrans-61.2-41-178.5-65.30000111.1S170 V171 C172 T177 N178 R197S170-T174 WeakPolarHBondContact O-CB 3.44Å; S170-T174 PolarHBondContact O-N 3.44Å; S170-T174 PolarHBondContact O-OG1 3.42Å; V171-T174 WeakPolarHBondContact O-CA 3.32Å; V171-T174 WeakPolarHBondContact O-CB 3.22Å; V171-T174 PolarHBondContact O-N 2.95Å; C172-T174 VanDerWaalsContact C-N 3.32Å; C172-T174 PolarHBondContact O-N 2.73Å; T174-T177 CarbonylContact O-C 3.49Å; T174-T177 PolarHBondContact O-N 2.92Å; T174-T177 PolarHBondContact O-OG1 3.41Å; T174-N178 WeakPolarHBondContact O-CB 3.28Å; T174-N178 PolarHBondContact O-N 2.71Å; T174-R197 PolarHBondContact OG1-NE 3.1Å; T174-R197 VanDerWaalsContact OG1-NE 3.16Å; T174-R197 PolarHBondContact OG1-NH2 3.28Å
175D85.5Confident81.8Confident14 Ų1444.7 Ų44.78%0.07524%0.237CC..Hα-helixtrans-65.6-44.8176.4-70.7-17000110.8R117 V171 C172 I173 T177 N178 Q181R117-D175 IonicContact CZ-OD2 2.71Å; R117-D175 IonicContact NE-OD2 3.25Å; R117-D175 PolarHBondContact NE-OD2 2.91Å; R117-D175 IonicContact NH2-OD1 3.04Å; R117-D175 IonicContact NH2-OD2 3.09Å; R117-D175 PolarHBondContact NH2-OD2 3.08Å; V171-D175 PolarHBondContact O-N 3.18Å; C172-D175 PolarHBondContact O-N 3.36Å; I173-D175 VanDerWaalsContact C-N 3.29Å; I173-D175 PolarHBondContact O-N 2.69Å; D175-T177 PolarHBondContact O-N 2.71Å; D175-T177 VanDerWaalsContact O-N 3.15Å; D175-N178 WeakPolarHBondContact O-CB 3.41Å; D175-N178 PolarHBondContact O-N 2.64Å; D175-Q181 PolarHBondContact O-OE1 2.98Å
176L83.1Confident80.6Confident18 Ų1846.2 Ų46.29%0.09425%0.246CC..Hα-helixtrans-65.4-16.4176.4-67.7169000114.5D20 V23 I24 L27 C172 I173 T252D20-L176 HydrophobicContact CB-CD2 4.44Å; V23-L176 HydrophobicContact CB-CD1 4.16Å; V23-L176 HydrophobicContact CB-CD2 4.27Å; V23-L176 HydrophobicContact CG1-CD1 3.85Å; V23-L176 HydrophobicContact CG1-CD2 4.31Å; V23-L176 HydrophobicContact CG2-CD2 4.48Å; I24-L176 HydrophobicContact CG1-CD1 3.83Å; L27-L176 HydrophobicContact CD1-CD1 3.89Å; C172-L176 VanDerWaalsContact O-CG 3.26Å; C172-L176 WeakPolarHBondContact O-CG 3.31Å; C172-L176 PolarHBondContact O-N 3.25Å; C172-L176 VanDerWaalsContact O-N 3.1Å; I173-L176 PolarHBondContact O-N 3.3Å; L176-T252 HydrophobicContact CD1-CG2 4.39Å; L176-T252 HydrophobicContact CD2-CG2 4.02Å; L176-T252 HydrophobicContact CG-CG2 4.15Å
177T82.8Confident79.9Confident7 Ų750.2 Ų50.24%0.04328%0.277CS..THydrogen-bonded Turntrans-118.314.7-17955.60000112.5I173 T174 D175 Y179 R197 F200I173-T177 HydrophobicContact CG2-CG2 4.36Å; I173-T177 WeakPolarHBondContact O-CB 3.49Å; I173-T177 PolarHBondContact O-N 3.03Å; I173-T177 PolarHBondContact O-OG1 2.84Å; T174-T177 CarbonylContact O-C 3.49Å; T174-T177 PolarHBondContact O-N 2.92Å; T174-T177 PolarHBondContact O-OG1 3.41Å; D175-T177 PolarHBondContact O-N 2.71Å; D175-T177 VanDerWaalsContact O-N 3.15Å; T177-Y179 PolarHBondContact O-N 3.23Å; T177-R197 HydrophobicContact CG2-CB 4.29Å; T177-R197 VanDerWaalsContact OG1-CB 3.28Å; T177-R197 WeakPolarHBondContact OG1-CB 3.42Å; T177-R197 VanDerWaalsContact OG1-CG 3.25Å; T177-R197 WeakPolarHBondContact OG1-CG 3.48Å; T177-F200 HydrophobicContact CG2-CD2 4.06Å
178N79Confident79.3Confident40 Ų4050.3 Ų50.321%0.21427%0.27CS..  trans-73.1111.3-177.8-168.6-13.8000111.1T174 D175 D180 Q181 L182T174-N178 WeakPolarHBondContact O-CB 3.28Å; T174-N178 PolarHBondContact O-N 2.71Å; D175-N178 WeakPolarHBondContact O-CB 3.41Å; D175-N178 PolarHBondContact O-N 2.64Å; N178-D180 VanDerWaalsContact C-N 3.3Å; N178-D180 PolarHBondContact O-N 2.99Å; N178-D180 PolarHBondContact OD1-N 3.34Å; N178-D180 VanDerWaalsContact OD1-N 3.15Å; N178-Q181 HydrophobicContact CB-CB 4.44Å; N178-Q181 HydrophobicContact CB-CG 4.14Å; N178-Q181 PolarHBondContact O-N 3.08Å; N178-L182 WeakPolarHBondContact O-CG 3.31Å; N178-L182 PolarHBondContact O-N 3.01Å
179Y73.7Confident78.6Confident48 Ų4853.6 Ų53.619%0.18829%0.292CS..Hα-helixtrans-57-40.7179.3176.9-104.8000112.8T177 Q181 L182 K183 K190 Y193T177-Y179 PolarHBondContact O-N 3.23Å; Y179-Q181 PolarHBondContact O-N 3.41Å; Y179-L182 PolarHBondContact O-N 3.43Å; Y179-L182 VanDerWaalsContact O-N 3.13Å; Y179-K183 HydrophobicContact CE1-CB 4.2Å; Y179-K183 HydrophobicContact CE1-CD 3.85Å; Y179-K183 HydrophobicContact CE1-CG 4.21Å; Y179-K183 HydrophobicContact CE2-CB 4.34Å; Y179-K183 VanDerWaalsContact O-CB 3.24Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 2.92Å; Y179-K190 HydrophobicContact CD1-CB 4.26Å; Y179-K190 HydrophobicContact CD1-CD 4.26Å; Y179-K190 HydrophobicContact CD1-CG 3.84Å; Y179-K190 HydrophobicContact CD2-CB 4.15Å; Y179-K190 HydrophobicContact CD2-CG 4.21Å; Y179-K190 HydrophobicContact CE1-CB 4.12Å; Y179-K190 HydrophobicContact CE1-CD 4.48Å; Y179-K190 HydrophobicContact CE1-CG 4.17Å; Y179-K190 HydrophobicContact CE2-CB 4.04Å; Y179-K190 HydrophobicContact CG-CB 4.24Å; Y179-K190 HydrophobicContact CG-CG 3.84Å; Y179-Y193 AromaticContact CD2-CD2 3.61Å; Y179-Y193 HydrophobicContact CD2-CD2 3.61Å; Y179-Y193 HydrophobicContact CD2-CE2 4.17Å; Y179-Y193 HydrophobicContact CD2-CG 4.24Å; Y179-Y193 HydrophobicContact CE2-CD2 4.2Å
180D72.1Confident78Confident120 Ų12058.6 Ų58.664%0.64231%0.314SS*.Hα-helixtrans-66.1-29.9-174.1-65-31.6000112.1N178N178-D180 VanDerWaalsContact C-N 3.3Å; N178-D180 PolarHBondContact O-N 2.99Å; N178-D180 PolarHBondContact OD1-N 3.34Å; N178-D180 VanDerWaalsContact OD1-N 3.15Å
181Q67.4Low77.3Confident53 Ų5360.7 Ų60.725%0.24833%0.328CS..Hα-helixtrans-75.9-43.1173.3-62.6179.42.600111.3D175 N178 Y179 I255D175-Q181 PolarHBondContact O-OE1 2.98Å; N178-Q181 HydrophobicContact CB-CB 4.44Å; N178-Q181 HydrophobicContact CB-CG 4.14Å; N178-Q181 PolarHBondContact O-N 3.08Å; Y179-Q181 PolarHBondContact O-N 3.41Å; Q181-I255 HydrophobicContact CG-CD1 4.18Å; Q181-I255 HydrophobicContact CG-CG1 4.31Å; Q181-I255 VanDerWaalsContact NE2-CG1 3.28Å
182L70.9Confident76.7Confident33 Ų3362 Ų6217%0.17334%0.336CS..Hα-helixtrans-83.7-18.4-172.9-65.7169.8000114.2N178 Y179 K184 S185 T186 Y193N178-L182 WeakPolarHBondContact O-CG 3.31Å; N178-L182 PolarHBondContact O-N 3.01Å; Y179-L182 PolarHBondContact O-N 3.43Å; Y179-L182 VanDerWaalsContact O-N 3.13Å; L182-K184 PolarHBondContact O-N 2.79Å; L182-S185 PolarHBondContact O-N 3.44Å; L182-T186 PolarHBondContact O-N 2.94Å; L182-T186 PolarHBondContact O-OG1 3.11Å; L182-T186 VanDerWaalsContact O-OG1 3.05Å; L182-Y193 HydrophobicContact CB-CE1 4.16Å; L182-Y193 HydrophobicContact CD1-CD1 3.9Å; L182-Y193 HydrophobicContact CD1-CE1 3.47Å; L182-Y193 VanDerWaalsContact CD1-CE1 3.47Å; L182-Y193 HydrophobicContact CG-CE1 4.43Å
183K70Confident76.1Confident126 Ų12662.9 Ų62.955%0.54834%0.34SS..THydrogen-bonded Turntrans-57.7-32.6176.6-177.2-175179.2-173.10111.8Y179 S185Y179-K183 HydrophobicContact CE1-CB 4.2Å; Y179-K183 HydrophobicContact CE1-CD 3.85Å; Y179-K183 HydrophobicContact CE1-CG 4.21Å; Y179-K183 HydrophobicContact CE2-CB 4.34Å; Y179-K183 VanDerWaalsContact O-CB 3.24Å; Y179-K183 WeakPolarHBondContact O-CB 3.35Å; Y179-K183 PolarHBondContact O-N 2.92Å; K183-S185 PolarHBondContact O-N 3.32Å
184K67.9Low75.6Confident197 Ų19766.7 Ų66.786%0.85736%0.357SS*.THydrogen-bonded Turntrans-62.7-25.1176.3-69.3-175.9179.5-179.70112.7L182L182-K184 PolarHBondContact O-N 2.79Å
185S66.2Low75.2Confident87 Ų8774.3 Ų74.361%0.60838%0.383SS*.THydrogen-bonded Turntrans-106.9-12.4-173.4-56.70000114L182 K183L182-S185 PolarHBondContact O-N 3.44Å; K183-S185 PolarHBondContact O-N 3.32Å
186T67.2Low75Confident31 Ų3177.1 Ų77.119%0.1939%0.393CS..  trans-147.7149.3-170.360.80000113.4L182 Y193L182-T186 PolarHBondContact O-N 2.94Å; L182-T186 PolarHBondContact O-OG1 3.11Å; L182-T186 VanDerWaalsContact O-OG1 3.05Å; T186-Y193 PolarHBondContact OG1-OH 3.41Å
187S73.2Confident75.1Confident115 Ų11581.1 Ų81.180%0.80441%0.406SS*.  trans-93.511.2174.355.50000113.7
188I75.2Confident75Confident47 Ų4789.2 Ų89.224%0.24144%0.436CS..  trans-70.8137.2-175.3-63.9169.8000109.8V192 Y193I188-V192 HydrophobicContact CG2-CB 3.76Å; I188-V192 HydrophobicContact CG2-CG1 3.87Å; I188-V192 HydrophobicContact CG2-CG2 4.31Å; I188-Y193 HydrophobicContact CB-CD2 4.42Å; I188-Y193 HydrophobicContact CB-CE2 3.71Å; I188-Y193 HydrophobicContact CG2-CD2 4.07Å; I188-Y193 HydrophobicContact CG2-CE2 3.78Å
189P78.1Confident75.3Confident75 Ų7592 Ų9249%0.48745%0.45SS..  trans-62.9144.5-179.923.6-33.7000112.8S191 V192P189-S191 PolarHBondContact O-N 2.78Å; P189-S191 VanDerWaalsContact O-N 3.12Å; P189-V192 HydrophobicContact CG-CG2 3.85Å; P189-V192 PolarHBondContact O-N 2.72Å
190K77.7Confident75.9Confident105 Ų10591.4 Ų91.446%0.45745%0.449SS..Hα-helixtrans-51.1-37.6-179.8-169.8-174.3-172.7-133.60113.7Y179 V192 Y193 E194Y179-K190 HydrophobicContact CD1-CB 4.26Å; Y179-K190 HydrophobicContact CD1-CD 4.26Å; Y179-K190 HydrophobicContact CD1-CG 3.84Å; Y179-K190 HydrophobicContact CD2-CB 4.15Å; Y179-K190 HydrophobicContact CD2-CG 4.21Å; Y179-K190 HydrophobicContact CE1-CB 4.12Å; Y179-K190 HydrophobicContact CE1-CD 4.48Å; Y179-K190 HydrophobicContact CE1-CG 4.17Å; Y179-K190 HydrophobicContact CE2-CB 4.04Å; Y179-K190 HydrophobicContact CG-CB 4.24Å; Y179-K190 HydrophobicContact CG-CG 3.84Å; K190-V192 VanDerWaalsContact C-N 3.27Å; K190-V192 PolarHBondContact O-N 3.26Å; K190-Y193 PolarHBondContact O-N 2.75Å; K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 HydrophobicContact CG-CG 4.36Å; K190-E194 IonicContact NZ-OE1 3.43Å; K190-E194 PolarHBondContact NZ-OE1 3.07Å; K190-E194 PolarHBondContact O-N 2.87Å
191S75.6Confident76.6Confident78 Ų7887.4 Ų87.455%0.54543%0.427SS..Hα-helixtrans-61.1-32.3-179.156.40000113.4P189 R195P189-S191 PolarHBondContact O-N 2.78Å; P189-S191 VanDerWaalsContact O-N 3.12Å; S191-R195 VanDerWaalsContact O-CB 3.28Å; S191-R195 WeakPolarHBondContact O-CB 3.25Å; S191-R195 PolarHBondContact O-N 3.43Å
192V79.3Confident77.4Confident74 Ų7488.4 Ų88.445%0.44844%0.437SS..Hα-helixtrans-70.7-41.9177.91740000110.5I188 P189 K190 R195 R196I188-V192 HydrophobicContact CG2-CB 3.76Å; I188-V192 HydrophobicContact CG2-CG1 3.87Å; I188-V192 HydrophobicContact CG2-CG2 4.31Å; P189-V192 HydrophobicContact CG-CG2 3.85Å; P189-V192 PolarHBondContact O-N 2.72Å; K190-V192 VanDerWaalsContact C-N 3.27Å; K190-V192 PolarHBondContact O-N 3.26Å; V192-R195 PolarHBondContact O-N 2.85Å; V192-R196 VanDerWaalsContact O-CB 3.31Å; V192-R196 WeakPolarHBondContact O-CB 3.16Å; V192-R196 PolarHBondContact O-N 2.88Å
193Y77.9Confident78.2Confident18 Ų1890.5 Ų90.57%0.07145%0.448CS..Hα-helixtrans-66.1-44.1175.3-78.7-75.6000112.4Y179 L182 T186 I188 K190 R196 R197Y179-Y193 AromaticContact CD2-CD2 3.61Å; Y179-Y193 HydrophobicContact CD2-CD2 3.61Å; Y179-Y193 HydrophobicContact CD2-CE2 4.17Å; Y179-Y193 HydrophobicContact CD2-CG 4.24Å; Y179-Y193 HydrophobicContact CE2-CD2 4.2Å; L182-Y193 HydrophobicContact CB-CE1 4.16Å; L182-Y193 HydrophobicContact CD1-CD1 3.9Å; L182-Y193 HydrophobicContact CD1-CE1 3.47Å; L182-Y193 VanDerWaalsContact CD1-CE1 3.47Å; L182-Y193 HydrophobicContact CG-CE1 4.43Å; T186-Y193 PolarHBondContact OG1-OH 3.41Å; I188-Y193 HydrophobicContact CB-CD2 4.42Å; I188-Y193 HydrophobicContact CB-CE2 3.71Å; I188-Y193 HydrophobicContact CG2-CD2 4.07Å; I188-Y193 HydrophobicContact CG2-CE2 3.78Å; K190-Y193 PolarHBondContact O-N 2.75Å; Y193-R196 PolarHBondContact O-N 3.3Å; Y193-R197 PolarHBondContact O-N 2.74Å
194E78.2Confident79.1Confident86 Ų8684.7 Ų84.740%0.40242%0.423SS..Hα-helixtrans-60.1-47.7175.1-72.4179.4176.800110.9K190 R196 R197 W198K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 HydrophobicContact CG-CG 4.36Å; K190-E194 IonicContact NZ-OE1 3.43Å; K190-E194 PolarHBondContact NZ-OE1 3.07Å; K190-E194 PolarHBondContact O-N 2.87Å; E194-R196 VanDerWaalsContact C-N 3.29Å; E194-R196 PolarHBondContact O-N 3.16Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.36Å; E194-W198 PolarHBondContact O-N 3.35Å
195R79Confident79.9Confident188 Ų18879.4 Ų79.471%0.70940%0.404SS*.Hα-helixtrans-57.6-42.6175.4-177.6177.6178.3-177.4-0.8111.9S191 V192 W198 I199S191-R195 VanDerWaalsContact O-CB 3.28Å; S191-R195 WeakPolarHBondContact O-CB 3.25Å; S191-R195 PolarHBondContact O-N 3.43Å; V192-R195 PolarHBondContact O-N 2.85Å; R195-W198 PolarHBondContact O-N 2.95Å; R195-I199 HydrophobicContact CG-CD1 4.14Å; R195-I199 WeakPolarHBondContact O-CG1 3.23Å; R195-I199 PolarHBondContact O-N 3.17Å
196R80.8Confident80.9Confident74 Ų7476.5 Ų76.528%0.27939%0.388SS..Hα-helixtrans-64.8-42.7178.2-173.9174.6-172.7-176.5-3.1112.3L16 V192 Y193 E194 W198 I199 F200L16-R196 VanDerWaalsContact CD1-CZ 3.44Å; V192-R196 VanDerWaalsContact O-CB 3.31Å; V192-R196 WeakPolarHBondContact O-CB 3.16Å; V192-R196 PolarHBondContact O-N 2.88Å; Y193-R196 PolarHBondContact O-N 3.3Å; E194-R196 VanDerWaalsContact C-N 3.29Å; E194-R196 PolarHBondContact O-N 3.16Å; R196-W198 VanDerWaalsContact C-N 3.33Å; R196-W198 PolarHBondContact O-N 3.45Å; R196-I199 PolarHBondContact O-N 3.29Å; R196-F200 HydrophobicContact CG-CD2 3.85Å; R196-F200 HydrophobicContact CG-CE2 3.54Å; R196-F200 VanDerWaalsContact NE-CE2 3.33Å; R196-F200 WeakPolarHBondContact O-CD2 3.3Å; R196-F200 PolarHBondContact O-N 3.1Å
197R84.7Confident82.1Confident101 Ų10176.7 Ų76.738%0.38139%0.387SS..Hα-helixtrans-56.3-48.4173178.7174.6170.2-168.5-2.9111.1T174 T177 Y193 E194 I199 F200 L201T174-R197 PolarHBondContact OG1-NE 3.1Å; T174-R197 VanDerWaalsContact OG1-NE 3.16Å; T174-R197 PolarHBondContact OG1-NH2 3.28Å; T177-R197 HydrophobicContact CG2-CB 4.29Å; T177-R197 VanDerWaalsContact OG1-CB 3.28Å; T177-R197 WeakPolarHBondContact OG1-CB 3.42Å; T177-R197 VanDerWaalsContact OG1-CG 3.25Å; T177-R197 WeakPolarHBondContact OG1-CG 3.48Å; Y193-R197 PolarHBondContact O-N 2.74Å; E194-R197 WeakPolarHBondContact O-CB 3.39Å; E194-R197 PolarHBondContact O-N 3.36Å; R197-I199 VanDerWaalsContact C-N 3.34Å; R197-I199 PolarHBondContact O-N 3.17Å; R197-F200 PolarHBondContact O-N 2.96Å; R197-L201 HydrophobicContact CG-CD1 3.79Å; R197-L201 HydrophobicContact CG-CG 4.31Å; R197-L201 WeakPolarHBondContact O-CB 3.18Å; R197-L201 VanDerWaalsContact O-CG 3.31Å; R197-L201 WeakPolarHBondContact O-CG 3.3Å; R197-L201 PolarHBondContact O-N 3.4Å
198W81.9Confident82.9Confident178 Ų17871.4 Ų71.467%0.67435%0.351SS*.Hα-helixtrans-58.3-45.4177-79.8107.5000112E194 R195 R196 F200 L201 T202E194-W198 PolarHBondContact O-N 3.35Å; R195-W198 PolarHBondContact O-N 2.95Å; R196-W198 VanDerWaalsContact C-N 3.33Å; R196-W198 PolarHBondContact O-N 3.45Å; W198-F200 PolarHBondContact O-N 3.5Å; W198-L201 PolarHBondContact O-N 3.4Å; W198-T202 WeakPolarHBondContact O-CB 3.37Å; W198-T202 PolarHBondContact O-N 2.75Å; W198-T202 PolarHBondContact O-OG1 3.1Å
199I84.6Confident83.5Confident97 Ų9770.7 Ų70.750%0.49735%0.35SS..Hα-helixtrans-59-46.9178.2-68.7164.2000111.4R195 R196 R197 T202 L203R195-I199 HydrophobicContact CG-CD1 4.14Å; R195-I199 WeakPolarHBondContact O-CG1 3.23Å; R195-I199 PolarHBondContact O-N 3.17Å; R196-I199 PolarHBondContact O-N 3.29Å; R197-I199 VanDerWaalsContact C-N 3.34Å; R197-I199 PolarHBondContact O-N 3.17Å; I199-T202 PolarHBondContact O-N 3.13Å; I199-L203 WeakPolarHBondContact O-CB 3.29Å; I199-L203 PolarHBondContact O-N 3.27Å
200F86.1Confident84.1Confident37 Ų3771 Ų7116%0.16235%0.347CS..Hα-helixtrans-70.4-37.8-179.6-73.1-54.7000113.5I24 I173 T177 R196 R197 W198 T202 L203 I204I24-F200 HydrophobicContact CD1-CD2 4.38Å; I24-F200 HydrophobicContact CD1-CE1 4.27Å; I24-F200 HydrophobicContact CD1-CE2 3.81Å; I24-F200 HydrophobicContact CD1-CZ 3.78Å; I24-F200 HydrophobicContact CG2-CD1 4.2Å; I24-F200 HydrophobicContact CG2-CE1 3.95Å; I24-F200 HydrophobicContact CG2-CZ 4.48Å; I173-F200 HydrophobicContact CD1-CB 4.33Å; I173-F200 WeakPolarHBondContact CD1-O 3.05Å; I173-F200 HydrophobicContact CG2-CB 3.59Å; T177-F200 HydrophobicContact CG2-CD2 4.06Å; R196-F200 HydrophobicContact CG-CD2 3.85Å; R196-F200 HydrophobicContact CG-CE2 3.54Å; R196-F200 VanDerWaalsContact NE-CE2 3.33Å; R196-F200 WeakPolarHBondContact O-CD2 3.3Å; R196-F200 PolarHBondContact O-N 3.1Å; R197-F200 PolarHBondContact O-N 2.96Å; W198-F200 PolarHBondContact O-N 3.5Å; F200-T202 VanDerWaalsContact C-N 3.34Å; F200-L203 HydrophobicContact CD1-CD2 4.38Å; F200-L203 PolarHBondContact O-N 3.12Å; F200-I204 PolarHBondContact O-N 3.17Å
201L87.1Confident84.9Confident35 Ų3566.2 Ų66.218%0.18333%0.326CS..Hα-helixtrans-60.9-45.6173.6-73.1172.2000110.8I173 R197 W198 L203 I204 D205I173-L201 HydrophobicContact CB-CD2 4.17Å; I173-L201 HydrophobicContact CD1-CD2 4.04Å; I173-L201 HydrophobicContact CG2-CD2 4.25Å; I173-L201 HydrophobicContact CG2-CG 4.21Å; R197-L201 HydrophobicContact CG-CD1 3.79Å; R197-L201 HydrophobicContact CG-CG 4.31Å; R197-L201 WeakPolarHBondContact O-CB 3.18Å; R197-L201 VanDerWaalsContact O-CG 3.31Å; R197-L201 WeakPolarHBondContact O-CG 3.3Å; R197-L201 PolarHBondContact O-N 3.4Å; W198-L201 PolarHBondContact O-N 3.4Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 3.03Å; L201-I204 PolarHBondContact O-N 3.3Å; L201-D205 WeakPolarHBondContact O-CB 3.35Å; L201-D205 PolarHBondContact O-N 3.41Å
202T84.5Confident85.7Confident75 Ų7564.4 Ų64.446%0.4631%0.31SS..Hα-helixtrans-64.5-36.1175.4-600000112.2W198 I199 F200 G206W198-T202 WeakPolarHBondContact O-CB 3.37Å; W198-T202 PolarHBondContact O-N 2.75Å; W198-T202 PolarHBondContact O-OG1 3.1Å; I199-T202 PolarHBondContact O-N 3.13Å; F200-T202 VanDerWaalsContact C-N 3.34Å; T202-G206 PolarHBondContact O-N 3.07Å
203L86.5Confident86.3Confident76 Ų7661 Ų6140%0.39829%0.289SS..Hα-helixtrans-65-47.8177.3-179.164.8000112I28 I199 F200 L201 G206 L207I28-L203 HydrophobicContact CD1-CD2 3.8Å; I199-L203 WeakPolarHBondContact O-CB 3.29Å; I199-L203 PolarHBondContact O-N 3.27Å; F200-L203 HydrophobicContact CD1-CD2 4.38Å; F200-L203 PolarHBondContact O-N 3.12Å; L201-L203 VanDerWaalsContact C-N 3.32Å; L201-L203 PolarHBondContact O-N 3.03Å; L203-G206 PolarHBondContact O-N 3.36Å; L203-L207 HydrophobicContact CD1-CD1 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.39Å; L203-L207 HydrophobicContact CG-CD1 4.17Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.39Å
204I88.5Confident87.1Confident5 Ų563.6 Ų63.63%0.02630%0.304CS..Hα-helixtrans-64.2-44.7177.9-76.8-162.7000111.1I28 V31 F169 I173 F200 L201 G206 L207 A208I28-I204 HydrophobicContact CG1-CG1 4.44Å; V31-I204 HydrophobicContact CG1-CG2 4.37Å; V31-I204 HydrophobicContact CG2-CD1 4.19Å; V31-I204 HydrophobicContact CG2-CG2 4.05Å; F169-I204 HydrophobicContact CB-CG2 4.28Å; I173-I204 HydrophobicContact CD1-CB 3.9Å; I173-I204 HydrophobicContact CD1-CD1 3.23Å; I173-I204 HydrophobicContact CD1-CG1 3.6Å; I173-I204 HydrophobicContact CG1-CD1 3.82Å; F200-I204 PolarHBondContact O-N 3.17Å; L201-I204 PolarHBondContact O-N 3.3Å; I204-G206 VanDerWaalsContact C-N 3.34Å; I204-G206 PolarHBondContact O-N 3.21Å; I204-L207 PolarHBondContact O-N 2.82Å; I204-A208 WeakPolarHBondContact O-CB 3.39Å; I204-A208 PolarHBondContact O-N 2.69Å
205D85.8Confident88Confident86 Ų8659.5 Ų59.546%0.4629%0.285SS..Hα-helixtrans-61.1-43.9178.2-16348000111.1L201 L207 A208 C209L201-D205 WeakPolarHBondContact O-CB 3.35Å; L201-D205 PolarHBondContact O-N 3.41Å; D205-L207 PolarHBondContact O-N 3.24Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 3.39Å; D205-C209 PolarHBondContact O-N 3.48Å; D205-C209 PolarHBondContact O-SG 3.47Å
206G87.7Confident88.6Confident26 Ų2651 Ų5127%0.26825%0.254SS..Hα-helixtrans-63.1-41.3175.800000113.6T202 L203 I204 C209 L210T202-G206 PolarHBondContact O-N 3.07Å; L203-G206 PolarHBondContact O-N 3.36Å; I204-G206 VanDerWaalsContact C-N 3.34Å; I204-G206 PolarHBondContact O-N 3.21Å; G206-C209 PolarHBondContact O-N 2.92Å; G206-L210 WeakPolarHBondContact O-CB 3.43Å; G206-L210 PolarHBondContact O-N 3.08Å
207L91Very high89.3Confident35 Ų3550.4 Ų50.418%0.18326%0.255CS..Hα-helixtrans-68.6-35.1176.1-73173.5000112.2I28 V31 I32 L203 I204 D205 S211I28-L207 HydrophobicContact CG2-CD1 3.69Å; V31-L207 HydrophobicContact CG1-CB 4.43Å; I32-L207 HydrophobicContact CD1-CD2 4.26Å; I32-L207 HydrophobicContact CG1-CB 4.46Å; I32-L207 HydrophobicContact CG1-CD2 4.47Å; L203-L207 HydrophobicContact CD1-CD1 4.27Å; L203-L207 HydrophobicContact CD1-CG 4.39Å; L203-L207 HydrophobicContact CG-CD1 4.17Å; L203-L207 WeakPolarHBondContact O-CB 3.33Å; L203-L207 VanDerWaalsContact O-CG 3.29Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.39Å; I204-L207 PolarHBondContact O-N 2.82Å; D205-L207 PolarHBondContact O-N 3.24Å; L207-S211 WeakPolarHBondContact O-CB 3.2Å; L207-S211 PolarHBondContact O-N 3.22Å; L207-S211 PolarHBondContact O-OG 3.06Å
208A90.6Very high89.8Confident4 Ų448.5 Ų48.53%0.03325%0.252CS..Hα-helixtrans-62.7-49.6172.500000110.2V31 Y35 I204 D205 L210 S211 L212V31-A208 HydrophobicContact CG1-CB 4.34Å; Y35-A208 HydrophobicContact CD1-CB 3.99Å; Y35-A208 HydrophobicContact CD2-CB 3.86Å; Y35-A208 HydrophobicContact CE1-CB 3.9Å; Y35-A208 HydrophobicContact CE2-CB 3.78Å; Y35-A208 HydrophobicContact CG-CB 3.98Å; I204-A208 WeakPolarHBondContact O-CB 3.39Å; I204-A208 PolarHBondContact O-N 2.69Å; D205-A208 WeakPolarHBondContact O-CB 3.45Å; D205-A208 PolarHBondContact O-N 3.39Å; A208-L210 VanDerWaalsContact C-N 3.35Å; A208-L210 PolarHBondContact O-N 3.41Å; A208-S211 WeakPolarHBondContact CA-OG 3.26Å; A208-S211 PolarHBondContact O-N 3.42Å; A208-S211 PolarHBondContact O-OG 3.46Å; A208-L212 VanDerWaalsContact O-CG 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.87Å
209C88.2Confident90.5Very high32 Ų3240 Ų4022%0.21622%0.22CC..Hα-helixtrans-61-41.3177-69.40000113.1D205 G206 L212 A213 A357D205-C209 PolarHBondContact O-N 3.48Å; D205-C209 PolarHBondContact O-SG 3.47Å; G206-C209 PolarHBondContact O-N 2.92Å; C209-L212 PolarHBondContact O-N 2.98Å; C209-A213 PolarHBondContact O-N 3.29Å; C209-A213 VanDerWaalsContact O-N 3.09Å; C209-A357 HydrophobicContact CB-CB 4.17Å
210L90.3Very high91Very high82 Ų8235.4 Ų35.443%0.42920%0.196SC..Hα-helixtrans-66.2-41178.3-166.993.6000111.9G206 A208 A213 I214G206-L210 WeakPolarHBondContact O-CB 3.43Å; G206-L210 PolarHBondContact O-N 3.08Å; A208-L210 VanDerWaalsContact C-N 3.35Å; A208-L210 PolarHBondContact O-N 3.41Å; L210-A213 PolarHBondContact O-N 3.46Å; L210-I214 HydrophobicContact CD2-CD1 3.86Å; L210-I214 HydrophobicContact CG-CD1 3.93Å; L210-I214 VanDerWaalsContact O-CG1 3.32Å; L210-I214 WeakPolarHBondContact O-CG1 3.13Å; L210-I214 PolarHBondContact O-N 3.05Å
211S93.8Very high91.5Very high4 Ų435.5 Ų35.53%0.02820%0.202CC..Hα-helixtrans-65.7-40.4177.545.90000112Y35 T36 L207 A208 A213 I214 A215Y35-S211 WeakPolarHBondContact CB-OG 3.44Å; T36-S211 WeakPolarHBondContact OG1-CB 3.3Å; L207-S211 WeakPolarHBondContact O-CB 3.2Å; L207-S211 PolarHBondContact O-N 3.22Å; L207-S211 PolarHBondContact O-OG 3.06Å; A208-S211 WeakPolarHBondContact CA-OG 3.26Å; A208-S211 PolarHBondContact O-N 3.42Å; A208-S211 PolarHBondContact O-OG 3.46Å; S211-A213 PolarHBondContact O-N 2.87Å; S211-I214 PolarHBondContact O-N 3.25Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.64Å
212L92.5Very high91.9Very high40 Ų4035.3 Ų35.321%0.20920%0.2CC..Hα-helixtrans-57.6-46.9171.1-65.4174.7000111.5Y35 E39 L162 A208 C209 I214 A215 S216Y35-L212 HydrophobicContact CD1-CD2 4.05Å; Y35-L212 HydrophobicContact CD1-CG 4.25Å; E39-L212 HydrophobicContact CB-CD2 3.57Å; E39-L212 HydrophobicContact CG-CB 4.41Å; E39-L212 HydrophobicContact CG-CD2 3.92Å; L162-L212 HydrophobicContact CD1-CD2 4.49Å; A208-L212 VanDerWaalsContact O-CG 3.29Å; A208-L212 WeakPolarHBondContact O-CG 3.37Å; A208-L212 PolarHBondContact O-N 2.87Å; C209-L212 PolarHBondContact O-N 2.98Å; L212-I214 PolarHBondContact O-N 2.91Å; L212-A215 WeakPolarHBondContact O-CB 3.47Å; L212-A215 PolarHBondContact O-N 3.11Å; L212-S216 PolarHBondContact O-N 3.29Å; L212-S216 VanDerWaalsContact O-N 3.1Å; L212-S216 PolarHBondContact O-OG 3.22Å
213A92.7Very high92.5Very high1 Ų132 Ų321%0.00818%0.18CC..Hα-helixtrans-61.9-46.817900000112.8C209 L210 S211 A215 S216 M217 G350 E353 A354C209-A213 PolarHBondContact O-N 3.29Å; C209-A213 VanDerWaalsContact O-N 3.09Å; L210-A213 PolarHBondContact O-N 3.46Å; S211-A213 PolarHBondContact O-N 2.87Å; A213-A215 VanDerWaalsContact C-N 3.33Å; A213-S216 PolarHBondContact O-N 3.32Å; A213-M217 WeakPolarHBondContact O-CG 3.43Å; A213-M217 PolarHBondContact O-N 3.05Å; A213-G350 WeakPolarHBondContact CB-O 3.3Å; A213-G350 VanDerWaalsContact O-CA 3.3Å; A213-G350 WeakPolarHBondContact O-CA 3.26Å; A213-E353 HydrophobicContact CB-CB 4.18Å; A213-A354 HydrophobicContact CB-CB 4.05Å
214I94.7Very high92.8Very high74 Ų7431.7 Ų31.738%0.37918%0.176SC..Hα-helixtrans-64.4-40.3177.9-68.8167.6000110.6L210 S211 L212 S216 M217 I218L210-I214 HydrophobicContact CD2-CD1 3.86Å; L210-I214 HydrophobicContact CG-CD1 3.93Å; L210-I214 VanDerWaalsContact O-CG1 3.32Å; L210-I214 WeakPolarHBondContact O-CG1 3.13Å; L210-I214 PolarHBondContact O-N 3.05Å; S211-I214 PolarHBondContact O-N 3.25Å; L212-I214 PolarHBondContact O-N 2.91Å; I214-S216 PolarHBondContact O-N 3.44Å; I214-M217 WeakPolarHBondContact O-CB 3.37Å; I214-M217 PolarHBondContact O-N 3.31Å; I214-I218 HydrophobicContact CG2-CD1 3.55Å; I214-I218 HydrophobicContact CG2-CG1 4.14Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.2Å
215A96.1Very high93Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-58.7-47.5177.900000112.4T36 E39 I40 S211 L212 A213 M217 I218 A219T36-A215 HydrophobicContact CG2-CB 4Å; T36-A215 WeakPolarHBondContact O-CB 3.16Å; E39-A215 HydrophobicContact CB-CB 3.59Å; E39-A215 HydrophobicContact CG-CB 3.62Å; I40-A215 HydrophobicContact CG1-CB 4.01Å; S211-A215 WeakPolarHBondContact O-CB 3.48Å; S211-A215 PolarHBondContact O-N 2.64Å; L212-A215 WeakPolarHBondContact O-CB 3.47Å; L212-A215 PolarHBondContact O-N 3.11Å; A213-A215 VanDerWaalsContact C-N 3.33Å; A215-M217 VanDerWaalsContact C-N 3.26Å; A215-M217 PolarHBondContact O-N 3.2Å; A215-I218 PolarHBondContact O-N 3.25Å; A215-A219 VanDerWaalsContact O-CB 3.24Å; A215-A219 WeakPolarHBondContact O-CB 3.25Å; A215-A219 PolarHBondContact O-N 3.35Å
216S93Very high93.5Very high8 Ų838.2 Ų38.26%0.05620%0.203CC..Hα-helixtrans-60.5-36.9177.2-45.20000111.8E39 L212 A213 I214 G220 G346E39-S216 PolarHBondContact OE1-OG 3.3Å; L212-S216 PolarHBondContact O-N 3.29Å; L212-S216 VanDerWaalsContact O-N 3.1Å; L212-S216 PolarHBondContact O-OG 3.22Å; A213-S216 PolarHBondContact O-N 3.32Å; I214-S216 PolarHBondContact O-N 3.44Å; S216-G220 PolarHBondContact O-N 3.3Å; S216-G346 WeakPolarHBondContact O-CA 3.39Å
217M95.2Very high93.8Very high63 Ų6338.1 Ų38.131%0.3120%0.203SC..Hα-helixtrans-66.8-46.9176.9-61.2173.969.100111.9A213 I214 A215 S221 L347 I351A213-M217 WeakPolarHBondContact O-CG 3.43Å; A213-M217 PolarHBondContact O-N 3.05Å; I214-M217 WeakPolarHBondContact O-CB 3.37Å; I214-M217 PolarHBondContact O-N 3.31Å; A215-M217 VanDerWaalsContact C-N 3.26Å; A215-M217 PolarHBondContact O-N 3.2Å; M217-S221 WeakPolarHBondContact O-CB 3.31Å; M217-S221 PolarHBondContact O-N 3.04Å; M217-S221 VanDerWaalsContact O-N 3.09Å; M217-L347 HydrophobicContact CB-CD2 4.5Å; M217-L347 HydrophobicContact CE-CD2 3.8Å; M217-I351 HydrophobicContact CE-CG1 4.46Å
218I95.9Very high94Very high60 Ų6037.4 Ų37.431%0.30820%0.198SC..Hα-helixtrans-63.5-51.8178.8-68.5173.7000109.9I40 I214 A215 G220 S221 L222I40-I218 HydrophobicContact CD1-CG2 4.3Å; I214-I218 HydrophobicContact CG2-CD1 3.55Å; I214-I218 HydrophobicContact CG2-CG1 4.14Å; I214-I218 WeakPolarHBondContact O-CG1 3.24Å; I214-I218 PolarHBondContact O-N 3.2Å; A215-I218 PolarHBondContact O-N 3.25Å; I218-G220 PolarHBondContact O-N 3.39Å; I218-S221 PolarHBondContact O-N 3.31Å; I218-L222 HydrophobicContact CG2-CD1 3.52Å; I218-L222 HydrophobicContact CG2-CG 4.17Å; I218-L222 WeakPolarHBondContact O-CB 3.3Å; I218-L222 VanDerWaalsContact O-CG 3.29Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.48Å
219A96.5Very high94.3Very high0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-57.7-50.9-179.400000111.3I40 F43 A215 S221 L222 I223I40-A219 HydrophobicContact CB-CB 4.43Å; I40-A219 HydrophobicContact CG1-CB 4.15Å; I40-A219 HydrophobicContact CG2-CB 4.21Å; F43-A219 HydrophobicContact CB-CB 3.98Å; F43-A219 HydrophobicContact CD1-CB 3.53Å; F43-A219 HydrophobicContact CE1-CB 4.21Å; F43-A219 HydrophobicContact CG-CB 3.86Å; A215-A219 VanDerWaalsContact O-CB 3.24Å; A215-A219 WeakPolarHBondContact O-CB 3.25Å; A215-A219 PolarHBondContact O-N 3.35Å; A219-S221 PolarHBondContact O-N 3.31Å; A219-L222 PolarHBondContact O-N 2.85Å; A219-I223 WeakPolarHBondContact O-CB 3.21Å; A219-I223 WeakPolarHBondContact O-CD1 3.49Å; A219-I223 WeakPolarHBondContact O-CG1 3.38Å; A219-I223 PolarHBondContact O-N 2.97Å
220G94.8Very high94.7Very high0 Ų041.6 Ų41.60%022%0.22CC..Hα-helixtrans-60.7-42.5-18000000113.3S216 I218 H224 S342 K343S216-G220 PolarHBondContact O-N 3.3Å; I218-G220 PolarHBondContact O-N 3.39Å; G220-H224 PolarHBondContact O-N 3.25Å; G220-S342 WeakPolarHBondContact CA-O 3.2Å; G220-S342 CarbonylContact O-C 3.59Å; G220-K343 WeakPolarHBondContact O-CA 3.39Å; G220-K343 PolarHBondContact O-N 3.49Å
221S95.8Very high95Very high40 Ų4037.7 Ų37.728%0.2820%0.2SC..Hα-helixtrans-67.9-46.8178.1-169.20000111.9M217 I218 A219 H224 T225M217-S221 WeakPolarHBondContact O-CB 3.31Å; M217-S221 PolarHBondContact O-N 3.04Å; M217-S221 VanDerWaalsContact O-N 3.09Å; I218-S221 PolarHBondContact O-N 3.31Å; A219-S221 PolarHBondContact O-N 3.31Å; S221-H224 PolarHBondContact O-N 2.85Å; S221-T225 PolarHBondContact O-N 2.75Å; S221-T225 PolarHBondContact O-OG1 3.16Å
222L96.6Very high95.2Very high30 Ų3037.5 Ų37.516%0.15720%0.198CC..Hα-helixtrans-65.5-41.3-178.1-72.9176.6000112.4I218 A219 H224 T225 Y226 G227 T231 V234I218-L222 HydrophobicContact CG2-CD1 3.52Å; I218-L222 HydrophobicContact CG2-CG 4.17Å; I218-L222 WeakPolarHBondContact O-CB 3.3Å; I218-L222 VanDerWaalsContact O-CG 3.29Å; I218-L222 WeakPolarHBondContact O-CG 3.46Å; I218-L222 PolarHBondContact O-N 3.48Å; A219-L222 PolarHBondContact O-N 2.85Å; L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.38Å; L222-T225 PolarHBondContact O-N 2.67Å; L222-Y226 HydrophobicContact CD2-CD2 3.61Å; L222-Y226 HydrophobicContact CD2-CE2 3.93Å; L222-Y226 WeakPolarHBondContact O-CA 3.27Å; L222-Y226 PolarHBondContact O-N 2.97Å; L222-G227 PolarHBondContact O-N 3.39Å; L222-T231 VanDerWaalsContact C-OG1 3.29Å; L222-T231 HydrophobicContact CB-CG2 3.97Å; L222-T231 WeakPolarHBondContact CB-OG1 3.38Å; L222-T231 HydrophobicContact CD1-CG2 4.33Å; L222-V234 HydrophobicContact CD1-CB 4.04Å; L222-V234 HydrophobicContact CD1-CG1 3.85Å; L222-V234 HydrophobicContact CD1-CG2 4.08Å
223I96Very high95.5Very high6 Ų639.6 Ų39.63%0.03121%0.209CC..Hα-helixtrans-60.6-43.1177.7-71167.9000110.1F43 I44 Q47 Y61 A219 G227 F228 T231F43-I223 HydrophobicContact CD1-CD1 3.69Å; F43-I223 HydrophobicContact CE1-CD1 3.89Å; I44-I223 HydrophobicContact CG1-CD1 4.17Å; Q47-I223 HydrophobicContact CB-CD1 4.21Å; Q47-I223 HydrophobicContact CG-CD1 4.23Å; Y61-I223 HydrophobicContact CE1-CG2 4.4Å; A219-I223 WeakPolarHBondContact O-CB 3.21Å; A219-I223 WeakPolarHBondContact O-CD1 3.49Å; A219-I223 WeakPolarHBondContact O-CG1 3.38Å; A219-I223 PolarHBondContact O-N 2.97Å; I223-G227 WeakPolarHBondContact O-CA 3.3Å; I223-G227 PolarHBondContact O-N 3.04Å; I223-G227 VanDerWaalsContact O-N 3.07Å; I223-F228 HydrophobicContact CD1-CD1 4.36Å; I223-F228 HydrophobicContact CD1-CE1 4.24Å; I223-F228 HydrophobicContact CG1-CD1 4.26Å; I223-F228 HydrophobicContact CG1-CE1 4.4Å; I223-F228 HydrophobicContact CG2-CD1 4.11Å; I223-F228 HydrophobicContact CG2-CE1 3.68Å; I223-F228 HydrophobicContact CG2-CE2 4.36Å; I223-F228 HydrophobicContact CG2-CZ 3.81Å; I223-T231 HydrophobicContact CD1-CG2 4.43Å; I223-T231 HydrophobicContact CG1-CG2 3.85Å; I223-T231 WeakPolarHBondContact CG1-OG1 3.42Å; I223-T231 PolarHBondContact N-OG1 3.3Å
224H93.1Very high95.7Very high70 Ų7041.5 Ų41.532%0.32422%0.221SC..Hα-helixtrans-69.8-38.7-179.5-176-80.8000113.1G220 S221 L222 N341 K343G220-H224 PolarHBondContact O-N 3.25Å; S221-H224 PolarHBondContact O-N 2.85Å; L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.38Å; H224-N341 PolarHBondContact CD2-ND2 3.42Å; H224-N341 PolarHBondContact NE2-ND2 3.39Å; H224-N341 VanDerWaalsContact NE2-ND2 3.2Å; H224-K343 HydrophobicContact CB-CB 3.81Å
225T93.6Very high95.8Very high73 Ų7338 Ų3845%0.44820%0.203SC..Hα-helixtrans-90.5-35.8-174.156.30000114S221 L222S221-T225 PolarHBondContact O-N 2.75Å; S221-T225 PolarHBondContact O-OG1 3.16Å; L222-T225 PolarHBondContact O-N 2.67Å
226Y94.7Very high95.9Very high154 Ų15440.6 Ų40.660%0.60422%0.216SC*.Hα-helixtrans-123-5.5-172.7-57.3-71.2000113.9L222 T230L222-Y226 HydrophobicContact CD2-CD2 3.61Å; L222-Y226 HydrophobicContact CD2-CE2 3.93Å; L222-Y226 WeakPolarHBondContact O-CA 3.27Å; L222-Y226 PolarHBondContact O-N 2.97Å; Y226-T230 HydrophobicContact CG-CG2 4.31Å; Y226-T230 PolarHBondContact O-OG1 3.31Å
227G94.3Very high96.1Very high25 Ų2545.2 Ų45.226%0.25824%0.239SC..Hα-helixtrans81.3179.1-179.900000114.6L222 I223 T231L222-G227 PolarHBondContact O-N 3.39Å; I223-G227 WeakPolarHBondContact O-CA 3.3Å; I223-G227 PolarHBondContact O-N 3.04Å; I223-G227 VanDerWaalsContact O-N 3.07Å; G227-T231 PolarHBondContact O-N 3.09Å; G227-T231 PolarHBondContact O-OG1 2.94Å
228F96.2Very high96.2Very high19 Ų1944.2 Ų44.28%0.08324%0.235CC..Hα-helixtrans-66-42.2-174-63.5-80.7000113.4Q47 F48 Y51 Y61 V139 I223 T230 T231 M232Q47-F228 HydrophobicContact CB-CE1 3.74Å; Q47-F228 HydrophobicContact CB-CZ 4.3Å; F48-F228 HydrophobicContact CB-CD1 4.17Å; F48-F228 HydrophobicContact CB-CE1 4.08Å; F48-F228 HydrophobicContact CD2-CB 4.47Å; F48-F228 HydrophobicContact CD2-CD1 4.22Å; F48-F228 HydrophobicContact CD2-CD2 4.4Å; F48-F228 HydrophobicContact CD2-CG 4.11Å; Y51-F228 HydrophobicContact CD1-CD2 4.32Å; Y51-F228 AromaticContact CD1-CE2 3.82Å; Y51-F228 HydrophobicContact CD1-CE2 3.82Å; Y51-F228 HydrophobicContact CD1-CZ 4.44Å; Y51-F228 AromaticContact CD2-CE2 3.68Å; Y51-F228 HydrophobicContact CD2-CE2 3.68Å; Y51-F228 HydrophobicContact CD2-CZ 4.33Å; Y51-F228 HydrophobicContact CE1-CE2 4.35Å; Y51-F228 HydrophobicContact CE2-CE2 4.21Å; Y51-F228 HydrophobicContact CG-CD2 4.37Å; Y51-F228 AromaticContact CG-CE2 3.46Å; Y51-F228 HydrophobicContact CG-CE2 3.46Å; Y51-F228 VanDerWaalsContact CG-CE2 3.46Å; Y51-F228 AromaticContact CG-CZ 3.9Å; Y51-F228 HydrophobicContact CG-CZ 3.9Å; Y61-F228 HydrophobicContact CE1-CE2 4.28Å; Y61-F228 HydrophobicContact CE1-CZ 4.01Å; Y61-F228 HydrophobicContact CE2-CZ 4.43Å; Y61-F228 AromaticContact CZ-CZ 3.8Å; V139-F228 HydrophobicContact CG1-CB 3.73Å; I223-F228 HydrophobicContact CD1-CD1 4.36Å; I223-F228 HydrophobicContact CD1-CE1 4.24Å; I223-F228 HydrophobicContact CG1-CD1 4.26Å; I223-F228 HydrophobicContact CG1-CE1 4.4Å; I223-F228 HydrophobicContact CG2-CD1 4.11Å; I223-F228 HydrophobicContact CG2-CE1 3.68Å; I223-F228 HydrophobicContact CG2-CE2 4.36Å; I223-F228 HydrophobicContact CG2-CZ 3.81Å; F228-T230 PolarHBondContact O-N 3.48Å; F228-T231 PolarHBondContact O-N 3.42Å; F228-M232 WeakPolarHBondContact O-CB 3.47Å; F228-M232 PolarHBondContact O-N 3.03Å
229N96.4Very high96.2Very high64 Ų6441.7 Ų41.734%0.34222%0.221SC..Hα-helixtrans-60.7-48.9-175.7-67.810.5000111.8F140 T231 M232 I233F140-N229 HydrophobicContact CD1-CB 4.1Å; F140-N229 HydrophobicContact CE1-CB 4.05Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.76Å; N229-M232 WeakPolarHBondContact O-CB 3.33Å; N229-M232 PolarHBondContact O-N 2.93Å; N229-I233 WeakPolarHBondContact O-CG1 3.45Å; N229-I233 PolarHBondContact O-N 3.3Å
230T96.4Very high96.2Very high60 Ų6045.1 Ų45.137%0.36824%0.239SC..Hα-helixtrans-64.8-39.9178.6-52.30000111.4Y226 F228 M232 I233 V234Y226-T230 HydrophobicContact CG-CG2 4.31Å; Y226-T230 PolarHBondContact O-OG1 3.31Å; F228-T230 PolarHBondContact O-N 3.48Å; T230-M232 VanDerWaalsContact C-N 3.31Å; T230-M232 PolarHBondContact O-N 2.86Å; T230-I233 PolarHBondContact O-N 3.28Å; T230-V234 WeakPolarHBondContact O-CG2 3.17Å; T230-V234 PolarHBondContact O-N 2.94Å
231T97.3Very high96.3Very high0 Ų047.7 Ų47.70%026%0.256CS..Hα-helixtrans-62.2-40.9176.6-50.10000111.2I40 I44 L222 I223 G227 F228 N229 V234 C235I40-T231 HydrophobicContact CG2-CG2 4Å; I44-T231 HydrophobicContact CD1-CG2 3.86Å; I44-T231 HydrophobicContact CG1-CG2 4.04Å; L222-T231 VanDerWaalsContact C-OG1 3.29Å; L222-T231 HydrophobicContact CB-CG2 3.97Å; L222-T231 WeakPolarHBondContact CB-OG1 3.38Å; L222-T231 HydrophobicContact CD1-CG2 4.33Å; I223-T231 HydrophobicContact CD1-CG2 4.43Å; I223-T231 HydrophobicContact CG1-CG2 3.85Å; I223-T231 WeakPolarHBondContact CG1-OG1 3.42Å; I223-T231 PolarHBondContact N-OG1 3.3Å; G227-T231 PolarHBondContact O-N 3.09Å; G227-T231 PolarHBondContact O-OG1 2.94Å; F228-T231 PolarHBondContact O-N 3.42Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.76Å; T231-V234 PolarHBondContact O-N 3.23Å; T231-C235 PolarHBondContact O-N 2.94Å
232M97.4Very high96.3Very high0 Ų045.8 Ų45.80%024%0.242CC..Hα-helixtrans-63.8-41.5176.2-168.969.9-123.500112.2I44 V132 V135 A136 V139 F140 F228 N229 T230 V234 C235 I236I44-M232 HydrophobicContact CD1-CB 4.36Å; I44-M232 HydrophobicContact CD1-SD 3.97Å; V132-M232 HydrophobicContact CG1-CE 3.59Å; V132-M232 WeakPolarHBondContact O-CE 3.46Å; V135-M232 HydrophobicContact CG1-SD 3.94Å; A136-M232 HydrophobicContact CB-CE 4.01Å; A136-M232 HydrophobicContact CB-CG 3.72Å; A136-M232 HydrophobicContact CB-SD 4.11Å; V139-M232 HydrophobicContact CG1-CB 4.4Å; F140-M232 HydrophobicContact CE1-CB 4.32Å; F140-M232 HydrophobicContact CE2-CG 4.44Å; F140-M232 HydrophobicContact CZ-CB 4.22Å; F140-M232 HydrophobicContact CZ-CG 4.1Å; F228-M232 WeakPolarHBondContact O-CB 3.47Å; F228-M232 PolarHBondContact O-N 3.03Å; N229-M232 WeakPolarHBondContact O-CB 3.33Å; N229-M232 PolarHBondContact O-N 2.93Å; T230-M232 VanDerWaalsContact C-N 3.31Å; T230-M232 PolarHBondContact O-N 2.86Å; M232-V234 VanDerWaalsContact C-N 3.33Å; M232-V234 PolarHBondContact O-N 3.2Å; M232-C235 HydrophobicContact CE-CB 4.05Å; M232-C235 VanDerWaalsContact O-CB 3.32Å; M232-C235 WeakPolarHBondContact O-CB 3.38Å; M232-C235 PolarHBondContact O-N 3.09Å; M232-I236 HydrophobicContact CE-CD1 4.3Å; M232-I236 HydrophobicContact CE-CG1 3.94Å; M232-I236 HydrophobicContact CG-CD1 4.39Å; M232-I236 WeakPolarHBondContact O-CG1 3.39Å; M232-I236 PolarHBondContact O-N 3.48Å
233I97.7Very high96.2Very high85 Ų8547.5 Ų47.544%0.43625%0.251SS..Hα-helixtrans-60.4-45.4174.9-65.8167.9000110.3F140 N229 T230 C235 I236 L237F140-I233 HydrophobicContact CE1-CD1 4.38Å; F140-I233 HydrophobicContact CE1-CG1 4Å; F140-I233 HydrophobicContact CZ-CD1 4.47Å; F140-I233 HydrophobicContact CZ-CG1 3.72Å; N229-I233 WeakPolarHBondContact O-CG1 3.45Å; N229-I233 PolarHBondContact O-N 3.3Å; T230-I233 PolarHBondContact O-N 3.28Å; I233-C235 VanDerWaalsContact C-N 3.33Å; I233-C235 PolarHBondContact O-N 3.31Å; I233-I236 PolarHBondContact O-N 3.18Å; I233-L237 HydrophobicContact CG2-CD1 4.08Å; I233-L237 HydrophobicContact CG2-CG 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.35Å; I233-L237 PolarHBondContact O-N 3.11Å
234V97.6Very high96.2Very high41 Ų4151.4 Ų51.425%0.24827%0.271CS..Hα-helixtrans-60.9-42.1176.5173.10000111.3L222 T230 T231 M232 I236 L237 I238L222-V234 HydrophobicContact CD1-CB 4.04Å; L222-V234 HydrophobicContact CD1-CG1 3.85Å; L222-V234 HydrophobicContact CD1-CG2 4.08Å; T230-V234 WeakPolarHBondContact O-CG2 3.17Å; T230-V234 PolarHBondContact O-N 2.94Å; T231-V234 PolarHBondContact O-N 3.23Å; M232-V234 VanDerWaalsContact C-N 3.33Å; M232-V234 PolarHBondContact O-N 3.2Å; V234-I236 PolarHBondContact O-N 3.23Å; V234-L237 PolarHBondContact O-N 3.26Å; V234-I238 HydrophobicContact CG1-CD1 3.72Å; V234-I238 HydrophobicContact CG1-CG1 4.33Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.32Å; V234-I238 PolarHBondContact O-N 3.36Å
235C97.8Very high96.3Very high0 Ų049.9 Ų49.90%027%0.265CS..Hα-helixtrans-56.5-48.1175-174.50000112A37 I40 T231 M232 I233 I238 Y239A37-C235 PolarHBondContact O-SG 3.3Å; I40-C235 HydrophobicContact CB-CB 4.31Å; I40-C235 HydrophobicContact CG2-CB 3.67Å; T231-C235 PolarHBondContact O-N 2.94Å; M232-C235 HydrophobicContact CE-CB 4.05Å; M232-C235 VanDerWaalsContact O-CB 3.32Å; M232-C235 WeakPolarHBondContact O-CB 3.38Å; M232-C235 PolarHBondContact O-N 3.09Å; I233-C235 VanDerWaalsContact C-N 3.33Å; I233-C235 PolarHBondContact O-N 3.31Å; C235-I238 PolarHBondContact O-N 3.49Å; C235-Y239 PolarHBondContact O-N 3.1Å; C235-Y239 VanDerWaalsContact O-N 3.09Å
236I97.5Very high96.3Very high54 Ų5447.1 Ų47.128%0.27725%0.247SC..Hα-helixtrans-62.1-45.3178.2-65.9164.8000110.5V132 A136 F140 M232 I233 V234 I238 Y239 I240V132-I236 HydrophobicContact CG1-CG1 3.9Å; A136-I236 HydrophobicContact CB-CD1 3.96Å; F140-I236 HydrophobicContact CE2-CD1 4.46Å; M232-I236 HydrophobicContact CE-CD1 4.3Å; M232-I236 HydrophobicContact CE-CG1 3.94Å; M232-I236 HydrophobicContact CG-CD1 4.39Å; M232-I236 WeakPolarHBondContact O-CG1 3.39Å; M232-I236 PolarHBondContact O-N 3.48Å; I233-I236 PolarHBondContact O-N 3.18Å; V234-I236 PolarHBondContact O-N 3.23Å; I236-I238 VanDerWaalsContact C-N 3.33Å; I236-I238 PolarHBondContact O-N 3.47Å; I236-Y239 PolarHBondContact O-N 3.32Å; I236-Y239 VanDerWaalsContact O-N 3.07Å; I236-I240 HydrophobicContact CG2-CD1 4.47Å; I236-I240 WeakPolarHBondContact O-CG1 3.19Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.1Å
237L97.4Very high96.2Very high105 Ų10547 Ų4755%0.5525%0.251SS..Hα-helixtrans-61.7-39.2178.8-69.8174.5000112.6I233 V234 Y239 I240 P241I233-L237 HydrophobicContact CG2-CD1 4.08Å; I233-L237 HydrophobicContact CG2-CG 4.42Å; I233-L237 WeakPolarHBondContact O-CG 3.35Å; I233-L237 PolarHBondContact O-N 3.11Å; V234-L237 PolarHBondContact O-N 3.26Å; L237-Y239 VanDerWaalsContact C-N 3.27Å; L237-Y239 PolarHBondContact O-N 2.85Å; L237-I240 HydrophobicContact CD2-CD1 4.2Å; L237-P241 WeakPolarHBondContact O-CD 3.47Å
238I97.1Very high96.1Very high43 Ų4352.6 Ų52.622%0.22127%0.268CS..Hα-helixtrans-66.9-30.7175.4-68.4169.2000111.1P33 T36 A37 I40 V234 C235 I236 P241P33-I238 HydrophobicContact CB-CG2 4.15Å; P33-I238 VanDerWaalsContact CB-O 3.27Å; P33-I238 WeakPolarHBondContact CB-O 3.34Å; T36-I238 HydrophobicContact CG2-CD1 4.31Å; T36-I238 HydrophobicContact CG2-CG2 4.13Å; A37-I238 HydrophobicContact CB-CB 4.4Å; A37-I238 HydrophobicContact CB-CG2 4.01Å; I40-I238 HydrophobicContact CD1-CD1 3.65Å; V234-I238 HydrophobicContact CG1-CD1 3.72Å; V234-I238 HydrophobicContact CG1-CG1 4.33Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.32Å; V234-I238 PolarHBondContact O-N 3.36Å; C235-I238 PolarHBondContact O-N 3.49Å; I236-I238 VanDerWaalsContact C-N 3.33Å; I236-I238 PolarHBondContact O-N 3.47Å; I238-P241 WeakPolarHBondContact O-CD 3.36Å
239Y96.6Very high95.9Very high6 Ų651.9 Ų51.92%0.02427%0.265CS..Hα-helixtrans-79.5-31.2-178.3-162.9-104.6000114F34 A37 I125 E128 A129 C235 I236 L237 V242 I243F34-Y239 AromaticContact CD2-CE2 3.86Å; F34-Y239 HydrophobicContact CD2-CE2 3.86Å; F34-Y239 HydrophobicContact CE2-CE2 4.24Å; A37-Y239 HydrophobicContact CB-CD2 3.69Å; A37-Y239 HydrophobicContact CB-CG 4.25Å; I125-Y239 WeakPolarHBondContact CA-OH 3.31Å; I125-Y239 HydrophobicContact CG2-CE1 4.38Å; I125-Y239 WeakPolarHBondContact CG2-OH 3.41Å; I125-Y239 PolarHBondContact O-OH 3.5Å; E128-Y239 HydrophobicContact CB-CE2 4.35Å; E128-Y239 VanDerWaalsContact CB-OH 3.22Å; E128-Y239 WeakPolarHBondContact CB-OH 3.34Å; A129-Y239 HydrophobicContact CB-CE1 3.73Å; C235-Y239 PolarHBondContact O-N 3.1Å; C235-Y239 VanDerWaalsContact O-N 3.09Å; I236-Y239 PolarHBondContact O-N 3.32Å; I236-Y239 VanDerWaalsContact O-N 3.07Å; L237-Y239 VanDerWaalsContact C-N 3.27Å; L237-Y239 PolarHBondContact O-N 2.85Å; Y239-V242 HydrophobicContact CD2-CG2 4.34Å; Y239-V242 VanDerWaalsContact O-CB 3.28Å; Y239-V242 WeakPolarHBondContact O-CB 3.29Å; Y239-V242 PolarHBondContact O-N 3.18Å; Y239-I243 HydrophobicContact CD1-CD1 3.88Å; Y239-I243 HydrophobicContact CD1-CG1 4.07Å; Y239-I243 HydrophobicContact CE1-CD1 3.92Å; Y239-I243 HydrophobicContact CE1-CG1 3.86Å
240I96.5Very high95.5Very high73 Ų7351.5 Ų51.537%0.37427%0.266SS..Hα-helixtrans-50.1-46.4-179.5-73.2167.9000113.6I236 L237 V242 I243 I244I236-I240 HydrophobicContact CG2-CD1 4.47Å; I236-I240 WeakPolarHBondContact O-CG1 3.19Å; I236-I240 PolarHBondContact O-N 3.42Å; I236-I240 VanDerWaalsContact O-N 3.1Å; L237-I240 HydrophobicContact CD2-CD1 4.2Å; I240-V242 PolarHBondContact O-N 3.18Å; I240-I243 WeakPolarHBondContact O-CB 3.35Å; I240-I243 PolarHBondContact O-N 3.37Å; I240-I243 VanDerWaalsContact O-N 3.09Å; I240-I244 HydrophobicContact CG2-CD1 3.73Å; I240-I244 HydrophobicContact CG2-CG1 4.35Å; I240-I244 PolarHBondContact O-N 2.8Å; I240-I244 VanDerWaalsContact O-N 3.1Å
241P95.9Very high95.1Very high53 Ų5350.5 Ų50.534%0.34426%0.257SS..Hα-helixtrans-52.4-35.5175.1-29.634.1000114.4L237 I238 I244 L245L237-P241 WeakPolarHBondContact O-CD 3.47Å; I238-P241 WeakPolarHBondContact O-CD 3.36Å; P241-I244 PolarHBondContact O-N 3.07Å; P241-L245 VanDerWaalsContact O-CB 3.31Å; P241-L245 WeakPolarHBondContact O-CB 3.36Å; P241-L245 WeakPolarHBondContact O-CG 3.27Å; P241-L245 PolarHBondContact O-N 3.22Å
242V96Very high94.4Very high0 Ų050.9 Ų50.90%026%0.26CS..Hα-helixtrans-63.8-44.8178.7-1750000110.7M30 P33 F34 I125 Y239 I240 I244 L245 I246M30-V242 HydrophobicContact CE-CG1 4.38Å; P33-V242 HydrophobicContact CB-CG2 3.82Å; P33-V242 HydrophobicContact CG-CG2 3.79Å; F34-V242 HydrophobicContact CB-CG1 4.21Å; F34-V242 HydrophobicContact CB-CG2 3.88Å; F34-V242 HydrophobicContact CD2-CG1 4.09Å; I125-V242 HydrophobicContact CD1-CG1 3.84Å; I125-V242 HydrophobicContact CG1-CG1 3.9Å; I125-V242 HydrophobicContact CG2-CG1 4.16Å; Y239-V242 HydrophobicContact CD2-CG2 4.34Å; Y239-V242 VanDerWaalsContact O-CB 3.28Å; Y239-V242 WeakPolarHBondContact O-CB 3.29Å; Y239-V242 PolarHBondContact O-N 3.18Å; I240-V242 PolarHBondContact O-N 3.18Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.91Å; V242-L245 PolarHBondContact O-N 2.62Å; V242-I246 PolarHBondContact O-N 3.06Å; V242-I246 VanDerWaalsContact O-N 3.16Å
243I95.1Very high93.6Very high66 Ų6651.3 Ų51.334%0.33826%0.262SS..Hα-helixtrans-63.9-37.4178.2-59.7175.8000110.5I125 A129 Y239 I240 I246 F247I125-I243 HydrophobicContact CG2-CG1 4.06Å; A129-I243 HydrophobicContact CB-CD1 4.46Å; Y239-I243 HydrophobicContact CD1-CD1 3.88Å; Y239-I243 HydrophobicContact CD1-CG1 4.07Å; Y239-I243 HydrophobicContact CE1-CD1 3.92Å; Y239-I243 HydrophobicContact CE1-CG1 3.86Å; I240-I243 WeakPolarHBondContact O-CB 3.35Å; I240-I243 PolarHBondContact O-N 3.37Å; I240-I243 VanDerWaalsContact O-N 3.09Å; I243-I246 WeakPolarHBondContact O-CG2 3.24Å; I243-F247 HydrophobicContact CG2-CE2 4.27Å; I243-F247 WeakPolarHBondContact O-CD2 3.46Å; I243-F247 WeakPolarHBondContact O-CE2 3.23Å
244I95.9Very high92Very high88 Ų8852.2 Ų52.245%0.45126%0.264SS..Hα-helixtrans-70.9-45.1177.6-64.7171.3000110.6I240 P241 V242 I246 F247 F248I240-I244 HydrophobicContact CG2-CD1 3.73Å; I240-I244 HydrophobicContact CG2-CG1 4.35Å; I240-I244 PolarHBondContact O-N 2.8Å; I240-I244 VanDerWaalsContact O-N 3.1Å; P241-I244 PolarHBondContact O-N 3.07Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.91Å; I244-I246 PolarHBondContact O-N 3.4Å; I244-F247 PolarHBondContact O-N 3.03Å; I244-F248 HydrophobicContact CG2-CD2 4.26Å; I244-F248 HydrophobicContact CG2-CE2 3.76Å; I244-F248 VanDerWaalsContact O-CD2 3.31Å; I244-F248 WeakPolarHBondContact O-CD2 3.48Å
245L94.5Very high90.1Very high39 Ų3953.3 Ų53.320%0.20427%0.268CS..Hα-helixtrans-67.3-30.7-174.2-74.6170.1000113.6S29 M30 P241 V242 F247 F248 L249S29-L245 WeakPolarHBondContact O-CD1 3.45Å; M30-L245 HydrophobicContact CG-CB 3.38Å; M30-L245 HydrophobicContact CG-CD1 3.74Å; M30-L245 HydrophobicContact CG-CG 4.19Å; M30-L245 HydrophobicContact SD-CB 3.94Å; P241-L245 VanDerWaalsContact O-CB 3.31Å; P241-L245 WeakPolarHBondContact O-CB 3.36Å; P241-L245 WeakPolarHBondContact O-CG 3.27Å; P241-L245 PolarHBondContact O-N 3.22Å; V242-L245 PolarHBondContact O-N 2.62Å; L245-F247 PolarHBondContact O-N 3.23Å; L245-F248 PolarHBondContact O-N 3.38Å; L245-F248 VanDerWaalsContact O-N 3.1Å; L245-L249 PolarHBondContact O-N 2.93Å; L245-L249 VanDerWaalsContact O-N 3.08Å
246I93.9Very high88Confident14 Ų1455.9 Ų55.97%0.07228%0.282CS..Hα-helixtrans-62.4-29.7176.9-175.561.9000112.6M30 K118 L121 I125 V242 I243 I244 F248 L249M30-I246 HydrophobicContact CE-CB 3.79Å; M30-I246 HydrophobicContact CE-CD1 4.04Å; M30-I246 HydrophobicContact CE-CG1 4.48Å; K118-I246 VanDerWaalsContact CE-O 3.28Å; K118-I246 WeakPolarHBondContact CE-O 3.46Å; K118-I246 HydrophobicContact CG-CD1 4.28Å; L121-I246 HydrophobicContact CB-CD1 3.77Å; I125-I246 HydrophobicContact CD1-CB 3.71Å; I125-I246 HydrophobicContact CD1-CD1 4.09Å; I125-I246 HydrophobicContact CD1-CG1 3.91Å; I125-I246 HydrophobicContact CD1-CG2 4.15Å; V242-I246 PolarHBondContact O-N 3.06Å; V242-I246 VanDerWaalsContact O-N 3.16Å; I243-I246 WeakPolarHBondContact O-CG2 3.24Å; I244-I246 PolarHBondContact O-N 3.4Å; I246-F248 VanDerWaalsContact C-N 3.33Å; I246-F248 PolarHBondContact O-N 3.28Å; I246-L249 HydrophobicContact CD1-CB 4.36Å; I246-L249 HydrophobicContact CD1-CD2 3.88Å; I246-L249 PolarHBondContact O-N 3.42Å
247F93.4Very high85.7Confident153 Ų15358 Ų5867%0.67129%0.29SS*.Hα-helixtrans-67.6-36.1175.6-67.6-71.2000112K118 I243 I244 L245K118-F247 PolarHBondContact NZ-O 3.49Å; I243-F247 HydrophobicContact CG2-CE2 4.27Å; I243-F247 WeakPolarHBondContact O-CD2 3.46Å; I243-F247 WeakPolarHBondContact O-CE2 3.23Å; I244-F247 PolarHBondContact O-N 3.03Å; L245-F247 PolarHBondContact O-N 3.23Å
248F92.6Very high83.5Confident141 Ų14158.9 Ų58.962%0.61830%0.295SS*.Hα-helixtrans-79.9-15.8177.7-65.7-72.7000114I26 I244 L245 I246 P250I26-F248 HydrophobicContact CD1-CB 4.43Å; I244-F248 HydrophobicContact CG2-CD2 4.26Å; I244-F248 HydrophobicContact CG2-CE2 3.76Å; I244-F248 VanDerWaalsContact O-CD2 3.31Å; I244-F248 WeakPolarHBondContact O-CD2 3.48Å; L245-F248 PolarHBondContact O-N 3.38Å; L245-F248 VanDerWaalsContact O-N 3.1Å; I246-F248 VanDerWaalsContact C-N 3.33Å; I246-F248 PolarHBondContact O-N 3.28Å; F248-P250 WeakPolarHBondContact O-CD 3.3Å
249L91.2Very high81.3Confident4 Ų462.3 Ų62.32%0.02131%0.308CS..PPolyproline II helixtrans-68.5121.3177.4-169.872000109.9V23 I26 L27 M30 K118 L121 L245 I246V23-L249 HydrophobicContact CG1-CD1 3.9Å; I26-L249 HydrophobicContact CB-CD1 4.21Å; I26-L249 HydrophobicContact CG2-CB 4.21Å; I26-L249 HydrophobicContact CG2-CD1 3.72Å; L27-L249 HydrophobicContact CD2-CD1 3.67Å; L27-L249 HydrophobicContact CD2-CD2 3.96Å; L27-L249 HydrophobicContact CD2-CG 4.5Å; L27-L249 HydrophobicContact CG-CD1 3.82Å; M30-L249 HydrophobicContact SD-CD2 4.38Å; K118-L249 WeakPolarHBondContact CD-O 3.5Å; K118-L249 VanDerWaalsContact CE-O 3.31Å; K118-L249 WeakPolarHBondContact CE-O 3.49Å; K118-L249 PolarHBondContact NZ-O 3.02Å; L121-L249 HydrophobicContact CD1-CD2 3.52Å; L245-L249 PolarHBondContact O-N 2.93Å; L245-L249 VanDerWaalsContact O-N 3.08Å; I246-L249 HydrophobicContact CD1-CB 4.36Å; I246-L249 HydrophobicContact CD1-CD2 3.88Å; I246-L249 PolarHBondContact O-N 3.42Å
250P87.9Confident79Confident57 Ų5764.3 Ų64.337%0.3732%0.322SS..PPolyproline II helixtrans-76159.6171.531.8-34.2000111.2V23 F248V23-P250 HydrophobicContact CB-CG 4.35Å; V23-P250 HydrophobicContact CG1-CG 4.27Å; V23-P250 HydrophobicContact CG2-CG 3.34Å; F248-P250 WeakPolarHBondContact O-CD 3.3Å
251E87.3Confident76.8Confident39 Ų3965 Ų6518%0.18233%0.327CS..PPolyproline II helixtrans-67.9139.1174-175.850.1-108.900110.5G116 R117 K118 N253G116-E251 WeakPolarHBondContact CA-OE2 3.4Å; R117-E251 WeakPolarHBondContact CB-OE1 3.38Å; R117-E251 VanDerWaalsContact N-CD 3.29Å; R117-E251 PolarHBondContact N-OE1 3.47Å; R117-E251 PolarHBondContact N-OE2 2.98Å; R117-E251 VanDerWaalsContact N-OE2 3.11Å; K118-E251 VanDerWaalsContact CB-OE2 3.26Å; K118-E251 WeakPolarHBondContact CB-OE2 3.28Å; K118-E251 PolarHBondContact N-OE2 3.17Å; E251-N253 PolarHBondContact OE1-N 3.39Å
252T84.3Confident74.6Confident8 Ų866.3 Ų66.35%0.04933%0.334CS..  trans-110.5-20-177.251.40000113V23 R117 L176 H254V23-T252 HydrophobicContact CG1-CG2 3.8Å; R117-T252 WeakPolarHBondContact CB-OG1 3.48Å; R117-T252 WeakPolarHBondContact CG-OG1 3.09Å; L176-T252 HydrophobicContact CD1-CG2 4.39Å; L176-T252 HydrophobicContact CD2-CG2 4.02Å; L176-T252 HydrophobicContact CG-CG2 4.15Å; T252-H254 PolarHBondContact O-N 3.31Å
253N78.7Confident72.5Confident8 Ų872.2 Ų72.24%0.04336%0.361CS..  trans-88.290.8177.1-177.17.6000111.7D113 R117 E251 I255D113-N253 PolarHBondContact O-ND2 3.05Å; D113-N253 VanDerWaalsContact O-ND2 3.08Å; R117-N253 HydrophobicContact CG-CB 3.9Å; E251-N253 PolarHBondContact OE1-N 3.39Å; N253-I255 PolarHBondContact OD1-N 2.89Å
254H65.9Low70.5Confident105 Ų10573 Ų7349%0.48637%0.366SS..  trans-86.1-19.1175.4-64.4-63.8000114.4T252 N256 L258T252-H254 PolarHBondContact O-N 3.31Å; H254-N256 PolarHBondContact O-N 3.45Å; H254-L258 PolarHBondContact O-N 3.49Å
255I57.8Low68.4Low64 Ų6474.1 Ų74.133%0.32837%0.372SS..Hα-helixtrans-64.3-44.3-174.2-68.5171.6000111Q181 N253 K259Q181-I255 HydrophobicContact CG-CD1 4.18Å; Q181-I255 HydrophobicContact CG-CG1 4.31Å; Q181-I255 VanDerWaalsContact NE2-CG1 3.28Å; N253-I255 PolarHBondContact OD1-N 2.89Å; I255-K259 PolarHBondContact O-N 3.11Å; I255-K259 VanDerWaalsContact O-N 3.14Å
256N52Low66.5Low54 Ų5475.9 Ų75.929%0.28939%0.385SS..Hα-helixtrans-84.1-19.3-174.8-77.9-4.1000113.4D113 H254 K259 C260D113-N256 PolarHBondContact O-ND2 2.77Å; H254-N256 PolarHBondContact O-N 3.45Å; N256-K259 PolarHBondContact O-N 3.42Å; N256-C260 VanDerWaalsContact O-CB 3.23Å; N256-C260 WeakPolarHBondContact O-CB 3.41Å; N256-C260 PolarHBondContact O-N 3.42Å
257Q49.4Very low64.4Low97 Ų9781.5 Ų81.545%0.45341%0.406SS..Hα-helixtrans-62.2-48.2166.4-72179.2-16.700109.8K259 C260 D261Q257-K259 PolarHBondContact O-N 2.94Å; Q257-C260 PolarHBondContact O-N 3.09Å; Q257-D261 WeakPolarHBondContact O-CB 3.49Å; Q257-D261 PolarHBondContact O-N 3.07Å; Q257-D261 VanDerWaalsContact O-OD2 3.13Å
258L50.6Low62.2Low124 Ų12478.9 Ų78.965%0.64940%0.399SS*.Hα-helixtrans-62.8-39.7177.2-68.7167.7000113H254 T262H254-L258 PolarHBondContact O-N 3.49Å; L258-T262 WeakPolarHBondContact O-CG2 3.13Å; L258-T262 PolarHBondContact O-N 3.46Å; L258-T262 PolarHBondContact O-OG1 3.35Å
259K51.3Low60.1Low116 Ų11678.6 Ų78.650%0.50440%0.399SS..Hα-helixtrans-71.7-45.4176.9-75.2-173.3177.9-178.20113.2I255 N256 Q257 D261 T262 E263I255-K259 PolarHBondContact O-N 3.11Å; I255-K259 VanDerWaalsContact O-N 3.14Å; N256-K259 PolarHBondContact O-N 3.42Å; Q257-K259 PolarHBondContact O-N 2.94Å; K259-D261 VanDerWaalsContact C-N 3.33Å; K259-T262 VanDerWaalsContact CA-OG1 3.31Å; K259-T262 WeakPolarHBondContact CA-OG1 3.42Å; K259-T262 PolarHBondContact O-N 2.7Å; K259-T262 PolarHBondContact O-OG1 3.1Å; K259-E263 WeakPolarHBondContact O-CB 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.09Å
260C49.3Very low58Low47 Ų4785 Ų8532%0.31842%0.424SS..Hα-helixtrans-63.6-40.3175.3-112.10000110.6N256 Q257 T262 E263 I264N256-C260 VanDerWaalsContact O-CB 3.23Å; N256-C260 WeakPolarHBondContact O-CB 3.41Å; N256-C260 PolarHBondContact O-N 3.42Å; Q257-C260 PolarHBondContact O-N 3.09Å; C260-T262 VanDerWaalsContact C-N 3.33Å; C260-T262 PolarHBondContact O-N 2.81Å; C260-E263 PolarHBondContact O-N 3.17Å; C260-I264 HydrophobicContact CB-CD1 4.27Å; C260-I264 WeakPolarHBondContact O-CB 3.21Å; C260-I264 WeakPolarHBondContact O-CD1 3.49Å; C260-I264 WeakPolarHBondContact O-CG1 3.43Å; C260-I264 PolarHBondContact O-N 2.88Å
261D49.4Very low55.9Low88 Ų8887.1 Ų87.147%0.47143%0.432SS..Hα-helixtrans-64.2-40.2176.8-67.3-20.6000110.9Q257 K259 N265Q257-D261 WeakPolarHBondContact O-CB 3.49Å; Q257-D261 PolarHBondContact O-N 3.07Å; Q257-D261 VanDerWaalsContact O-OD2 3.13Å; K259-D261 VanDerWaalsContact C-N 3.33Å; D261-N265 WeakPolarHBondContact O-CB 3.37Å; D261-N265 PolarHBondContact O-N 2.93Å; D261-N265 PolarHBondContact O-ND2 3.2Å; D261-N265 VanDerWaalsContact O-ND2 3.09Å
262T51Low53.9Low81 Ų8194.2 Ų94.250%0.49746%0.462SS..Hα-helixtrans-67.6-42.4171.948.20000112.9L258 K259 C260 N265 V266L258-T262 WeakPolarHBondContact O-CG2 3.13Å; L258-T262 PolarHBondContact O-N 3.46Å; L258-T262 PolarHBondContact O-OG1 3.35Å; K259-T262 VanDerWaalsContact CA-OG1 3.31Å; K259-T262 WeakPolarHBondContact CA-OG1 3.42Å; K259-T262 PolarHBondContact O-N 2.7Å; K259-T262 PolarHBondContact O-OG1 3.1Å; C260-T262 VanDerWaalsContact C-N 3.33Å; C260-T262 PolarHBondContact O-N 2.81Å; T262-N265 PolarHBondContact O-N 3.3Å; T262-V266 VanDerWaalsContact O-CB 3.29Å; T262-V266 WeakPolarHBondContact O-CB 3.22Å; T262-V266 WeakPolarHBondContact O-CG2 3.31Å; T262-V266 PolarHBondContact O-N 2.82Å
263E50.7Low52.2Low123 Ų123100 Ų10058%0.57549%0.492SS*.Hα-helixtrans-69.2-37.1-179.9-77.8179.4-173.400111.7K259 C260 Y267K259-E263 WeakPolarHBondContact O-CB 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.09Å; C260-E263 PolarHBondContact O-N 3.17Å; E263-Y267 VanDerWaalsContact O-CB 3.28Å; E263-Y267 WeakPolarHBondContact O-CB 3.46Å; E263-Y267 PolarHBondContact O-N 3.5Å
264I53.7Low50.5Low83 Ų83103 Ų10343%0.42651%0.511SS..Hα-helixtrans-70.6-39.9174.2-67.9163.9000110.2C260 V266 Y267 N268C260-I264 HydrophobicContact CB-CD1 4.27Å; C260-I264 WeakPolarHBondContact O-CB 3.21Å; C260-I264 WeakPolarHBondContact O-CD1 3.49Å; C260-I264 WeakPolarHBondContact O-CG1 3.43Å; C260-I264 PolarHBondContact O-N 2.88Å; I264-V266 VanDerWaalsContact C-N 3.34Å; I264-Y267 PolarHBondContact O-N 3.1Å; I264-N268 VanDerWaalsContact O-CB 3.25Å; I264-N268 WeakPolarHBondContact O-CB 3.42Å; I264-N268 PolarHBondContact O-N 2.65Å; I264-N268 PolarHBondContact O-ND2 2.89Å
265N51Low49.1Very low111 Ų111107.2 Ų107.259%0.59453%0.528SS*.Hα-helixtrans-66.4-38.7174.7-77.3-26.9000111.8D261 T262 H269D261-N265 WeakPolarHBondContact O-CB 3.37Å; D261-N265 PolarHBondContact O-N 2.93Å; D261-N265 PolarHBondContact O-ND2 3.2Å; D261-N265 VanDerWaalsContact O-ND2 3.09Å; T262-N265 PolarHBondContact O-N 3.3Å; N265-H269 WeakPolarHBondContact O-CB 3.48Å; N265-H269 PolarHBondContact O-N 3.38Å; N265-H269 VanDerWaalsContact O-N 3.1Å
266V54.7Low48.3Very low76 Ų76111 Ų11146%0.46155%0.549SS..Hα-helixtrans-65-49.1171.8170.30000109.7T262 I264 N268 H269 Y270T262-V266 VanDerWaalsContact O-CB 3.29Å; T262-V266 WeakPolarHBondContact O-CB 3.22Å; T262-V266 WeakPolarHBondContact O-CG2 3.31Å; T262-V266 PolarHBondContact O-N 2.82Å; I264-V266 VanDerWaalsContact C-N 3.34Å; V266-N268 PolarHBondContact O-N 3.47Å; V266-H269 CarbonylContact O-C 3.59Å; V266-H269 WeakPolarHBondContact O-CA 3.26Å; V266-H269 WeakPolarHBondContact O-CB 3.26Å; V266-H269 PolarHBondContact O-N 3.48Å; V266-H269 VanDerWaalsContact O-N 3.07Å; V266-Y270 HydrophobicContact CG1-CD2 3.5Å; V266-Y270 HydrophobicContact CG1-CE2 3.58Å; V266-Y270 WeakPolarHBondContact O-CD2 3.46Å; V266-Y270 PolarHBondContact O-N 3.19Å
267Y49.5Very low47.5Very low133 Ų133115.3 Ų115.352%0.52257%0.567SS.*Hα-helixtrans-60.8-43.7177.7-120-89.2000112.2E263 I264 H269 Y270 D271E263-Y267 VanDerWaalsContact O-CB 3.28Å; E263-Y267 WeakPolarHBondContact O-CB 3.46Å; E263-Y267 PolarHBondContact O-N 3.5Å; I264-Y267 PolarHBondContact O-N 3.1Å; Y267-H269 PolarHBondContact O-N 3.43Å; Y267-Y270 CarbonylContact O-C 3.56Å; Y267-Y270 PolarHBondContact O-N 2.93Å; Y267-D271 WeakPolarHBondContact O-CB 3.4Å; Y267-D271 PolarHBondContact O-N 2.9Å
268N48.8Very low46.8Very low98 Ų98118.6 Ų118.652%0.52459%0.588SS.*Hα-helixtrans-65.6-26.7176.7-74.2-19.1000112.4I264 V266I264-N268 VanDerWaalsContact O-CB 3.25Å; I264-N268 WeakPolarHBondContact O-CB 3.42Å; I264-N268 PolarHBondContact O-N 2.65Å; I264-N268 PolarHBondContact O-ND2 2.89Å; V266-N268 PolarHBondContact O-N 3.47Å
269H47.5Very low46Very low134 Ų134120 Ų12062%0.6259%0.591SS**Hα-helixtrans-77.5-39.2173.1-157.261.9000111.8N265 V266 Y267N265-H269 WeakPolarHBondContact O-CB 3.48Å; N265-H269 PolarHBondContact O-N 3.38Å; N265-H269 VanDerWaalsContact O-N 3.1Å; V266-H269 CarbonylContact O-C 3.59Å; V266-H269 WeakPolarHBondContact O-CA 3.26Å; V266-H269 WeakPolarHBondContact O-CB 3.26Å; V266-H269 PolarHBondContact O-N 3.48Å; V266-H269 VanDerWaalsContact O-N 3.07Å; Y267-H269 PolarHBondContact O-N 3.43Å
270Y46.6Very low45Very low140 Ų140120.6 Ų120.655%0.54960%0.604SS.*Hα-helixtrans-76.6-37.5177.3-82.4-79.2000113.2V266 Y267 K272 L273 T274V266-Y270 HydrophobicContact CG1-CD2 3.5Å; V266-Y270 HydrophobicContact CG1-CE2 3.58Å; V266-Y270 WeakPolarHBondContact O-CD2 3.46Å; V266-Y270 PolarHBondContact O-N 3.19Å; Y267-Y270 CarbonylContact O-C 3.56Å; Y267-Y270 PolarHBondContact O-N 2.93Å; Y270-K272 PolarHBondContact O-N 2.92Å; Y270-L273 CarbonylContact O-C 3.35Å; Y270-L273 WeakPolarHBondContact O-CA 3.43Å; Y270-L273 WeakPolarHBondContact O-CB 3.47Å; Y270-L273 PolarHBondContact O-N 2.86Å; Y270-T274 PolarHBondContact O-N 3.36Å; Y270-T274 PolarHBondContact O-OG1 3.44Å
271D43.7Very low44.5Very low100 Ų100125.2 Ų125.254%0.53562%0.623SS.*Hα-helixtrans-70.7-20.8-178.5-154.630.7000112.2Y267 L273Y267-D271 WeakPolarHBondContact O-CB 3.4Å; Y267-D271 PolarHBondContact O-N 2.9Å; D271-L273 VanDerWaalsContact C-N 3.3Å
272K45.4Very low43.9Very low188 Ų188128.3 Ų128.382%0.81764%0.636SS**THydrogen-bonded Turntrans-72.4-21.3164.8-95.6-177.4175.8178.90113.5Y270Y270-K272 PolarHBondContact O-N 2.92Å
273L49.4Very low43.3Very low130 Ų130134.1 Ų134.168%0.68166%0.655SS**THydrogen-bonded Turntrans-102.8-30.3-177.9-79.5157.8000113.1Y270 D271Y270-L273 CarbonylContact O-C 3.35Å; Y270-L273 WeakPolarHBondContact O-CA 3.43Å; Y270-L273 WeakPolarHBondContact O-CB 3.47Å; Y270-L273 PolarHBondContact O-N 2.86Å; D271-L273 VanDerWaalsContact C-N 3.3Å
274T42.2Very low43Very low70 Ų70131.7 Ų131.743%0.42965%0.646SS.*  trans-109.551.3-171.552.10000113.5Y270 N276Y270-T274 PolarHBondContact O-N 3.36Å; Y270-T274 PolarHBondContact O-OG1 3.44Å; T274-N276 PolarHBondContact O-N 3.16Å
275K37.6Very low43.1Very low194 Ų194130.8 Ų130.884%0.84365%0.646SS**SBendtrans-70.6-2.2162-104.4-175.9-1801800113.8
276N40.3Very low43.4Very low143 Ų143130 Ų13077%0.76565%0.649SS**SBendtrans-13594.7171.7-90.8-17.4000107T274T274-N276 PolarHBondContact O-N 3.16Å
277E35.9Very low43.5Very low145 Ų145135.2 Ų135.268%0.67866%0.66SS**  trans173.8123.5139.1-95163-162.200108H279E277-H279 PolarHBondContact O-N 3.27Å
278N34.4Very low44.2Very low167 Ų167134 Ų13489%0.89366%0.659SS**  trans-6860.6179.6-68.8-36.2000111.2T280N278-T280 PolarHBondContact O-N 3.12Å
279H34.2Very low44.9Very low154 Ų154132.9 Ų132.971%0.71365%0.653SS**  trans-70.488.8166.6-88.2-68.9000107.8E277 M281E277-H279 PolarHBondContact O-N 3.27Å; H279-M281 PolarHBondContact O-N 3.48Å
280T30.3Very low45.8Very low128 Ų128128.8 Ų128.879%0.78564%0.638SS**  trans-4980149.343.40000108N278 M282N278-T280 PolarHBondContact O-N 3.12Å; T280-M282 PolarHBondContact O-N 3.25Å
281M38.1Very low46.9Very low144 Ų144124.5 Ų124.571%0.70963%0.628SS**  trans-53.698.2159.2-101.7-80.8169.700104.6H279 K283H279-M281 PolarHBondContact O-N 3.48Å; M281-K283 VanDerWaalsContact C-N 3.31Å; M281-K283 PolarHBondContact O-N 3.34Å
282M37.8Very low48.2Very low152 Ų152125.6 Ų125.675%0.74963%0.63SS**  trans-5398.8-176.5-168.6177.6-174.500106.2T280 L284T280-M282 PolarHBondContact O-N 3.25Å; M282-L284 HydrophobicContact CE-CD1 4.01Å; M282-L284 HydrophobicContact CE-CG 4.41Å; M282-L284 HydrophobicContact CG-CD1 3.89Å; M282-L284 HydrophobicContact CG-CG 4.46Å; M282-L284 PolarHBondContact O-N 3.22Å; M282-L284 HydrophobicContact SD-CD1 3.66Å
283K37.7Very low49.2Very low204 Ų204123 Ų12389%0.88762%0.619SS**  trans-6175157.5-76-179.8178.7175.80105.5M281 S285M281-K283 VanDerWaalsContact C-N 3.31Å; M281-K283 PolarHBondContact O-N 3.34Å; K283-S285 VanDerWaalsContact C-N 3.27Å; K283-S285 PolarHBondContact O-N 3.04Å
284L44.2Very low50.4Low72 Ų72121.5 Ų121.538%0.37761%0.61SS.*  trans-54.1109.4153.6-100.9116000103.5M282 C286 Q288 I289M282-L284 HydrophobicContact CE-CD1 4.01Å; M282-L284 HydrophobicContact CE-CG 4.41Å; M282-L284 HydrophobicContact CG-CD1 3.89Å; M282-L284 HydrophobicContact CG-CG 4.46Å; M282-L284 PolarHBondContact O-N 3.22Å; M282-L284 HydrophobicContact SD-CD1 3.66Å; L284-C286 PolarHBondContact O-N 2.92Å; L284-C286 VanDerWaalsContact O-N 3.14Å; L284-Q288 HydrophobicContact CD2-CB 4.5Å; L284-I289 HydrophobicContact CB-CD1 4.02Å; L284-I289 HydrophobicContact CB-CG1 4.18Å; L284-I289 HydrophobicContact CD2-CG1 4.07Å
285S55.1Low51.9Low63 Ų63124.4 Ų124.444%0.44162%0.617SS.*  trans-50128.4179.8179.40000106.6K283 W287 Q288 I289K283-S285 VanDerWaalsContact C-N 3.27Å; K283-S285 PolarHBondContact O-N 3.04Å; S285-W287 CarbonylContact O-C 3.49Å; S285-W287 PolarHBondContact O-N 3.47Å; S285-W287 WeakPolarHBondContact OG-CB 3.34Å; S285-Q288 PolarHBondContact O-N 3.38Å; S285-I289 PolarHBondContact O-N 3.44Å
286C58.6Low53.6Low96 Ų96121.2 Ų121.265%0.64961%0.605SS**Hα-helixtrans-46.7-31.5178.4-175.10000111.1L284 C290L284-C286 PolarHBondContact O-N 2.92Å; L284-C286 VanDerWaalsContact O-N 3.14Å; C286-C290 VanDerWaalsContact O-CB 3.29Å; C286-C290 WeakPolarHBondContact O-CB 3.19Å; C286-C290 PolarHBondContact O-N 3.14Å
287W57.2Low55.1Low185 Ų185115.6 Ų115.670%0.70158%0.576SS**Hα-helixtrans-54.8-48.7169.7-170.8-107.5000114.8S285 C290 C291S285-W287 CarbonylContact O-C 3.49Å; S285-W287 PolarHBondContact O-N 3.47Å; S285-W287 WeakPolarHBondContact OG-CB 3.34Å; W287-C290 WeakPolarHBondContact O-CB 3.33Å; W287-C290 PolarHBondContact O-N 2.93Å; W287-C291 VanDerWaalsContact CE2-SG 3.57Å; W287-C291 PolarHBondContact NE1-SG 2.81Å; W287-C291 WeakPolarHBondContact O-CB 3.49Å; W287-C291 PolarHBondContact O-N 3.36Å; W287-C291 PolarHBondContact O-SG 2.94Å
288Q62.3Low57Low108 Ų108112.6 Ų112.651%0.50556%0.564SS.*Hα-helixtrans-64.7-42.2-179.2-76.5174.3-27.600112.2L284 S285 C290 C291 Q292L284-Q288 HydrophobicContact CD2-CB 4.5Å; S285-Q288 PolarHBondContact O-N 3.38Å; Q288-C290 VanDerWaalsContact C-N 3.34Å; Q288-C291 PolarHBondContact O-N 3.39Å; Q288-Q292 WeakPolarHBondContact O-CB 3.47Å; Q288-Q292 PolarHBondContact O-N 3.28Å
289I65.4Low58.9Low74 Ų74110 Ų11038%0.37955%0.548SS..Hα-helixtrans-64.8-42.4176.1-61.1171.1000109.9L284 S285 Q292 K293L284-I289 HydrophobicContact CB-CD1 4.02Å; L284-I289 HydrophobicContact CB-CG1 4.18Å; L284-I289 HydrophobicContact CD2-CG1 4.07Å; S285-I289 PolarHBondContact O-N 3.44Å; I289-Q292 PolarHBondContact O-N 2.9Å; I289-K293 WeakPolarHBondContact O-CG 3.45Å; I289-K293 PolarHBondContact O-N 3.37Å
290C65.4Low60.8Low47 Ų47103.7 Ų103.732%0.31852%0.52SS..Hα-helixtrans-61.6-50.2175.7-1700000111.3C286 W287 Q288 Q292 K293 I294C286-C290 VanDerWaalsContact O-CB 3.29Å; C286-C290 WeakPolarHBondContact O-CB 3.19Å; C286-C290 PolarHBondContact O-N 3.14Å; W287-C290 WeakPolarHBondContact O-CB 3.33Å; W287-C290 PolarHBondContact O-N 2.93Å; Q288-C290 VanDerWaalsContact C-N 3.34Å; C290-Q292 VanDerWaalsContact C-N 3.34Å; C290-Q292 PolarHBondContact O-N 2.85Å; C290-K293 PolarHBondContact O-N 3.37Å; C290-I294 WeakPolarHBondContact O-CB 3.27Å; C290-I294 VanDerWaalsContact O-CG1 3.28Å; C290-I294 WeakPolarHBondContact O-CG1 3.44Å; C290-I294 PolarHBondContact O-N 3.48Å
291C69.9Low62.8Low51 Ų5198.1 Ų98.135%0.34549%0.486SS..Hα-helixtrans-59.4-41177-71.80000112.4W287 Q288 I294 K295W287-C291 VanDerWaalsContact CE2-SG 3.57Å; W287-C291 PolarHBondContact NE1-SG 2.81Å; W287-C291 WeakPolarHBondContact O-CB 3.49Å; W287-C291 PolarHBondContact O-N 3.36Å; W287-C291 PolarHBondContact O-SG 2.94Å; Q288-C291 PolarHBondContact O-N 3.39Å; C291-I294 PolarHBondContact O-N 3.33Å; C291-K295 VanDerWaalsContact O-CB 3.31Å; C291-K295 WeakPolarHBondContact O-CB 3.37Å; C291-K295 PolarHBondContact O-N 2.96Å
292Q70.3Confident64.5Low123 Ų12396.7 Ų96.758%0.57548%0.48SS*.Hα-helixtrans-62.8-46.1175.2-101.1-177.3-24.800111.8Q288 I289 C290 K295 Q296Q288-Q292 WeakPolarHBondContact O-CB 3.47Å; Q288-Q292 PolarHBondContact O-N 3.28Å; I289-Q292 PolarHBondContact O-N 2.9Å; C290-Q292 VanDerWaalsContact C-N 3.34Å; C290-Q292 PolarHBondContact O-N 2.85Å; Q292-K295 PolarHBondContact O-N 3.24Å; Q292-Q296 WeakPolarHBondContact O-CG 3.3Å; Q292-Q296 PolarHBondContact O-N 2.86Å
293K68Low66Low133 Ų13393.6 Ų93.658%0.57847%0.474SS*.Hα-helixtrans-62.5-44.8176.7-75.4-176.5178.3-177.50111.5I289 C290 K295 Q296 V297I289-K293 WeakPolarHBondContact O-CG 3.45Å; I289-K293 PolarHBondContact O-N 3.37Å; C290-K293 PolarHBondContact O-N 3.37Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 2.9Å; K293-Q296 PolarHBondContact O-N 3.37Å; K293-V297 WeakPolarHBondContact O-CB 3.36Å; K293-V297 WeakPolarHBondContact O-CG2 3.49Å; K293-V297 PolarHBondContact O-N 3.5Å
294I73.2Confident67.5Low98 Ų9885.2 Ų85.250%0.50344%0.441SS..Hα-helixtrans-59-45.9175.9-69.1167000110.4C290 C291 Q296 V297 L298C290-I294 WeakPolarHBondContact O-CB 3.27Å; C290-I294 VanDerWaalsContact O-CG1 3.28Å; C290-I294 WeakPolarHBondContact O-CG1 3.44Å; C290-I294 PolarHBondContact O-N 3.48Å; C291-I294 PolarHBondContact O-N 3.33Å; I294-Q296 PolarHBondContact O-N 2.86Å; I294-V297 PolarHBondContact O-N 3.22Å; I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 PolarHBondContact O-N 2.92Å
295K74.5Confident69.1Low132 Ų13284.7 Ų84.757%0.57444%0.438SS*.Hα-helixtrans-63-42.4178.4-169.6177.1-179.3-179.80111.9C291 Q292 K293 L298 M299C291-K295 VanDerWaalsContact O-CB 3.31Å; C291-K295 WeakPolarHBondContact O-CB 3.37Å; C291-K295 PolarHBondContact O-N 2.96Å; Q292-K295 PolarHBondContact O-N 3.24Å; K293-K295 VanDerWaalsContact C-N 3.33Å; K293-K295 PolarHBondContact O-N 2.9Å; K295-L298 PolarHBondContact O-N 3.41Å; K295-M299 HydrophobicContact CG-CE 4.48Å; K295-M299 HydrophobicContact CG-SD 4.45Å; K295-M299 WeakPolarHBondContact O-CB 3.35Å; K295-M299 WeakPolarHBondContact O-CG 3.32Å; K295-M299 PolarHBondContact O-N 3.19Å
296Q73Confident70.5Confident126 Ų12686 Ų8659%0.58945%0.446SS*.Hα-helixtrans-62.3-42.6174.9-79.5-179.3-11.900112.2Q292 K293 I294 T300Q292-Q296 WeakPolarHBondContact O-CG 3.3Å; Q292-Q296 PolarHBondContact O-N 2.86Å; K293-Q296 PolarHBondContact O-N 3.37Å; I294-Q296 PolarHBondContact O-N 2.86Å; Q296-T300 VanDerWaalsContact O-CB 3.23Å; Q296-T300 WeakPolarHBondContact O-CB 3.33Å; Q296-T300 PolarHBondContact O-N 2.65Å; Q296-T300 PolarHBondContact O-OG1 2.92Å
297V71.3Confident71.9Confident26 Ų2681.9 Ų81.916%0.15842%0.417CS..Hα-helixtrans-62.6-49177.1172.10000110.2K293 I294 T300 V301 L472 F476K293-V297 WeakPolarHBondContact O-CB 3.36Å; K293-V297 WeakPolarHBondContact O-CG2 3.49Å; K293-V297 PolarHBondContact O-N 3.5Å; I294-V297 PolarHBondContact O-N 3.22Å; V297-T300 WeakPolarHBondContact O-CB 3.48Å; V297-T300 PolarHBondContact O-N 2.88Å; V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.84Å; V297-L472 HydrophobicContact CB-CD2 4.14Å; V297-L472 HydrophobicContact CG1-CD2 3.86Å; V297-L472 HydrophobicContact CG1-CG 4.46Å; V297-L472 HydrophobicContact CG2-CD1 3.79Å; V297-L472 HydrophobicContact CG2-CD2 3.92Å; V297-L472 HydrophobicContact CG2-CG 3.76Å; V297-F476 HydrophobicContact CG1-CB 3.68Å; V297-F476 HydrophobicContact CG1-CD2 3.54Å; V297-F476 HydrophobicContact CG1-CE2 4.34Å; V297-F476 HydrophobicContact CG1-CG 3.71Å
298L76Confident73.4Confident81 Ų8173.2 Ų73.242%0.42438%0.384SS..Hα-helixtrans-62.5-46.1-179.6-171.668000111.4I294 K295 T300 V301 I302 F476I294-L298 WeakPolarHBondContact O-CB 3.46Å; I294-L298 PolarHBondContact O-N 2.92Å; K295-L298 PolarHBondContact O-N 3.41Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 PolarHBondContact O-N 3.45Å; L298-V301 PolarHBondContact O-N 3.03Å; L298-I302 HydrophobicContact CD1-CD1 4.19Å; L298-I302 HydrophobicContact CD2-CD1 4.37Å; L298-I302 HydrophobicContact CG-CD1 3.78Å; L298-I302 HydrophobicContact CG-CG1 4.46Å; L298-I302 WeakPolarHBondContact O-CB 3.38Å; L298-I302 VanDerWaalsContact O-CG1 3.27Å; L298-I302 WeakPolarHBondContact O-CG1 3.33Å; L298-I302 PolarHBondContact O-N 3.39Å; L298-F476 HydrophobicContact CD1-CZ 4.13Å
299M75.3Confident74.7Confident114 Ų11472 Ų7256%0.56238%0.38SS*.Hα-helixtrans-61.2-39.4174.7-77.6-174.3164.300112.1K295 V301 S303K295-M299 HydrophobicContact CG-CE 4.48Å; K295-M299 HydrophobicContact CG-SD 4.45Å; K295-M299 WeakPolarHBondContact O-CB 3.35Å; K295-M299 WeakPolarHBondContact O-CG 3.32Å; K295-M299 PolarHBondContact O-N 3.19Å; M299-V301 VanDerWaalsContact C-N 3.34Å; M299-V301 PolarHBondContact O-N 3.4Å; M299-S303 VanDerWaalsContact O-CB 3.26Å; M299-S303 WeakPolarHBondContact O-CB 3.48Å; M299-S303 PolarHBondContact O-N 3.44Å; M299-S303 PolarHBondContact O-OG 2.89Å
300T72.5Confident75.9Confident20 Ų2071 Ų7112%0.12338%0.375CS..Hα-helixtrans-62.3-41.8175.8-66.90000111.7Q296 V297 L298 S303 S304 L472Q296-T300 VanDerWaalsContact O-CB 3.23Å; Q296-T300 WeakPolarHBondContact O-CB 3.33Å; Q296-T300 PolarHBondContact O-N 2.65Å; Q296-T300 PolarHBondContact O-OG1 2.92Å; V297-T300 WeakPolarHBondContact O-CB 3.48Å; V297-T300 PolarHBondContact O-N 2.88Å; L298-T300 VanDerWaalsContact C-N 3.3Å; L298-T300 PolarHBondContact O-N 3.45Å; T300-S303 WeakPolarHBondContact CA-OG 3.29Å; T300-S303 PolarHBondContact O-OG 3.25Å; T300-S303 VanDerWaalsContact O-OG 3.11Å; T300-S304 PolarHBondContact O-N 3.34Å; T300-S304 PolarHBondContact O-OG 2.95Å; T300-L472 HydrophobicContact CG2-CD2 4.07Å
301V73.1Confident77.2Confident11 Ų1168.8 Ų68.87%0.06736%0.36CS..Hα-helixtrans-73.4-41.6179.7173.50000111.5V297 L298 M299 S303 S304 L312 F476V297-V301 WeakPolarHBondContact O-CG2 3.44Å; V297-V301 PolarHBondContact O-N 2.84Å; L298-V301 PolarHBondContact O-N 3.03Å; M299-V301 VanDerWaalsContact C-N 3.34Å; M299-V301 PolarHBondContact O-N 3.4Å; V301-S303 VanDerWaalsContact C-N 3.32Å; V301-S303 PolarHBondContact O-N 2.77Å; V301-S304 WeakPolarHBondContact O-CB 3.11Å; V301-S304 PolarHBondContact O-N 3.03Å; V301-L312 HydrophobicContact CG1-CD1 3.55Å; V301-F476 HydrophobicContact CB-CD1 4.43Å; V301-F476 HydrophobicContact CB-CE1 4.28Å; V301-F476 HydrophobicContact CG1-CD1 4.27Å; V301-F476 HydrophobicContact CG1-CE1 3.95Å; V301-F476 HydrophobicContact CG2-CD1 3.67Å; V301-F476 HydrophobicContact CG2-CE1 4.01Å; V301-F476 HydrophobicContact CG2-CG 4.27Å
302I73.8Confident78.3Confident114 Ų11466.8 Ų66.859%0.58535%0.346SS*.Hα-helixtrans-65.3-38177.2-68.3170.1000110.9L298 S304L298-I302 HydrophobicContact CD1-CD1 4.19Å; L298-I302 HydrophobicContact CD2-CD1 4.37Å; L298-I302 HydrophobicContact CG-CD1 3.78Å; L298-I302 HydrophobicContact CG-CG1 4.46Å; L298-I302 WeakPolarHBondContact O-CB 3.38Å; L298-I302 VanDerWaalsContact O-CG1 3.27Å; L298-I302 WeakPolarHBondContact O-CG1 3.33Å; L298-I302 PolarHBondContact O-N 3.39Å; I302-S304 PolarHBondContact O-N 3.21Å
303S69.9Low79.5Confident87 Ų8762.4 Ų62.461%0.60833%0.334SS*.THydrogen-bonded Turntrans-77.1-0.2173.658.90000114M299 T300 V301M299-S303 VanDerWaalsContact O-CB 3.26Å; M299-S303 WeakPolarHBondContact O-CB 3.48Å; M299-S303 PolarHBondContact O-N 3.44Å; M299-S303 PolarHBondContact O-OG 2.89Å; T300-S303 WeakPolarHBondContact CA-OG 3.29Å; T300-S303 PolarHBondContact O-OG 3.25Å; T300-S303 VanDerWaalsContact O-OG 3.11Å; V301-S303 VanDerWaalsContact C-N 3.32Å; V301-S303 PolarHBondContact O-N 2.77Å
304S68.1Low80.8Confident29 Ų2956.1 Ų56.120%0.20331%0.307CS..SBendtrans-80.9173.1179.1-680000112.8T300 V301 I302T300-S304 PolarHBondContact O-N 3.34Å; T300-S304 PolarHBondContact O-OG 2.95Å; V301-S304 WeakPolarHBondContact O-CB 3.11Å; V301-S304 PolarHBondContact O-N 3.03Å; I302-S304 PolarHBondContact O-N 3.21Å
305N78.4Confident81.8Confident60 Ų6051.5 Ų51.532%0.32128%0.283SS..  trans-51.5137.7174.5-74-59.1000111.6I307 L308 K532N305-I307 PolarHBondContact O-N 3.32Å; N305-I307 VanDerWaalsContact O-N 3.08Å; N305-L308 HydrophobicContact CB-CD1 4.45Å; N305-L308 HydrophobicContact CB-CG 4.48Å; N305-L308 WeakPolarHBondContact O-CB 3.13Å; N305-L308 PolarHBondContact O-N 3.43Å; N305-K532 PolarHBondContact OD1-NZ 2.97Å
306P84.2Confident82.8Confident92 Ų9248.7 Ų48.760%0.59727%0.271SS*.Hα-helixtrans-58.6-28.6178.722.8-33.8000112.9L308 I309 I310P306-L308 VanDerWaalsContact C-N 3.34Å; P306-L308 PolarHBondContact O-N 2.69Å; P306-I309 PolarHBondContact O-N 2.88Å; P306-I310 WeakPolarHBondContact O-CG1 2.87Å; P306-I310 PolarHBondContact O-N 3.43Å; P306-I310 VanDerWaalsContact O-N 3.12Å
307I87Confident83.8Confident8 Ų844.1 Ų44.14%0.04125%0.25CS..Hα-helixtrans-64.4-37175.5-66.8167.7000111.8N305 I309 I310 I311 W464 F525 V529N305-I307 PolarHBondContact O-N 3.32Å; N305-I307 VanDerWaalsContact O-N 3.08Å; I307-I309 VanDerWaalsContact C-N 3.31Å; I307-I309 PolarHBondContact O-N 3.31Å; I307-I310 PolarHBondContact O-N 2.94Å; I307-I311 HydrophobicContact CG2-CD1 3.89Å; I307-I311 HydrophobicContact CG2-CG1 4.47Å; I307-I311 VanDerWaalsContact O-CG1 3.31Å; I307-I311 WeakPolarHBondContact O-CG1 3.45Å; I307-I311 PolarHBondContact O-N 3.4Å; I307-W464 HydrophobicContact CB-CD2 4.39Å; I307-W464 HydrophobicContact CB-CE3 4.06Å; I307-W464 HydrophobicContact CB-CH2 4.44Å; I307-W464 HydrophobicContact CB-CZ3 4.07Å; I307-W464 HydrophobicContact CD1-CE3 4.34Å; I307-W464 HydrophobicContact CD1-CH2 3.31Å; I307-W464 HydrophobicContact CD1-CZ2 4.02Å; I307-W464 HydrophobicContact CD1-CZ3 3.5Å; I307-W464 VanDerWaalsContact CD1-CZ3 3.5Å; I307-W464 HydrophobicContact CG1-CH2 4.44Å; I307-W464 HydrophobicContact CG1-CZ3 4.36Å; I307-W464 HydrophobicContact CG2-CD2 3.72Å; I307-W464 HydrophobicContact CG2-CE3 3.9Å; I307-W464 HydrophobicContact CG2-CG 4.31Å; I307-W464 HydrophobicContact CG2-CH2 4.17Å; I307-W464 HydrophobicContact CG2-CZ2 4Å; I307-W464 HydrophobicContact CG2-CZ3 4.11Å; I307-F525 HydrophobicContact CD1-CE2 4.44Å; I307-F525 HydrophobicContact CG2-CD2 3.91Å; I307-F525 HydrophobicContact CG2-CE2 3.82Å; I307-V529 HydrophobicContact CD1-CG2 3.84Å
308L89.4Confident84.9Confident4 Ų442.9 Ų42.92%0.02124%0.243CC..Hα-helixtrans-63.2-40.6175.2-82171.6000111.3N305 P306 I310 I311 L312 W464N305-L308 HydrophobicContact CB-CD1 4.45Å; N305-L308 HydrophobicContact CB-CG 4.48Å; N305-L308 WeakPolarHBondContact O-CB 3.13Å; N305-L308 PolarHBondContact O-N 3.43Å; P306-L308 VanDerWaalsContact C-N 3.34Å; P306-L308 PolarHBondContact O-N 2.69Å; L308-I310 VanDerWaalsContact C-N 3.32Å; L308-I310 PolarHBondContact O-N 3.28Å; L308-I311 PolarHBondContact O-N 3.49Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.27Å; L308-L312 PolarHBondContact O-N 3.46Å; L308-W464 HydrophobicContact CD1-CB 4.48Å; L308-W464 VanDerWaalsContact CD1-O 3.23Å; L308-W464 WeakPolarHBondContact CD1-O 3.21Å; L308-W464 HydrophobicContact CD2-CB 3.27Å; L308-W464 HydrophobicContact CD2-CG 4.49Å; L308-W464 HydrophobicContact CG-CB 3.68Å
309I89.8Confident85.6Confident82 Ų8239.1 Ų39.142%0.42122%0.223SC..Hα-helixtrans-62.9-42.1177.9-59175.6000109.9P306 I307 L312 G313P306-I309 PolarHBondContact O-N 2.88Å; I307-I309 VanDerWaalsContact C-N 3.31Å; I307-I309 PolarHBondContact O-N 3.31Å; I309-L312 PolarHBondContact O-N 3.3Å; I309-G313 PolarHBondContact O-N 3.01Å
310I91.6Very high86.5Confident52 Ų5234.1 Ų34.127%0.26720%0.199SC..Hα-helixtrans-61.4-46.4174.8-65.3169.6000111.2P306 I307 L308 L312 G313 I314 A521 L528P306-I310 WeakPolarHBondContact O-CG1 2.87Å; P306-I310 PolarHBondContact O-N 3.43Å; P306-I310 VanDerWaalsContact O-N 3.12Å; I307-I310 PolarHBondContact O-N 2.94Å; L308-I310 VanDerWaalsContact C-N 3.32Å; L308-I310 PolarHBondContact O-N 3.28Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 2.89Å; I310-G313 PolarHBondContact O-N 3.28Å; I310-G313 VanDerWaalsContact O-N 3.16Å; I310-I314 HydrophobicContact CG2-CD1 4.04Å; I310-I314 WeakPolarHBondContact O-CG1 2.97Å; I310-I314 PolarHBondContact O-N 2.89Å; I310-A521 HydrophobicContact CG2-CB 4.15Å; I310-L528 HydrophobicContact CD1-CD1 3.45Å; I310-L528 VanDerWaalsContact CD1-CD1 3.45Å
311I92.9Very high87.3Confident1 Ų133.2 Ų33.21%0.00519%0.193CC..Hα-helixtrans-62.7-41.2178.9-63.5159.9000111.1I307 L308 G313 I314 L315 F408 L457 L460 I461 W464I307-I311 HydrophobicContact CG2-CD1 3.89Å; I307-I311 HydrophobicContact CG2-CG1 4.47Å; I307-I311 VanDerWaalsContact O-CG1 3.31Å; I307-I311 WeakPolarHBondContact O-CG1 3.45Å; I307-I311 PolarHBondContact O-N 3.4Å; L308-I311 PolarHBondContact O-N 3.49Å; I311-G313 VanDerWaalsContact C-N 3.33Å; I311-I314 PolarHBondContact O-N 3.09Å; I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 PolarHBondContact O-N 3.38Å; I311-F408 HydrophobicContact CD1-CZ 4.08Å; I311-F408 HydrophobicContact CG1-CZ 3.93Å; I311-L457 HydrophobicContact CG2-CD2 4.11Å; I311-L460 HydrophobicContact CD1-CB 4.14Å; I311-L460 HydrophobicContact CG2-CB 4.13Å; I311-I461 HydrophobicContact CG2-CD1 4.22Å; I311-I461 HydrophobicContact CG2-CG1 3.58Å; I311-W464 HydrophobicContact CD1-CB 4.38Å; I311-W464 HydrophobicContact CD1-CG 4.03Å
312L93.1Very high87.3Confident9 Ų932.7 Ų32.75%0.04719%0.19CC..Hα-helixtrans-65.5-36.3175-70.3173.3000112V301 L308 I309 I310 L315 F316 I461 F476 A477 I480V301-L312 HydrophobicContact CG1-CD1 3.55Å; L308-L312 WeakPolarHBondContact O-CB 3.44Å; L308-L312 VanDerWaalsContact O-CG 3.3Å; L308-L312 WeakPolarHBondContact O-CG 3.27Å; L308-L312 PolarHBondContact O-N 3.46Å; I309-L312 PolarHBondContact O-N 3.3Å; I310-L312 VanDerWaalsContact C-N 3.34Å; I310-L312 PolarHBondContact O-N 2.89Å; L312-L315 HydrophobicContact CD2-CD2 4.43Å; L312-L315 WeakPolarHBondContact O-CB 3.43Å; L312-L315 PolarHBondContact O-N 3.22Å; L312-F316 PolarHBondContact O-N 3.04Å; L312-I461 HydrophobicContact CD2-CD1 3.9Å; L312-I461 HydrophobicContact CD2-CG1 4.4Å; L312-F476 HydrophobicContact CD1-CD1 4.22Å; L312-F476 HydrophobicContact CD1-CE1 4.35Å; L312-A477 HydrophobicContact CD2-CB 3.73Å; L312-I480 HydrophobicContact CB-CD1 4.18Å; L312-I480 HydrophobicContact CD1-CD1 4.49Å; L312-I480 HydrophobicContact CD2-CD1 4.21Å
313G93.8Very high86.8Confident31 Ų3128.1 Ų28.132%0.3217%0.166SC..Hα-helixtrans-63.5-44.417200000112.4I309 I310 I311 L315 F316 I317I309-G313 PolarHBondContact O-N 3.01Å; I310-G313 PolarHBondContact O-N 3.28Å; I310-G313 VanDerWaalsContact O-N 3.16Å; I311-G313 VanDerWaalsContact C-N 3.33Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 2.98Å; G313-F316 WeakPolarHBondContact O-CB 3.35Å; G313-F316 PolarHBondContact O-N 3.04Å; G313-I317 VanDerWaalsContact O-CG1 3.3Å; G313-I317 WeakPolarHBondContact O-CG1 3.31Å; G313-I317 PolarHBondContact O-N 3.36Å
314I95.4Very high86.6Confident1 Ų125.9 Ų25.91%0.00515%0.149CC..Hα-helixtrans-60-46.2173.4-66.2165.5000110I310 I311 F316 I317 V318 L411 L415 L457 A518 A521 A522I310-I314 HydrophobicContact CG2-CD1 4.04Å; I310-I314 WeakPolarHBondContact O-CG1 2.97Å; I310-I314 PolarHBondContact O-N 2.89Å; I311-I314 PolarHBondContact O-N 3.09Å; I314-F316 VanDerWaalsContact C-N 3.31Å; I314-F316 PolarHBondContact O-N 3Å; I314-I317 PolarHBondContact O-N 2.74Å; I314-V318 HydrophobicContact CG2-CG2 3.98Å; I314-V318 WeakPolarHBondContact O-CB 3.35Å; I314-V318 WeakPolarHBondContact O-CG2 3.4Å; I314-V318 PolarHBondContact O-N 2.93Å; I314-L411 HydrophobicContact CG2-CD2 4.43Å; I314-L415 HydrophobicContact CG2-CD1 4.39Å; I314-L457 HydrophobicContact CB-CD2 4.29Å; I314-L457 HydrophobicContact CG2-CD2 3.77Å; I314-A518 HydrophobicContact CG2-CB 4.29Å; I314-A521 HydrophobicContact CD1-CB 4.11Å; I314-A521 HydrophobicContact CG1-CB 3.94Å; I314-A522 HydrophobicContact CD1-CB 4.1Å
315L94.7Very high86.7Confident2 Ų226.3 Ų26.31%0.0115%0.149CC..Hα-helixtrans-58-42.7177.7179.167.7000112.5I311 L312 G313 S319 F454 L457 I461 A477 S481I311-L315 WeakPolarHBondContact O-CB 3.48Å; I311-L315 PolarHBondContact O-N 3.38Å; L312-L315 HydrophobicContact CD2-CD2 4.43Å; L312-L315 WeakPolarHBondContact O-CB 3.43Å; L312-L315 PolarHBondContact O-N 3.22Å; G313-L315 VanDerWaalsContact C-N 3.34Å; G313-L315 PolarHBondContact O-N 2.98Å; L315-S319 VanDerWaalsContact O-CB 3.29Å; L315-S319 WeakPolarHBondContact O-CB 3.12Å; L315-S319 PolarHBondContact O-N 3.19Å; L315-S319 PolarHBondContact O-OG 3.35Å; L315-F454 HydrophobicContact CD1-CD1 3.95Å; L315-F454 HydrophobicContact CD1-CE1 3.77Å; L315-L457 HydrophobicContact CB-CD1 4.25Å; L315-L457 HydrophobicContact CD1-CB 4.06Å; L315-L457 HydrophobicContact CD1-CD1 3.71Å; L315-L457 HydrophobicContact CD1-CG 4.5Å; L315-I461 HydrophobicContact CD2-CD1 3.83Å; L315-A477 HydrophobicContact CD2-CB 3.67Å; L315-A477 WeakPolarHBondContact CD2-O 3.46Å; L315-S481 WeakPolarHBondContact CD1-OG 2.92Å; L315-S481 WeakPolarHBondContact CD2-OG 3.17Å; L315-S481 WeakPolarHBondContact CG-OG 3.45Å
316F94.9Very high86.1Confident72 Ų7223.5 Ų23.532%0.31613%0.134SC..Hα-helixtrans-60.9-51.3175.3-176.4-113.8000111.7L312 G313 I314 V318 S319 I320 I480 I483 I487L312-F316 PolarHBondContact O-N 3.04Å; G313-F316 WeakPolarHBondContact O-CB 3.35Å; G313-F316 PolarHBondContact O-N 3.04Å; I314-F316 VanDerWaalsContact C-N 3.31Å; I314-F316 PolarHBondContact O-N 3Å; F316-V318 PolarHBondContact O-N 3.44Å; F316-S319 WeakPolarHBondContact O-CB 3.38Å; F316-S319 PolarHBondContact O-N 3Å; F316-I320 HydrophobicContact CD1-CD1 3.94Å; F316-I320 HydrophobicContact CD2-CD1 4.47Å; F316-I320 HydrophobicContact CE1-CD1 3.5Å; F316-I320 HydrophobicContact CE2-CD1 4.09Å; F316-I320 HydrophobicContact CG-CD1 4.42Å; F316-I320 HydrophobicContact CZ-CD1 3.61Å; F316-I320 WeakPolarHBondContact O-CG1 3.48Å; F316-I320 PolarHBondContact O-N 3.31Å; F316-I320 VanDerWaalsContact O-N 3.16Å; F316-I480 HydrophobicContact CB-CG2 3.55Å; F316-I480 HydrophobicContact CD2-CG2 3.71Å; F316-I480 HydrophobicContact CG-CG2 4.07Å; F316-I483 HydrophobicContact CE2-CB 4.33Å; F316-I483 HydrophobicContact CE2-CG2 3.9Å; F316-I487 HydrophobicContact CE2-CD1 4.08Å; F316-I487 HydrophobicContact CZ-CD1 3.69Å
317I95.2Very high85.9Confident31 Ų3119.6 Ų19.616%0.15911%0.108CC..Hα-helixtrans-61.2-43.9-179.2-68170.5000111.4G313 I314 S319 I320 S321 M514 V517 A518G313-I317 VanDerWaalsContact O-CG1 3.3Å; G313-I317 WeakPolarHBondContact O-CG1 3.31Å; G313-I317 PolarHBondContact O-N 3.36Å; I314-I317 PolarHBondContact O-N 2.74Å; I317-S319 VanDerWaalsContact C-N 3.34Å; I317-I320 PolarHBondContact O-N 3.48Å; I317-S321 WeakPolarHBondContact O-CB 3.28Å; I317-S321 PolarHBondContact O-N 2.79Å; I317-S321 PolarHBondContact O-OG 2.95Å; I317-M514 HydrophobicContact CG2-CB 3.9Å; I317-M514 HydrophobicContact CG2-CE 4.22Å; I317-M514 WeakPolarHBondContact CG2-O 3.35Å; I317-V517 HydrophobicContact CD1-CG1 4.09Å; I317-A518 HydrophobicContact CB-CB 4.41Å; I317-A518 HydrophobicContact CG2-CB 3.89Å
318V93.9Very high86Confident0 Ų019.3 Ų19.30%011%0.107CC..Hα-helixtrans-63.6-41.6177.8169.30000110.7I314 F316 I320 S321 A322 M323 L415 N453 L457I314-V318 HydrophobicContact CG2-CG2 3.98Å; I314-V318 WeakPolarHBondContact O-CB 3.35Å; I314-V318 WeakPolarHBondContact O-CG2 3.4Å; I314-V318 PolarHBondContact O-N 2.93Å; F316-V318 PolarHBondContact O-N 3.44Å; V318-I320 PolarHBondContact O-N 2.89Å; V318-S321 PolarHBondContact O-N 3.15Å; V318-A322 HydrophobicContact CG1-CB 4.2Å; V318-A322 PolarHBondContact O-N 2.98Å; V318-M323 HydrophobicContact CG1-CE 3.64Å; V318-M323 HydrophobicContact CG1-CG 3.94Å; V318-M323 HydrophobicContact CG1-SD 4Å; V318-M323 WeakPolarHBondContact O-CG 3.11Å; V318-M323 PolarHBondContact O-N 3.44Å; V318-L415 HydrophobicContact CG2-CD2 3.5Å; V318-N453 HydrophobicContact CG1-CB 3.98Å; V318-L457 HydrophobicContact CB-CD1 4.34Å; V318-L457 HydrophobicContact CG1-CD1 4.28Å; V318-L457 HydrophobicContact CG2-CD1 4.39Å
319S91.6Very high86.1Confident1 Ų119.6 Ų19.61%0.00711%0.109CC..Hα-helixtrans-62.7-30177.9-600000112.9L315 F316 I317 S481L315-S319 VanDerWaalsContact O-CB 3.29Å; L315-S319 WeakPolarHBondContact O-CB 3.12Å; L315-S319 PolarHBondContact O-N 3.19Å; L315-S319 PolarHBondContact O-OG 3.35Å; F316-S319 WeakPolarHBondContact O-CB 3.38Å; F316-S319 PolarHBondContact O-N 3Å; I317-S319 VanDerWaalsContact C-N 3.34Å; S319-S481 WeakPolarHBondContact CB-O 3.38Å; S319-S481 WeakPolarHBondContact OG-CA 3.41Å; S319-S481 WeakPolarHBondContact OG-CB 3.37Å
320I92.7Very high86.1Confident10 Ų1016.4 Ų16.45%0.0519%0.093CC..Hα-helixtrans-79.3-44175.5-62.2167.6000112.1F316 I317 V318 G484 I487 S488 M514F316-I320 HydrophobicContact CD1-CD1 3.94Å; F316-I320 HydrophobicContact CD2-CD1 4.47Å; F316-I320 HydrophobicContact CE1-CD1 3.5Å; F316-I320 HydrophobicContact CE2-CD1 4.09Å; F316-I320 HydrophobicContact CG-CD1 4.42Å; F316-I320 HydrophobicContact CZ-CD1 3.61Å; F316-I320 WeakPolarHBondContact O-CG1 3.48Å; F316-I320 PolarHBondContact O-N 3.31Å; F316-I320 VanDerWaalsContact O-N 3.16Å; I317-I320 PolarHBondContact O-N 3.48Å; V318-I320 PolarHBondContact O-N 2.89Å; I320-G484 WeakPolarHBondContact CG1-O 3.01Å; I320-I487 HydrophobicContact CD1-CB 4.48Å; I320-I487 HydrophobicContact CD1-CD1 4.13Å; I320-I487 HydrophobicContact CD1-CG2 4.26Å; I320-I487 HydrophobicContact CG1-CB 4.23Å; I320-I487 HydrophobicContact CG1-CG2 4.27Å; I320-I487 HydrophobicContact CG2-CG2 4.07Å; I320-S488 VanDerWaalsContact O-CB 3.3Å; I320-S488 WeakPolarHBondContact O-CB 3.18Å; I320-S488 PolarHBondContact O-OG 2.67Å; I320-S488 VanDerWaalsContact O-OG 3.08Å; I320-M514 HydrophobicContact CB-CE 3.68Å; I320-M514 HydrophobicContact CD1-CE 3.74Å; I320-M514 HydrophobicContact CG1-CE 4.3Å; I320-M514 HydrophobicContact CG2-CE 3.61Å; I320-M514 HydrophobicContact CG2-SD 3.89Å
321S89.9Confident86Confident1 Ų113.9 Ų13.91%0.0078%0.08CC..Hα-helixtrans-100-27.6-163.255.90000115.2I317 V318 R422I317-S321 WeakPolarHBondContact O-CB 3.28Å; I317-S321 PolarHBondContact O-N 2.79Å; I317-S321 PolarHBondContact O-OG 2.95Å; V318-S321 PolarHBondContact O-N 3.15Å; S321-R422 PolarHBondContact O-NE 2.62Å; S321-R422 PolarHBondContact O-NH2 2.94Å
322A72.2Confident86Confident0 Ų014.1 Ų14.10%08%0.081CC..THydrogen-bonded Turntrans-118.1-27.9-167.300000114.4V318 M418 K450 L515V318-A322 HydrophobicContact CG1-CB 4.2Å; V318-A322 PolarHBondContact O-N 2.98Å; A322-M418 HydrophobicContact CB-CE 3.83Å; A322-M418 HydrophobicContact CB-CG 4.42Å; A322-K450 WeakPolarHBondContact O-CG 3.1Å; A322-L515 HydrophobicContact CB-CD2 4.14Å
323M65.3Low86Confident18 Ų1814 Ų149%0.0898%0.08CC..SBendtrans-87.3-28.9-160.9-65.7-6495.300115.6V318 K450 N453 F454V318-M323 HydrophobicContact CG1-CE 3.64Å; V318-M323 HydrophobicContact CG1-CG 3.94Å; V318-M323 HydrophobicContact CG1-SD 4Å; V318-M323 WeakPolarHBondContact O-CG 3.11Å; V318-M323 PolarHBondContact O-N 3.44Å; M323-K450 HydrophobicContact CE-CG 4.05Å; M323-K450 VanDerWaalsContact CE-O 3.24Å; M323-K450 WeakPolarHBondContact CE-O 3.34Å; M323-K450 WeakPolarHBondContact O-CE 3.48Å; M323-N453 HydrophobicContact CE-CB 3.96Å; M323-F454 HydrophobicContact CB-CE2 3.85Å; M323-F454 HydrophobicContact CB-CZ 4.48Å; M323-F454 HydrophobicContact CG-CD2 4.01Å; M323-F454 HydrophobicContact CG-CE2 3.29Å; M323-F454 HydrophobicContact CG-CZ 3.87Å; M323-F454 HydrophobicContact SD-CD2 3.16Å; M323-F454 WeakPolarHBondContact SD-CD2 3.37Å; M323-F454 HydrophobicContact SD-CE2 3.13Å; M323-F454 WeakPolarHBondContact SD-CE2 3.39Å; M323-F454 HydrophobicContact SD-CG 4.22Å; M323-F454 HydrophobicContact SD-CZ 4.13Å
324V64.7Low85.9Confident40 Ų4013 Ų1324%0.2427%0.067CC..  trans-118.7122.8178.5-174.40000108.6S326 L485 V489V324-S326 PolarHBondContact O-N 3.35Å; V324-L485 HydrophobicContact CG2-CD1 3.86Å; V324-L485 HydrophobicContact CG2-CG 3.91Å; V324-V489 HydrophobicContact CB-CG1 4.28Å; V324-V489 HydrophobicContact CG1-CG1 3.82Å
325D70.7Confident85.6Confident38 Ų3813 Ų1320%0.2037%0.068CC..  trans-71.191.9163.2-67.6-62000106.1K447 K450D325-K447 VanDerWaalsContact CG-CE 3.46Å; D325-K447 VanDerWaalsContact OD1-CE 3.27Å; D325-K447 WeakPolarHBondContact OD1-CE 3.36Å; D325-K447 IonicContact OD1-NZ 2.94Å; D325-K447 PolarHBondContact OD1-NZ 2.96Å; D325-K447 WeakPolarHBondContact OD2-CE 3.47Å; D325-K447 IonicContact OD2-NZ 3.4Å; D325-K447 PolarHBondContact OD2-NZ 3.33Å; D325-K450 IonicContact OD2-NZ 3.02Å; D325-K450 PolarHBondContact OD2-NZ 3.47Å
326S66.2Low85.2Confident1 Ų116.4 Ų16.41%0.0078%0.084CC..  trans-65.6147.5-177.6177.40000109.2V324 F328 V329 S488 P493V324-S326 PolarHBondContact O-N 3.35Å; S326-F328 VanDerWaalsContact CB-CD1 3.41Å; S326-F328 VanDerWaalsContact CB-CE1 3.43Å; S326-F328 PolarHBondContact O-N 3.02Å; S326-F328 VanDerWaalsContact OG-CD1 3.3Å; S326-F328 WeakPolarHBondContact OG-CD1 3.24Å; S326-V329 WeakPolarHBondContact O-CB 3.23Å; S326-V329 WeakPolarHBondContact O-CG2 3.28Å; S326-V329 PolarHBondContact O-N 3.24Å; S326-S488 PolarHBondContact OG-O 3.43Å; S326-P493 WeakPolarHBondContact OG-CG 3.4Å
327P79.9Confident84.9Confident9 Ų913.7 Ų13.76%0.0587%0.073CC..THydrogen-bonded Turntrans-60.8-13.2-170.826.2-40.2000114.7D46 Q90 N94 V329 T330 V331D46-P327 HydrophobicContact CB-CB 4.44Å; D46-P327 VanDerWaalsContact CG-CB 3.48Å; D46-P327 VanDerWaalsContact OD1-CB 3.26Å; D46-P327 WeakPolarHBondContact OD1-CB 3.36Å; D46-P327 WeakPolarHBondContact OD2-CB 3.46Å; Q90-P327 HydrophobicContact CB-CB 4.37Å; Q90-P327 HydrophobicContact CB-CG 3.85Å; Q90-P327 HydrophobicContact CG-CB 4.04Å; Q90-P327 HydrophobicContact CG-CG 4.07Å; Q90-P327 PolarHBondContact OE1-O 2.88Å; N94-P327 WeakPolarHBondContact ND2-CG 3.16Å; P327-V329 PolarHBondContact O-N 2.86Å; P327-T330 VanDerWaalsContact O-CB 3.25Å; P327-T330 WeakPolarHBondContact O-CB 3.43Å; P327-T330 PolarHBondContact O-N 3.44Å; P327-V331 PolarHBondContact O-N 3.31Å
328F87.6Confident84.7Confident2 Ų212.4 Ų12.41%0.0097%0.066CC..Hα-helixtrans-60.3-29.7168.879.4-101.3000113S326 T330 V331 Y332 L492 P493 Y496 V507 F508S326-F328 VanDerWaalsContact CB-CD1 3.41Å; S326-F328 VanDerWaalsContact CB-CE1 3.43Å; S326-F328 PolarHBondContact O-N 3.02Å; S326-F328 VanDerWaalsContact OG-CD1 3.3Å; S326-F328 WeakPolarHBondContact OG-CD1 3.24Å; F328-T330 VanDerWaalsContact C-N 3.28Å; F328-T330 PolarHBondContact O-N 2.86Å; F328-V331 PolarHBondContact O-N 3.14Å; F328-Y332 VanDerWaalsContact O-CB 3.31Å; F328-Y332 WeakPolarHBondContact O-CB 3.14Å; F328-Y332 PolarHBondContact O-N 3.04Å; F328-L492 HydrophobicContact CD1-CB 4.08Å; F328-L492 HydrophobicContact CE1-CB 3.68Å; F328-L492 HydrophobicContact CE1-CD1 4.13Å; F328-P493 HydrophobicContact CB-CB 4.37Å; F328-P493 HydrophobicContact CB-CG 4.48Å; F328-P493 HydrophobicContact CD1-CG 4.26Å; F328-Y496 HydrophobicContact CB-CD1 4.19Å; F328-Y496 HydrophobicContact CB-CG 4.01Å; F328-Y496 HydrophobicContact CD2-CD2 4.11Å; F328-Y496 HydrophobicContact CD2-CG 4.36Å; F328-Y496 HydrophobicContact CG-CG 4.48Å; F328-V507 HydrophobicContact CD1-CG1 4.43Å; F328-V507 HydrophobicContact CD2-CG1 4.34Å; F328-V507 HydrophobicContact CE1-CG1 3.82Å; F328-V507 HydrophobicContact CE2-CB 4.13Å; F328-V507 HydrophobicContact CE2-CG1 3.72Å; F328-V507 HydrophobicContact CZ-CB 4.33Å; F328-V507 HydrophobicContact CZ-CG1 3.45Å; F328-V507 VanDerWaalsContact CZ-CG1 3.45Å; F328-F508 HydrophobicContact CD2-CZ 4.25Å; F328-F508 HydrophobicContact CE2-CD1 4.15Å; F328-F508 AromaticContact CE2-CE1 3.57Å; F328-F508 HydrophobicContact CE2-CE1 3.57Å; F328-F508 HydrophobicContact CE2-CE2 4.13Å; F328-F508 AromaticContact CE2-CZ 3.55Å; F328-F508 HydrophobicContact CE2-CZ 3.55Å; F328-F508 HydrophobicContact CZ-CD1 4.46Å; F328-F508 HydrophobicContact CZ-CE1 4.1Å
329V91.2Very high84.5Confident11 Ų1115.1 Ų15.17%0.0678%0.077CC..Hα-helixtrans-64.3-39.2177.6179.90000110.4S326 P327 Y332 L333 M425 F508S326-V329 WeakPolarHBondContact O-CB 3.23Å; S326-V329 WeakPolarHBondContact O-CG2 3.28Å; S326-V329 PolarHBondContact O-N 3.24Å; P327-V329 PolarHBondContact O-N 2.86Å; V329-Y332 PolarHBondContact O-N 3.46Å; V329-L333 HydrophobicContact CG1-CD1 4.05Å; V329-L333 HydrophobicContact CG1-CG 4.45Å; V329-L333 WeakPolarHBondContact O-CB 3.26Å; V329-L333 WeakPolarHBondContact O-CG 3.28Å; V329-L333 PolarHBondContact O-N 2.95Å; V329-M425 HydrophobicContact CG1-CE 4.48Å; V329-F508 HydrophobicContact CG2-CE1 3.85Å; V329-F508 HydrophobicContact CG2-CZ 4.09Å
330T89.8Confident84.6Confident14 Ų1415.1 Ų15.19%0.0868%0.077CC..Hα-helixtrans-58.7-53.1173.8-55.80000109.7P327 F328 Y332 L333 M334 L345P327-T330 VanDerWaalsContact O-CB 3.25Å; P327-T330 WeakPolarHBondContact O-CB 3.43Å; P327-T330 PolarHBondContact O-N 3.44Å; F328-T330 VanDerWaalsContact C-N 3.28Å; F328-T330 PolarHBondContact O-N 2.86Å; T330-Y332 VanDerWaalsContact C-N 3.31Å; T330-Y332 PolarHBondContact O-N 2.84Å; T330-L333 PolarHBondContact O-N 3.22Å; T330-M334 HydrophobicContact CG2-SD 4.07Å; T330-M334 VanDerWaalsContact O-CG 3.24Å; T330-M334 WeakPolarHBondContact O-CG 3.46Å; T330-M334 PolarHBondContact O-N 2.9Å; T330-L345 HydrophobicContact CG2-CD1 4.02Å
331V90.4Very high84.6Confident0 Ų016.5 Ų16.50%08%0.084CC..Hα-helixtrans-59.2-42.5179.1-179.90000111.9F50 Q83 T86 P327 F328 M334 S335 Y496F50-V331 HydrophobicContact CD2-CG1 4.17Å; F50-V331 HydrophobicContact CE2-CG1 4.04Å; Q83-V331 HydrophobicContact CB-CG1 3.67Å; Q83-V331 HydrophobicContact CG-CG1 3.56Å; T86-V331 HydrophobicContact CG2-CG2 3.5Å; P327-V331 PolarHBondContact O-N 3.31Å; F328-V331 PolarHBondContact O-N 3.14Å; V331-M334 PolarHBondContact O-N 2.96Å; V331-S335 WeakPolarHBondContact O-CB 3.36Å; V331-S335 PolarHBondContact O-N 3.4Å; V331-S335 PolarHBondContact O-OG 3.02Å; V331-Y496 HydrophobicContact CB-CE1 4.47Å; V331-Y496 HydrophobicContact CG1-CE1 4.03Å
332Y93.4Very high84.7Confident5 Ų516.5 Ų16.52%0.028%0.084CC..Hα-helixtrans-59.5-48.7177.4175.7-98.3000112.1F328 V329 T330 S335 F338 M425 Y429 Y496 P504 F508F328-Y332 VanDerWaalsContact O-CB 3.31Å; F328-Y332 WeakPolarHBondContact O-CB 3.14Å; F328-Y332 PolarHBondContact O-N 3.04Å; V329-Y332 PolarHBondContact O-N 3.46Å; T330-Y332 VanDerWaalsContact C-N 3.31Å; T330-Y332 PolarHBondContact O-N 2.84Å; Y332-S335 PolarHBondContact O-N 3.33Å; Y332-F338 HydrophobicContact CD1-CD2 4.43Å; Y332-F338 AromaticContact CD1-CE2 3.95Å; Y332-F338 HydrophobicContact CD1-CE2 3.95Å; Y332-F338 HydrophobicContact CE1-CD2 4.16Å; Y332-F338 AromaticContact CE1-CE2 3.29Å; Y332-F338 HydrophobicContact CE1-CE2 3.29Å; Y332-F338 AromaticContact CE1-CZ 3.55Å; Y332-F338 HydrophobicContact CE1-CZ 3.55Å; Y332-F338 HydrophobicContact CE2-CE2 4.07Å; Y332-F338 AromaticContact CZ-CE2 3.38Å; Y332-F338 AromaticContact CZ-CZ 3.66Å; Y332-F338 WeakPolarHBondContact O-CD2 3.42Å; Y332-F338 WeakPolarHBondContact OH-CZ 3.35Å; Y332-M425 HydrophobicContact CD1-CE 3.71Å; Y332-M425 HydrophobicContact CE1-CE 3.53Å; Y332-M425 PolarHBondContact OH-O 2.93Å; Y332-Y429 WeakPolarHBondContact OH-CB 3.38Å; Y332-Y429 PolarHBondContact OH-N 2.97Å; Y332-Y496 WeakPolarHBondContact CA-OH 3.48Å; Y332-Y496 AromaticContact CD2-CE2 3.98Å; Y332-Y496 HydrophobicContact CD2-CE2 3.98Å; Y332-P504 HydrophobicContact CD2-CB 4.43Å; Y332-P504 HydrophobicContact CE2-CB 4.13Å; Y332-F508 AromaticContact CD1-CE2 3.75Å; Y332-F508 HydrophobicContact CD1-CE2 3.75Å; Y332-F508 AromaticContact CD1-CZ 3.9Å; Y332-F508 HydrophobicContact CD1-CZ 3.9Å; Y332-F508 AromaticContact CD2-CE2 3.88Å; Y332-F508 HydrophobicContact CD2-CE2 3.88Å; Y332-F508 AromaticContact CE1-CE2 3.83Å; Y332-F508 HydrophobicContact CE1-CE2 3.83Å; Y332-F508 HydrophobicContact CE1-CZ 4.27Å; Y332-F508 AromaticContact CE2-CE2 3.93Å; Y332-F508 HydrophobicContact CE2-CE2 3.93Å; Y332-F508 AromaticContact CG-CE2 3.77Å; Y332-F508 HydrophobicContact CG-CE2 3.77Å; Y332-F508 HydrophobicContact CG-CZ 4.1Å; Y332-F508 AromaticContact CZ-CE2 3.9Å
333L93.6Very high85.8Confident6 Ų620.7 Ų20.73%0.03110%0.102CC..Hα-helixtrans-74.3-24-179-70.8177.3000113.7V329 T330 S335 F338 W340 L345 M425 V440V329-L333 HydrophobicContact CG1-CD1 4.05Å; V329-L333 HydrophobicContact CG1-CG 4.45Å; V329-L333 WeakPolarHBondContact O-CB 3.26Å; V329-L333 WeakPolarHBondContact O-CG 3.28Å; V329-L333 PolarHBondContact O-N 2.95Å; T330-L333 PolarHBondContact O-N 3.22Å; L333-S335 PolarHBondContact O-N 3.21Å; L333-F338 HydrophobicContact CD2-CD1 4.26Å; L333-F338 HydrophobicContact CD2-CD2 4.36Å; L333-F338 HydrophobicContact CD2-CG 4.13Å; L333-F338 WeakPolarHBondContact O-CB 3.31Å; L333-W340 HydrophobicContact CB-CB 4.39Å; L333-W340 HydrophobicContact CB-CD2 4.22Å; L333-W340 HydrophobicContact CB-CE3 4.35Å; L333-W340 HydrophobicContact CB-CG 4.25Å; L333-W340 HydrophobicContact CD1-CD2 4.41Å; L333-W340 HydrophobicContact CD1-CE3 3.94Å; L333-W340 HydrophobicContact CD1-CH2 4.38Å; L333-W340 HydrophobicContact CD1-CZ3 3.9Å; L333-W340 VanDerWaalsContact O-CB 3.26Å; L333-W340 WeakPolarHBondContact O-CB 2.87Å; L333-W340 PolarHBondContact O-N 3.3Å; L333-L345 HydrophobicContact CB-CD2 3.82Å; L333-L345 HydrophobicContact CD1-CD2 3.78Å; L333-L345 HydrophobicContact CG-CD2 4.47Å; L333-M425 HydrophobicContact CD2-CE 4.03Å; L333-M425 HydrophobicContact CG-CE 4.41Å; L333-V440 HydrophobicContact CD2-CB 4.43Å; L333-V440 HydrophobicContact CD2-CG1 3.8Å; L333-V440 HydrophobicContact CD2-CG2 3.78Å
334M90.6Very high87.2Confident10 Ų1022.5 Ų22.55%0.04911%0.11CC..Hα-helixtrans-76.8-11.1172.6-64.3-173.67800113.2Q47 F50 Y61 T330 V331 W340 L345Q47-M334 VanDerWaalsContact OE1-CE 3.31Å; Q47-M334 PolarHBondContact OE1-SD 3.38Å; F50-M334 HydrophobicContact CD1-CB 4.08Å; F50-M334 HydrophobicContact CD1-CE 3.88Å; F50-M334 HydrophobicContact CD1-CG 4.47Å; F50-M334 HydrophobicContact CD1-SD 3.63Å; F50-M334 HydrophobicContact CE1-CB 3.5Å; F50-M334 HydrophobicContact CE1-CE 4.16Å; F50-M334 HydrophobicContact CE1-CG 4.34Å; F50-M334 HydrophobicContact CE1-SD 4.05Å; F50-M334 HydrophobicContact CZ-CB 4.26Å; Y61-M334 HydrophobicContact CD2-CE 4.12Å; Y61-M334 HydrophobicContact CE2-CE 3.39Å; T330-M334 HydrophobicContact CG2-SD 4.07Å; T330-M334 VanDerWaalsContact O-CG 3.24Å; T330-M334 WeakPolarHBondContact O-CG 3.46Å; T330-M334 PolarHBondContact O-N 2.9Å; V331-M334 PolarHBondContact O-N 2.96Å; M334-W340 WeakPolarHBondContact CA-O 3.34Å; M334-W340 WeakPolarHBondContact CG-O 3.49Å; M334-L345 HydrophobicContact CG-CD1 3.23Å; M334-L345 HydrophobicContact SD-CD1 3.77Å
335S89.3Confident88.6Confident1 Ų120.6 Ų20.61%0.00710%0.098CC..SBendtrans-99.7172.1-173.2-60.90000112.6Q83 V331 Y332 L333 F338 W339Q83-S335 VanDerWaalsContact CD-CB 3.49Å; Q83-S335 VanDerWaalsContact CG-OG 3.3Å; Q83-S335 WeakPolarHBondContact CG-OG 3.45Å; Q83-S335 VanDerWaalsContact NE2-CB 3.28Å; Q83-S335 PolarHBondContact NE2-OG 3.35Å; Q83-S335 VanDerWaalsContact NE2-OG 3.08Å; Q83-S335 PolarHBondContact OE1-OG 3.01Å; V331-S335 WeakPolarHBondContact O-CB 3.36Å; V331-S335 PolarHBondContact O-N 3.4Å; V331-S335 PolarHBondContact O-OG 3.02Å; Y332-S335 PolarHBondContact O-N 3.33Å; L333-S335 PolarHBondContact O-N 3.21Å; S335-F338 PolarHBondContact O-N 2.8Å; S335-W339 PolarHBondContact O-N 2.91Å; S335-W339 VanDerWaalsContact O-N 3.08Å
336E85.6Confident89.7Confident74 Ų7418.8 Ų18.835%0.3469%0.089SC..THydrogen-bonded Turntrans-56.8137.9172.2-170.1-167.3160.500110.1K76 W339K76-E336 WeakPolarHBondContact CD-OE2 3.38Å; K76-E336 VanDerWaalsContact CE-OE2 3.27Å; K76-E336 WeakPolarHBondContact CE-OE2 3.43Å; K76-E336 VanDerWaalsContact NZ-CD 3.27Å; K76-E336 IonicContact NZ-OE1 2.82Å; K76-E336 PolarHBondContact NZ-OE1 3.47Å; K76-E336 IonicContact NZ-OE2 3.21Å; K76-E336 PolarHBondContact NZ-OE2 3.05Å; E336-W339 HydrophobicContact CB-CH2 4.14Å; E336-W339 HydrophobicContact CB-CZ2 3.61Å; E336-W339 HydrophobicContact CG-CZ2 3.9Å
337P88.6Confident91Very high15 Ų1521.7 Ų21.710%0.09710%0.103CC..THydrogen-bonded Turncis-93.27.61.937-37.6000115S433 A436P337-S433 WeakPolarHBondContact O-CA 3.48Å; P337-S433 WeakPolarHBondContact O-CB 3.34Å; P337-S433 PolarHBondContact O-OG 3.39Å; P337-A436 HydrophobicContact CB-CB 4.4Å; P337-A436 HydrophobicContact CG-CB 3.67Å
338F92.3Very high91.7Very high4 Ų421.9 Ų21.92%0.01811%0.105CC..THydrogen-bonded Turntrans-84.3-44.8-168.1-55.4-73.9000113.9Y332 L333 S335 W340 A428 A436 N437 V440Y332-F338 HydrophobicContact CD1-CD2 4.43Å; Y332-F338 AromaticContact CD1-CE2 3.95Å; Y332-F338 HydrophobicContact CD1-CE2 3.95Å; Y332-F338 HydrophobicContact CE1-CD2 4.16Å; Y332-F338 AromaticContact CE1-CE2 3.29Å; Y332-F338 HydrophobicContact CE1-CE2 3.29Å; Y332-F338 AromaticContact CE1-CZ 3.55Å; Y332-F338 HydrophobicContact CE1-CZ 3.55Å; Y332-F338 HydrophobicContact CE2-CE2 4.07Å; Y332-F338 AromaticContact CZ-CE2 3.38Å; Y332-F338 AromaticContact CZ-CZ 3.66Å; Y332-F338 WeakPolarHBondContact O-CD2 3.42Å; Y332-F338 WeakPolarHBondContact OH-CZ 3.35Å; L333-F338 HydrophobicContact CD2-CD1 4.26Å; L333-F338 HydrophobicContact CD2-CD2 4.36Å; L333-F338 HydrophobicContact CD2-CG 4.13Å; L333-F338 WeakPolarHBondContact O-CB 3.31Å; S335-F338 PolarHBondContact O-N 2.8Å; F338-W340 VanDerWaalsContact C-N 3.31Å; F338-W340 PolarHBondContact O-N 3.25Å; F338-A428 HydrophobicContact CE1-CB 3.75Å; F338-A428 HydrophobicContact CZ-CB 3.6Å; F338-A436 HydrophobicContact CD1-CB 4.02Å; F338-A436 HydrophobicContact CE1-CB 3.64Å; F338-A436 HydrophobicContact CZ-CB 4.37Å; F338-N437 PolarHBondContact O-ND2 2.97Å; F338-V440 HydrophobicContact CD1-CG2 3.74Å; F338-V440 HydrophobicContact CE1-CG2 3.35Å; F338-V440 HydrophobicContact CZ-CG2 4.16Å
339W89.2Confident91.9Very high57 Ų5723.4 Ų23.422%0.21611%0.114CC..  trans5441.3-179.7-51.1106.8000114.1I65 S335 E336I65-W339 HydrophobicContact CB-CH2 3.79Å; I65-W339 HydrophobicContact CB-CZ2 4.39Å; I65-W339 HydrophobicContact CB-CZ3 4.38Å; I65-W339 HydrophobicContact CD1-CH2 3.74Å; I65-W339 HydrophobicContact CD1-CZ3 4.15Å; I65-W339 HydrophobicContact CG1-CH2 3.55Å; I65-W339 HydrophobicContact CG1-CZ3 3.8Å; S335-W339 PolarHBondContact O-N 2.91Å; S335-W339 VanDerWaalsContact O-N 3.08Å; E336-W339 HydrophobicContact CB-CH2 4.14Å; E336-W339 HydrophobicContact CB-CZ2 3.61Å; E336-W339 HydrophobicContact CG-CZ2 3.9Å
340W93.4Very high92Very high2 Ų222.9 Ų22.91%0.00811%0.11CC..  trans-70.9136175.7-69.124.5000109.9L333 M334 F338 K344 L345 S348 N437 V440 Y441L333-W340 HydrophobicContact CB-CB 4.39Å; L333-W340 HydrophobicContact CB-CD2 4.22Å; L333-W340 HydrophobicContact CB-CE3 4.35Å; L333-W340 HydrophobicContact CB-CG 4.25Å; L333-W340 HydrophobicContact CD1-CD2 4.41Å; L333-W340 HydrophobicContact CD1-CE3 3.94Å; L333-W340 HydrophobicContact CD1-CH2 4.38Å; L333-W340 HydrophobicContact CD1-CZ3 3.9Å; L333-W340 VanDerWaalsContact O-CB 3.26Å; L333-W340 WeakPolarHBondContact O-CB 2.87Å; L333-W340 PolarHBondContact O-N 3.3Å; M334-W340 WeakPolarHBondContact CA-O 3.34Å; M334-W340 WeakPolarHBondContact CG-O 3.49Å; F338-W340 VanDerWaalsContact C-N 3.31Å; F338-W340 PolarHBondContact O-N 3.25Å; W340-K344 HydrophobicContact CB-CD 4.18Å; W340-K344 HydrophobicContact CD2-CD 3.76Å; W340-K344 HydrophobicContact CD2-CG 3.98Å; W340-K344 VanDerWaalsContact CE2-CE 3.48Å; W340-K344 HydrophobicContact CE3-CD 4.34Å; W340-K344 HydrophobicContact CE3-CG 4.04Å; W340-K344 HydrophobicContact CG-CD 3.66Å; W340-K344 HydrophobicContact CG-CG 4.23Å; W340-L345 HydrophobicContact CB-CD1 4.15Å; W340-L345 HydrophobicContact CB-CD2 4.38Å; W340-L345 HydrophobicContact CB-CG 3.89Å; W340-L345 HydrophobicContact CD2-CD2 4.4Å; W340-L345 HydrophobicContact CE3-CD2 3.54Å; W340-L345 HydrophobicContact CE3-CG 3.85Å; W340-L345 HydrophobicContact CZ3-CD2 4.23Å; W340-S348 WeakPolarHBondContact CZ3-OG 3.32Å; W340-N437 PolarHBondContact NE1-OD1 3.04Å; W340-V440 HydrophobicContact CH2-CG1 3.56Å; W340-V440 HydrophobicContact CZ2-CB 4.12Å; W340-V440 HydrophobicContact CZ2-CG1 3.43Å; W340-V440 VanDerWaalsContact CZ2-CG1 3.43Å; W340-Y441 HydrophobicContact CH2-CE1 4.26Å; W340-Y441 HydrophobicContact CZ2-CD1 4.49Å; W340-Y441 HydrophobicContact CZ2-CE1 4.15Å
341N92.9Very high92.2Very high38 Ų3826.6 Ų26.620%0.20313%0.129CC..  trans-90.7172.116965.425.5000110.9H224 K343 K344 L345H224-N341 PolarHBondContact CD2-ND2 3.42Å; H224-N341 PolarHBondContact NE2-ND2 3.39Å; H224-N341 VanDerWaalsContact NE2-ND2 3.2Å; N341-K343 VanDerWaalsContact C-N 3.25Å; N341-K343 PolarHBondContact O-N 2.99Å; N341-K343 PolarHBondContact OD1-N 2.9Å; N341-K344 PolarHBondContact O-N 3.49Å; N341-K344 WeakPolarHBondContact OD1-CB 3.29Å; N341-K344 PolarHBondContact OD1-N 3.25Å; N341-L345 PolarHBondContact O-N 2.8Å
342S92.4Very high92.3Very high1 Ų127 Ų271%0.00713%0.131CC..Hα-helixtrans-59.3-35.2-177.3-20.20000112.4Y61 G220 G346Y61-S342 PolarHBondContact OH-OG 3.16Å; G220-S342 WeakPolarHBondContact CA-O 3.2Å; G220-S342 CarbonylContact O-C 3.59Å; S342-G346 PolarHBondContact O-N 3.43Å
343K94.8Very high92.2Very high88 Ų8828.6 Ų28.638%0.38314%0.139SC..Hα-helixtrans-65.8-48.9177.6-180176.8179.7178.60111.8G220 H224 N341 L345 G346 L347G220-K343 WeakPolarHBondContact O-CA 3.39Å; G220-K343 PolarHBondContact O-N 3.49Å; H224-K343 HydrophobicContact CB-CB 3.81Å; N341-K343 VanDerWaalsContact C-N 3.25Å; N341-K343 PolarHBondContact O-N 2.99Å; N341-K343 PolarHBondContact OD1-N 2.9Å; K343-L345 VanDerWaalsContact C-N 3.34Å; K343-G346 PolarHBondContact O-N 2.77Å; K343-L347 HydrophobicContact CG-CD1 3.96Å; K343-L347 WeakPolarHBondContact O-CB 3.22Å; K343-L347 WeakPolarHBondContact O-CG 3.41Å; K343-L347 PolarHBondContact O-N 3.09Å
344K94.5Very high92Very high56 Ų5629.5 Ų29.524%0.24315%0.147CC..Hα-helixtrans-63-42.2179-171.3179.7-178.4-172.70111.1W340 N341 S348 N437 Y441W340-K344 HydrophobicContact CB-CD 4.18Å; W340-K344 HydrophobicContact CD2-CD 3.76Å; W340-K344 HydrophobicContact CD2-CG 3.98Å; W340-K344 VanDerWaalsContact CE2-CE 3.48Å; W340-K344 HydrophobicContact CE3-CD 4.34Å; W340-K344 HydrophobicContact CE3-CG 4.04Å; W340-K344 HydrophobicContact CG-CD 3.66Å; W340-K344 HydrophobicContact CG-CG 4.23Å; N341-K344 PolarHBondContact O-N 3.49Å; N341-K344 WeakPolarHBondContact OD1-CB 3.29Å; N341-K344 PolarHBondContact OD1-N 3.25Å; K344-S348 WeakPolarHBondContact O-CB 3.38Å; K344-S348 PolarHBondContact O-N 3.17Å; K344-N437 PolarHBondContact NZ-OD1 3.33Å; K344-Y441 WeakPolarHBondContact CE-OH 3.45Å; K344-Y441 PolarHBondContact NZ-OH 3.07Å
345L93.4Very high92.2Very high1 Ų131.6 Ų31.61%0.00516%0.162CC..Hα-helixtrans-62.4-51.2174.8-79.7161.8000112.5T330 L333 M334 W340 N341 K343 L347 S348 N349T330-L345 HydrophobicContact CG2-CD1 4.02Å; L333-L345 HydrophobicContact CB-CD2 3.82Å; L333-L345 HydrophobicContact CD1-CD2 3.78Å; L333-L345 HydrophobicContact CG-CD2 4.47Å; M334-L345 HydrophobicContact CG-CD1 3.23Å; M334-L345 HydrophobicContact SD-CD1 3.77Å; W340-L345 HydrophobicContact CB-CD1 4.15Å; W340-L345 HydrophobicContact CB-CD2 4.38Å; W340-L345 HydrophobicContact CB-CG 3.89Å; W340-L345 HydrophobicContact CD2-CD2 4.4Å; W340-L345 HydrophobicContact CE3-CD2 3.54Å; W340-L345 HydrophobicContact CE3-CG 3.85Å; W340-L345 HydrophobicContact CZ3-CD2 4.23Å; N341-L345 PolarHBondContact O-N 2.8Å; K343-L345 VanDerWaalsContact C-N 3.34Å; L345-L347 PolarHBondContact O-N 2.85Å; L345-S348 PolarHBondContact O-N 2.85Å; L345-N349 VanDerWaalsContact O-CB 3.31Å; L345-N349 WeakPolarHBondContact O-CB 3.31Å; L345-N349 PolarHBondContact O-N 3.38Å
346G94Very high92.3Very high0 Ų031.6 Ų31.60%016%0.162CC..Hα-helixtrans-60.3-45.2-179.800000112.7S216 S342 K343 G350S216-G346 WeakPolarHBondContact O-CA 3.39Å; S342-G346 PolarHBondContact O-N 3.43Å; K343-G346 PolarHBondContact O-N 2.77Å; G346-G350 PolarHBondContact O-N 3.06Å
347L95.1Very high92.4Very high61 Ų6128.9 Ų28.932%0.31915%0.152SC..Hα-helixtrans-64.1-47.4176-73.5172.6000112.1M217 K343 L345 I351M217-L347 HydrophobicContact CB-CD2 4.5Å; M217-L347 HydrophobicContact CE-CD2 3.8Å; K343-L347 HydrophobicContact CG-CD1 3.96Å; K343-L347 WeakPolarHBondContact O-CB 3.22Å; K343-L347 WeakPolarHBondContact O-CG 3.41Å; K343-L347 PolarHBondContact O-N 3.09Å; L345-L347 PolarHBondContact O-N 2.85Å; L347-I351 WeakPolarHBondContact O-CB 3.49Å; L347-I351 WeakPolarHBondContact O-CD1 3.4Å; L347-I351 WeakPolarHBondContact O-CG1 3.45Å; L347-I351 PolarHBondContact O-N 3.35Å
348S93.6Very high92.4Very high14 Ų1433 Ų3310%0.09817%0.173CC..Hα-helixtrans-63.2-46-179.7-178.90000111.9W340 K344 L345 T352 L444W340-S348 WeakPolarHBondContact CZ3-OG 3.32Å; K344-S348 WeakPolarHBondContact O-CB 3.38Å; K344-S348 PolarHBondContact O-N 3.17Å; L345-S348 PolarHBondContact O-N 2.85Å; S348-T352 VanDerWaalsContact O-CB 3.25Å; S348-T352 WeakPolarHBondContact O-CB 3.5Å; S348-T352 PolarHBondContact O-N 3.22Å; S348-T352 PolarHBondContact O-OG1 3.23Å; S348-L444 WeakPolarHBondContact OG-CD1 3.32Å
349N91.4Very high92.3Very high34 Ų3435.8 Ų35.818%0.18219%0.188CC..Hα-helixtrans-65-47.9178.7-76.3-7.1000110.9L345 T352 E353L345-N349 VanDerWaalsContact O-CB 3.31Å; L345-N349 WeakPolarHBondContact O-CB 3.31Å; L345-N349 PolarHBondContact O-N 3.38Å; N349-T352 PolarHBondContact O-N 3.15Å; N349-E353 VanDerWaalsContact O-CB 3.31Å; N349-E353 WeakPolarHBondContact O-CB 3.37Å; N349-E353 PolarHBondContact O-N 2.9Å
350G93.1Very high92.3Very high0 Ų033.8 Ų33.80%018%0.183CC..Hα-helixtrans-62.1-46-179.900000113.4A213 G346 T352 E353 A354A213-G350 WeakPolarHBondContact CB-O 3.3Å; A213-G350 VanDerWaalsContact O-CA 3.3Å; A213-G350 WeakPolarHBondContact O-CA 3.26Å; G346-G350 PolarHBondContact O-N 3.06Å; G350-T352 PolarHBondContact O-N 3.06Å; G350-E353 PolarHBondContact O-N 3.4Å; G350-A354 VanDerWaalsContact O-CB 3.3Å; G350-A354 WeakPolarHBondContact O-CB 3.38Å; G350-A354 PolarHBondContact O-N 2.96Å
351I94Very high92Very high91 Ų9137.1 Ų37.147%0.46720%0.2SC..Hα-helixtrans-62.6-45.5176.6-67.1166.5000110.4M217 L347 E353 A354 C355M217-I351 HydrophobicContact CE-CG1 4.46Å; L347-I351 WeakPolarHBondContact O-CB 3.49Å; L347-I351 WeakPolarHBondContact O-CD1 3.4Å; L347-I351 WeakPolarHBondContact O-CG1 3.45Å; L347-I351 PolarHBondContact O-N 3.35Å; I351-E353 PolarHBondContact O-N 3Å; I351-A354 PolarHBondContact O-N 2.94Å; I351-C355 WeakPolarHBondContact O-CB 3.39Å; I351-C355 PolarHBondContact O-N 2.91Å; I351-C355 PolarHBondContact O-SG 2.9Å; I351-C355 VanDerWaalsContact O-SG 3.34Å
352T92.7Very high91.8Very high9 Ų939.9 Ų39.96%0.05521%0.213CC..Hα-helixtrans-63.7-41.9-179-55.30000111.4S348 N349 G350 S356 K447 L448S348-T352 VanDerWaalsContact O-CB 3.25Å; S348-T352 WeakPolarHBondContact O-CB 3.5Å; S348-T352 PolarHBondContact O-N 3.22Å; S348-T352 PolarHBondContact O-OG1 3.23Å; N349-T352 PolarHBondContact O-N 3.15Å; G350-T352 PolarHBondContact O-N 3.06Å; T352-S356 VanDerWaalsContact O-CB 3.25Å; T352-S356 WeakPolarHBondContact O-CB 3.48Å; T352-S356 PolarHBondContact O-N 3.44Å; T352-S356 PolarHBondContact O-OG 3.03Å; T352-K447 HydrophobicContact CG2-CB 4.33Å; T352-K447 HydrophobicContact CG2-CD 3.93Å; T352-K447 HydrophobicContact CG2-CG 4.07Å; T352-L448 HydrophobicContact CG2-CD2 3.91Å; T352-L448 WeakPolarHBondContact O-CD2 3.32Å
353E90.8Very high91.6Very high38 Ų3841 Ų4118%0.17822%0.219CC..Hα-helixtrans-71.8-37.5-179.9-163.162.9-140.700111.9A213 N349 G350 I351 S356 A357 K450 N451A213-E353 HydrophobicContact CB-CB 4.18Å; N349-E353 VanDerWaalsContact O-CB 3.31Å; N349-E353 WeakPolarHBondContact O-CB 3.37Å; N349-E353 PolarHBondContact O-N 2.9Å; G350-E353 PolarHBondContact O-N 3.4Å; I351-E353 PolarHBondContact O-N 3Å; E353-S356 WeakPolarHBondContact CA-OG 3.17Å; E353-S356 PolarHBondContact O-N 3.28Å; E353-S356 PolarHBondContact O-OG 3.37Å; E353-A357 WeakPolarHBondContact O-CB 3.35Å; E353-A357 PolarHBondContact O-N 2.92Å; E353-K450 IonicContact OE2-NZ 2.79Å; E353-K450 PolarHBondContact OE2-NZ 3.42Å; E353-K450 VanDerWaalsContact OE2-NZ 3.09Å; E353-N451 PolarHBondContact OE1-ND2 2.85Å
354A91.3Very high91.1Very high25 Ų2539.6 Ų39.621%0.20722%0.218CC..Hα-helixtrans-64.2-47.117300000111.7A213 G350 I351 A357 L358A213-A354 HydrophobicContact CB-CB 4.05Å; G350-A354 VanDerWaalsContact O-CB 3.3Å; G350-A354 WeakPolarHBondContact O-CB 3.38Å; G350-A354 PolarHBondContact O-N 2.96Å; I351-A354 PolarHBondContact O-N 2.94Å; A354-A357 PolarHBondContact O-N 3.44Å; A354-L358 WeakPolarHBondContact O-CG 3.36Å; A354-L358 PolarHBondContact O-N 3.27Å
355C93.4Very high90.7Very high55 Ų5541.3 Ų41.337%0.37223%0.229SC..Hα-helixtrans-65-39.5177.5-72.10000112.1I351 L358 L359 L448I351-C355 WeakPolarHBondContact O-CB 3.39Å; I351-C355 PolarHBondContact O-N 2.91Å; I351-C355 PolarHBondContact O-SG 2.9Å; I351-C355 VanDerWaalsContact O-SG 3.34Å; C355-L358 PolarHBondContact O-N 3.42Å; C355-L359 WeakPolarHBondContact O-CB 3.16Å; C355-L359 PolarHBondContact O-N 3.01Å; C355-L448 HydrophobicContact CB-CD1 4.48Å; C355-L448 HydrophobicContact CB-CD2 3.49Å; C355-L448 VanDerWaalsContact CB-CD2 3.49Å
356S91.5Very high90.3Very high1 Ų145.4 Ų45.41%0.00725%0.251CS..Hα-helixtrans-66.7-37.5177.873.60000111.7T352 E353 S360 L448 N451T352-S356 VanDerWaalsContact O-CB 3.25Å; T352-S356 WeakPolarHBondContact O-CB 3.48Å; T352-S356 PolarHBondContact O-N 3.44Å; T352-S356 PolarHBondContact O-OG 3.03Å; E353-S356 WeakPolarHBondContact CA-OG 3.17Å; E353-S356 PolarHBondContact O-N 3.28Å; E353-S356 PolarHBondContact O-OG 3.37Å; S356-S360 WeakPolarHBondContact O-CB 3.36Å; S356-S360 PolarHBondContact O-N 2.72Å; S356-L448 WeakPolarHBondContact CB-O 3.38Å; S356-N451 PolarHBondContact OG-ND2 3.24Å
357A87.5Confident89.8Confident16 Ų1646.1 Ų46.113%0.13225%0.254CS..Hα-helixtrans-64.5-47.9174.100000111.8C209 E353 A354 L359 S360 I361C209-A357 HydrophobicContact CB-CB 4.17Å; E353-A357 WeakPolarHBondContact O-CB 3.35Å; E353-A357 PolarHBondContact O-N 2.92Å; A354-A357 PolarHBondContact O-N 3.44Å; A357-L359 VanDerWaalsContact C-N 3.34Å; A357-L359 PolarHBondContact O-N 3.26Å; A357-S360 WeakPolarHBondContact O-CB 3.3Å; A357-S360 PolarHBondContact O-N 2.87Å; A357-I361 WeakPolarHBondContact O-CG1 3.32Å; A357-I361 PolarHBondContact O-N 3.41Å
358L89.6Confident89.3Confident103 Ų10344.9 Ų44.954%0.53925%0.253SS..Hα-helixtrans-59.9-44176.4-71.3173.2000111.9A354 C355 S360 I361 I362A354-L358 WeakPolarHBondContact O-CG 3.36Å; A354-L358 PolarHBondContact O-N 3.27Å; C355-L358 PolarHBondContact O-N 3.42Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.45Å; L358-I361 PolarHBondContact O-N 3.47Å; L358-I362 WeakPolarHBondContact O-CG1 3.45Å; L358-I362 PolarHBondContact O-N 3.29Å
359L91Very high89Confident62 Ų6253.3 Ų53.333%0.32528%0.283SS..Hα-helixtrans-61.7-41.8176.6-174.964.4000111.6C355 A357 I362 I363 L448 I452C355-L359 WeakPolarHBondContact O-CB 3.16Å; C355-L359 PolarHBondContact O-N 3.01Å; A357-L359 VanDerWaalsContact C-N 3.34Å; A357-L359 PolarHBondContact O-N 3.26Å; L359-I362 PolarHBondContact O-N 3.32Å; L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CG-CD1 4Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.02Å; L359-L448 HydrophobicContact CD2-CB 4.04Å; L359-I452 HydrophobicContact CD2-CD1 3.99Å; L359-I452 HydrophobicContact CG-CD1 4.22Å
360S88.3Confident88.6Confident15 Ų1554.4 Ų54.411%0.10529%0.288CS..Hα-helixtrans-61.2-44.4175.9-170.80000111.7S356 A357 L358 I362 I363 V364 N451S356-S360 WeakPolarHBondContact O-CB 3.36Å; S356-S360 PolarHBondContact O-N 2.72Å; A357-S360 WeakPolarHBondContact O-CB 3.3Å; A357-S360 PolarHBondContact O-N 2.87Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.45Å; S360-I362 PolarHBondContact O-N 2.97Å; S360-I363 PolarHBondContact O-N 3.23Å; S360-V364 WeakPolarHBondContact O-CB 3.47Å; S360-V364 VanDerWaalsContact O-CG2 3.28Å; S360-V364 WeakPolarHBondContact O-CG2 3.36Å; S360-V364 PolarHBondContact O-N 2.86Å; S360-N451 PolarHBondContact OG-O 3.35Å
361I87Confident88Confident72 Ų7257.6 Ų57.637%0.36930%0.303SS..Hα-helixtrans-60.7-45.5176.7-67.1165.7000111.4A357 L358 I363 V364 N365A357-I361 WeakPolarHBondContact O-CG1 3.32Å; A357-I361 PolarHBondContact O-N 3.41Å; L358-I361 PolarHBondContact O-N 3.47Å; I361-I363 VanDerWaalsContact C-N 3.33Å; I361-I363 PolarHBondContact O-N 3.43Å; I361-V364 PolarHBondContact O-N 3.44Å; I361-N365 WeakPolarHBondContact O-CB 3.44Å; I361-N365 PolarHBondContact O-N 2.9Å; I361-N365 PolarHBondContact O-ND2 3.01Å
362I89.1Confident87.5Confident95 Ų9558.8 Ų58.849%0.48731%0.31SS..Hα-helixtrans-59.6-46.7178.2-68.2166000110.2L358 L359 S360 N365 I366L358-I362 WeakPolarHBondContact O-CG1 3.45Å; L358-I362 PolarHBondContact O-N 3.29Å; L359-I362 PolarHBondContact O-N 3.32Å; S360-I362 PolarHBondContact O-N 2.97Å; I362-N365 PolarHBondContact O-N 3.37Å; I362-I366 HydrophobicContact CG2-CD1 3.85Å; I362-I366 VanDerWaalsContact O-CG1 3.31Å; I362-I366 WeakPolarHBondContact O-CG1 3.45Å; I362-I366 PolarHBondContact O-N 3.34Å
363I86.7Confident87.1Confident26 Ų2661.4 Ų61.413%0.13333%0.328CS..Hα-helixtrans-68.5-41.9-178.3-69.9170.5000111.6L359 S360 I361 N365 I366 L367 L410 I452L359-I363 HydrophobicContact CD1-CD1 4.14Å; L359-I363 HydrophobicContact CG-CD1 4Å; L359-I363 WeakPolarHBondContact O-CG1 3.5Å; L359-I363 PolarHBondContact O-N 3.02Å; S360-I363 PolarHBondContact O-N 3.23Å; I361-I363 VanDerWaalsContact C-N 3.33Å; I361-I363 PolarHBondContact O-N 3.43Å; I363-N365 VanDerWaalsContact C-N 3.28Å; I363-N365 PolarHBondContact O-N 3.31Å; I363-I366 PolarHBondContact O-N 3.11Å; I363-I366 VanDerWaalsContact O-N 3.16Å; I363-L367 HydrophobicContact CG2-CD1 3.93Å; I363-L367 HydrophobicContact CG2-CG 4.18Å; I363-L367 WeakPolarHBondContact O-CB 3.3Å; I363-L367 VanDerWaalsContact O-CG 3.28Å; I363-L367 WeakPolarHBondContact O-CG 3.28Å; I363-L367 PolarHBondContact O-N 3.42Å; I363-L410 HydrophobicContact CG2-CD2 3.9Å; I363-I452 HydrophobicContact CB-CG2 4.47Å; I363-I452 HydrophobicContact CD1-CD1 3.3Å; I363-I452 HydrophobicContact CD1-CG1 3.81Å; I363-I452 HydrophobicContact CD1-CG2 4.07Å; I363-I452 HydrophobicContact CG2-CG2 3.86Å
364V84.4Confident86.6Confident58 Ų5861.1 Ų61.135%0.35233%0.327SS..Hα-helixtrans-59.2-41.7174.7169.40000110.8S360 I361 L367 A368 P455S360-V364 WeakPolarHBondContact O-CB 3.47Å; S360-V364 VanDerWaalsContact O-CG2 3.28Å; S360-V364 WeakPolarHBondContact O-CG2 3.36Å; S360-V364 PolarHBondContact O-N 2.86Å; I361-V364 PolarHBondContact O-N 3.44Å; V364-L367 PolarHBondContact O-N 3.12Å; V364-A368 WeakPolarHBondContact O-CB 3.31Å; V364-A368 PolarHBondContact O-N 3.21Å; V364-P455 HydrophobicContact CG2-CB 3.76Å; V364-P455 HydrophobicContact CG2-CG 4.02Å
365N86.2Confident85.9Confident91 Ų9162.8 Ų62.849%0.48734%0.337SS..Hα-helixtrans-64.5-40.7175.5-77.6-44000112.6I361 I362 I363 A368 R369I361-N365 WeakPolarHBondContact O-CB 3.44Å; I361-N365 PolarHBondContact O-N 2.9Å; I361-N365 PolarHBondContact O-ND2 3.01Å; I362-N365 PolarHBondContact O-N 3.37Å; I363-N365 VanDerWaalsContact C-N 3.28Å; I363-N365 PolarHBondContact O-N 3.31Å; N365-A368 PolarHBondContact O-N 2.81Å; N365-R369 WeakPolarHBondContact O-CG 3.48Å; N365-R369 PolarHBondContact O-N 3.18Å
366I86.5Confident85.3Confident88 Ų8863.6 Ų63.645%0.45134%0.341SS..Hα-helixtrans-63.3-46.4174.6-68.6166.2000110.3I362 I363 A368 R369 I370I362-I366 HydrophobicContact CG2-CD1 3.85Å; I362-I366 VanDerWaalsContact O-CG1 3.31Å; I362-I366 WeakPolarHBondContact O-CG1 3.45Å; I362-I366 PolarHBondContact O-N 3.34Å; I363-I366 PolarHBondContact O-N 3.11Å; I363-I366 VanDerWaalsContact O-N 3.16Å; I366-A368 PolarHBondContact O-N 3.46Å; I366-R369 PolarHBondContact O-N 3.46Å; I366-I370 HydrophobicContact CG2-CD1 3.78Å; I366-I370 HydrophobicContact CG2-CG1 4.4Å; I366-I370 VanDerWaalsContact O-CG1 3.32Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.48Å
367L83.8Confident84.6Confident14 Ų1471.9 Ų71.97%0.07337%0.372CS..Hα-helixtrans-60.8-43.9177.8-72.8175.1000112I363 V364 R369 I370 Q371 L407 L410 L456I363-L367 HydrophobicContact CG2-CD1 3.93Å; I363-L367 HydrophobicContact CG2-CG 4.18Å; I363-L367 WeakPolarHBondContact O-CB 3.3Å; I363-L367 VanDerWaalsContact O-CG 3.28Å; I363-L367 WeakPolarHBondContact O-CG 3.28Å; I363-L367 PolarHBondContact O-N 3.42Å; V364-L367 PolarHBondContact O-N 3.12Å; L367-R369 VanDerWaalsContact C-N 3.34Å; L367-R369 PolarHBondContact O-N 3.49Å; L367-I370 PolarHBondContact O-N 3.46Å; L367-Q371 WeakPolarHBondContact O-CB 3.5Å; L367-Q371 WeakPolarHBondContact O-CG 3.36Å; L367-Q371 PolarHBondContact O-N 2.91Å; L367-L407 HydrophobicContact CD1-CD2 4.34Å; L367-L407 HydrophobicContact CD2-CD2 3.62Å; L367-L410 HydrophobicContact CD1-CD2 4.26Å; L367-L410 HydrophobicContact CD2-CD2 3.89Å; L367-L410 HydrophobicContact CG-CD2 4.31Å; L367-L456 HydrophobicContact CD1-CD2 3.54Å; L367-L456 HydrophobicContact CD1-CG 4.47Å
368A83.5Confident83.9Confident36 Ų3672.5 Ų72.530%0.29837%0.372SS..Hα-helixtrans-61.5-42.3175.600000111.4V364 N365 I366 Q371 L372V364-A368 WeakPolarHBondContact O-CB 3.31Å; V364-A368 PolarHBondContact O-N 3.21Å; N365-A368 PolarHBondContact O-N 2.81Å; I366-A368 PolarHBondContact O-N 3.46Å; A368-Q371 PolarHBondContact O-N 2.93Å; A368-L372 WeakPolarHBondContact O-CB 3.42Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.49Å; A368-L372 PolarHBondContact O-N 3.31Å
369R86.4Confident83.2Confident191 Ų19171.9 Ų71.972%0.72137%0.37SS*.Hα-helixtrans-64.6-41.3175.4-74.1-178.8-177.4-163.62.2112.6N365 I366 L367 L372 S373N365-R369 WeakPolarHBondContact O-CG 3.48Å; N365-R369 PolarHBondContact O-N 3.18Å; I366-R369 PolarHBondContact O-N 3.46Å; L367-R369 VanDerWaalsContact C-N 3.34Å; L367-R369 PolarHBondContact O-N 3.49Å; R369-L372 PolarHBondContact O-N 3.25Å; R369-S373 WeakPolarHBondContact O-CB 3.3Å; R369-S373 PolarHBondContact O-N 2.96Å
370I83.4Confident82.3Confident56 Ų5673.8 Ų73.829%0.28738%0.38SS..Hα-helixtrans-62.4-45.8176.1-69.1168.5000110I366 L367 S373 Q374 L403I366-I370 HydrophobicContact CG2-CD1 3.78Å; I366-I370 HydrophobicContact CG2-CG1 4.4Å; I366-I370 VanDerWaalsContact O-CG1 3.32Å; I366-I370 WeakPolarHBondContact O-CG1 3.37Å; I366-I370 PolarHBondContact O-N 3.48Å; L367-I370 PolarHBondContact O-N 3.46Å; I370-S373 PolarHBondContact O-N 3.01Å; I370-Q374 WeakPolarHBondContact O-CB 3.31Å; I370-Q374 VanDerWaalsContact O-CG 3.27Å; I370-Q374 WeakPolarHBondContact O-CG 3.4Å; I370-Q374 PolarHBondContact O-N 3.29Å; I370-L403 HydrophobicContact CG2-CD1 4.34Å
371Q81.3Confident81.2Confident67 Ų6776.9 Ų76.931%0.31339%0.392SS..Hα-helixtrans-59.8-46.9176.2-77.3176.7-2400112L367 A368 Q374 S375 L403L367-Q371 WeakPolarHBondContact O-CB 3.5Å; L367-Q371 WeakPolarHBondContact O-CG 3.36Å; L367-Q371 PolarHBondContact O-N 2.91Å; A368-Q371 PolarHBondContact O-N 2.93Å; Q371-Q374 PolarHBondContact O-N 3.45Å; Q371-S375 WeakPolarHBondContact O-CB 3.44Å; Q371-S375 PolarHBondContact O-N 3.44Å; Q371-L403 HydrophobicContact CB-CD1 4.47Å; Q371-L403 HydrophobicContact CG-CD1 3.66Å
372L82.5Confident80.1Confident117 Ų11778.1 Ų78.161%0.61340%0.399SS*.Hα-helixtrans-63.1-46.5177.9-72.5170.8000111.8A368 R369 Q374 S375 T376A368-L372 WeakPolarHBondContact O-CB 3.42Å; A368-L372 VanDerWaalsContact O-CG 3.24Å; A368-L372 WeakPolarHBondContact O-CG 3.49Å; A368-L372 PolarHBondContact O-N 3.31Å; R369-L372 PolarHBondContact O-N 3.25Å; L372-Q374 PolarHBondContact O-N 2.97Å; L372-S375 PolarHBondContact O-N 3.34Å; L372-T376 WeakPolarHBondContact O-CG2 3.5Å; L372-T376 PolarHBondContact O-N 2.97Å; L372-T376 PolarHBondContact O-OG1 3.02Å
373S84.6Confident78.9Confident64 Ų6479.8 Ų79.845%0.44841%0.409SS..Hα-helixtrans-62.3-28.7178.7-179.90000113.1R369 I370 T376 R377R369-S373 WeakPolarHBondContact O-CB 3.3Å; R369-S373 PolarHBondContact O-N 2.96Å; I370-S373 PolarHBondContact O-N 3.01Å; S373-T376 WeakPolarHBondContact CA-OG1 3.47Å; S373-T376 PolarHBondContact O-OG1 3.19Å; S373-R377 WeakPolarHBondContact O-CG 3.28Å; S373-R377 PolarHBondContact O-N 2.88Å
374Q80.6Confident77.7Confident31 Ų3186.4 Ų86.415%0.14544%0.439CS..Hα-helixtrans-81-40.3176.2-72.5-179.513.700111.5I370 Q371 L372 T376 R377 L378 I399I370-Q374 WeakPolarHBondContact O-CB 3.31Å; I370-Q374 VanDerWaalsContact O-CG 3.27Å; I370-Q374 WeakPolarHBondContact O-CG 3.4Å; I370-Q374 PolarHBondContact O-N 3.29Å; Q371-Q374 PolarHBondContact O-N 3.45Å; L372-Q374 PolarHBondContact O-N 2.97Å; Q374-T376 VanDerWaalsContact C-N 3.3Å; Q374-T376 PolarHBondContact O-N 3.32Å; Q374-R377 PolarHBondContact O-N 3.18Å; Q374-L378 PolarHBondContact O-N 2.72Å; Q374-L378 VanDerWaalsContact O-N 3.15Å; Q374-I399 HydrophobicContact CB-CG2 3.81Å; Q374-I399 HydrophobicContact CG-CG2 4.19Å
375S77.5Confident76.4Confident61 Ų6187.9 Ų87.943%0.42744%0.442SS..Hα-helixtrans-61.5-37.4172.9-174.20000112.2Q371 L372 L378 N379Q371-S375 WeakPolarHBondContact O-CB 3.44Å; Q371-S375 PolarHBondContact O-N 3.44Å; L372-S375 PolarHBondContact O-N 3.34Å; S375-L378 PolarHBondContact O-N 3.07Å; S375-N379 PolarHBondContact O-N 3.27Å
376T79.5Confident75Confident72 Ų7289.9 Ų89.944%0.44246%0.464SS..Hα-helixtrans-70.4-34.6175.953.70000112.7L372 S373 Q374 L378 N379 N380L372-T376 WeakPolarHBondContact O-CG2 3.5Å; L372-T376 PolarHBondContact O-N 2.97Å; L372-T376 PolarHBondContact O-OG1 3.02Å; S373-T376 WeakPolarHBondContact CA-OG1 3.47Å; S373-T376 PolarHBondContact O-OG1 3.19Å; Q374-T376 VanDerWaalsContact C-N 3.3Å; Q374-T376 PolarHBondContact O-N 3.32Å; T376-L378 VanDerWaalsContact C-N 3.3Å; T376-L378 PolarHBondContact O-N 3.04Å; T376-N379 PolarHBondContact O-N 3.16Å; T376-N380 WeakPolarHBondContact O-CB 3.5Å; T376-N380 PolarHBondContact O-N 3.04Å
377R78.1Confident73.5Confident174 Ų17489.4 Ų89.466%0.65747%0.465SS*.Hα-helixtrans-64.2-34.3174.1-84179.1160.3-163.9-5.2112.9S373 Q374 K381S373-R377 WeakPolarHBondContact O-CG 3.28Å; S373-R377 PolarHBondContact O-N 2.88Å; Q374-R377 PolarHBondContact O-N 3.18Å; R377-K381 PolarHBondContact O-N 3.15Å
378L72.3Confident72.6Confident29 Ų2994.5 Ų94.515%0.15249%0.492CS..Hα-helixtrans-65.8-56.6173.1-68.3168.1000110.2Q374 S375 T376 N380 K381 D382 E396 I399Q374-L378 PolarHBondContact O-N 2.72Å; Q374-L378 VanDerWaalsContact O-N 3.15Å; S375-L378 PolarHBondContact O-N 3.07Å; T376-L378 VanDerWaalsContact C-N 3.3Å; T376-L378 PolarHBondContact O-N 3.04Å; L378-N380 PolarHBondContact O-N 3.32Å; L378-N380 VanDerWaalsContact O-N 3.13Å; L378-K381 PolarHBondContact O-N 2.78Å; L378-D382 PolarHBondContact O-N 2.82Å; L378-E396 HydrophobicContact CD1-CG 4.26Å; L378-E396 HydrophobicContact CD2-CB 4Å; L378-E396 HydrophobicContact CD2-CG 4Å; L378-I399 HydrophobicContact CD1-CG2 4.28Å; L378-I399 HydrophobicContact CD2-CB 4.28Å; L378-I399 HydrophobicContact CD2-CD1 3.45Å; L378-I399 VanDerWaalsContact CD2-CD1 3.45Å; L378-I399 HydrophobicContact CD2-CG1 4.42Å; L378-I399 HydrophobicContact CD2-CG2 4.5Å; L378-I399 HydrophobicContact CG-CD1 3.95Å; L378-I399 HydrophobicContact CG-CG2 4.36Å
379N73.8Confident72Confident91 Ų9198.8 Ų98.849%0.48751%0.51SS..Hα-helixtrans-59-32-179-69.35.9000114.1S375 T376 N383S375-N379 PolarHBondContact O-N 3.27Å; T376-N379 PolarHBondContact O-N 3.16Å; N379-N383 PolarHBondContact O-ND2 3.14Å; N379-N383 VanDerWaalsContact O-ND2 3.13Å
380N73.7Confident71.5Confident102 Ų10295.2 Ų95.255%0.54551%0.505SS..Hα-helixtrans-74.6-27.6178.5-79.11.1000113.2T376 L378T376-N380 WeakPolarHBondContact O-CB 3.5Å; T376-N380 PolarHBondContact O-N 3.04Å; L378-N380 PolarHBondContact O-N 3.32Å; L378-N380 VanDerWaalsContact O-N 3.13Å
381K65.2Low71.1Confident79 Ų7997.1 Ų97.134%0.34352%0.516SS..Hα-helixtrans-71.1-45.1174.2-84.9176.6148.4-78.50110.8R377 L378 N383 H384 E385 A395R377-K381 PolarHBondContact O-N 3.15Å; L378-K381 PolarHBondContact O-N 2.78Å; K381-N383 PolarHBondContact O-N 3.06Å; K381-H384 PolarHBondContact O-N 3.48Å; K381-E385 IonicContact NZ-OE2 3.85Å; K381-E385 PolarHBondContact NZ-OE2 2.93Å; K381-E385 PolarHBondContact O-N 3.09Å; K381-E385 VanDerWaalsContact O-N 3.12Å; K381-A395 HydrophobicContact CD-CB 4.36Å
382D62.1Low70.7Confident98 Ų9895.9 Ų95.952%0.52451%0.511SS..Hα-helixtrans-55.5-27.7176.9-55.8-19.1000112.9L378L378-D382 PolarHBondContact O-N 2.82Å
383N64.8Low70.4Confident130 Ų13095.8 Ų95.870%0.69551%0.506SS*.THydrogen-bonded Turntrans-87.5-19.3179.7-71.3-33000114.6N379 K381N379-N383 PolarHBondContact O-ND2 3.14Å; N379-N383 VanDerWaalsContact O-ND2 3.13Å; K381-N383 PolarHBondContact O-N 3.06Å
384H61.1Low70Confident165 Ų16596.4 Ų96.476%0.76450%0.504SS*.THydrogen-bonded Turntrans-113.8-20.5-170.5-87.6-61.9000114.7K381K381-H384 PolarHBondContact O-N 3.48Å
385E57.9Low69.8Low90 Ų9095.7 Ų95.742%0.42150%0.503SS..  trans-11899-174.6-78.6174.2161.700110.5K381 T387K381-E385 IonicContact NZ-OE2 3.85Å; K381-E385 PolarHBondContact NZ-OE2 2.93Å; K381-E385 PolarHBondContact O-N 3.09Å; K381-E385 VanDerWaalsContact O-N 3.12Å; E385-T387 WeakPolarHBondContact CB-OG1 3.45Å; E385-T387 PolarHBondContact O-N 3.08Å
386S56.2Low69.7Low133 Ų13397.5 Ų97.593%0.9351%0.505SS*.  trans-78.656.1164.359.80000110.4
387T56.2Low69.7Low77 Ų7798.6 Ų98.647%0.47251%0.507SS..  trans-128.2132.5-175.5-2.20000109.2E385E385-T387 WeakPolarHBondContact CB-OG1 3.45Å; E385-T387 PolarHBondContact O-N 3.08Å
388D64.9Low69.8Low121 Ų12196.2 Ų96.265%0.64750%0.502SS*.  trans3.6119.7-179.9-78.1-25.7000118.2N390 D391D388-N390 PolarHBondContact O-N 2.9Å; D388-D391 PolarHBondContact O-N 3.38Å
389D70.5Confident70.1Confident126 Ų12696.3 Ų96.367%0.67450%0.502SS*.Hα-helixtrans-44.4-20.2172.1-76.1-16.2000115.2K393D389-K393 WeakPolarHBondContact O-CD 3.48Å; D389-K393 VanDerWaalsContact O-CG 3.29Å; D389-K393 WeakPolarHBondContact O-CG 3.4Å
390N74.6Confident70.4Confident117 Ų11795.1 Ų95.163%0.62650%0.496SS*.Hα-helixtrans-78-36.1178.1-70.2-29.4000113.1D388 L394D388-N390 PolarHBondContact O-N 2.9Å; N390-L394 WeakPolarHBondContact O-CB 3.36Å; N390-L394 PolarHBondContact O-N 2.95Å
391D75.5Confident70.8Confident96 Ų9693.3 Ų93.351%0.51348%0.483SS..Hα-helixtrans-73.2-37.7-178.6-81.5-22.3000111.5D388 L394 A395D388-D391 PolarHBondContact O-N 3.38Å; D391-L394 PolarHBondContact O-N 3.04Å; D391-A395 WeakPolarHBondContact O-CB 3.48Å; D391-A395 PolarHBondContact O-N 3.03Å
392D72.8Confident71.7Confident40 Ų4093.1 Ų93.121%0.21449%0.489CS..Hα-helixtrans-64.1-46174.8-72.1-22.3000111.7L394 A395 E396D392-L394 VanDerWaalsContact C-N 3.29Å; D392-L394 PolarHBondContact O-N 3.22Å; D392-A395 PolarHBondContact O-N 2.88Å; D392-E396 PolarHBondContact O-N 3.38Å
393K75.8Confident72.8Confident115 Ų11589.2 Ų89.250%0.547%0.468SS..Hα-helixtrans-58.8-41.3173.5-75.1172.6-171.9159.50111.6D389 E396 I397D389-K393 WeakPolarHBondContact O-CD 3.48Å; D389-K393 VanDerWaalsContact O-CG 3.29Å; D389-K393 WeakPolarHBondContact O-CG 3.4Å; K393-E396 PolarHBondContact O-N 3.39Å; K393-I397 WeakPolarHBondContact O-CB 3.43Å; K393-I397 WeakPolarHBondContact O-CD1 3.3Å; K393-I397 WeakPolarHBondContact O-CG1 3.48Å; K393-I397 PolarHBondContact O-N 3.28Å
394L77.5Confident73.8Confident77 Ų7784.4 Ų84.440%0.40344%0.441SS..Hα-helixtrans-67.5-38.8178.3-175.562.3000111.8N390 D391 D392 K398N390-L394 WeakPolarHBondContact O-CB 3.36Å; N390-L394 PolarHBondContact O-N 2.95Å; D391-L394 PolarHBondContact O-N 3.04Å; D392-L394 VanDerWaalsContact C-N 3.29Å; D392-L394 PolarHBondContact O-N 3.22Å; L394-K398 HydrophobicContact CG-CD 4.33Å; L394-K398 WeakPolarHBondContact O-CB 3.47Å; L394-K398 VanDerWaalsContact O-CG 3.27Å; L394-K398 WeakPolarHBondContact O-CG 3.38Å; L394-K398 PolarHBondContact O-N 3.23Å
395A75.8Confident75.1Confident16 Ų1681.6 Ų81.613%0.13243%0.427CS..Hα-helixtrans-64.3-43.4174.700000111.6K381 D391 D392 K398 I399K381-A395 HydrophobicContact CD-CB 4.36Å; D391-A395 WeakPolarHBondContact O-CB 3.48Å; D391-A395 PolarHBondContact O-N 3.03Å; D392-A395 PolarHBondContact O-N 2.88Å; A395-K398 PolarHBondContact O-N 3.46Å; A395-I399 WeakPolarHBondContact O-CG1 3.35Å; A395-I399 PolarHBondContact O-N 2.85Å
396E76.5Confident76.5Confident99 Ų9980.1 Ų80.146%0.46342%0.424SS..Hα-helixtrans-60.1-47.6175.3-165.8-167.6165.300111.8L378 D392 K393 K398 I399 N400L378-E396 HydrophobicContact CD1-CG 4.26Å; L378-E396 HydrophobicContact CD2-CB 4Å; L378-E396 HydrophobicContact CD2-CG 4Å; D392-E396 PolarHBondContact O-N 3.38Å; K393-E396 PolarHBondContact O-N 3.39Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 2.89Å; E396-I399 PolarHBondContact O-N 2.81Å; E396-N400 WeakPolarHBondContact O-CB 3.29Å; E396-N400 PolarHBondContact O-N 3.25Å; E396-N400 PolarHBondContact O-ND2 3.44Å
397I78.2Confident78.2Confident95 Ų9573.9 Ų73.949%0.48738%0.38SS..Hα-helixtrans-60.2-43.8176.9-69.1165000110.9K393 F401K393-I397 WeakPolarHBondContact O-CB 3.43Å; K393-I397 WeakPolarHBondContact O-CD1 3.3Å; K393-I397 WeakPolarHBondContact O-CG1 3.48Å; K393-I397 PolarHBondContact O-N 3.28Å; I397-F401 VanDerWaalsContact O-CB 3.23Å; I397-F401 WeakPolarHBondContact O-CB 3.38Å; I397-F401 PolarHBondContact O-N 2.89Å
398K80.1Confident79.8Confident125 Ų12570.3 Ų70.354%0.54336%0.358SS..Hα-helixtrans-63.6-42.2178.5-77.6171.3-179.61700112.4L394 A395 E396 T402L394-K398 HydrophobicContact CG-CD 4.33Å; L394-K398 WeakPolarHBondContact O-CB 3.47Å; L394-K398 VanDerWaalsContact O-CG 3.27Å; L394-K398 WeakPolarHBondContact O-CG 3.38Å; L394-K398 PolarHBondContact O-N 3.23Å; A395-K398 PolarHBondContact O-N 3.46Å; E396-K398 VanDerWaalsContact C-N 3.34Å; E396-K398 PolarHBondContact O-N 2.89Å; K398-T402 PolarHBondContact O-N 2.97Å; K398-T402 PolarHBondContact O-OG1 3.28Å
399I79.5Confident81.1Confident31 Ų3168.4 Ų68.416%0.15935%0.348CS..Hα-helixtrans-66.9-49178.9-73.3166.2000110.4Q374 L378 A395 E396 F401 T402 L403Q374-I399 HydrophobicContact CB-CG2 3.81Å; Q374-I399 HydrophobicContact CG-CG2 4.19Å; L378-I399 HydrophobicContact CD1-CG2 4.28Å; L378-I399 HydrophobicContact CD2-CB 4.28Å; L378-I399 HydrophobicContact CD2-CD1 3.45Å; L378-I399 VanDerWaalsContact CD2-CD1 3.45Å; L378-I399 HydrophobicContact CD2-CG1 4.42Å; L378-I399 HydrophobicContact CD2-CG2 4.5Å; L378-I399 HydrophobicContact CG-CD1 3.95Å; L378-I399 HydrophobicContact CG-CG2 4.36Å; A395-I399 WeakPolarHBondContact O-CG1 3.35Å; A395-I399 PolarHBondContact O-N 2.85Å; E396-I399 PolarHBondContact O-N 2.81Å; I399-F401 VanDerWaalsContact C-N 3.3Å; I399-F401 PolarHBondContact O-N 2.91Å; I399-T402 WeakPolarHBondContact O-CB 3.43Å; I399-T402 PolarHBondContact O-N 2.79Å; I399-T402 VanDerWaalsContact O-N 3.09Å; I399-L403 PolarHBondContact O-N 2.65Å
400N80.3Confident82.2Confident66 Ų6664.5 Ų64.535%0.35333%0.326SS..Hα-helixtrans-59.9-40.1177.2-77.4-29.4000112E396 L403 Q404E396-N400 WeakPolarHBondContact O-CB 3.29Å; E396-N400 PolarHBondContact O-N 3.25Å; E396-N400 PolarHBondContact O-ND2 3.44Å; N400-L403 PolarHBondContact O-N 2.98Å; N400-Q404 WeakPolarHBondContact O-CB 3.19Å; N400-Q404 VanDerWaalsContact O-CG 3.24Å; N400-Q404 WeakPolarHBondContact O-CG 3.44Å; N400-Q404 PolarHBondContact O-N 3.25Å
401F82.2Confident83.1Confident63 Ų6358.9 Ų58.928%0.27630%0.297SS..Hα-helixtrans-63.8-40.5175.1-175.8-104000112.4I397 I399 Q404 K405 V529I397-F401 VanDerWaalsContact O-CB 3.23Å; I397-F401 WeakPolarHBondContact O-CB 3.38Å; I397-F401 PolarHBondContact O-N 2.89Å; I399-F401 VanDerWaalsContact C-N 3.3Å; I399-F401 PolarHBondContact O-N 2.91Å; F401-Q404 PolarHBondContact O-N 2.95Å; F401-K405 WeakPolarHBondContact O-CB 3.04Å; F401-K405 PolarHBondContact O-N 2.73Å; F401-V529 HydrophobicContact CD2-CG1 3.67Å; F401-V529 HydrophobicContact CE2-CB 3.91Å; F401-V529 HydrophobicContact CE2-CG1 3.39Å
402T83.3Confident84Confident76 Ų7655.8 Ų55.847%0.46628%0.28SS..Hα-helixtrans-65.1-43.8177.3-56.80000111.4K398 I399 Q404 K405 T406K398-T402 PolarHBondContact O-N 2.97Å; K398-T402 PolarHBondContact O-OG1 3.28Å; I399-T402 WeakPolarHBondContact O-CB 3.43Å; I399-T402 PolarHBondContact O-N 2.79Å; I399-T402 VanDerWaalsContact O-N 3.09Å; T402-Q404 VanDerWaalsContact C-N 3.35Å; T402-Q404 PolarHBondContact O-N 3.43Å; T402-K405 PolarHBondContact O-N 3.25Å; T402-T406 PolarHBondContact O-N 3.13Å; T402-T406 PolarHBondContact O-OG1 3.24Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å
403L85.1Confident85.1Confident16 Ų1659.9 Ų59.98%0.08430%0.296CS..Hα-helixtrans-55.6-50.8173.1-169.8102.9000111.4I370 Q371 I399 N400 K405 T406 L407 N463I370-L403 HydrophobicContact CG2-CD1 4.34Å; Q371-L403 HydrophobicContact CB-CD1 4.47Å; Q371-L403 HydrophobicContact CG-CD1 3.66Å; I399-L403 PolarHBondContact O-N 2.65Å; N400-L403 PolarHBondContact O-N 2.98Å; L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 3.46Å; L403-T406 PolarHBondContact O-N 2.87Å; L403-L407 HydrophobicContact CD2-CD1 3.74Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 WeakPolarHBondContact O-CG 3.5Å; L403-L407 PolarHBondContact O-N 2.96Å; L403-N463 VanDerWaalsContact CD2-ND2 3.34Å; L403-N463 WeakPolarHBondContact CD2-ND2 3.49Å
404Q85.4Confident85.9Confident29 Ų2954.4 Ų54.414%0.13627%0.272CS..Hα-helixtrans-62.1-44-177.4-73175.30.800110.9N400 F401 T402 T406 L407 F408 W464 F525N400-Q404 WeakPolarHBondContact O-CB 3.19Å; N400-Q404 VanDerWaalsContact O-CG 3.24Å; N400-Q404 WeakPolarHBondContact O-CG 3.44Å; N400-Q404 PolarHBondContact O-N 3.25Å; F401-Q404 PolarHBondContact O-N 2.95Å; T402-Q404 VanDerWaalsContact C-N 3.35Å; T402-Q404 PolarHBondContact O-N 3.43Å; Q404-T406 VanDerWaalsContact C-N 3.32Å; Q404-T406 PolarHBondContact O-N 3.47Å; Q404-L407 PolarHBondContact O-N 2.9Å; Q404-F408 WeakPolarHBondContact O-CD2 3.35Å; Q404-F408 PolarHBondContact O-N 3.5Å; Q404-W464 VanDerWaalsContact OE1-CZ2 3.28Å; Q404-F525 HydrophobicContact CB-CE1 4.23Å; Q404-F525 HydrophobicContact CB-CZ 4Å
405K88Confident86.8Confident106 Ų10650.8 Ų50.846%0.46125%0.253SS..Hα-helixtrans-58.2-44.1175.4-173.2179.8178.3-1760111.7F401 T402 L403 F408 N409F401-K405 WeakPolarHBondContact O-CB 3.04Å; F401-K405 PolarHBondContact O-N 2.73Å; T402-K405 PolarHBondContact O-N 3.25Å; L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 3.46Å; K405-F408 PolarHBondContact O-N 2.91Å; K405-N409 WeakPolarHBondContact O-CB 3.21Å; K405-N409 VanDerWaalsContact O-CG 3.23Å; K405-N409 PolarHBondContact O-N 3.29Å; K405-N409 PolarHBondContact O-OD1 3.2Å
406T88.9Confident87.8Confident58 Ų5852.3 Ų52.336%0.35626%0.263SS..Hα-helixtrans-63.4-43.5177-58.70000112T402 L403 Q404 N409 L410T402-T406 PolarHBondContact O-N 3.13Å; T402-T406 PolarHBondContact O-OG1 3.24Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å; L403-T406 PolarHBondContact O-N 2.87Å; Q404-T406 VanDerWaalsContact C-N 3.32Å; Q404-T406 PolarHBondContact O-N 3.47Å; T406-N409 PolarHBondContact O-N 3.34Å; T406-L410 WeakPolarHBondContact O-CB 3.36Å; T406-L410 PolarHBondContact O-N 3.45Å
407L90.3Very high88.7Confident3 Ų349.8 Ų49.82%0.01625%0.252CS..Hα-helixtrans-62.9-43.5177.4-72.1171.3000112.4L367 L403 Q404 L410 L411 L456 T459 L460L367-L407 HydrophobicContact CD1-CD2 4.34Å; L367-L407 HydrophobicContact CD2-CD2 3.62Å; L403-L407 HydrophobicContact CD2-CD1 3.74Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 WeakPolarHBondContact O-CG 3.5Å; L403-L407 PolarHBondContact O-N 2.96Å; Q404-L407 PolarHBondContact O-N 2.9Å; L407-L410 PolarHBondContact O-N 3.46Å; L407-L411 WeakPolarHBondContact O-CB 3.22Å; L407-L411 PolarHBondContact O-N 3.22Å; L407-L456 HydrophobicContact CD2-CD2 3.97Å; L407-T459 HydrophobicContact CD1-CG2 3.84Å; L407-T459 HydrophobicContact CD2-CG2 4.28Å; L407-L460 HydrophobicContact CB-CD2 3.73Å; L407-L460 HydrophobicContact CB-CG 4.34Å; L407-L460 HydrophobicContact CD1-CD2 4.01Å
408F91Very high89.5Confident2 Ų245.2 Ų45.21%0.00923%0.229CC..Hα-helixtrans-68.1-40.2177.2-90-84.6000112.4I311 Q404 K405 L410 L411 I412 L460 A522 F525I311-F408 HydrophobicContact CD1-CZ 4.08Å; I311-F408 HydrophobicContact CG1-CZ 3.93Å; Q404-F408 WeakPolarHBondContact O-CD2 3.35Å; Q404-F408 PolarHBondContact O-N 3.5Å; K405-F408 PolarHBondContact O-N 2.91Å; F408-L410 VanDerWaalsContact C-N 3.32Å; F408-L410 PolarHBondContact O-N 2.72Å; F408-L411 WeakPolarHBondContact O-CB 3.2Å; F408-L411 PolarHBondContact O-N 3.14Å; F408-I412 VanDerWaalsContact O-CG1 3.29Å; F408-I412 WeakPolarHBondContact O-CG1 3.48Å; F408-I412 PolarHBondContact O-N 2.9Å; F408-L460 HydrophobicContact CD2-CD1 4.34Å; F408-L460 HydrophobicContact CD2-CD2 3.68Å; F408-L460 HydrophobicContact CE1-CD1 4.29Å; F408-L460 HydrophobicContact CE2-CD1 4.1Å; F408-L460 HydrophobicContact CE2-CD2 3.45Å; F408-L460 VanDerWaalsContact CE2-CD2 3.45Å; F408-L460 HydrophobicContact CE2-CG 4.36Å; F408-L460 HydrophobicContact CZ-CD1 4.07Å; F408-L460 HydrophobicContact CZ-CD2 4.19Å; F408-A522 HydrophobicContact CD1-CB 4.45Å; F408-F525 HydrophobicContact CB-CD1 4.06Å; F408-F525 HydrophobicContact CD1-CB 3.74Å; F408-F525 AromaticContact CD1-CD1 4Å; F408-F525 HydrophobicContact CD1-CD1 4Å; F408-F525 HydrophobicContact CD1-CD2 4.42Å; F408-F525 AromaticContact CD1-CG 3.8Å; F408-F525 HydrophobicContact CD1-CG 3.8Å; F408-F525 HydrophobicContact CD2-CB 4.47Å; F408-F525 AromaticContact CD2-CD1 3.29Å; F408-F525 HydrophobicContact CD2-CD1 3.29Å; F408-F525 AromaticContact CD2-CD2 3.94Å; F408-F525 HydrophobicContact CD2-CD2 3.94Å; F408-F525 AromaticContact CD2-CE1 3.28Å; F408-F525 HydrophobicContact CD2-CE1 3.28Å; F408-F525 AromaticContact CD2-CE2 3.9Å; F408-F525 HydrophobicContact CD2-CE2 3.9Å; F408-F525 AromaticContact CD2-CG 3.63Å; F408-F525 HydrophobicContact CD2-CG 3.63Å; F408-F525 AromaticContact CD2-CZ 3.58Å; F408-F525 HydrophobicContact CD2-CZ 3.58Å; F408-F525 HydrophobicContact CE1-CB 3.64Å; F408-F525 HydrophobicContact CE1-CD1 4.26Å; F408-F525 AromaticContact CE1-CD2 3.87Å; F408-F525 HydrophobicContact CE1-CD2 3.87Å; F408-F525 AromaticContact CE1-CG 3.66Å; F408-F525 HydrophobicContact CE1-CG 3.66Å; F408-F525 HydrophobicContact CE2-CB 4.37Å; F408-F525 AromaticContact CE2-CD1 3.6Å; F408-F525 HydrophobicContact CE2-CD1 3.6Å; F408-F525 AromaticContact CE2-CD2 3.29Å; F408-F525 HydrophobicContact CE2-CD2 3.29Å; F408-F525 AromaticContact CE2-CE1 3.55Å; F408-F525 HydrophobicContact CE2-CE1 3.55Å; F408-F525 AromaticContact CE2-CE2 3.21Å; F408-F525 HydrophobicContact CE2-CE2 3.21Å; F408-F525 AromaticContact CE2-CG 3.48Å; F408-F525 HydrophobicContact CE2-CG 3.48Å; F408-F525 VanDerWaalsContact CE2-CG 3.48Å; F408-F525 AromaticContact CE2-CZ 3.34Å; F408-F525 HydrophobicContact CE2-CZ 3.34Å; F408-F525 HydrophobicContact CG-CB 4.17Å; F408-F525 AromaticContact CG-CD1 3.51Å; F408-F525 HydrophobicContact CG-CD1 3.51Å; F408-F525 HydrophobicContact CG-CD2 4.45Å; F408-F525 AromaticContact CG-CE1 3.97Å; F408-F525 HydrophobicContact CG-CE1 3.97Å; F408-F525 AromaticContact CG-CG 3.79Å; F408-F525 HydrophobicContact CG-CG 3.79Å; F408-F525 HydrophobicContact CZ-CB 3.97Å; F408-F525 HydrophobicContact CZ-CD1 4.08Å; F408-F525 AromaticContact CZ-CD2 3.25Å; F408-F525 HydrophobicContact CZ-CD2 3.25Å; F408-F525 HydrophobicContact CZ-CE1 4.42Å; F408-F525 AromaticContact CZ-CE2 3.63Å; F408-F525 HydrophobicContact CZ-CE2 3.63Å; F408-F525 AromaticContact CZ-CG 3.49Å; F408-F525 HydrophobicContact CZ-CG 3.49Å; F408-F525 VanDerWaalsContact CZ-CG 3.49Å; F408-F525 HydrophobicContact CZ-CZ 4.2Å
409N92Very high90.2Very high81 Ų8140.7 Ų40.743%0.43321%0.21SC..Hα-helixtrans-62.2-41.2175.2-75.4-3.6000111.6K405 T406 I412 F413K405-N409 WeakPolarHBondContact O-CB 3.21Å; K405-N409 VanDerWaalsContact O-CG 3.23Å; K405-N409 PolarHBondContact O-N 3.29Å; K405-N409 PolarHBondContact O-OD1 3.2Å; T406-N409 PolarHBondContact O-N 3.34Å; N409-I412 PolarHBondContact O-N 2.71Å; N409-F413 WeakPolarHBondContact O-CB 3.47Å; N409-F413 PolarHBondContact O-N 3.31Å
410L93Very high91.1Very high43 Ų4343 Ų4323%0.22522%0.223CC..Hα-helixtrans-67.4-37.5176.2-175.559.6000111.9I363 L367 T406 L407 F408 F413 A414 L456I363-L410 HydrophobicContact CG2-CD2 3.9Å; L367-L410 HydrophobicContact CD1-CD2 4.26Å; L367-L410 HydrophobicContact CD2-CD2 3.89Å; L367-L410 HydrophobicContact CG-CD2 4.31Å; T406-L410 WeakPolarHBondContact O-CB 3.36Å; T406-L410 PolarHBondContact O-N 3.45Å; L407-L410 PolarHBondContact O-N 3.46Å; F408-L410 VanDerWaalsContact C-N 3.32Å; F408-L410 PolarHBondContact O-N 2.72Å; L410-F413 HydrophobicContact CD1-CD1 4.47Å; L410-F413 PolarHBondContact O-N 3.4Å; L410-A414 WeakPolarHBondContact O-CB 3.48Å; L410-A414 PolarHBondContact O-N 2.87Å; L410-L456 HydrophobicContact CB-CD2 4.45Å; L410-L456 HydrophobicContact CD2-CD1 4.4Å; L410-L456 HydrophobicContact CD2-CD2 3.73Å; L410-L456 HydrophobicContact CG-CD1 4.01Å; L410-L456 HydrophobicContact CG-CD2 4.12Å
411L93.7Very high91.8Very high0 Ų040.1 Ų40.10%021%0.207CC..Hα-helixtrans-62.5-47.5172.3179.365.9000111.4I314 L407 F408 F413 A414 L415 L456 L457 L460I314-L411 HydrophobicContact CG2-CD2 4.43Å; L407-L411 WeakPolarHBondContact O-CB 3.22Å; L407-L411 PolarHBondContact O-N 3.22Å; F408-L411 WeakPolarHBondContact O-CB 3.2Å; F408-L411 PolarHBondContact O-N 3.14Å; L411-F413 VanDerWaalsContact C-N 3.29Å; L411-F413 PolarHBondContact O-N 3.45Å; L411-A414 PolarHBondContact O-N 3.2Å; L411-L415 HydrophobicContact CD1-CD1 4.17Å; L411-L415 HydrophobicContact CD1-CG 4.14Å; L411-L415 HydrophobicContact CG-CD1 3.97Å; L411-L415 HydrophobicContact CG-CG 4.33Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 VanDerWaalsContact O-CG 3.25Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 3.36Å; L411-L456 HydrophobicContact CB-CD1 4.34Å; L411-L456 HydrophobicContact CD1-CB 4.46Å; L411-L456 HydrophobicContact CD1-CD1 4.44Å; L411-L457 HydrophobicContact CD1-CD2 4.16Å; L411-L457 HydrophobicContact CD1-CG 4.1Å; L411-L457 HydrophobicContact CD2-CD2 3.87Å; L411-L460 HydrophobicContact CD2-CD1 3.84Å
412I94.9Very high92.4Very high31 Ų3137.3 Ų37.316%0.15920%0.195CC..Hα-helixtrans-59.3-42.9177.1-69.2161.8000110.5F408 N409 L415 S416 I519 A522 I523F408-I412 VanDerWaalsContact O-CG1 3.29Å; F408-I412 WeakPolarHBondContact O-CG1 3.48Å; F408-I412 PolarHBondContact O-N 2.9Å; N409-I412 PolarHBondContact O-N 2.71Å; I412-L415 PolarHBondContact O-N 3.43Å; I412-S416 VanDerWaalsContact O-CB 3.31Å; I412-S416 WeakPolarHBondContact O-CB 3.29Å; I412-S416 PolarHBondContact O-N 3.08Å; I412-S416 PolarHBondContact O-OG 2.61Å; I412-I519 HydrophobicContact CG2-CG2 4.47Å; I412-A522 HydrophobicContact CD1-CB 4.3Å; I412-A522 HydrophobicContact CG1-CB 3.67Å; I412-I523 HydrophobicContact CD1-CG1 3.81Å; I412-I523 HydrophobicContact CG1-CG1 4.29Å
413F94.8Very high93Very high126 Ų12637 Ų3755%0.55319%0.189SC*.Hα-helixtrans-60.8-49.1176178-104.6000111.9N409 L410 L411 L415 S416 L417N409-F413 WeakPolarHBondContact O-CB 3.47Å; N409-F413 PolarHBondContact O-N 3.31Å; L410-F413 HydrophobicContact CD1-CD1 4.47Å; L410-F413 PolarHBondContact O-N 3.4Å; L411-F413 VanDerWaalsContact C-N 3.29Å; L411-F413 PolarHBondContact O-N 3.45Å; F413-L415 PolarHBondContact O-N 3.05Å; F413-S416 PolarHBondContact O-N 3.25Å; F413-L417 HydrophobicContact CD1-CD1 4.18Å; F413-L417 HydrophobicContact CE1-CD1 3.59Å; F413-L417 HydrophobicContact CE1-CG 4.45Å; F413-L417 HydrophobicContact CE2-CD1 4.43Å; F413-L417 HydrophobicContact CZ-CD1 3.74Å; F413-L417 HydrophobicContact CZ-CG 4.32Å; F413-L417 PolarHBondContact O-N 3.38Å
414A94.3Very high93.5Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-62.2-42178.100000112.4L410 L411 S416 L417 M418 A449 N453L410-A414 WeakPolarHBondContact O-CB 3.48Å; L410-A414 PolarHBondContact O-N 2.87Å; L411-A414 PolarHBondContact O-N 3.2Å; A414-S416 VanDerWaalsContact C-N 3.34Å; A414-L417 PolarHBondContact O-N 2.92Å; A414-M418 WeakPolarHBondContact O-CG 3.46Å; A414-M418 PolarHBondContact O-N 3.19Å; A414-A449 HydrophobicContact CB-CB 4.39Å; A414-N453 WeakPolarHBondContact CB-OD1 3.49Å
415L95.4Very high94Very high0 Ų036.9 Ų36.90%019%0.19CC..Hα-helixtrans-66-36.3175.6-67.8177.2000112.3I314 V318 L411 I412 F413 M418 L419 L515 A518 I519I314-L415 HydrophobicContact CG2-CD1 4.39Å; V318-L415 HydrophobicContact CG2-CD2 3.5Å; L411-L415 HydrophobicContact CD1-CD1 4.17Å; L411-L415 HydrophobicContact CD1-CG 4.14Å; L411-L415 HydrophobicContact CG-CD1 3.97Å; L411-L415 HydrophobicContact CG-CG 4.33Å; L411-L415 WeakPolarHBondContact O-CB 3.32Å; L411-L415 VanDerWaalsContact O-CG 3.25Å; L411-L415 WeakPolarHBondContact O-CG 3.41Å; L411-L415 PolarHBondContact O-N 3.36Å; I412-L415 PolarHBondContact O-N 3.43Å; F413-L415 PolarHBondContact O-N 3.05Å; L415-M418 PolarHBondContact O-N 2.76Å; L415-L419 WeakPolarHBondContact O-CB 3.42Å; L415-L419 PolarHBondContact O-N 2.82Å; L415-L515 HydrophobicContact CD2-CD2 4.04Å; L415-A518 HydrophobicContact CD1-CB 4.24Å; L415-I519 HydrophobicContact CB-CD1 4.11Å; L415-I519 HydrophobicContact CB-CG1 3.58Å; L415-I519 HydrophobicContact CD1-CG1 4.23Å
416S96.3Very high94.3Very high49 Ų4932.4 Ų32.434%0.34317%0.171SC..Hα-helixtrans-67.3-38.1177.7-59.10000111.8I412 F413 A414 L419 L420I412-S416 VanDerWaalsContact O-CB 3.31Å; I412-S416 WeakPolarHBondContact O-CB 3.29Å; I412-S416 PolarHBondContact O-N 3.08Å; I412-S416 PolarHBondContact O-OG 2.61Å; F413-S416 PolarHBondContact O-N 3.25Å; A414-S416 VanDerWaalsContact C-N 3.34Å; S416-L419 PolarHBondContact O-N 2.72Å; S416-L420 WeakPolarHBondContact O-CB 3.29Å; S416-L420 PolarHBondContact O-N 3.25Å
417L96Very high94.6Very high45 Ų4533 Ų3324%0.23617%0.171CC..Hα-helixtrans-63.7-45.7171-68.2176.6000110.7F413 A414 L419 L420 N421 P446 A449F413-L417 HydrophobicContact CD1-CD1 4.18Å; F413-L417 HydrophobicContact CE1-CD1 3.59Å; F413-L417 HydrophobicContact CE1-CG 4.45Å; F413-L417 HydrophobicContact CE2-CD1 4.43Å; F413-L417 HydrophobicContact CZ-CD1 3.74Å; F413-L417 HydrophobicContact CZ-CG 4.32Å; F413-L417 PolarHBondContact O-N 3.38Å; A414-L417 PolarHBondContact O-N 2.92Å; L417-L419 VanDerWaalsContact C-N 3.3Å; L417-L419 PolarHBondContact O-N 3.35Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 2.82Å; L417-L420 VanDerWaalsContact O-N 3.14Å; L417-N421 PolarHBondContact O-N 2.78Å; L417-P446 HydrophobicContact CB-CB 3.92Å; L417-P446 HydrophobicContact CD2-CB 3.96Å; L417-P446 WeakPolarHBondContact O-CB 3.47Å; L417-A449 HydrophobicContact CB-CB 3.84Å; L417-A449 HydrophobicContact CD1-CB 3.73Å; L417-A449 HydrophobicContact CG-CB 4.44Å
418M94.6Very high94.9Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-61.8-38.2175.7-70.5-56-61.500112.7A322 A414 L415 N421 R422 K450 L515A322-M418 HydrophobicContact CB-CE 3.83Å; A322-M418 HydrophobicContact CB-CG 4.42Å; A414-M418 WeakPolarHBondContact O-CG 3.46Å; A414-M418 PolarHBondContact O-N 3.19Å; L415-M418 PolarHBondContact O-N 2.76Å; M418-N421 WeakPolarHBondContact O-CB 3.4Å; M418-N421 PolarHBondContact O-N 3.36Å; M418-R422 WeakPolarHBondContact O-CG 3.48Å; M418-R422 PolarHBondContact O-N 2.71Å; M418-K450 HydrophobicContact CE-CB 4.14Å; M418-K450 HydrophobicContact CE-CG 4.44Å; M418-K450 HydrophobicContact SD-CB 3.78Å; M418-L515 HydrophobicContact CB-CD1 3.92Å; M418-L515 HydrophobicContact CB-CD2 4.45Å
419L96.1Very high94.9Very high29 Ų2935.6 Ų35.615%0.15218%0.181CC..Hα-helixtrans-60.7-46.2173.617866.7000110.6L415 S416 L417 N421 R422 I423 A512 L515 F516 I519L415-L419 WeakPolarHBondContact O-CB 3.42Å; L415-L419 PolarHBondContact O-N 2.82Å; S416-L419 PolarHBondContact O-N 2.72Å; L417-L419 VanDerWaalsContact C-N 3.3Å; L417-L419 PolarHBondContact O-N 3.35Å; L419-N421 PolarHBondContact O-N 3.4Å; L419-R422 PolarHBondContact O-N 3.07Å; L419-I423 HydrophobicContact CD1-CD1 4.08Å; L419-I423 HydrophobicContact CD1-CG1 4.36Å; L419-I423 HydrophobicContact CD2-CD1 4.43Å; L419-I423 HydrophobicContact CG-CD1 3.84Å; L419-I423 HydrophobicContact CG-CG1 4.48Å; L419-I423 WeakPolarHBondContact O-CG1 3.31Å; L419-I423 PolarHBondContact O-N 3.13Å; L419-A512 HydrophobicContact CD1-CB 3.8Å; L419-A512 WeakPolarHBondContact CD1-O 3.34Å; L419-L515 HydrophobicContact CB-CB 4.4Å; L419-L515 HydrophobicContact CD1-CB 4.15Å; L419-F516 HydrophobicContact CD1-CB 4.49Å; L419-F516 HydrophobicContact CD2-CD2 4.44Å; L419-I519 HydrophobicContact CB-CD1 4.06Å; L419-I519 HydrophobicContact CD2-CD1 3.78Å; L419-I519 HydrophobicContact CG-CD1 4.49Å
420L96.5Very high94.9Very high81 Ų8137 Ų3742%0.42419%0.188SC..Hα-helixtrans-59.9-43.8176.4-179.362.4000111.7S416 L417 R422 I423 L424 P446S416-L420 WeakPolarHBondContact O-CB 3.29Å; S416-L420 PolarHBondContact O-N 3.25Å; L417-L420 WeakPolarHBondContact O-CB 3.49Å; L417-L420 PolarHBondContact O-N 2.82Å; L417-L420 VanDerWaalsContact O-N 3.14Å; L420-R422 VanDerWaalsContact C-N 3.35Å; L420-R422 PolarHBondContact O-N 3.21Å; L420-I423 PolarHBondContact O-N 2.82Å; L420-L424 HydrophobicContact CD1-CD1 4.16Å; L420-L424 HydrophobicContact CD1-CG 4.19Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.45Å; L420-L424 WeakPolarHBondContact O-CB 3.49Å; L420-L424 VanDerWaalsContact O-CG 3.26Å; L420-L424 WeakPolarHBondContact O-CG 3.14Å; L420-L424 PolarHBondContact O-N 3.32Å; L420-P446 HydrophobicContact CB-CB 4.46Å; L420-P446 HydrophobicContact CD2-CB 4.28Å; L420-P446 HydrophobicContact CD2-CG 4.26Å; L420-P446 HydrophobicContact CG-CG 4.29Å
421N95.1Very high94.9Very high4 Ų439.4 Ų39.42%0.02120%0.197CC..Hα-helixtrans-55.5-49.9173.4169-98.9000111.2L417 M418 L419 I423 L424 M425 G443 P446 K447L417-N421 PolarHBondContact O-N 2.78Å; M418-N421 WeakPolarHBondContact O-CB 3.4Å; M418-N421 PolarHBondContact O-N 3.36Å; L419-N421 PolarHBondContact O-N 3.4Å; N421-I423 PolarHBondContact O-N 3.48Å; N421-L424 PolarHBondContact O-N 3.25Å; N421-M425 VanDerWaalsContact O-CG 3.28Å; N421-M425 WeakPolarHBondContact O-CG 3.35Å; N421-M425 PolarHBondContact O-N 2.89Å; N421-G443 PolarHBondContact ND2-O 3.42Å; N421-P446 HydrophobicContact CB-CG 4.2Å; N421-K447 HydrophobicContact CB-CB 4.45Å
422R95Very high94.7Very high5 Ų543.1 Ų43.12%0.01922%0.223CC..Hα-helixtrans-65.3-39.8-178.1-66.1-55.1-173.9-147.65.6112.4S321 M418 L419 L420 M425 T426 C511 A512 L515S321-R422 PolarHBondContact O-NE 2.62Å; S321-R422 PolarHBondContact O-NH2 2.94Å; M418-R422 WeakPolarHBondContact O-CG 3.48Å; M418-R422 PolarHBondContact O-N 2.71Å; L419-R422 PolarHBondContact O-N 3.07Å; L420-R422 VanDerWaalsContact C-N 3.35Å; L420-R422 PolarHBondContact O-N 3.21Å; R422-M425 PolarHBondContact O-N 3.28Å; R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.03Å; R422-C511 HydrophobicContact CG-CB 4.07Å; R422-A512 HydrophobicContact CB-CB 3.96Å; R422-L515 HydrophobicContact CG-CD1 3.84Å
423I96.2Very high94.4Very high69 Ų6944.1 Ų44.135%0.35423%0.233SC..Hα-helixtrans-63-45.7175.1-67.9169.5000111.2L419 L420 N421 M425 T426 I427 A512L419-I423 HydrophobicContact CD1-CD1 4.08Å; L419-I423 HydrophobicContact CD1-CG1 4.36Å; L419-I423 HydrophobicContact CD2-CD1 4.43Å; L419-I423 HydrophobicContact CG-CD1 3.84Å; L419-I423 HydrophobicContact CG-CG1 4.48Å; L419-I423 WeakPolarHBondContact O-CG1 3.31Å; L419-I423 PolarHBondContact O-N 3.13Å; L420-I423 PolarHBondContact O-N 2.82Å; N421-I423 PolarHBondContact O-N 3.48Å; I423-M425 VanDerWaalsContact C-N 3.31Å; I423-M425 PolarHBondContact O-N 2.82Å; I423-T426 WeakPolarHBondContact O-CB 3.34Å; I423-T426 PolarHBondContact O-N 3.31Å; I423-T426 VanDerWaalsContact O-N 3.11Å; I423-I427 HydrophobicContact CG2-CD1 3.82Å; I423-I427 WeakPolarHBondContact O-CG1 3.47Å; I423-I427 PolarHBondContact O-N 2.79Å; I423-I427 VanDerWaalsContact O-N 3.12Å; I423-A512 HydrophobicContact CG1-CB 4.27Å
424L96.3Very high94.3Very high35 Ų3545 Ų4518%0.18324%0.237CC..Hα-helixtrans-60.6-43.2177.5-70.2169.9000111L420 N421 T426 I427 A428 I439 I442 P446L420-L424 HydrophobicContact CD1-CD1 4.16Å; L420-L424 HydrophobicContact CD1-CG 4.19Å; L420-L424 HydrophobicContact CG-CD1 3.99Å; L420-L424 HydrophobicContact CG-CG 4.45Å; L420-L424 WeakPolarHBondContact O-CB 3.49Å; L420-L424 VanDerWaalsContact O-CG 3.26Å; L420-L424 WeakPolarHBondContact O-CG 3.14Å; L420-L424 PolarHBondContact O-N 3.32Å; N421-L424 PolarHBondContact O-N 3.25Å; L424-T426 VanDerWaalsContact C-N 3.32Å; L424-T426 PolarHBondContact O-N 3.34Å; L424-I427 PolarHBondContact O-N 3.48Å; L424-A428 VanDerWaalsContact O-CB 3.3Å; L424-A428 WeakPolarHBondContact O-CB 3.33Å; L424-A428 PolarHBondContact O-N 3.45Å; L424-I439 HydrophobicContact CB-CG2 4.04Å; L424-I439 HydrophobicContact CD2-CG2 4.07Å; L424-I439 WeakPolarHBondContact O-CG2 3.26Å; L424-I442 HydrophobicContact CD1-CG2 4.19Å; L424-P446 HydrophobicContact CD1-CG 4.48Å
425M94.7Very high94.3Very high8 Ų847.6 Ų47.64%0.03925%0.252CS..Hα-helixtrans-64.4-33.4174.4-68.3-58.3-61.300113V329 Y332 L333 N421 R422 I423 V440 F508V329-M425 HydrophobicContact CG1-CE 4.48Å; Y332-M425 HydrophobicContact CD1-CE 3.71Å; Y332-M425 HydrophobicContact CE1-CE 3.53Å; Y332-M425 PolarHBondContact OH-O 2.93Å; L333-M425 HydrophobicContact CD2-CE 4.03Å; L333-M425 HydrophobicContact CG-CE 4.41Å; N421-M425 VanDerWaalsContact O-CG 3.28Å; N421-M425 WeakPolarHBondContact O-CG 3.35Å; N421-M425 PolarHBondContact O-N 2.89Å; R422-M425 PolarHBondContact O-N 3.28Å; I423-M425 VanDerWaalsContact C-N 3.31Å; I423-M425 PolarHBondContact O-N 2.82Å; M425-V440 HydrophobicContact SD-CG1 4.31Å; M425-V440 HydrophobicContact SD-CG2 4.13Å; M425-F508 HydrophobicContact CB-CB 4.21Å; M425-F508 HydrophobicContact CB-CD1 3.66Å; M425-F508 HydrophobicContact CB-CD2 4.04Å; M425-F508 HydrophobicContact CB-CE1 3.92Å; M425-F508 HydrophobicContact CB-CE2 4.3Å; M425-F508 HydrophobicContact CB-CG 3.71Å; M425-F508 HydrophobicContact CB-CZ 4.23Å; M425-F508 HydrophobicContact CE-CE1 4.09Å; M425-F508 HydrophobicContact CE-CE2 4.28Å; M425-F508 HydrophobicContact CE-CZ 3.74Å; M425-F508 HydrophobicContact CG-CD1 4.37Å; M425-F508 HydrophobicContact CG-CE1 4.3Å
426T95Very high94.2Very high11 Ų1147.6 Ų47.67%0.06725%0.252CS..Hα-helixtrans-64.2-42.1174.7-64.20000112.3R422 I423 L424 Y429 F503 G505 F508 L509R422-T426 PolarHBondContact O-N 2.92Å; R422-T426 PolarHBondContact O-OG1 3.03Å; I423-T426 WeakPolarHBondContact O-CB 3.34Å; I423-T426 PolarHBondContact O-N 3.31Å; I423-T426 VanDerWaalsContact O-N 3.11Å; L424-T426 VanDerWaalsContact C-N 3.32Å; L424-T426 PolarHBondContact O-N 3.34Å; T426-Y429 WeakPolarHBondContact O-CD1 3.21Å; T426-Y429 WeakPolarHBondContact O-CE1 3.15Å; T426-F503 HydrophobicContact CG2-CE2 3.93Å; T426-F503 HydrophobicContact CG2-CZ 3.55Å; T426-G505 PolarHBondContact OG1-O 3.46Å; T426-F508 VanDerWaalsContact OG1-CB 3.23Å; T426-F508 WeakPolarHBondContact OG1-CB 3.23Å; T426-L509 HydrophobicContact CG2-CB 4.01Å; T426-L509 HydrophobicContact CG2-CD1 4.43Å; T426-L509 PolarHBondContact OG1-N 3.31Å; T426-L509 VanDerWaalsContact OG1-N 3.12Å
427I95.8Very high94.2Very high70 Ų7046.2 Ų46.236%0.35924%0.241SC..Hα-helixtrans-89-23.4-171.7-53.9170.9000111.2I423 L424 Y429 L430 F431I423-I427 HydrophobicContact CG2-CD1 3.82Å; I423-I427 WeakPolarHBondContact O-CG1 3.47Å; I423-I427 PolarHBondContact O-N 2.79Å; I423-I427 VanDerWaalsContact O-N 3.12Å; L424-I427 PolarHBondContact O-N 3.48Å; I427-Y429 PolarHBondContact O-N 3.35Å; I427-L430 HydrophobicContact CG2-CD1 3.89Å; I427-L430 WeakPolarHBondContact O-CB 3.19Å; I427-L430 PolarHBondContact O-N 2.95Å; I427-F431 HydrophobicContact CG2-CD2 4.45Å; I427-F431 HydrophobicContact CG2-CE2 3.55Å; I427-F431 HydrophobicContact CG2-CZ 4.23Å
428A95.4Very high94.2Very high0 Ų048.4 Ų48.40%025%0.251CS..G310 helixtrans-52.4-35.5-17200000114.8F338 L424 L430 A436 I439 V440F338-A428 HydrophobicContact CE1-CB 3.75Å; F338-A428 HydrophobicContact CZ-CB 3.6Å; L424-A428 VanDerWaalsContact O-CB 3.3Å; L424-A428 WeakPolarHBondContact O-CB 3.33Å; L424-A428 PolarHBondContact O-N 3.45Å; A428-L430 PolarHBondContact O-N 2.85Å; A428-A436 WeakPolarHBondContact O-CB 3.24Å; A428-I439 HydrophobicContact CB-CB 4.24Å; A428-I439 HydrophobicContact CB-CG2 3.77Å; A428-V440 HydrophobicContact CB-CG2 4.11Å
429Y92.1Very high94.3Very high60 Ų6049.5 Ų49.524%0.23526%0.257CS..G310 helixtrans-69-17.2-179.683.4-76000114.6Y332 T426 I427 F431 F503 P504Y332-Y429 WeakPolarHBondContact OH-CB 3.38Å; Y332-Y429 PolarHBondContact OH-N 2.97Å; T426-Y429 WeakPolarHBondContact O-CD1 3.21Å; T426-Y429 WeakPolarHBondContact O-CE1 3.15Å; I427-Y429 PolarHBondContact O-N 3.35Å; Y429-F431 VanDerWaalsContact C-N 3.26Å; Y429-F431 PolarHBondContact O-N 3.07Å; Y429-F503 AromaticContact CE1-CD2 3.75Å; Y429-F503 HydrophobicContact CE1-CD2 3.75Å; Y429-F503 AromaticContact CE1-CE2 3.59Å; Y429-F503 HydrophobicContact CE1-CE2 3.59Å; Y429-F503 AromaticContact CZ-CD2 3.68Å; Y429-F503 AromaticContact CZ-CE2 3.95Å; Y429-F503 WeakPolarHBondContact OH-CD2 3.44Å; Y429-P504 HydrophobicContact CD2-CG 4.12Å; Y429-P504 HydrophobicContact CE2-CG 4.38Å
430L92.7Very high94.2Very high111 Ų11148.1 Ų48.158%0.58125%0.25SC*.G310 helixtrans-74.7-17-176.8-68.6170.2000113.1I427 A428I427-L430 HydrophobicContact CG2-CD1 3.89Å; I427-L430 WeakPolarHBondContact O-CB 3.19Å; I427-L430 PolarHBondContact O-N 2.95Å; A428-L430 PolarHBondContact O-N 2.85Å
431F92.5Very high94.2Very high94 Ų9449.3 Ų49.341%0.41225%0.249SC..SBendtrans-99.9166.7-173-63.3-83.6000112.5I427 Y429 T435 A436 I439I427-F431 HydrophobicContact CG2-CD2 4.45Å; I427-F431 HydrophobicContact CG2-CE2 3.55Å; I427-F431 HydrophobicContact CG2-CZ 4.23Å; Y429-F431 VanDerWaalsContact C-N 3.26Å; Y429-F431 PolarHBondContact O-N 3.07Å; F431-T435 HydrophobicContact CB-CG2 3.9Å; F431-T435 HydrophobicContact CD1-CG2 3.92Å; F431-T435 HydrophobicContact CG-CG2 3.93Å; F431-A436 HydrophobicContact CB-CB 4.42Å; F431-I439 HydrophobicContact CB-CD1 4.45Å; F431-I439 HydrophobicContact CD2-CD1 3.14Å; F431-I439 HydrophobicContact CE2-CD1 3.3Å; F431-I439 HydrophobicContact CG-CD1 3.86Å; F431-I439 HydrophobicContact CZ-CD1 4.17Å
432S90.1Very high94.3Very high78 Ų7854.2 Ų54.255%0.54528%0.275SS..  trans-59.6158.4170.967.40000111.5F434 T435 A436S432-F434 VanDerWaalsContact C-N 3.3Å; S432-F434 PolarHBondContact O-N 2.95Å; S432-F434 VanDerWaalsContact O-N 3.15Å; S432-T435 PolarHBondContact O-N 3.31Å; S432-T435 VanDerWaalsContact O-N 3.14Å; S432-A436 VanDerWaalsContact O-CB 3.24Å; S432-A436 WeakPolarHBondContact O-CB 3.3Å; S432-A436 PolarHBondContact O-N 2.89Å
433S87.8Confident94.3Very high52 Ų5254 Ų5436%0.36427%0.274SS..Hα-helixtrans-51.1-44.5-173.3-173.50000114.1P337 N437P337-S433 WeakPolarHBondContact O-CA 3.48Å; P337-S433 WeakPolarHBondContact O-CB 3.34Å; P337-S433 PolarHBondContact O-OG 3.39Å; S433-N437 WeakPolarHBondContact O-CB 3.5Å; S433-N437 PolarHBondContact O-N 3.47Å; S433-N437 PolarHBondContact O-ND2 3.27Å
434F92.2Very high94.2Very high144 Ų14452.1 Ų52.163%0.63226%0.264SS*.Hα-helixtrans-64.1-51.1179.4179.6-100.2000112.3S432 N437 M438S432-F434 VanDerWaalsContact C-N 3.3Å; S432-F434 PolarHBondContact O-N 2.95Å; S432-F434 VanDerWaalsContact O-N 3.15Å; F434-N437 WeakPolarHBondContact O-CB 3.19Å; F434-N437 PolarHBondContact O-N 3.06Å; F434-M438 HydrophobicContact CE1-CE 4.18Å; F434-M438 HydrophobicContact CE1-CG 4.17Å; F434-M438 HydrophobicContact CE2-CE 4.14Å; F434-M438 HydrophobicContact CZ-CE 3.56Å; F434-M438 HydrophobicContact CZ-CG 4.28Å; F434-M438 WeakPolarHBondContact O-CG 3.37Å; F434-M438 PolarHBondContact O-N 2.9Å
435T94.6Very high94.1Very high54 Ų5455.2 Ų55.233%0.33128%0.284SS..Hα-helixtrans-66.8-39.5-178.9-56.10000111.6F431 S432 N437 M438 I439F431-T435 HydrophobicContact CB-CG2 3.9Å; F431-T435 HydrophobicContact CD1-CG2 3.92Å; F431-T435 HydrophobicContact CG-CG2 3.93Å; S432-T435 PolarHBondContact O-N 3.31Å; S432-T435 VanDerWaalsContact O-N 3.14Å; T435-N437 VanDerWaalsContact C-N 3.34Å; T435-N437 PolarHBondContact O-N 2.86Å; T435-M438 PolarHBondContact O-N 3.12Å; T435-I439 HydrophobicContact CG2-CD1 4.1Å; T435-I439 VanDerWaalsContact O-CG1 3.32Å; T435-I439 WeakPolarHBondContact O-CG1 3.17Å; T435-I439 PolarHBondContact O-N 3.12Å
436A94.1Very high94.1Very high0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-58-46.717500000111.3P337 F338 A428 F431 S432 M438 I439 V440P337-A436 HydrophobicContact CB-CB 4.4Å; P337-A436 HydrophobicContact CG-CB 3.67Å; F338-A436 HydrophobicContact CD1-CB 4.02Å; F338-A436 HydrophobicContact CE1-CB 3.64Å; F338-A436 HydrophobicContact CZ-CB 4.37Å; A428-A436 WeakPolarHBondContact O-CB 3.24Å; F431-A436 HydrophobicContact CB-CB 4.42Å; S432-A436 VanDerWaalsContact O-CB 3.24Å; S432-A436 WeakPolarHBondContact O-CB 3.3Å; S432-A436 PolarHBondContact O-N 2.89Å; A436-M438 PolarHBondContact O-N 3.49Å; A436-I439 PolarHBondContact O-N 2.88Å; A436-V440 WeakPolarHBondContact O-CG2 3.43Å; A436-V440 PolarHBondContact O-N 3.43Å; A436-V440 VanDerWaalsContact O-N 3.09Å
437N94.9Very high94Very high20 Ų2055.2 Ų55.211%0.10728%0.284CS..Hα-helixtrans-60.5-42.9174.8-86.6-72.8000112.6F338 W340 K344 S433 F434 T435 V440 Y441F338-N437 PolarHBondContact O-ND2 2.97Å; W340-N437 PolarHBondContact NE1-OD1 3.04Å; K344-N437 PolarHBondContact NZ-OD1 3.33Å; S433-N437 WeakPolarHBondContact O-CB 3.5Å; S433-N437 PolarHBondContact O-N 3.47Å; S433-N437 PolarHBondContact O-ND2 3.27Å; F434-N437 WeakPolarHBondContact O-CB 3.19Å; F434-N437 PolarHBondContact O-N 3.06Å; T435-N437 VanDerWaalsContact C-N 3.34Å; T435-N437 PolarHBondContact O-N 2.86Å; N437-V440 PolarHBondContact O-N 3.43Å; N437-Y441 WeakPolarHBondContact O-CD2 3.31Å; N437-Y441 PolarHBondContact O-N 3.29Å
438M96.1Very high93.8Very high91 Ų9153.8 Ų53.845%0.44828%0.277SS..Hα-helixtrans-62.2-42176.4-72.8-61.3-148.700112.4F434 T435 A436 V440 Y441 I442F434-M438 HydrophobicContact CE1-CE 4.18Å; F434-M438 HydrophobicContact CE1-CG 4.17Å; F434-M438 HydrophobicContact CE2-CE 4.14Å; F434-M438 HydrophobicContact CZ-CE 3.56Å; F434-M438 HydrophobicContact CZ-CG 4.28Å; F434-M438 WeakPolarHBondContact O-CG 3.37Å; F434-M438 PolarHBondContact O-N 2.9Å; T435-M438 PolarHBondContact O-N 3.12Å; A436-M438 PolarHBondContact O-N 3.49Å; M438-V440 VanDerWaalsContact C-N 3.32Å; M438-V440 PolarHBondContact O-N 3.31Å; M438-Y441 PolarHBondContact O-N 3.18Å; M438-Y441 HydrophobicContact SD-CD2 4.47Å; M438-I442 VanDerWaalsContact O-CG1 3.3Å; M438-I442 WeakPolarHBondContact O-CG1 3.32Å; M438-I442 PolarHBondContact O-N 3.21Å
439I96.6Very high93.7Very high23 Ų2353.9 Ų53.912%0.11828%0.278CS..Hα-helixtrans-61.4-42.3176.4-68.6165.1000110.8L424 A428 F431 T435 A436 I442 G443L424-I439 HydrophobicContact CB-CG2 4.04Å; L424-I439 HydrophobicContact CD2-CG2 4.07Å; L424-I439 WeakPolarHBondContact O-CG2 3.26Å; A428-I439 HydrophobicContact CB-CB 4.24Å; A428-I439 HydrophobicContact CB-CG2 3.77Å; F431-I439 HydrophobicContact CB-CD1 4.45Å; F431-I439 HydrophobicContact CD2-CD1 3.14Å; F431-I439 HydrophobicContact CE2-CD1 3.3Å; F431-I439 HydrophobicContact CG-CD1 3.86Å; F431-I439 HydrophobicContact CZ-CD1 4.17Å; T435-I439 HydrophobicContact CG2-CD1 4.1Å; T435-I439 VanDerWaalsContact O-CG1 3.32Å; T435-I439 WeakPolarHBondContact O-CG1 3.17Å; T435-I439 PolarHBondContact O-N 3.12Å; A436-I439 PolarHBondContact O-N 2.88Å; I439-I442 PolarHBondContact O-N 3.29Å; I439-G443 PolarHBondContact O-N 3.41Å
440V95.7Very high93.5Very high1 Ų151.7 Ų51.71%0.00627%0.269CS..Hα-helixtrans-61.3-47.4176174.50000110.6L333 F338 W340 M425 A428 A436 N437 M438 I442 G443 L444L333-V440 HydrophobicContact CD2-CB 4.43Å; L333-V440 HydrophobicContact CD2-CG1 3.8Å; L333-V440 HydrophobicContact CD2-CG2 3.78Å; F338-V440 HydrophobicContact CD1-CG2 3.74Å; F338-V440 HydrophobicContact CE1-CG2 3.35Å; F338-V440 HydrophobicContact CZ-CG2 4.16Å; W340-V440 HydrophobicContact CH2-CG1 3.56Å; W340-V440 HydrophobicContact CZ2-CB 4.12Å; W340-V440 HydrophobicContact CZ2-CG1 3.43Å; W340-V440 VanDerWaalsContact CZ2-CG1 3.43Å; M425-V440 HydrophobicContact SD-CG1 4.31Å; M425-V440 HydrophobicContact SD-CG2 4.13Å; A428-V440 HydrophobicContact CB-CG2 4.11Å; A436-V440 WeakPolarHBondContact O-CG2 3.43Å; A436-V440 PolarHBondContact O-N 3.43Å; A436-V440 VanDerWaalsContact O-N 3.09Å; N437-V440 PolarHBondContact O-N 3.43Å; M438-V440 VanDerWaalsContact C-N 3.32Å; M438-V440 PolarHBondContact O-N 3.31Å; V440-I442 PolarHBondContact O-N 3.41Å; V440-G443 CarbonylContact O-C 3.52Å; V440-G443 WeakPolarHBondContact O-CA 3.43Å; V440-G443 PolarHBondContact O-N 3.05Å; V440-L444 WeakPolarHBondContact O-CG 3.39Å; V440-L444 PolarHBondContact O-N 3.33Å
441Y95.9Very high93.3Very high106 Ų10647.9 Ų47.942%0.41625%0.25SC..Hα-helixtrans-60.4-43.6177.6-70.9-54.3000112.9W340 K344 N437 M438 G443 L444W340-Y441 HydrophobicContact CH2-CE1 4.26Å; W340-Y441 HydrophobicContact CZ2-CD1 4.49Å; W340-Y441 HydrophobicContact CZ2-CE1 4.15Å; K344-Y441 WeakPolarHBondContact CE-OH 3.45Å; K344-Y441 PolarHBondContact NZ-OH 3.07Å; N437-Y441 WeakPolarHBondContact O-CD2 3.31Å; N437-Y441 PolarHBondContact O-N 3.29Å; M438-Y441 PolarHBondContact O-N 3.18Å; M438-Y441 HydrophobicContact SD-CD2 4.47Å; Y441-G443 PolarHBondContact O-N 2.8Å; Y441-L444 HydrophobicContact CD1-CD1 4.02Å; Y441-L444 WeakPolarHBondContact O-CB 3.39Å; Y441-L444 PolarHBondContact O-N 3.47Å; Y441-L444 VanDerWaalsContact O-N 3.16Å
442I96.6Very high93.1Very high107 Ų10743.9 Ų43.955%0.54923%0.232SC..Hα-helixtrans-60.4-39.9173.4-67.2166.2000110L424 M438 I439 V440 L444 V445 P446L424-I442 HydrophobicContact CD1-CG2 4.19Å; M438-I442 VanDerWaalsContact O-CG1 3.3Å; M438-I442 WeakPolarHBondContact O-CG1 3.32Å; M438-I442 PolarHBondContact O-N 3.21Å; I439-I442 PolarHBondContact O-N 3.29Å; V440-I442 PolarHBondContact O-N 3.41Å; I442-L444 VanDerWaalsContact C-N 3.27Å; I442-L444 PolarHBondContact O-N 3.25Å; I442-V445 PolarHBondContact O-N 2.98Å; I442-P446 WeakPolarHBondContact O-CD 3.41Å
443G95.2Very high93.1Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-65.6-22.1176.900000114.7N421 I439 V440 Y441 V445 P446 K447N421-G443 PolarHBondContact ND2-O 3.42Å; I439-G443 PolarHBondContact O-N 3.41Å; V440-G443 CarbonylContact O-C 3.52Å; V440-G443 WeakPolarHBondContact O-CA 3.43Å; V440-G443 PolarHBondContact O-N 3.05Å; Y441-G443 PolarHBondContact O-N 2.8Å; G443-V445 VanDerWaalsContact C-N 3.34Å; G443-P446 VanDerWaalsContact O-CD 3.3Å; G443-P446 WeakPolarHBondContact O-CD 3.25Å; G443-P446 WeakPolarHBondContact O-CG 3.24Å; G443-K447 PolarHBondContact O-N 2.88Å
444L94Very high93Very high29 Ų2940.3 Ų40.315%0.15220%0.201CC..Hα-helixtrans-70.2-29.3175.2-63.5174.8000112.7S348 V440 Y441 I442 K447 L448S348-L444 WeakPolarHBondContact OG-CD1 3.32Å; V440-L444 WeakPolarHBondContact O-CG 3.39Å; V440-L444 PolarHBondContact O-N 3.33Å; Y441-L444 HydrophobicContact CD1-CD1 4.02Å; Y441-L444 WeakPolarHBondContact O-CB 3.39Å; Y441-L444 PolarHBondContact O-N 3.47Å; Y441-L444 VanDerWaalsContact O-N 3.16Å; I442-L444 VanDerWaalsContact C-N 3.27Å; I442-L444 PolarHBondContact O-N 3.25Å; L444-K447 HydrophobicContact CD2-CD 4.23Å; L444-K447 VanDerWaalsContact O-CB 3.3Å; L444-K447 WeakPolarHBondContact O-CB 3.33Å; L444-K447 PolarHBondContact O-N 3.47Å; L444-L448 PolarHBondContact O-N 2.67Å
445V94.9Very high92.7Very high101 Ų10135.2 Ų35.261%0.61218%0.182SC*.Hα-helixtrans-61.8-54.5178.6179.50000112.1I442 G443 K447 L448I442-V445 PolarHBondContact O-N 2.98Å; G443-V445 VanDerWaalsContact C-N 3.34Å; V445-K447 PolarHBondContact O-N 3.24Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 VanDerWaalsContact O-CG 3.29Å; V445-L448 WeakPolarHBondContact O-CG 3.42Å; V445-L448 PolarHBondContact O-N 3.08Å
446P94.4Very high92.5Very high8 Ų832.7 Ų32.75%0.05217%0.166CC..Hα-helixtrans-67.9-23.217727.4-34.7000112.9L417 L420 N421 L424 I442 G443 L448 A449L417-P446 HydrophobicContact CB-CB 3.92Å; L417-P446 HydrophobicContact CD2-CB 3.96Å; L417-P446 WeakPolarHBondContact O-CB 3.47Å; L420-P446 HydrophobicContact CB-CB 4.46Å; L420-P446 HydrophobicContact CD2-CB 4.28Å; L420-P446 HydrophobicContact CD2-CG 4.26Å; L420-P446 HydrophobicContact CG-CG 4.29Å; N421-P446 HydrophobicContact CB-CG 4.2Å; L424-P446 HydrophobicContact CD1-CG 4.48Å; I442-P446 WeakPolarHBondContact O-CD 3.41Å; G443-P446 VanDerWaalsContact O-CD 3.3Å; G443-P446 WeakPolarHBondContact O-CD 3.25Å; G443-P446 WeakPolarHBondContact O-CG 3.24Å; P446-L448 PolarHBondContact O-N 3.36Å; P446-A449 PolarHBondContact O-N 2.98Å
447K92.7Very high92.4Very high10 Ų1032.7 Ų32.74%0.04317%0.167CC..Hα-helixtrans-59.8-25.8174.1-174.1176164.6178.80112.7D325 T352 N421 G443 L444 V445 A449 K450D325-K447 VanDerWaalsContact CG-CE 3.46Å; D325-K447 VanDerWaalsContact OD1-CE 3.27Å; D325-K447 WeakPolarHBondContact OD1-CE 3.36Å; D325-K447 IonicContact OD1-NZ 2.94Å; D325-K447 PolarHBondContact OD1-NZ 2.96Å; D325-K447 WeakPolarHBondContact OD2-CE 3.47Å; D325-K447 IonicContact OD2-NZ 3.4Å; D325-K447 PolarHBondContact OD2-NZ 3.33Å; T352-K447 HydrophobicContact CG2-CB 4.33Å; T352-K447 HydrophobicContact CG2-CD 3.93Å; T352-K447 HydrophobicContact CG2-CG 4.07Å; N421-K447 HydrophobicContact CB-CB 4.45Å; G443-K447 PolarHBondContact O-N 2.88Å; L444-K447 HydrophobicContact CD2-CD 4.23Å; L444-K447 VanDerWaalsContact O-CB 3.3Å; L444-K447 WeakPolarHBondContact O-CB 3.33Å; L444-K447 PolarHBondContact O-N 3.47Å; V445-K447 PolarHBondContact O-N 3.24Å; K447-A449 PolarHBondContact O-N 3.41Å; K447-K450 WeakPolarHBondContact O-CB 3.26Å; K447-K450 PolarHBondContact O-N 3.26Å
448L92.5Very high92.1Very high41 Ų4137.3 Ų37.322%0.21518%0.182CC..THydrogen-bonded Turntrans-57.1-23.4177.4-62177.3000113.2T352 C355 S356 L359 L444 V445 P446 K450T352-L448 HydrophobicContact CG2-CD2 3.91Å; T352-L448 WeakPolarHBondContact O-CD2 3.32Å; C355-L448 HydrophobicContact CB-CD1 4.48Å; C355-L448 HydrophobicContact CB-CD2 3.49Å; C355-L448 VanDerWaalsContact CB-CD2 3.49Å; S356-L448 WeakPolarHBondContact CB-O 3.38Å; L359-L448 HydrophobicContact CD2-CB 4.04Å; L444-L448 PolarHBondContact O-N 2.67Å; V445-L448 WeakPolarHBondContact O-CB 3.36Å; V445-L448 VanDerWaalsContact O-CG 3.29Å; V445-L448 WeakPolarHBondContact O-CG 3.42Å; V445-L448 PolarHBondContact O-N 3.08Å; P446-L448 PolarHBondContact O-N 3.36Å; L448-K450 PolarHBondContact O-N 3.41Å
449A91.7Very high91.7Very high2 Ų234.3 Ų34.32%0.01717%0.169CC..THydrogen-bonded Turntrans-73.7-9.2179.200000114.7A414 L417 P446 K447 N451 I452 N453A414-A449 HydrophobicContact CB-CB 4.39Å; L417-A449 HydrophobicContact CB-CB 3.84Å; L417-A449 HydrophobicContact CD1-CB 3.73Å; L417-A449 HydrophobicContact CG-CB 4.44Å; P446-A449 PolarHBondContact O-N 2.98Å; K447-A449 PolarHBondContact O-N 3.41Å; A449-N451 PolarHBondContact O-N 2.88Å; A449-I452 HydrophobicContact CB-CD1 4.03Å; A449-I452 WeakPolarHBondContact O-CB 3.36Å; A449-I452 PolarHBondContact O-N 2.98Å; A449-N453 PolarHBondContact O-ND2 3.19Å
450K89Confident91.4Very high13 Ų1333.2 Ų33.26%0.05716%0.164CC..G310 helixtrans-47.3-58.3-178.7175.7-176.8168.4-161.70112.8A322 M323 D325 E353 M418 K447 L448 I452 N453A322-K450 WeakPolarHBondContact O-CG 3.1Å; M323-K450 HydrophobicContact CE-CG 4.05Å; M323-K450 VanDerWaalsContact CE-O 3.24Å; M323-K450 WeakPolarHBondContact CE-O 3.34Å; M323-K450 WeakPolarHBondContact O-CE 3.48Å; D325-K450 IonicContact OD2-NZ 3.02Å; D325-K450 PolarHBondContact OD2-NZ 3.47Å; E353-K450 IonicContact OE2-NZ 2.79Å; E353-K450 PolarHBondContact OE2-NZ 3.42Å; E353-K450 VanDerWaalsContact OE2-NZ 3.09Å; M418-K450 HydrophobicContact CE-CB 4.14Å; M418-K450 HydrophobicContact CE-CG 4.44Å; M418-K450 HydrophobicContact SD-CB 3.78Å; K447-K450 WeakPolarHBondContact O-CB 3.26Å; K447-K450 PolarHBondContact O-N 3.26Å; L448-K450 PolarHBondContact O-N 3.41Å; K450-I452 PolarHBondContact O-N 2.71Å; K450-I452 VanDerWaalsContact O-N 3.12Å; K450-N453 PolarHBondContact O-N 3.28Å; K450-N453 PolarHBondContact O-ND2 3.46Å
451N87.1Confident91.1Very high31 Ų3133.1 Ų33.117%0.16616%0.163CC..G310 helixtrans-73.8-4.9-171.2-71.9-9.9000114.6E353 S356 S360 A449 P455E353-N451 PolarHBondContact OE1-ND2 2.85Å; S356-N451 PolarHBondContact OG-ND2 3.24Å; S360-N451 PolarHBondContact OG-O 3.35Å; A449-N451 PolarHBondContact O-N 2.88Å; N451-P455 WeakPolarHBondContact O-CD 3.45Å
452I88.8Confident90.7Very high10 Ų1030 Ų305%0.05116%0.155CC..G310 helixtrans-79.1-30177-50.9166.4000110.9L359 I363 A449 K450 F454 P455 L456L359-I452 HydrophobicContact CD2-CD1 3.99Å; L359-I452 HydrophobicContact CG-CD1 4.22Å; I363-I452 HydrophobicContact CB-CG2 4.47Å; I363-I452 HydrophobicContact CD1-CD1 3.3Å; I363-I452 HydrophobicContact CD1-CG1 3.81Å; I363-I452 HydrophobicContact CD1-CG2 4.07Å; I363-I452 HydrophobicContact CG2-CG2 3.86Å; A449-I452 HydrophobicContact CB-CD1 4.03Å; A449-I452 WeakPolarHBondContact O-CB 3.36Å; A449-I452 PolarHBondContact O-N 2.98Å; K450-I452 PolarHBondContact O-N 2.71Å; K450-I452 VanDerWaalsContact O-N 3.12Å; I452-F454 PolarHBondContact O-N 3.31Å; I452-P455 WeakPolarHBondContact O-CD 3.32Å; I452-L456 HydrophobicContact CG2-CD1 3.64Å; I452-L456 HydrophobicContact CG2-CG 4.05Å; I452-L456 WeakPolarHBondContact O-CG 3.48Å; I452-L456 PolarHBondContact O-N 3.3Å
453N90.6Very high90.1Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-64.3-40.6-169.3-65.4-65.3000113.2V318 M323 A414 A449 K450 L456 L457V318-N453 HydrophobicContact CG1-CB 3.98Å; M323-N453 HydrophobicContact CE-CB 3.96Å; A414-N453 WeakPolarHBondContact CB-OD1 3.49Å; A449-N453 PolarHBondContact O-ND2 3.19Å; K450-N453 PolarHBondContact O-N 3.28Å; K450-N453 PolarHBondContact O-ND2 3.46Å; N453-L456 PolarHBondContact O-N 3.21Å; N453-L457 WeakPolarHBondContact O-CB 3.37Å; N453-L457 WeakPolarHBondContact O-CD1 3.4Å; N453-L457 VanDerWaalsContact O-CG 3.26Å; N453-L457 WeakPolarHBondContact O-CG 3.23Å; N453-L457 PolarHBondContact O-N 3.48Å
454F85.9Confident89.6Confident56 Ų5629.1 Ų29.125%0.24615%0.149CC..Hα-helixtrans-64.2-52.2-178.7-94.2-67.3000113.4L315 M323 I452 L456 L457 R458L315-F454 HydrophobicContact CD1-CD1 3.95Å; L315-F454 HydrophobicContact CD1-CE1 3.77Å; M323-F454 HydrophobicContact CB-CE2 3.85Å; M323-F454 HydrophobicContact CB-CZ 4.48Å; M323-F454 HydrophobicContact CG-CD2 4.01Å; M323-F454 HydrophobicContact CG-CE2 3.29Å; M323-F454 HydrophobicContact CG-CZ 3.87Å; M323-F454 HydrophobicContact SD-CD2 3.16Å; M323-F454 WeakPolarHBondContact SD-CD2 3.37Å; M323-F454 HydrophobicContact SD-CE2 3.13Å; M323-F454 WeakPolarHBondContact SD-CE2 3.39Å; M323-F454 HydrophobicContact SD-CG 4.22Å; M323-F454 HydrophobicContact SD-CZ 4.13Å; I452-F454 PolarHBondContact O-N 3.31Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 PolarHBondContact O-N 3.36Å; F454-L457 PolarHBondContact O-N 3.47Å; F454-R458 WeakPolarHBondContact O-CB 3.37Å; F454-R458 VanDerWaalsContact O-CG 3.32Å; F454-R458 WeakPolarHBondContact O-CG 3.07Å; F454-R458 PolarHBondContact O-N 3.47Å
455P85.1Confident89Confident37 Ų3728.1 Ų28.124%0.2414%0.144CC..Hα-helixtrans-55.3-45174.4-27.734.4000112.6V364 N451 I452 L457 R458 T459V364-P455 HydrophobicContact CG2-CB 3.76Å; V364-P455 HydrophobicContact CG2-CG 4.02Å; N451-P455 WeakPolarHBondContact O-CD 3.45Å; I452-P455 WeakPolarHBondContact O-CD 3.32Å; P455-L457 PolarHBondContact O-N 3.17Å; P455-R458 PolarHBondContact O-N 3.23Å; P455-T459 WeakPolarHBondContact O-CB 3.43Å; P455-T459 PolarHBondContact O-N 3.36Å; P455-T459 PolarHBondContact O-OG1 2.94Å
456L90.3Very high87.8Confident0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-58.3-50.3177.9-74.2174.2000112.4L367 L407 L410 L411 I452 N453 F454 R458 T459 L460L367-L456 HydrophobicContact CD1-CD2 3.54Å; L367-L456 HydrophobicContact CD1-CG 4.47Å; L407-L456 HydrophobicContact CD2-CD2 3.97Å; L410-L456 HydrophobicContact CB-CD2 4.45Å; L410-L456 HydrophobicContact CD2-CD1 4.4Å; L410-L456 HydrophobicContact CD2-CD2 3.73Å; L410-L456 HydrophobicContact CG-CD1 4.01Å; L410-L456 HydrophobicContact CG-CD2 4.12Å; L411-L456 HydrophobicContact CB-CD1 4.34Å; L411-L456 HydrophobicContact CD1-CB 4.46Å; L411-L456 HydrophobicContact CD1-CD1 4.44Å; I452-L456 HydrophobicContact CG2-CD1 3.64Å; I452-L456 HydrophobicContact CG2-CG 4.05Å; I452-L456 WeakPolarHBondContact O-CG 3.48Å; I452-L456 PolarHBondContact O-N 3.3Å; N453-L456 PolarHBondContact O-N 3.21Å; F454-L456 VanDerWaalsContact C-N 3.31Å; F454-L456 PolarHBondContact O-N 3.36Å; L456-R458 VanDerWaalsContact C-N 3.35Å; L456-R458 PolarHBondContact O-N 3.08Å; L456-T459 PolarHBondContact O-N 3.02Å; L456-L460 WeakPolarHBondContact O-CG 3.32Å; L456-L460 PolarHBondContact O-N 3.48Å
457L92Very high86.4Confident1 Ų131 Ų311%0.00517%0.172CC..Hα-helixtrans-64.5-40.9180-72.2164.7000111.3I311 I314 L315 V318 L411 N453 F454 P455 T459 L460 I461I311-L457 HydrophobicContact CG2-CD2 4.11Å; I314-L457 HydrophobicContact CB-CD2 4.29Å; I314-L457 HydrophobicContact CG2-CD2 3.77Å; L315-L457 HydrophobicContact CB-CD1 4.25Å; L315-L457 HydrophobicContact CD1-CB 4.06Å; L315-L457 HydrophobicContact CD1-CD1 3.71Å; L315-L457 HydrophobicContact CD1-CG 4.5Å; V318-L457 HydrophobicContact CB-CD1 4.34Å; V318-L457 HydrophobicContact CG1-CD1 4.28Å; V318-L457 HydrophobicContact CG2-CD1 4.39Å; L411-L457 HydrophobicContact CD1-CD2 4.16Å; L411-L457 HydrophobicContact CD1-CG 4.1Å; L411-L457 HydrophobicContact CD2-CD2 3.87Å; N453-L457 WeakPolarHBondContact O-CB 3.37Å; N453-L457 WeakPolarHBondContact O-CD1 3.4Å; N453-L457 VanDerWaalsContact O-CG 3.26Å; N453-L457 WeakPolarHBondContact O-CG 3.23Å; N453-L457 PolarHBondContact O-N 3.48Å; F454-L457 PolarHBondContact O-N 3.47Å; P455-L457 PolarHBondContact O-N 3.17Å; L457-T459 PolarHBondContact O-N 2.95Å; L457-L460 PolarHBondContact O-N 3.45Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CD1 3.32Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.99Å
458R88.8Confident85.3Confident116 Ų11639.5 Ų39.544%0.43821%0.212SC..Hα-helixtrans-61-45.2174.6-75.1-179175.8-177.21.5111.4F454 P455 L456 L460 I461 T462 L474F454-R458 WeakPolarHBondContact O-CB 3.37Å; F454-R458 VanDerWaalsContact O-CG 3.32Å; F454-R458 WeakPolarHBondContact O-CG 3.07Å; F454-R458 PolarHBondContact O-N 3.47Å; P455-R458 PolarHBondContact O-N 3.23Å; L456-R458 VanDerWaalsContact C-N 3.35Å; L456-R458 PolarHBondContact O-N 3.08Å; R458-L460 PolarHBondContact O-N 2.96Å; R458-I461 PolarHBondContact O-N 3.46Å; R458-T462 WeakPolarHBondContact O-CG2 3.08Å; R458-T462 PolarHBondContact O-N 3.25Å; R458-T462 PolarHBondContact O-OG1 2.92Å; R458-L474 HydrophobicContact CB-CD1 4.32Å; R458-L474 HydrophobicContact CG-CD1 3.98Å
459T87.9Confident84.4Confident28 Ų2843.6 Ų43.617%0.17223%0.225CC..Hα-helixtrans-61.4-43.3176.4-60.30000111.9L407 P455 L456 L457 T462 N463L407-T459 HydrophobicContact CD1-CG2 3.84Å; L407-T459 HydrophobicContact CD2-CG2 4.28Å; P455-T459 WeakPolarHBondContact O-CB 3.43Å; P455-T459 PolarHBondContact O-N 3.36Å; P455-T459 PolarHBondContact O-OG1 2.94Å; L456-T459 PolarHBondContact O-N 3.02Å; L457-T459 PolarHBondContact O-N 2.95Å; T459-T462 VanDerWaalsContact CA-OG1 3.31Å; T459-T462 WeakPolarHBondContact CA-OG1 3.29Å; T459-T462 PolarHBondContact O-N 3.22Å; T459-T462 PolarHBondContact O-OG1 3.38Å; T459-N463 WeakPolarHBondContact O-CB 3.35Å; T459-N463 PolarHBondContact O-N 3.4Å; T459-N463 PolarHBondContact O-OD1 3.42Å
460L90.2Very high83.8Confident0 Ų047.2 Ų47.20%024%0.24CC..Hα-helixtrans-60.8-45.8175.1-73.3173.8000111.3I311 L407 F408 L411 L456 L457 R458 T462 N463 W464I311-L460 HydrophobicContact CD1-CB 4.14Å; I311-L460 HydrophobicContact CG2-CB 4.13Å; L407-L460 HydrophobicContact CB-CD2 3.73Å; L407-L460 HydrophobicContact CB-CG 4.34Å; L407-L460 HydrophobicContact CD1-CD2 4.01Å; F408-L460 HydrophobicContact CD2-CD1 4.34Å; F408-L460 HydrophobicContact CD2-CD2 3.68Å; F408-L460 HydrophobicContact CE1-CD1 4.29Å; F408-L460 HydrophobicContact CE2-CD1 4.1Å; F408-L460 HydrophobicContact CE2-CD2 3.45Å; F408-L460 VanDerWaalsContact CE2-CD2 3.45Å; F408-L460 HydrophobicContact CE2-CG 4.36Å; F408-L460 HydrophobicContact CZ-CD1 4.07Å; F408-L460 HydrophobicContact CZ-CD2 4.19Å; L411-L460 HydrophobicContact CD2-CD1 3.84Å; L456-L460 WeakPolarHBondContact O-CG 3.32Å; L456-L460 PolarHBondContact O-N 3.48Å; L457-L460 PolarHBondContact O-N 3.45Å; R458-L460 PolarHBondContact O-N 2.96Å; L460-T462 VanDerWaalsContact C-N 3.34Å; L460-T462 PolarHBondContact O-N 3.36Å; L460-N463 PolarHBondContact O-N 2.76Å; L460-W464 VanDerWaalsContact O-CD1 3.25Å; L460-W464 PolarHBondContact O-N 3.37Å
461I90.3Very high83Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-60.4-43.7176.4-68.8164.5000110.9I311 L312 L315 L457 R458 N463 W464 S465 I473 A477I311-I461 HydrophobicContact CG2-CD1 4.22Å; I311-I461 HydrophobicContact CG2-CG1 3.58Å; L312-I461 HydrophobicContact CD2-CD1 3.9Å; L312-I461 HydrophobicContact CD2-CG1 4.4Å; L315-I461 HydrophobicContact CD2-CD1 3.83Å; L457-I461 WeakPolarHBondContact O-CB 3.43Å; L457-I461 WeakPolarHBondContact O-CD1 3.32Å; L457-I461 WeakPolarHBondContact O-CG1 3.39Å; L457-I461 PolarHBondContact O-N 2.99Å; R458-I461 PolarHBondContact O-N 3.46Å; I461-N463 VanDerWaalsContact C-N 3.31Å; I461-N463 PolarHBondContact O-N 3.31Å; I461-W464 PolarHBondContact O-N 2.7Å; I461-S465 VanDerWaalsContact O-CB 3.25Å; I461-S465 WeakPolarHBondContact O-CB 3.39Å; I461-S465 PolarHBondContact O-N 3.06Å; I461-S465 PolarHBondContact O-OG 3.39Å; I461-I473 HydrophobicContact CG2-CG2 3.57Å; I461-A477 HydrophobicContact CD1-CB 3.68Å
462T86.6Confident82.6Confident39 Ų3950.5 Ų50.524%0.23927%0.269CS..Hα-helixtrans-67.2-30178.953.80000113.6R458 T459 L460 S465 K470R458-T462 WeakPolarHBondContact O-CG2 3.08Å; R458-T462 PolarHBondContact O-N 3.25Å; R458-T462 PolarHBondContact O-OG1 2.92Å; T459-T462 VanDerWaalsContact CA-OG1 3.31Å; T459-T462 WeakPolarHBondContact CA-OG1 3.29Å; T459-T462 PolarHBondContact O-N 3.22Å; T459-T462 PolarHBondContact O-OG1 3.38Å; L460-T462 VanDerWaalsContact C-N 3.34Å; L460-T462 PolarHBondContact O-N 3.36Å; T462-S465 WeakPolarHBondContact CA-OG 3.49Å; T462-S465 PolarHBondContact O-OG 2.61Å; T462-K470 WeakPolarHBondContact O-CE 3.44Å; T462-K470 PolarHBondContact O-NZ 3.49Å
463N84.2Confident82.4Confident59 Ų5950.2 Ų50.232%0.31627%0.268SS..Hα-helixtrans-78-31.6178.7-72.5-6.8000112L403 T459 L460 I461L403-N463 VanDerWaalsContact CD2-ND2 3.34Å; L403-N463 WeakPolarHBondContact CD2-ND2 3.49Å; T459-N463 WeakPolarHBondContact O-CB 3.35Å; T459-N463 PolarHBondContact O-N 3.4Å; T459-N463 PolarHBondContact O-OD1 3.42Å; L460-N463 PolarHBondContact O-N 2.76Å; I461-N463 VanDerWaalsContact C-N 3.31Å; I461-N463 PolarHBondContact O-N 3.31Å
464W84.5Confident82.2Confident31 Ų3152.9 Ų52.912%0.11728%0.282CS..Hα-helixtrans-93.8-13.2-179.2-7893000113.7I307 L308 I311 Q404 L460 I461 F525 V529I307-W464 HydrophobicContact CB-CD2 4.39Å; I307-W464 HydrophobicContact CB-CE3 4.06Å; I307-W464 HydrophobicContact CB-CH2 4.44Å; I307-W464 HydrophobicContact CB-CZ3 4.07Å; I307-W464 HydrophobicContact CD1-CE3 4.34Å; I307-W464 HydrophobicContact CD1-CH2 3.31Å; I307-W464 HydrophobicContact CD1-CZ2 4.02Å; I307-W464 HydrophobicContact CD1-CZ3 3.5Å; I307-W464 VanDerWaalsContact CD1-CZ3 3.5Å; I307-W464 HydrophobicContact CG1-CH2 4.44Å; I307-W464 HydrophobicContact CG1-CZ3 4.36Å; I307-W464 HydrophobicContact CG2-CD2 3.72Å; I307-W464 HydrophobicContact CG2-CE3 3.9Å; I307-W464 HydrophobicContact CG2-CG 4.31Å; I307-W464 HydrophobicContact CG2-CH2 4.17Å; I307-W464 HydrophobicContact CG2-CZ2 4Å; I307-W464 HydrophobicContact CG2-CZ3 4.11Å; L308-W464 HydrophobicContact CD1-CB 4.48Å; L308-W464 VanDerWaalsContact CD1-O 3.23Å; L308-W464 WeakPolarHBondContact CD1-O 3.21Å; L308-W464 HydrophobicContact CD2-CB 3.27Å; L308-W464 HydrophobicContact CD2-CG 4.49Å; L308-W464 HydrophobicContact CG-CB 3.68Å; I311-W464 HydrophobicContact CD1-CB 4.38Å; I311-W464 HydrophobicContact CD1-CG 4.03Å; Q404-W464 VanDerWaalsContact OE1-CZ2 3.28Å; L460-W464 VanDerWaalsContact O-CD1 3.25Å; L460-W464 PolarHBondContact O-N 3.37Å; I461-W464 PolarHBondContact O-N 2.7Å; W464-F525 AromaticContact CE2-CE2 3.79Å; W464-F525 HydrophobicContact CH2-CE2 4.28Å; W464-F525 AromaticContact CZ2-CE2 3.38Å; W464-F525 HydrophobicContact CZ2-CE2 3.38Å; W464-F525 AromaticContact CZ2-CZ 3.67Å; W464-F525 HydrophobicContact CZ2-CZ 3.67Å; W464-F525 AromaticContact NE1-CE2 3.88Å; W464-V529 HydrophobicContact CH2-CG2 4.1Å; W464-V529 HydrophobicContact CZ2-CG2 4.14Å
465S82Confident82Confident7 Ų754.1 Ų54.15%0.04930%0.297CS..SBendtrans-83.8132.8172.747.50000111.3I461 T462 K470 I473I461-S465 VanDerWaalsContact O-CB 3.25Å; I461-S465 WeakPolarHBondContact O-CB 3.39Å; I461-S465 PolarHBondContact O-N 3.06Å; I461-S465 PolarHBondContact O-OG 3.39Å; T462-S465 WeakPolarHBondContact CA-OG 3.49Å; T462-S465 PolarHBondContact O-OG 2.61Å; S465-K470 WeakPolarHBondContact O-CE 3.38Å; S465-I473 VanDerWaalsContact CB-CD1 3.47Å
466G70.2Confident82Confident48 Ų4854.1 Ų54.150%0.49529%0.294SS..  trans-57.2142.8173.700000111.2Q468 R469 K470G466-Q468 PolarHBondContact O-N 3.05Å; G466-Q468 VanDerWaalsContact O-N 3.09Å; G466-R469 PolarHBondContact O-N 3.41Å; G466-K470 WeakPolarHBondContact O-CG 3.21Å; G466-K470 PolarHBondContact O-N 3.33Å
467T65.3Low81.9Confident122 Ų12254.2 Ų54.275%0.74830%0.295SS*.G310 helixtrans-48.2-40-175.447.70000113.8R469T467-R469 PolarHBondContact O-N 3.01Å
468Q67.8Low81.6Confident188 Ų18855.9 Ų55.988%0.87931%0.307SS*.G310 helixtrans-74-19.9-179.7-65.7-176.8-11.200114.7G466G466-Q468 PolarHBondContact O-N 3.05Å; G466-Q468 VanDerWaalsContact O-N 3.09Å
469R74Confident81.5Confident128 Ų12855.7 Ų55.748%0.48331%0.309SS..G310 helixtrans-117.55.4-171.7-63.4179.3177.7-1761.3113.8G466 T467 G471 L472 I473G466-R469 PolarHBondContact O-N 3.41Å; T467-R469 PolarHBondContact O-N 3.01Å; R469-G471 PolarHBondContact O-N 3.41Å; R469-L472 PolarHBondContact O-N 2.94Å; R469-I473 HydrophobicContact CB-CD1 4.18Å; R469-I473 WeakPolarHBondContact O-CG1 3.45Å; R469-I473 PolarHBondContact O-N 3.3Å
470K78.8Confident81.6Confident78 Ų7855.4 Ų55.434%0.33931%0.306SS..Hα-helixtrans-53.9-48.6-176.9-63.3-166.9171.9-177.10113T462 S465 G466 L472 I473 L474T462-K470 WeakPolarHBondContact O-CE 3.44Å; T462-K470 PolarHBondContact O-NZ 3.49Å; S465-K470 WeakPolarHBondContact O-CE 3.38Å; G466-K470 WeakPolarHBondContact O-CG 3.21Å; G466-K470 PolarHBondContact O-N 3.33Å; K470-L472 PolarHBondContact O-N 3.36Å; K470-I473 PolarHBondContact O-N 2.96Å; K470-L474 VanDerWaalsContact O-CB 3.28Å; K470-L474 WeakPolarHBondContact O-CB 3.33Å; K470-L474 PolarHBondContact O-N 3.43Å
471G73Confident81.6Confident50 Ų5055.9 Ų55.952%0.51531%0.31SS..Hα-helixtrans-60.7-45.8-17900000112.5R469 L474 S475R469-G471 PolarHBondContact O-N 3.41Å; G471-L474 PolarHBondContact O-N 3.25Å; G471-S475 PolarHBondContact O-N 2.88Å; G471-S475 PolarHBondContact O-OG 3.16Å; G471-S475 VanDerWaalsContact O-OG 3.09Å
472L79.4Confident81.4Confident62 Ų6259.8 Ų59.833%0.32532%0.324SS..Hα-helixtrans-62.2-46.3178.9-179.5150.4000112V297 T300 R469 K470 L474 S475 F476V297-L472 HydrophobicContact CB-CD2 4.14Å; V297-L472 HydrophobicContact CG1-CD2 3.86Å; V297-L472 HydrophobicContact CG1-CG 4.46Å; V297-L472 HydrophobicContact CG2-CD1 3.79Å; V297-L472 HydrophobicContact CG2-CD2 3.92Å; V297-L472 HydrophobicContact CG2-CG 3.76Å; T300-L472 HydrophobicContact CG2-CD2 4.07Å; R469-L472 PolarHBondContact O-N 2.94Å; K470-L472 PolarHBondContact O-N 3.36Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.27Å; L472-S475 PolarHBondContact O-N 3.19Å; L472-F476 PolarHBondContact O-N 3.25Å
473I84.5Confident81.5Confident4 Ų460.6 Ų60.62%0.02133%0.327CS..Hα-helixtrans-66.7-37.3179.3-66.1169.2000110.6I461 S465 R469 K470 F476 A477I461-I473 HydrophobicContact CG2-CG2 3.57Å; S465-I473 VanDerWaalsContact CB-CD1 3.47Å; R469-I473 HydrophobicContact CB-CD1 4.18Å; R469-I473 WeakPolarHBondContact O-CG1 3.45Å; R469-I473 PolarHBondContact O-N 3.3Å; K470-I473 PolarHBondContact O-N 2.96Å; I473-F476 PolarHBondContact O-N 3.46Å; I473-A477 WeakPolarHBondContact O-CB 3.31Å; I473-A477 PolarHBondContact O-N 2.77Å
474L84.9Confident81.9Confident56 Ų5657.8 Ų57.829%0.29331%0.312SS..Hα-helixtrans-68.8-36.6177.2-171.265.4000112.5R458 K470 G471 L472 A477 S478R458-L474 HydrophobicContact CB-CD1 4.32Å; R458-L474 HydrophobicContact CG-CD1 3.98Å; K470-L474 VanDerWaalsContact O-CB 3.28Å; K470-L474 WeakPolarHBondContact O-CB 3.33Å; K470-L474 PolarHBondContact O-N 3.43Å; G471-L474 PolarHBondContact O-N 3.25Å; L472-L474 VanDerWaalsContact C-N 3.33Å; L472-L474 PolarHBondContact O-N 3.27Å; L474-A477 PolarHBondContact O-N 3.43Å; L474-S478 WeakPolarHBondContact O-CB 3.22Å; L474-S478 PolarHBondContact O-N 3.34Å; L474-S478 PolarHBondContact O-OG 3.2Å
475S82Confident82.1Confident82 Ų8257.8 Ų57.857%0.57331%0.314SS*.Hα-helixtrans-62.6-43.3171.1-62.90000111.2G471 L472 S478 F479G471-S475 PolarHBondContact O-N 2.88Å; G471-S475 PolarHBondContact O-OG 3.16Å; G471-S475 VanDerWaalsContact O-OG 3.09Å; L472-S475 PolarHBondContact O-N 3.19Å; S475-S478 WeakPolarHBondContact O-CB 3.46Å; S475-S478 PolarHBondContact O-N 2.9Å; S475-F479 PolarHBondContact O-N 3.14Å
476F85.9Confident82.4Confident37 Ų3758.9 Ų58.916%0.16232%0.319CS..Hα-helixtrans-65.7-42176.1-172.6-112.8000112.8V297 L298 V301 L312 L472 I473 S478 F479 I480V297-F476 HydrophobicContact CG1-CB 3.68Å; V297-F476 HydrophobicContact CG1-CD2 3.54Å; V297-F476 HydrophobicContact CG1-CE2 4.34Å; V297-F476 HydrophobicContact CG1-CG 3.71Å; L298-F476 HydrophobicContact CD1-CZ 4.13Å; V301-F476 HydrophobicContact CB-CD1 4.43Å; V301-F476 HydrophobicContact CB-CE1 4.28Å; V301-F476 HydrophobicContact CG1-CD1 4.27Å; V301-F476 HydrophobicContact CG1-CE1 3.95Å; V301-F476 HydrophobicContact CG2-CD1 3.67Å; V301-F476 HydrophobicContact CG2-CE1 4.01Å; V301-F476 HydrophobicContact CG2-CG 4.27Å; L312-F476 HydrophobicContact CD1-CD1 4.22Å; L312-F476 HydrophobicContact CD1-CE1 4.35Å; L472-F476 PolarHBondContact O-N 3.25Å; I473-F476 PolarHBondContact O-N 3.46Å; F476-S478 VanDerWaalsContact C-N 3.27Å; F476-S478 PolarHBondContact O-N 3.48Å; F476-F479 HydrophobicContact CD2-CD1 4.46Å; F476-F479 HydrophobicContact CE2-CD1 4.39Å; F476-F479 WeakPolarHBondContact O-CB 3.3Å; F476-F479 PolarHBondContact O-N 3.41Å; F476-F479 VanDerWaalsContact O-N 3.15Å; F476-I480 HydrophobicContact CD1-CD1 3.67Å; F476-I480 HydrophobicContact CD1-CG1 4.35Å; F476-I480 HydrophobicContact CE1-CD1 3.27Å; F476-I480 HydrophobicContact CE1-CG1 4.04Å; F476-I480 HydrophobicContact CZ-CD1 3.82Å; F476-I480 HydrophobicContact CZ-CG1 4.16Å; F476-I480 PolarHBondContact O-N 3.1Å
477A88.1Confident83.4Confident2 Ų259.4 Ų59.42%0.01731%0.31CS..Hα-helixtrans-58.2-42173.700000111.7L312 L315 I461 I473 L474 I480 S481L312-A477 HydrophobicContact CD2-CB 3.73Å; L315-A477 HydrophobicContact CD2-CB 3.67Å; L315-A477 WeakPolarHBondContact CD2-O 3.46Å; I461-A477 HydrophobicContact CD1-CB 3.68Å; I473-A477 WeakPolarHBondContact O-CB 3.31Å; I473-A477 PolarHBondContact O-N 2.77Å; L474-A477 PolarHBondContact O-N 3.43Å; A477-I480 PolarHBondContact O-N 3.33Å; A477-S481 PolarHBondContact O-N 2.97Å; A477-S481 PolarHBondContact O-OG 3.02Å
478S86Confident84.7Confident37 Ų3753.6 Ų53.626%0.25927%0.274SS..Hα-helixtrans-63-44.2175.3-580000111L474 S475 F476 S481 R482L474-S478 WeakPolarHBondContact O-CB 3.22Å; L474-S478 PolarHBondContact O-N 3.34Å; L474-S478 PolarHBondContact O-OG 3.2Å; S475-S478 WeakPolarHBondContact O-CB 3.46Å; S475-S478 PolarHBondContact O-N 2.9Å; F476-S478 VanDerWaalsContact C-N 3.27Å; F476-S478 PolarHBondContact O-N 3.48Å; S478-S481 WeakPolarHBondContact O-CB 3.5Å; S478-S481 PolarHBondContact O-N 2.86Å; S478-R482 WeakPolarHBondContact O-CG 3.49Å; S478-R482 PolarHBondContact O-N 3.41Å
479F86Confident85.8Confident111 Ų11145.1 Ų45.149%0.48724%0.235SC..Hα-helixtrans-59.4-47.5175.3178.3-104.3000112.8S475 F476 S481 R482 I483S475-F479 PolarHBondContact O-N 3.14Å; F476-F479 HydrophobicContact CD2-CD1 4.46Å; F476-F479 HydrophobicContact CE2-CD1 4.39Å; F476-F479 WeakPolarHBondContact O-CB 3.3Å; F476-F479 PolarHBondContact O-N 3.41Å; F476-F479 VanDerWaalsContact O-N 3.15Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 3.01Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 3.3Å; F479-R482 VanDerWaalsContact O-N 3.09Å; F479-I483 HydrophobicContact CD1-CD1 3.94Å; F479-I483 HydrophobicContact CE1-CD1 3.37Å; F479-I483 HydrophobicContact CE1-CG1 4.31Å; F479-I483 HydrophobicContact CE2-CD1 4.42Å; F479-I483 HydrophobicContact CZ-CD1 3.65Å; F479-I483 HydrophobicContact CZ-CG1 4.29Å; F479-I483 PolarHBondContact O-N 3.22Å
480I89.9Confident86.5Confident22 Ų2239.6 Ų39.611%0.11322%0.216CC..Hα-helixtrans-55.6-45.5174-74.6174.4000111L312 F316 F476 A477 R482 I483 G484L312-I480 HydrophobicContact CB-CD1 4.18Å; L312-I480 HydrophobicContact CD1-CD1 4.49Å; L312-I480 HydrophobicContact CD2-CD1 4.21Å; F316-I480 HydrophobicContact CB-CG2 3.55Å; F316-I480 HydrophobicContact CD2-CG2 3.71Å; F316-I480 HydrophobicContact CG-CG2 4.07Å; F476-I480 HydrophobicContact CD1-CD1 3.67Å; F476-I480 HydrophobicContact CD1-CG1 4.35Å; F476-I480 HydrophobicContact CE1-CD1 3.27Å; F476-I480 HydrophobicContact CE1-CG1 4.04Å; F476-I480 HydrophobicContact CZ-CD1 3.82Å; F476-I480 HydrophobicContact CZ-CG1 4.16Å; F476-I480 PolarHBondContact O-N 3.1Å; A477-I480 PolarHBondContact O-N 3.33Å; I480-R482 VanDerWaalsContact C-N 3.25Å; I480-R482 PolarHBondContact O-N 2.89Å; I480-I483 PolarHBondContact O-N 2.98Å; I480-G484 PolarHBondContact O-N 3.09Å
481S89.8Confident87.2Confident11 Ų1137.7 Ų37.78%0.07722%0.215CC..Hα-helixtrans-62.3-36.1179.7-51.20000111.8L315 S319 A477 S478 F479 G484 L485L315-S481 WeakPolarHBondContact CD1-OG 2.92Å; L315-S481 WeakPolarHBondContact CD2-OG 3.17Å; L315-S481 WeakPolarHBondContact CG-OG 3.45Å; S319-S481 WeakPolarHBondContact CB-O 3.38Å; S319-S481 WeakPolarHBondContact OG-CA 3.41Å; S319-S481 WeakPolarHBondContact OG-CB 3.37Å; A477-S481 PolarHBondContact O-N 2.97Å; A477-S481 PolarHBondContact O-OG 3.02Å; S478-S481 WeakPolarHBondContact O-CB 3.5Å; S478-S481 PolarHBondContact O-N 2.86Å; F479-S481 VanDerWaalsContact C-N 3.28Å; F479-S481 PolarHBondContact O-N 3.01Å; S481-G484 PolarHBondContact O-N 3.46Å; S481-L485 PolarHBondContact O-N 3.13Å
482R87.2Confident88.1Confident81 Ų8135.8 Ų35.831%0.30619%0.193SC..Hα-helixtrans-68.9-39.1175.8-64.1-48.5-175.3-169.64112.7L102 L163 S478 F479 I480 G484 L485 L486L102-R482 HydrophobicContact CD2-CB 4.02Å; L163-R482 VanDerWaalsContact CD2-CZ 3.45Å; S478-R482 WeakPolarHBondContact O-CG 3.49Å; S478-R482 PolarHBondContact O-N 3.41Å; F479-R482 WeakPolarHBondContact O-CB 3.44Å; F479-R482 PolarHBondContact O-N 3.3Å; F479-R482 VanDerWaalsContact O-N 3.09Å; I480-R482 VanDerWaalsContact C-N 3.25Å; I480-R482 PolarHBondContact O-N 2.89Å; R482-G484 VanDerWaalsContact C-N 3.31Å; R482-L485 WeakPolarHBondContact O-CB 3.48Å; R482-L485 PolarHBondContact O-N 2.75Å; R482-L486 PolarHBondContact O-N 2.96Å
483I89.1Confident88.7Confident56 Ų5632.8 Ų32.829%0.28718%0.177SC..Hα-helixtrans-62.5-43.8172.5-64.3173.1000110F316 F479 I480 L485 L486 I487F316-I483 HydrophobicContact CE2-CB 4.33Å; F316-I483 HydrophobicContact CE2-CG2 3.9Å; F479-I483 HydrophobicContact CD1-CD1 3.94Å; F479-I483 HydrophobicContact CE1-CD1 3.37Å; F479-I483 HydrophobicContact CE1-CG1 4.31Å; F479-I483 HydrophobicContact CE2-CD1 4.42Å; F479-I483 HydrophobicContact CZ-CD1 3.65Å; F479-I483 HydrophobicContact CZ-CG1 4.29Å; F479-I483 PolarHBondContact O-N 3.22Å; I480-I483 PolarHBondContact O-N 2.98Å; I483-L485 VanDerWaalsContact C-N 3.29Å; I483-L485 PolarHBondContact O-N 3.41Å; I483-L486 WeakPolarHBondContact O-CB 3.29Å; I483-L486 PolarHBondContact O-N 2.99Å; I483-I487 HydrophobicContact CG2-CD1 4.01Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.38Å
484G91.7Very high89.1Confident0 Ų036.4 Ų36.40%020%0.196CC..Hα-helixtrans-59-41.1175.800000112.4I320 I480 S481 R482 I487 S488I320-G484 WeakPolarHBondContact CG1-O 3.01Å; I480-G484 PolarHBondContact O-N 3.09Å; S481-G484 PolarHBondContact O-N 3.46Å; R482-G484 VanDerWaalsContact C-N 3.31Å; G484-I487 PolarHBondContact O-N 3.08Å; G484-S488 WeakPolarHBondContact O-CB 3.48Å; G484-S488 PolarHBondContact O-N 3.32Å
485L88.5Confident89.5Confident31 Ų3135.9 Ų35.916%0.16220%0.195CC..Hα-helixtrans-60.8-48.9173.8-175.4153.2000111.8V98 V324 S481 R482 I483 I487 S488 V489V98-L485 HydrophobicContact CG1-CD2 4.28Å; V98-L485 HydrophobicContact CG2-CD2 4.1Å; V324-L485 HydrophobicContact CG2-CD1 3.86Å; V324-L485 HydrophobicContact CG2-CG 3.91Å; S481-L485 PolarHBondContact O-N 3.13Å; R482-L485 WeakPolarHBondContact O-CB 3.48Å; R482-L485 PolarHBondContact O-N 2.75Å; I483-L485 VanDerWaalsContact C-N 3.29Å; I483-L485 PolarHBondContact O-N 3.41Å; L485-I487 VanDerWaalsContact C-N 3.28Å; L485-I487 PolarHBondContact O-N 2.95Å; L485-S488 WeakPolarHBondContact O-CA 3.29Å; L485-S488 VanDerWaalsContact O-CB 3.31Å; L485-S488 WeakPolarHBondContact O-CB 3.36Å; L485-S488 PolarHBondContact O-N 3.21Å; L485-V489 HydrophobicContact CD2-CG1 4.18Å; L485-V489 HydrophobicContact CD2-CG2 4.19Å; L485-V489 HydrophobicContact CG-CG1 4.47Å; L485-V489 WeakPolarHBondContact O-CG2 3.4Å; L485-V489 PolarHBondContact O-N 2.84Å
486L88.9Confident90.1Very high30 Ų3032 Ų3216%0.15717%0.168CC..Hα-helixtrans-54.4-45.8177.3175.465.1000111.2F95 V98 A99 L102 R482 I483 V489 S490F95-L486 HydrophobicContact CD2-CD1 4.09Å; V98-L486 HydrophobicContact CB-CD1 3.66Å; V98-L486 HydrophobicContact CG1-CB 3.86Å; V98-L486 HydrophobicContact CG1-CD1 3.62Å; V98-L486 HydrophobicContact CG1-CG 4.26Å; A99-L486 HydrophobicContact CB-CD1 4.35Å; L102-L486 HydrophobicContact CD1-CD2 4.16Å; R482-L486 PolarHBondContact O-N 2.96Å; I483-L486 WeakPolarHBondContact O-CB 3.29Å; I483-L486 PolarHBondContact O-N 2.99Å; L486-V489 PolarHBondContact O-N 3.29Å; L486-S490 WeakPolarHBondContact O-CB 3.25Å; L486-S490 PolarHBondContact O-N 2.85Å; L486-S490 VanDerWaalsContact O-N 3.08Å; L486-S490 PolarHBondContact O-OG 3.45Å
487I91.4Very high90.4Very high60 Ų6030.7 Ų30.731%0.30816%0.163SC..Hα-helixtrans-63.7-44176.4-63.6166.2000110.7F316 I320 I483 G484 L485 V489 A491F316-I487 HydrophobicContact CE2-CD1 4.08Å; F316-I487 HydrophobicContact CZ-CD1 3.69Å; I320-I487 HydrophobicContact CD1-CB 4.48Å; I320-I487 HydrophobicContact CD1-CD1 4.13Å; I320-I487 HydrophobicContact CD1-CG2 4.26Å; I320-I487 HydrophobicContact CG1-CB 4.23Å; I320-I487 HydrophobicContact CG1-CG2 4.27Å; I320-I487 HydrophobicContact CG2-CG2 4.07Å; I483-I487 HydrophobicContact CG2-CD1 4.01Å; I483-I487 WeakPolarHBondContact O-CG1 3.49Å; I483-I487 PolarHBondContact O-N 3.38Å; G484-I487 PolarHBondContact O-N 3.08Å; L485-I487 VanDerWaalsContact C-N 3.28Å; L485-I487 PolarHBondContact O-N 2.95Å; I487-V489 PolarHBondContact O-N 2.93Å; I487-A491 HydrophobicContact CG2-CB 4.02Å; I487-A491 WeakPolarHBondContact O-CA 3.38Å; I487-A491 WeakPolarHBondContact O-CB 3.29Å; I487-A491 PolarHBondContact O-N 3.48Å
488S91.9Very high90.6Very high0 Ų033.8 Ų33.80%019%0.189CC..Hα-helixtrans-57.9-45.8178.6-177.50000112.7I320 S326 G484 L485 L492I320-S488 VanDerWaalsContact O-CB 3.3Å; I320-S488 WeakPolarHBondContact O-CB 3.18Å; I320-S488 PolarHBondContact O-OG 2.67Å; I320-S488 VanDerWaalsContact O-OG 3.08Å; S326-S488 PolarHBondContact OG-O 3.43Å; G484-S488 WeakPolarHBondContact O-CB 3.48Å; G484-S488 PolarHBondContact O-N 3.32Å; L485-S488 WeakPolarHBondContact O-CA 3.29Å; L485-S488 VanDerWaalsContact O-CB 3.31Å; L485-S488 WeakPolarHBondContact O-CB 3.36Å; L485-S488 PolarHBondContact O-N 3.21Å; S488-L492 WeakPolarHBondContact O-CB 3.42Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å
489V90Very high91Very high10 Ų1032.7 Ų32.76%0.06118%0.181CC..Hα-helixtrans-84.7-21.9-172-59.90000113.1N94 V98 V324 L485 L486 I487 P493N94-V489 HydrophobicContact CB-CB 3.77Å; N94-V489 HydrophobicContact CB-CG2 3.71Å; N94-V489 WeakPolarHBondContact CB-O 3.41Å; N94-V489 PolarHBondContact ND2-O 3.44Å; V98-V489 HydrophobicContact CG2-CG2 4.05Å; V324-V489 HydrophobicContact CB-CG1 4.28Å; V324-V489 HydrophobicContact CG1-CG1 3.82Å; L485-V489 HydrophobicContact CD2-CG1 4.18Å; L485-V489 HydrophobicContact CD2-CG2 4.19Å; L485-V489 HydrophobicContact CG-CG1 4.47Å; L485-V489 WeakPolarHBondContact O-CG2 3.4Å; L485-V489 PolarHBondContact O-N 2.84Å; L486-V489 PolarHBondContact O-N 3.29Å; I487-V489 PolarHBondContact O-N 2.93Å; V489-P493 WeakPolarHBondContact O-CG 3.39Å
490S90.3Very high91.2Very high11 Ų1127.7 Ų27.78%0.07716%0.159CC..Hα-helixtrans-101.6-50.4178.8-55.60000112.6S91 F95 L486S91-S490 WeakPolarHBondContact CB-O 3.5Å; S91-S490 PolarHBondContact OG-O 3.45Å; F95-S490 WeakPolarHBondContact CA-OG 3.48Å; F95-S490 WeakPolarHBondContact CB-OG 3.21Å; F95-S490 PolarHBondContact N-OG 3.39Å; L486-S490 WeakPolarHBondContact O-CB 3.25Å; L486-S490 PolarHBondContact O-N 2.85Å; L486-S490 VanDerWaalsContact O-N 3.08Å; L486-S490 PolarHBondContact O-OG 3.45Å
491A92.5Very high91Very high38 Ų3830.9 Ų30.931%0.31418%0.183SC..Hα-helixtrans-77.5-39.5-173.200000113.1I487 L494 V495I487-A491 HydrophobicContact CG2-CB 4.02Å; I487-A491 WeakPolarHBondContact O-CA 3.38Å; I487-A491 WeakPolarHBondContact O-CB 3.29Å; I487-A491 PolarHBondContact O-N 3.48Å; A491-L494 WeakPolarHBondContact O-CB 2.95Å; A491-L494 PolarHBondContact O-N 3.42Å; A491-L494 VanDerWaalsContact O-N 3.09Å; A491-V495 WeakPolarHBondContact O-CG2 3.4Å; A491-V495 PolarHBondContact O-N 3.14Å
492L92.8Very high91Very high10 Ų1038 Ų385%0.05221%0.209CC..Hα-helixtrans-64.1-41-176.3-61.4178.5000113.7F328 S488 L494 V495 Y496 V507F328-L492 HydrophobicContact CD1-CB 4.08Å; F328-L492 HydrophobicContact CE1-CB 3.68Å; F328-L492 HydrophobicContact CE1-CD1 4.13Å; S488-L492 WeakPolarHBondContact O-CB 3.42Å; S488-L492 WeakPolarHBondContact O-CG 3.38Å; L492-L494 VanDerWaalsContact C-N 3.27Å; L492-L494 PolarHBondContact O-N 2.78Å; L492-V495 PolarHBondContact O-N 2.86Å; L492-Y496 PolarHBondContact O-N 3Å; L492-V507 HydrophobicContact CB-CG1 3.96Å; L492-V507 HydrophobicContact CD2-CG1 4.13Å
493P92.1Very high91.3Very high0 Ų036.5 Ų36.50%021%0.205CC..Hα-helixtrans-62.3-31.4171.5-22.533.4000113.4S87 S326 F328 V489 Y496 S497S87-P493 WeakPolarHBondContact CB-O 3.37Å; S87-P493 WeakPolarHBondContact O-CB 3.32Å; S326-P493 WeakPolarHBondContact OG-CG 3.4Å; F328-P493 HydrophobicContact CB-CB 4.37Å; F328-P493 HydrophobicContact CB-CG 4.48Å; F328-P493 HydrophobicContact CD1-CG 4.26Å; V489-P493 WeakPolarHBondContact O-CG 3.39Å; P493-Y496 WeakPolarHBondContact O-CB 3.28Å; P493-Y496 PolarHBondContact O-N 3.4Å; P493-S497 WeakPolarHBondContact O-CB 3.07Å; P493-S497 PolarHBondContact O-N 3.43Å
494L92.8Very high91.3Very high79 Ų7935 Ų3541%0.41420%0.199SC..Hα-helixtrans-67.2-42.6172.8-65.4175.2000111.8L88 S91 A491 L492 Y496 S497 A498L88-L494 HydrophobicContact CD2-CD2 3.57Å; S91-L494 WeakPolarHBondContact OG-CD2 3.48Å; S91-L494 VanDerWaalsContact OG-CG 3.29Å; S91-L494 WeakPolarHBondContact OG-CG 3.38Å; A491-L494 WeakPolarHBondContact O-CB 2.95Å; A491-L494 PolarHBondContact O-N 3.42Å; A491-L494 VanDerWaalsContact O-N 3.09Å; L492-L494 VanDerWaalsContact C-N 3.27Å; L492-L494 PolarHBondContact O-N 2.78Å; L494-Y496 PolarHBondContact O-N 3.34Å; L494-S497 WeakPolarHBondContact O-CB 3.49Å; L494-S497 PolarHBondContact O-N 3.43Å; L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 3.29Å
495V93.1Very high91.3Very high46 Ų4635 Ų3528%0.27920%0.199SC..Hα-helixtrans-60.5-39.9173.5-177.70000109.7A491 L492 A498 T499 V507 V510A491-V495 WeakPolarHBondContact O-CG2 3.4Å; A491-V495 PolarHBondContact O-N 3.14Å; L492-V495 PolarHBondContact O-N 2.86Å; V495-A498 PolarHBondContact O-N 3.47Å; V495-T499 HydrophobicContact CG1-CG2 4.17Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 WeakPolarHBondContact O-CG2 3.28Å; V495-T499 PolarHBondContact O-N 3.04Å; V495-T499 PolarHBondContact O-OG1 2.93Å; V495-V507 HydrophobicContact CB-CG2 4.07Å; V495-V507 HydrophobicContact CG1-CG2 3.89Å; V495-V510 HydrophobicContact CG1-CG2 4.48Å
496Y93.5Very high91.5Very high1 Ų134 Ų340%0.00420%0.195CC..Hα-helixtrans-58-54.7174.3-172.1-108.5000110.8Q83 F328 V331 Y332 L492 P493 L494 A498 T499 L500 V507Q83-Y496 HydrophobicContact CB-CE1 4.46Å; Q83-Y496 PolarHBondContact OE1-OH 3.06Å; F328-Y496 HydrophobicContact CB-CD1 4.19Å; F328-Y496 HydrophobicContact CB-CG 4.01Å; F328-Y496 HydrophobicContact CD2-CD2 4.11Å; F328-Y496 HydrophobicContact CD2-CG 4.36Å; F328-Y496 HydrophobicContact CG-CG 4.48Å; V331-Y496 HydrophobicContact CB-CE1 4.47Å; V331-Y496 HydrophobicContact CG1-CE1 4.03Å; Y332-Y496 WeakPolarHBondContact CA-OH 3.48Å; Y332-Y496 AromaticContact CD2-CE2 3.98Å; Y332-Y496 HydrophobicContact CD2-CE2 3.98Å; L492-Y496 PolarHBondContact O-N 3Å; P493-Y496 WeakPolarHBondContact O-CB 3.28Å; P493-Y496 PolarHBondContact O-N 3.4Å; L494-Y496 PolarHBondContact O-N 3.34Å; Y496-A498 VanDerWaalsContact C-N 3.25Å; Y496-A498 PolarHBondContact O-N 3.27Å; Y496-T499 PolarHBondContact O-N 2.77Å; Y496-T499 PolarHBondContact O-OG1 3.07Å; Y496-L500 HydrophobicContact CE1-CD1 4.09Å; Y496-L500 HydrophobicContact CE1-CD2 4.28Å; Y496-L500 HydrophobicContact CE2-CD1 4.12Å; Y496-L500 VanDerWaalsContact O-CB 3.28Å; Y496-L500 WeakPolarHBondContact O-CB 3.31Å; Y496-L500 PolarHBondContact O-N 3.06Å; Y496-L500 WeakPolarHBondContact OH-CD1 3.34Å; Y496-V507 HydrophobicContact CD2-CG2 3.99Å; Y496-V507 HydrophobicContact CG-CG2 4.32Å
497S92.5Very high91.7Very high8 Ų832.6 Ų32.66%0.05619%0.188CC..Hα-helixtrans-53.7-41.1179.1-162.60000112.9K84 S87 L88 P493 L494K84-S497 WeakPolarHBondContact CG-OG 3.25Å; K84-S497 PolarHBondContact O-OG 3.44Å; K84-S497 VanDerWaalsContact O-OG 3.08Å; S87-S497 WeakPolarHBondContact OG-CB 3.39Å; S87-S497 PolarHBondContact OG-OG 3.09Å; L88-S497 WeakPolarHBondContact CG-OG 3.46Å; P493-S497 WeakPolarHBondContact O-CB 3.07Å; P493-S497 PolarHBondContact O-N 3.43Å; L494-S497 WeakPolarHBondContact O-CB 3.49Å; L494-S497 PolarHBondContact O-N 3.43Å
498A93.3Very high91.9Very high67 Ų6729.7 Ų29.755%0.55417%0.173SC*.Hα-helixtrans-78.3-27.8-177.400000114L494 V495 Y496L494-A498 WeakPolarHBondContact O-CB 3.32Å; L494-A498 PolarHBondContact O-N 3.29Å; V495-A498 PolarHBondContact O-N 3.47Å; Y496-A498 VanDerWaalsContact C-N 3.25Å; Y496-A498 PolarHBondContact O-N 3.27Å
499T93.4Very high92Very high14 Ų1433.8 Ų33.89%0.08620%0.195CC..Hα-helixtrans-102.3-14.9-174.557.50000114V495 Y496 S501 Y502 F503 A506V495-T499 HydrophobicContact CG1-CG2 4.17Å; V495-T499 WeakPolarHBondContact O-CB 3.42Å; V495-T499 WeakPolarHBondContact O-CG2 3.28Å; V495-T499 PolarHBondContact O-N 3.04Å; V495-T499 PolarHBondContact O-OG1 2.93Å; Y496-T499 PolarHBondContact O-N 2.77Å; Y496-T499 PolarHBondContact O-OG1 3.07Å; T499-S501 PolarHBondContact O-N 2.91Å; T499-S501 VanDerWaalsContact O-N 3.1Å; T499-Y502 HydrophobicContact CG2-CE2 4.46Å; T499-Y502 VanDerWaalsContact CG2-OH 3.31Å; T499-Y502 WeakPolarHBondContact CG2-OH 3.27Å; T499-Y502 PolarHBondContact O-N 3.34Å; T499-F503 CarbonylContact O-C 3.58Å; T499-F503 PolarHBondContact O-N 3.4Å; T499-A506 HydrophobicContact CG2-CB 3.85Å
500L90.6Very high92.2Very high7 Ų736.1 Ų36.14%0.03721%0.208CC..THydrogen-bonded Turntrans-52.7-36.2-174.1-179.662.9000114.5Q80 Q83 Y496 Y502 P504Q80-L500 HydrophobicContact CB-CD2 4.47Å; Q80-L500 WeakPolarHBondContact O-CD2 3.4Å; Q83-L500 HydrophobicContact CB-CD2 3.46Å; Q83-L500 VanDerWaalsContact CB-CD2 3.46Å; Q83-L500 HydrophobicContact CG-CD2 4.39Å; Y496-L500 HydrophobicContact CE1-CD1 4.09Å; Y496-L500 HydrophobicContact CE1-CD2 4.28Å; Y496-L500 HydrophobicContact CE2-CD1 4.12Å; Y496-L500 VanDerWaalsContact O-CB 3.28Å; Y496-L500 WeakPolarHBondContact O-CB 3.31Å; Y496-L500 PolarHBondContact O-N 3.06Å; Y496-L500 WeakPolarHBondContact OH-CD1 3.34Å; L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 PolarHBondContact O-N 3.25Å; L500-P504 HydrophobicContact CD1-CB 3.92Å; L500-P504 HydrophobicContact CD1-CG 4.09Å
501S86.6Confident92.5Very high88 Ų8835.6 Ų35.662%0.61521%0.205SC*.THydrogen-bonded Turntrans-65.6-33.6-174.252.40000113.5T499T499-S501 PolarHBondContact O-N 2.91Å; T499-S501 VanDerWaalsContact O-N 3.1Å
502Y89.4Confident92.6Very high161 Ų16134 Ų3463%0.63119%0.192SC*.THydrogen-bonded Turntrans-115.2-31.3-178.256.5-90.6000113.2T499 L500T499-Y502 HydrophobicContact CG2-CE2 4.46Å; T499-Y502 VanDerWaalsContact CG2-OH 3.31Å; T499-Y502 WeakPolarHBondContact CG2-OH 3.27Å; T499-Y502 PolarHBondContact O-N 3.34Å; L500-Y502 VanDerWaalsContact C-N 3.33Å; L500-Y502 PolarHBondContact O-N 3.25Å
503F92.4Very high92.8Very high50 Ų5036.5 Ų36.522%0.21921%0.21CC..  trans-148.186.1-177.6-176-162.5000112T426 Y429 T499 G505 A506 L509T426-F503 HydrophobicContact CG2-CE2 3.93Å; T426-F503 HydrophobicContact CG2-CZ 3.55Å; Y429-F503 AromaticContact CE1-CD2 3.75Å; Y429-F503 HydrophobicContact CE1-CD2 3.75Å; Y429-F503 AromaticContact CE1-CE2 3.59Å; Y429-F503 HydrophobicContact CE1-CE2 3.59Å; Y429-F503 AromaticContact CZ-CD2 3.68Å; Y429-F503 AromaticContact CZ-CE2 3.95Å; Y429-F503 WeakPolarHBondContact OH-CD2 3.44Å; T499-F503 CarbonylContact O-C 3.58Å; T499-F503 PolarHBondContact O-N 3.4Å; F503-G505 PolarHBondContact O-N 3.46Å; F503-G505 VanDerWaalsContact O-N 3.13Å; F503-A506 HydrophobicContact CB-CB 4.13Å; F503-A506 HydrophobicContact CD1-CB 3.43Å; F503-A506 VanDerWaalsContact CD1-CB 3.43Å; F503-A506 HydrophobicContact CE1-CB 3.93Å; F503-A506 HydrophobicContact CG-CB 3.79Å; F503-A506 WeakPolarHBondContact O-CB 3.48Å; F503-A506 PolarHBondContact O-N 2.93Å; F503-L509 HydrophobicContact CE1-CB 4.39Å; F503-L509 HydrophobicContact CE1-CD2 3.73Å; F503-L509 HydrophobicContact CZ-CB 4.39Å; F503-L509 HydrophobicContact CZ-CD2 4.14Å
504P89.1Confident92.9Very high24 Ų2438.5 Ų38.516%0.15622%0.22CC..THydrogen-bonded Turntrans-56.3-30.6177.4-24.332.6000113.8Y332 Y429 L500 A506Y332-P504 HydrophobicContact CD2-CB 4.43Å; Y332-P504 HydrophobicContact CE2-CB 4.13Å; Y429-P504 HydrophobicContact CD2-CG 4.12Å; Y429-P504 HydrophobicContact CE2-CG 4.38Å; L500-P504 HydrophobicContact CD1-CB 3.92Å; L500-P504 HydrophobicContact CD1-CG 4.09Å; P504-A506 VanDerWaalsContact C-N 3.31Å; P504-A506 PolarHBondContact O-N 3.27Å
505G91.8Very high93.1Very high0 Ų034.8 Ų34.80%020%0.2CC..THydrogen-bonded Turntrans-78.3-4178.200000115.5T426 F503 V507 F508 L509T426-G505 PolarHBondContact OG1-O 3.46Å; F503-G505 PolarHBondContact O-N 3.46Å; F503-G505 VanDerWaalsContact O-N 3.13Å; G505-V507 VanDerWaalsContact C-N 3.33Å; G505-V507 PolarHBondContact O-N 3.2Å; G505-F508 PolarHBondContact O-N 3.37Å; G505-L509 PolarHBondContact O-N 3.14Å
506A93.6Very high93.2Very high10 Ų1038.4 Ų38.48%0.08321%0.213CC..Hα-helixtrans-60.7-38.3-171.600000113.4T499 F503 P504 F508 L509 V510T499-A506 HydrophobicContact CG2-CB 3.85Å; F503-A506 HydrophobicContact CB-CB 4.13Å; F503-A506 HydrophobicContact CD1-CB 3.43Å; F503-A506 VanDerWaalsContact CD1-CB 3.43Å; F503-A506 HydrophobicContact CE1-CB 3.93Å; F503-A506 HydrophobicContact CG-CB 3.79Å; F503-A506 WeakPolarHBondContact O-CB 3.48Å; F503-A506 PolarHBondContact O-N 2.93Å; P504-A506 VanDerWaalsContact C-N 3.31Å; P504-A506 PolarHBondContact O-N 3.27Å; A506-F508 VanDerWaalsContact C-N 3.31Å; A506-F508 PolarHBondContact O-N 3.07Å; A506-L509 WeakPolarHBondContact O-CA 3.28Å; A506-L509 WeakPolarHBondContact O-CB 3.42Å; A506-L509 PolarHBondContact O-N 3.24Å; A506-V510 WeakPolarHBondContact O-CG2 3.42Å; A506-V510 PolarHBondContact O-N 3.45Å
507V93Very high93.4Very high0 Ų042.2 Ų42.20%024%0.236CC..Hα-helixtrans-63.1-40.6180-176.10000111.7F328 L492 V495 Y496 G505 L509 V510 C511F328-V507 HydrophobicContact CD1-CG1 4.43Å; F328-V507 HydrophobicContact CD2-CG1 4.34Å; F328-V507 HydrophobicContact CE1-CG1 3.82Å; F328-V507 HydrophobicContact CE2-CB 4.13Å; F328-V507 HydrophobicContact CE2-CG1 3.72Å; F328-V507 HydrophobicContact CZ-CB 4.33Å; F328-V507 HydrophobicContact CZ-CG1 3.45Å; F328-V507 VanDerWaalsContact CZ-CG1 3.45Å; L492-V507 HydrophobicContact CB-CG1 3.96Å; L492-V507 HydrophobicContact CD2-CG1 4.13Å; V495-V507 HydrophobicContact CB-CG2 4.07Å; V495-V507 HydrophobicContact CG1-CG2 3.89Å; Y496-V507 HydrophobicContact CD2-CG2 3.99Å; Y496-V507 HydrophobicContact CG-CG2 4.32Å; G505-V507 VanDerWaalsContact C-N 3.33Å; G505-V507 PolarHBondContact O-N 3.2Å; V507-L509 VanDerWaalsContact C-N 3.27Å; V507-L509 PolarHBondContact O-N 3.4Å; V507-V510 PolarHBondContact O-N 2.68Å; V507-C511 PolarHBondContact O-N 3.03Å; V507-C511 PolarHBondContact O-SG 3.48Å
508F94.8Very high93.5Very high0 Ų041.8 Ų41.80%023%0.233CC..Hα-helixtrans-66.1-34.6175.3-60-70.7000111F328 V329 Y332 M425 T426 G505 A506 C511 A512F328-F508 HydrophobicContact CD2-CZ 4.25Å; F328-F508 HydrophobicContact CE2-CD1 4.15Å; F328-F508 AromaticContact CE2-CE1 3.57Å; F328-F508 HydrophobicContact CE2-CE1 3.57Å; F328-F508 HydrophobicContact CE2-CE2 4.13Å; F328-F508 AromaticContact CE2-CZ 3.55Å; F328-F508 HydrophobicContact CE2-CZ 3.55Å; F328-F508 HydrophobicContact CZ-CD1 4.46Å; F328-F508 HydrophobicContact CZ-CE1 4.1Å; V329-F508 HydrophobicContact CG2-CE1 3.85Å; V329-F508 HydrophobicContact CG2-CZ 4.09Å; Y332-F508 AromaticContact CD1-CE2 3.75Å; Y332-F508 HydrophobicContact CD1-CE2 3.75Å; Y332-F508 AromaticContact CD1-CZ 3.9Å; Y332-F508 HydrophobicContact CD1-CZ 3.9Å; Y332-F508 AromaticContact CD2-CE2 3.88Å; Y332-F508 HydrophobicContact CD2-CE2 3.88Å; Y332-F508 AromaticContact CE1-CE2 3.83Å; Y332-F508 HydrophobicContact CE1-CE2 3.83Å; Y332-F508 HydrophobicContact CE1-CZ 4.27Å; Y332-F508 AromaticContact CE2-CE2 3.93Å; Y332-F508 HydrophobicContact CE2-CE2 3.93Å; Y332-F508 AromaticContact CG-CE2 3.77Å; Y332-F508 HydrophobicContact CG-CE2 3.77Å; Y332-F508 HydrophobicContact CG-CZ 4.1Å; Y332-F508 AromaticContact CZ-CE2 3.9Å; M425-F508 HydrophobicContact CB-CB 4.21Å; M425-F508 HydrophobicContact CB-CD1 3.66Å; M425-F508 HydrophobicContact CB-CD2 4.04Å; M425-F508 HydrophobicContact CB-CE1 3.92Å; M425-F508 HydrophobicContact CB-CE2 4.3Å; M425-F508 HydrophobicContact CB-CG 3.71Å; M425-F508 HydrophobicContact CB-CZ 4.23Å; M425-F508 HydrophobicContact CE-CE1 4.09Å; M425-F508 HydrophobicContact CE-CE2 4.28Å; M425-F508 HydrophobicContact CE-CZ 3.74Å; M425-F508 HydrophobicContact CG-CD1 4.37Å; M425-F508 HydrophobicContact CG-CE1 4.3Å; T426-F508 VanDerWaalsContact OG1-CB 3.23Å; T426-F508 WeakPolarHBondContact OG1-CB 3.23Å; G505-F508 PolarHBondContact O-N 3.37Å; A506-F508 VanDerWaalsContact C-N 3.31Å; A506-F508 PolarHBondContact O-N 3.07Å; F508-C511 PolarHBondContact O-N 2.84Å; F508-A512 WeakPolarHBondContact O-CB 3.45Å; F508-A512 PolarHBondContact O-N 2.92Å
509L94.9Very high93.7Very high86 Ų8639.2 Ų39.245%0.4521%0.21SC..Hα-helixtrans-67.3-39.6175-173.465.2000111.8T426 F503 G505 A506 V507 C511 A512 S513T426-L509 HydrophobicContact CG2-CB 4.01Å; T426-L509 HydrophobicContact CG2-CD1 4.43Å; T426-L509 PolarHBondContact OG1-N 3.31Å; T426-L509 VanDerWaalsContact OG1-N 3.12Å; F503-L509 HydrophobicContact CE1-CB 4.39Å; F503-L509 HydrophobicContact CE1-CD2 3.73Å; F503-L509 HydrophobicContact CZ-CB 4.39Å; F503-L509 HydrophobicContact CZ-CD2 4.14Å; G505-L509 PolarHBondContact O-N 3.14Å; A506-L509 WeakPolarHBondContact O-CA 3.28Å; A506-L509 WeakPolarHBondContact O-CB 3.42Å; A506-L509 PolarHBondContact O-N 3.24Å; V507-L509 VanDerWaalsContact C-N 3.27Å; V507-L509 PolarHBondContact O-N 3.4Å; L509-C511 VanDerWaalsContact C-N 3.33Å; L509-A512 WeakPolarHBondContact O-CB 3.26Å; L509-A512 PolarHBondContact O-N 3.18Å; L509-S513 PolarHBondContact O-N 3.1Å
510V94.8Very high93.8Very high58 Ų5841.4 Ų41.435%0.35223%0.225SC..Hα-helixtrans-61.1-43.4172.1173.50000110.5V495 A506 V507 A512 S513 M514V495-V510 HydrophobicContact CG1-CG2 4.48Å; A506-V510 WeakPolarHBondContact O-CG2 3.42Å; A506-V510 PolarHBondContact O-N 3.45Å; V507-V510 PolarHBondContact O-N 2.68Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.02Å; V510-S513 PolarHBondContact O-N 3.36Å; V510-S513 PolarHBondContact O-OG 2.94Å; V510-M514 VanDerWaalsContact O-CG 3.31Å; V510-M514 WeakPolarHBondContact O-CG 3.42Å; V510-M514 PolarHBondContact O-N 2.9Å; V510-M514 VanDerWaalsContact O-N 3.12Å
511C94.8Very high93.9Very high0 Ų042.4 Ų42.40%024%0.235CC..Hα-helixtrans-64.4-38.8174.8-63.90000111.9R422 V507 F508 L509 M514 L515R422-C511 HydrophobicContact CG-CB 4.07Å; V507-C511 PolarHBondContact O-N 3.03Å; V507-C511 PolarHBondContact O-SG 3.48Å; F508-C511 PolarHBondContact O-N 2.84Å; L509-C511 VanDerWaalsContact C-N 3.33Å; C511-M514 PolarHBondContact O-N 2.82Å; C511-L515 WeakPolarHBondContact O-CG 3.09Å; C511-L515 PolarHBondContact O-N 3.27Å
512A95.5Very high94.2Very high5 Ų538.2 Ų38.24%0.04121%0.205CC..Hα-helixtrans-65.4-42.2177.700000111.9L419 R422 I423 F508 L509 V510 M514 L515 F516L419-A512 HydrophobicContact CD1-CB 3.8Å; L419-A512 WeakPolarHBondContact CD1-O 3.34Å; R422-A512 HydrophobicContact CB-CB 3.96Å; I423-A512 HydrophobicContact CG1-CB 4.27Å; F508-A512 WeakPolarHBondContact O-CB 3.45Å; F508-A512 PolarHBondContact O-N 2.92Å; L509-A512 WeakPolarHBondContact O-CB 3.26Å; L509-A512 PolarHBondContact O-N 3.18Å; V510-A512 VanDerWaalsContact C-N 3.33Å; V510-A512 PolarHBondContact O-N 3.02Å; A512-M514 VanDerWaalsContact C-N 3.34Å; A512-M514 PolarHBondContact O-N 3.23Å; A512-L515 PolarHBondContact O-N 2.88Å; A512-F516 WeakPolarHBondContact O-CB 3.43Å; A512-F516 PolarHBondContact O-N 2.9Å
513S96.2Very high94.4Very high63 Ų6334.3 Ų34.344%0.44119%0.194SC..Hα-helixtrans-64.8-40.2177.269.10000111.6L509 V510 F516 V517L509-S513 PolarHBondContact O-N 3.1Å; V510-S513 PolarHBondContact O-N 3.36Å; V510-S513 PolarHBondContact O-OG 2.94Å; S513-F516 WeakPolarHBondContact O-CB 3.36Å; S513-F516 PolarHBondContact O-N 3.22Å; S513-V517 WeakPolarHBondContact O-CG2 3.38Å; S513-V517 PolarHBondContact O-N 3.45Å
514M95.6Very high94.1Very high42 Ų4233.7 Ų33.721%0.20720%0.196CC..Hα-helixtrans-59.6-47.2172.1-74-173.976.400111.9I317 I320 V510 C511 A512 F516 V517 A518I317-M514 HydrophobicContact CG2-CB 3.9Å; I317-M514 HydrophobicContact CG2-CE 4.22Å; I317-M514 WeakPolarHBondContact CG2-O 3.35Å; I320-M514 HydrophobicContact CB-CE 3.68Å; I320-M514 HydrophobicContact CD1-CE 3.74Å; I320-M514 HydrophobicContact CG1-CE 4.3Å; I320-M514 HydrophobicContact CG2-CE 3.61Å; I320-M514 HydrophobicContact CG2-SD 3.89Å; V510-M514 VanDerWaalsContact O-CG 3.31Å; V510-M514 WeakPolarHBondContact O-CG 3.42Å; V510-M514 PolarHBondContact O-N 2.9Å; V510-M514 VanDerWaalsContact O-N 3.12Å; C511-M514 PolarHBondContact O-N 2.82Å; A512-M514 VanDerWaalsContact C-N 3.34Å; A512-M514 PolarHBondContact O-N 3.23Å; M514-F516 VanDerWaalsContact C-N 3.33Å; M514-F516 PolarHBondContact O-N 3.38Å; M514-V517 WeakPolarHBondContact O-CB 3.44Å; M514-V517 PolarHBondContact O-N 3.16Å; M514-A518 PolarHBondContact O-N 3.39Å
515L95.5Very high93.9Very high0 Ų032.9 Ų32.90%019%0.19CC..Hα-helixtrans-62.9-38.7176.6-75.8171.9000112.8A322 L415 M418 L419 R422 C511 A512 V517 A518 I519A322-L515 HydrophobicContact CB-CD2 4.14Å; L415-L515 HydrophobicContact CD2-CD2 4.04Å; M418-L515 HydrophobicContact CB-CD1 3.92Å; M418-L515 HydrophobicContact CB-CD2 4.45Å; L419-L515 HydrophobicContact CB-CB 4.4Å; L419-L515 HydrophobicContact CD1-CB 4.15Å; R422-L515 HydrophobicContact CG-CD1 3.84Å; C511-L515 WeakPolarHBondContact O-CG 3.09Å; C511-L515 PolarHBondContact O-N 3.27Å; A512-L515 PolarHBondContact O-N 2.88Å; L515-V517 VanDerWaalsContact C-N 3.34Å; L515-V517 PolarHBondContact O-N 3.3Å; L515-A518 WeakPolarHBondContact O-CB 3.38Å; L515-A518 PolarHBondContact O-N 3.3Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 2.94Å
516F96.8Very high93.2Very high122 Ų12234.8 Ų34.854%0.53520%0.203SC..Hα-helixtrans-60.8-43.8174.7-176.8-102000111.5L419 A512 S513 M514 A518 I519 C520L419-F516 HydrophobicContact CD1-CB 4.49Å; L419-F516 HydrophobicContact CD2-CD2 4.44Å; A512-F516 WeakPolarHBondContact O-CB 3.43Å; A512-F516 PolarHBondContact O-N 2.9Å; S513-F516 WeakPolarHBondContact O-CB 3.36Å; S513-F516 PolarHBondContact O-N 3.22Å; M514-F516 VanDerWaalsContact C-N 3.33Å; M514-F516 PolarHBondContact O-N 3.38Å; F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 3.08Å; F516-I519 PolarHBondContact O-N 3.17Å; F516-C520 PolarHBondContact O-N 2.91Å; F516-C520 PolarHBondContact O-SG 2.97Å; F516-C520 VanDerWaalsContact O-SG 3.37Å
517V96.5Very high92.5Very high81 Ų8141.4 Ų41.449%0.49123%0.23SC..Hα-helixtrans-60.3-42.3173.6173.50000111.4I317 S513 M514 L515 I519 C520 A521I317-V517 HydrophobicContact CD1-CG1 4.09Å; S513-V517 WeakPolarHBondContact O-CG2 3.38Å; S513-V517 PolarHBondContact O-N 3.45Å; M514-V517 WeakPolarHBondContact O-CB 3.44Å; M514-V517 PolarHBondContact O-N 3.16Å; L515-V517 VanDerWaalsContact C-N 3.34Å; L515-V517 PolarHBondContact O-N 3.3Å; V517-I519 VanDerWaalsContact C-N 3.34Å; V517-I519 PolarHBondContact O-N 3.41Å; V517-C520 PolarHBondContact O-N 2.97Å; V517-A521 WeakPolarHBondContact O-CB 3.44Å; V517-A521 PolarHBondContact O-N 3.44Å
518A95.6Very high91.8Very high0 Ų044.7 Ų44.70%025%0.247CC..Hα-helixtrans-63.1-38.4175.700000112.7I314 I317 L415 M514 L515 F516 A521 A522I314-A518 HydrophobicContact CG2-CB 4.29Å; I317-A518 HydrophobicContact CB-CB 4.41Å; I317-A518 HydrophobicContact CG2-CB 3.89Å; L415-A518 HydrophobicContact CD1-CB 4.24Å; M514-A518 PolarHBondContact O-N 3.39Å; L515-A518 WeakPolarHBondContact O-CB 3.38Å; L515-A518 PolarHBondContact O-N 3.3Å; F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 3.08Å; A518-A521 PolarHBondContact O-N 2.91Å; A518-A522 WeakPolarHBondContact O-CB 3.39Å; A518-A522 PolarHBondContact O-N 2.94Å
519I96Very high90.9Very high13 Ų1345 Ų457%0.06725%0.249CC..Hα-helixtrans-65.6-46.9175.5-69.5162.7000110.4I412 L415 L419 L515 F516 V517 A521 A522 I523I412-I519 HydrophobicContact CG2-CG2 4.47Å; L415-I519 HydrophobicContact CB-CD1 4.11Å; L415-I519 HydrophobicContact CB-CG1 3.58Å; L415-I519 HydrophobicContact CD1-CG1 4.23Å; L419-I519 HydrophobicContact CB-CD1 4.06Å; L419-I519 HydrophobicContact CD2-CD1 3.78Å; L419-I519 HydrophobicContact CG-CD1 4.49Å; L515-I519 VanDerWaalsContact O-CG1 3.31Å; L515-I519 WeakPolarHBondContact O-CG1 3.41Å; L515-I519 PolarHBondContact O-N 2.94Å; F516-I519 PolarHBondContact O-N 3.17Å; V517-I519 VanDerWaalsContact C-N 3.34Å; V517-I519 PolarHBondContact O-N 3.41Å; I519-A521 VanDerWaalsContact C-N 3.3Å; I519-A521 PolarHBondContact O-N 3.46Å; I519-A522 PolarHBondContact O-N 2.99Å; I519-A522 VanDerWaalsContact O-N 3.1Å; I519-I523 HydrophobicContact CG2-CD1 3.61Å; I519-I523 HydrophobicContact CG2-CG1 4.25Å; I519-I523 WeakPolarHBondContact O-CG1 3.22Å; I519-I523 PolarHBondContact O-N 2.79Å
520C95.6Very high90Very high60 Ų6047.4 Ų47.441%0.40526%0.256SS..Hα-helixtrans-58-43.3175.4-70.60000111.6F516 V517 A522 I523 S524F516-C520 PolarHBondContact O-N 2.91Å; F516-C520 PolarHBondContact O-SG 2.97Å; F516-C520 VanDerWaalsContact O-SG 3.37Å; V517-C520 PolarHBondContact O-N 2.97Å; C520-A522 PolarHBondContact O-N 3.26Å; C520-I523 PolarHBondContact O-N 2.95Å; C520-S524 PolarHBondContact O-N 3.06Å
521A93.5Very high88.8Confident28 Ų2850.8 Ų50.823%0.23126%0.263CS..Hα-helixtrans-61.7-42.2174.400000111.9I310 I314 V517 A518 I519 S524I310-A521 HydrophobicContact CG2-CB 4.15Å; I314-A521 HydrophobicContact CD1-CB 4.11Å; I314-A521 HydrophobicContact CG1-CB 3.94Å; V517-A521 WeakPolarHBondContact O-CB 3.44Å; V517-A521 PolarHBondContact O-N 3.44Å; A518-A521 PolarHBondContact O-N 2.91Å; I519-A521 VanDerWaalsContact C-N 3.3Å; I519-A521 PolarHBondContact O-N 3.46Å; A521-S524 PolarHBondContact O-N 3.49Å; A521-S524 PolarHBondContact O-OG 3.4Å
522A93Very high87.7Confident0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-67.6-38.917700000112.9I314 F408 I412 A518 I519 C520 S524 F525I314-A522 HydrophobicContact CD1-CB 4.1Å; F408-A522 HydrophobicContact CD1-CB 4.45Å; I412-A522 HydrophobicContact CD1-CB 4.3Å; I412-A522 HydrophobicContact CG1-CB 3.67Å; A518-A522 WeakPolarHBondContact O-CB 3.39Å; A518-A522 PolarHBondContact O-N 2.94Å; I519-A522 PolarHBondContact O-N 2.99Å; I519-A522 VanDerWaalsContact O-N 3.1Å; C520-A522 PolarHBondContact O-N 3.26Å; A522-S524 VanDerWaalsContact C-N 3.27Å; A522-S524 PolarHBondContact O-N 3.42Å; A522-F525 VanDerWaalsContact O-CB 3.28Å; A522-F525 WeakPolarHBondContact O-CB 3.48Å; A522-F525 PolarHBondContact O-N 3.23Å
523I92.4Very high86.2Confident78 Ų7857.5 Ų57.540%0.429%0.294SS..Hα-helixtrans-67-28.2176.4-68.7168.4000111.5I412 I519 C520 F525 P526 F527I412-I523 HydrophobicContact CD1-CG1 3.81Å; I412-I523 HydrophobicContact CG1-CG1 4.29Å; I519-I523 HydrophobicContact CG2-CD1 3.61Å; I519-I523 HydrophobicContact CG2-CG1 4.25Å; I519-I523 WeakPolarHBondContact O-CG1 3.22Å; I519-I523 PolarHBondContact O-N 2.79Å; C520-I523 PolarHBondContact O-N 2.95Å; I523-F525 PolarHBondContact O-N 3.2Å; I523-P526 WeakPolarHBondContact O-CD 3.43Å; I523-F527 HydrophobicContact CG2-CE2 4.28Å; I523-F527 WeakPolarHBondContact O-CD2 3.34Å
524S88.1Confident84.3Confident38 Ų3859 Ų5927%0.26630%0.296SS..Hα-helixtrans-65.4-18.3176.379.30000113.5C520 A521 A522 F527 L528C520-S524 PolarHBondContact O-N 3.06Å; A521-S524 PolarHBondContact O-N 3.49Å; A521-S524 PolarHBondContact O-OG 3.4Å; A522-S524 VanDerWaalsContact C-N 3.27Å; A522-S524 PolarHBondContact O-N 3.42Å; S524-F527 WeakPolarHBondContact O-CB 3.4Å; S524-F527 PolarHBondContact O-N 2.93Å; S524-L528 WeakPolarHBondContact O-CG 3.48Å; S524-L528 PolarHBondContact O-N 2.91Å
525F83.7Confident82.3Confident6 Ų662.4 Ų62.43%0.02631%0.31CS..Hα-helixtrans-61.3-53.6-173170.3-94.7000114.6I307 Q404 F408 W464 A522 I523 F527 L528 V529I307-F525 HydrophobicContact CD1-CE2 4.44Å; I307-F525 HydrophobicContact CG2-CD2 3.91Å; I307-F525 HydrophobicContact CG2-CE2 3.82Å; Q404-F525 HydrophobicContact CB-CE1 4.23Å; Q404-F525 HydrophobicContact CB-CZ 4Å; F408-F525 HydrophobicContact CB-CD1 4.06Å; F408-F525 HydrophobicContact CD1-CB 3.74Å; F408-F525 AromaticContact CD1-CD1 4Å; F408-F525 HydrophobicContact CD1-CD1 4Å; F408-F525 HydrophobicContact CD1-CD2 4.42Å; F408-F525 AromaticContact CD1-CG 3.8Å; F408-F525 HydrophobicContact CD1-CG 3.8Å; F408-F525 HydrophobicContact CD2-CB 4.47Å; F408-F525 AromaticContact CD2-CD1 3.29Å; F408-F525 HydrophobicContact CD2-CD1 3.29Å; F408-F525 AromaticContact CD2-CD2 3.94Å; F408-F525 HydrophobicContact CD2-CD2 3.94Å; F408-F525 AromaticContact CD2-CE1 3.28Å; F408-F525 HydrophobicContact CD2-CE1 3.28Å; F408-F525 AromaticContact CD2-CE2 3.9Å; F408-F525 HydrophobicContact CD2-CE2 3.9Å; F408-F525 AromaticContact CD2-CG 3.63Å; F408-F525 HydrophobicContact CD2-CG 3.63Å; F408-F525 AromaticContact CD2-CZ 3.58Å; F408-F525 HydrophobicContact CD2-CZ 3.58Å; F408-F525 HydrophobicContact CE1-CB 3.64Å; F408-F525 HydrophobicContact CE1-CD1 4.26Å; F408-F525 AromaticContact CE1-CD2 3.87Å; F408-F525 HydrophobicContact CE1-CD2 3.87Å; F408-F525 AromaticContact CE1-CG 3.66Å; F408-F525 HydrophobicContact CE1-CG 3.66Å; F408-F525 HydrophobicContact CE2-CB 4.37Å; F408-F525 AromaticContact CE2-CD1 3.6Å; F408-F525 HydrophobicContact CE2-CD1 3.6Å; F408-F525 AromaticContact CE2-CD2 3.29Å; F408-F525 HydrophobicContact CE2-CD2 3.29Å; F408-F525 AromaticContact CE2-CE1 3.55Å; F408-F525 HydrophobicContact CE2-CE1 3.55Å; F408-F525 AromaticContact CE2-CE2 3.21Å; F408-F525 HydrophobicContact CE2-CE2 3.21Å; F408-F525 AromaticContact CE2-CG 3.48Å; F408-F525 HydrophobicContact CE2-CG 3.48Å; F408-F525 VanDerWaalsContact CE2-CG 3.48Å; F408-F525 AromaticContact CE2-CZ 3.34Å; F408-F525 HydrophobicContact CE2-CZ 3.34Å; F408-F525 HydrophobicContact CG-CB 4.17Å; F408-F525 AromaticContact CG-CD1 3.51Å; F408-F525 HydrophobicContact CG-CD1 3.51Å; F408-F525 HydrophobicContact CG-CD2 4.45Å; F408-F525 AromaticContact CG-CE1 3.97Å; F408-F525 HydrophobicContact CG-CE1 3.97Å; F408-F525 AromaticContact CG-CG 3.79Å; F408-F525 HydrophobicContact CG-CG 3.79Å; F408-F525 HydrophobicContact CZ-CB 3.97Å; F408-F525 HydrophobicContact CZ-CD1 4.08Å; F408-F525 AromaticContact CZ-CD2 3.25Å; F408-F525 HydrophobicContact CZ-CD2 3.25Å; F408-F525 HydrophobicContact CZ-CE1 4.42Å; F408-F525 AromaticContact CZ-CE2 3.63Å; F408-F525 HydrophobicContact CZ-CE2 3.63Å; F408-F525 AromaticContact CZ-CG 3.49Å; F408-F525 HydrophobicContact CZ-CG 3.49Å; F408-F525 VanDerWaalsContact CZ-CG 3.49Å; F408-F525 HydrophobicContact CZ-CZ 4.2Å; W464-F525 AromaticContact CE2-CE2 3.79Å; W464-F525 HydrophobicContact CH2-CE2 4.28Å; W464-F525 AromaticContact CZ2-CE2 3.38Å; W464-F525 HydrophobicContact CZ2-CE2 3.38Å; W464-F525 AromaticContact CZ2-CZ 3.67Å; W464-F525 HydrophobicContact CZ2-CZ 3.67Å; W464-F525 AromaticContact NE1-CE2 3.88Å; A522-F525 VanDerWaalsContact O-CB 3.28Å; A522-F525 WeakPolarHBondContact O-CB 3.48Å; A522-F525 PolarHBondContact O-N 3.23Å; I523-F525 PolarHBondContact O-N 3.2Å; F525-F527 PolarHBondContact O-N 3.24Å; F525-L528 PolarHBondContact O-N 2.92Å; F525-L528 VanDerWaalsContact O-N 3.12Å; F525-V529 HydrophobicContact CD1-CG2 4.44Å; F525-V529 HydrophobicContact CD2-CG2 3.9Å; F525-V529 HydrophobicContact CE1-CG2 4Å; F525-V529 HydrophobicContact CE2-CG2 3.42Å; F525-V529 VanDerWaalsContact CE2-CG2 3.42Å; F525-V529 HydrophobicContact CG-CG2 4.4Å; F525-V529 HydrophobicContact CZ-CG2 3.48Å; F525-V529 VanDerWaalsContact CZ-CG2 3.48Å; F525-V529 PolarHBondContact O-N 3.07Å
526P76.8Confident80.3Confident41 Ų4167.5 Ų67.527%0.26634%0.337SS..Hα-helixtrans-57.9-33179.3-24.335.9000112.5I523 K530I523-P526 WeakPolarHBondContact O-CD 3.43Å; P526-K530 VanDerWaalsContact O-CB 3.23Å; P526-K530 WeakPolarHBondContact O-CB 3.23Å; P526-K530 PolarHBondContact O-N 3.43Å
527F80Confident78.1Confident148 Ų14867.8 Ų67.865%0.64935%0.348SS*.Hα-helixtrans-68.8-45.9176.4-62.5-78.8000111.9I523 S524 F525 K530 Y531I523-F527 HydrophobicContact CG2-CE2 4.28Å; I523-F527 WeakPolarHBondContact O-CD2 3.34Å; S524-F527 WeakPolarHBondContact O-CB 3.4Å; S524-F527 PolarHBondContact O-N 2.93Å; F525-F527 PolarHBondContact O-N 3.24Å; F527-K530 PolarHBondContact O-N 3.48Å; F527-Y531 WeakPolarHBondContact O-CB 3.35Å; F527-Y531 PolarHBondContact O-N 2.89Å
528L78.7Confident75.4Confident69 Ų6974.7 Ų74.736%0.36137%0.365SS..Hα-helixtrans-64.2-41.4178.6-72.3171.8000112.5I310 S524 F525 Y531 K532I310-L528 HydrophobicContact CD1-CD1 3.45Å; I310-L528 VanDerWaalsContact CD1-CD1 3.45Å; S524-L528 WeakPolarHBondContact O-CG 3.48Å; S524-L528 PolarHBondContact O-N 2.91Å; F525-L528 PolarHBondContact O-N 2.92Å; F525-L528 VanDerWaalsContact O-N 3.12Å; L528-Y531 PolarHBondContact O-N 3.13Å; L528-K532 PolarHBondContact O-N 2.89Å
529V76Confident72.9Confident7 Ų783.1 Ų83.14%0.04242%0.416CS..Hα-helixtrans-70.4-42.4178.1-177.10000111.2I307 F401 W464 F525 Y531 K532 N533I307-V529 HydrophobicContact CD1-CG2 3.84Å; F401-V529 HydrophobicContact CD2-CG1 3.67Å; F401-V529 HydrophobicContact CE2-CB 3.91Å; F401-V529 HydrophobicContact CE2-CG1 3.39Å; W464-V529 HydrophobicContact CH2-CG2 4.1Å; W464-V529 HydrophobicContact CZ2-CG2 4.14Å; F525-V529 HydrophobicContact CD1-CG2 4.44Å; F525-V529 HydrophobicContact CD2-CG2 3.9Å; F525-V529 HydrophobicContact CE1-CG2 4Å; F525-V529 HydrophobicContact CE2-CG2 3.42Å; F525-V529 VanDerWaalsContact CE2-CG2 3.42Å; F525-V529 HydrophobicContact CG-CG2 4.4Å; F525-V529 HydrophobicContact CZ-CG2 3.48Å; F525-V529 VanDerWaalsContact CZ-CG2 3.48Å; F525-V529 PolarHBondContact O-N 3.07Å; V529-Y531 VanDerWaalsContact C-N 3.26Å; V529-Y531 PolarHBondContact O-N 3.08Å; V529-K532 PolarHBondContact O-N 3.4Å; V529-N533 WeakPolarHBondContact O-CB 3.48Å; V529-N533 PolarHBondContact O-N 3.49Å
530K74.2Confident71.7Confident136 Ų13686.6 Ų86.659%0.59143%0.434SS*.Hα-helixtrans-57.9-42.2173.9-171.4179.8179.9-177.60111P526 F527 N533 M534P526-K530 VanDerWaalsContact O-CB 3.23Å; P526-K530 WeakPolarHBondContact O-CB 3.23Å; P526-K530 PolarHBondContact O-N 3.43Å; F527-K530 PolarHBondContact O-N 3.48Å; K530-N533 PolarHBondContact O-N 2.99Å; K530-M534 HydrophobicContact CG-CE 4.32Å; K530-M534 WeakPolarHBondContact O-CG 3.18Å; K530-M534 PolarHBondContact O-N 3.42Å
531Y71.2Confident70.5Confident129 Ų12988 Ų8851%0.50644%0.435SS..Hα-helixtrans-64.1-44176.7-177.7-100.1000112.9F527 L528 V529 M534 K535F527-Y531 WeakPolarHBondContact O-CB 3.35Å; F527-Y531 PolarHBondContact O-N 2.89Å; L528-Y531 PolarHBondContact O-N 3.13Å; V529-Y531 VanDerWaalsContact C-N 3.26Å; V529-Y531 PolarHBondContact O-N 3.08Å; Y531-M534 PolarHBondContact O-N 2.93Å; Y531-K535 HydrophobicContact CE1-CD 4.03Å; Y531-K535 VanDerWaalsContact CE1-CE 3.46Å; Y531-K535 VanDerWaalsContact CZ-CE 3.42Å; Y531-K535 PolarHBondContact O-N 3.37Å; Y531-K535 VanDerWaalsContact O-N 3.15Å; Y531-K535 WeakPolarHBondContact OH-CE 3.28Å; Y531-K535 PolarHBondContact OH-NZ 3.45Å; Y531-K535 VanDerWaalsContact OH-NZ 3.13Å
532K70.1Confident69.2Low83 Ų8391.3 Ų91.336%0.36145%0.447SS..Hα-helixtrans-64.5-41.8176.8-169.7175.2176.8179.70111.8N305 L528 V529 K535 N536N305-K532 PolarHBondContact OD1-NZ 2.97Å; L528-K532 PolarHBondContact O-N 2.89Å; V529-K532 PolarHBondContact O-N 3.4Å; K532-K535 PolarHBondContact O-N 3.25Å; K532-N536 PolarHBondContact O-N 2.94Å
533N64.9Low67.8Low63 Ų6396.7 Ų96.734%0.33747%0.473SS..Hα-helixtrans-65.7-39.8177-70.9-2000111.8V529 K530 K535 N536 V537V529-N533 WeakPolarHBondContact O-CB 3.48Å; V529-N533 PolarHBondContact O-N 3.49Å; K530-N533 PolarHBondContact O-N 2.99Å; N533-K535 VanDerWaalsContact C-N 3.27Å; N533-K535 PolarHBondContact O-N 3.45Å; N533-N536 PolarHBondContact O-N 2.91Å; N533-V537 WeakPolarHBondContact O-CG2 3.48Å; N533-V537 PolarHBondContact O-N 2.8Å
534M55.7Low66.3Low96 Ų9697.9 Ų97.947%0.47348%0.477SS..Hα-helixtrans-63.1-31.7174.3-74.5-171.5-61.500113K530 Y531 R538K530-M534 HydrophobicContact CG-CE 4.32Å; K530-M534 WeakPolarHBondContact O-CG 3.18Å; K530-M534 PolarHBondContact O-N 3.42Å; Y531-M534 PolarHBondContact O-N 2.93Å; M534-R538 WeakPolarHBondContact O-CG 3.28Å; M534-R538 PolarHBondContact O-N 3Å
535K54Low64.8Low113 Ų113101.9 Ų101.949%0.49149%0.491SS..Hα-helixtrans-69.3-43.9172-80.4-171.6173.6179.30112Y531 K532 N533 V537 R538 V539Y531-K535 HydrophobicContact CE1-CD 4.03Å; Y531-K535 VanDerWaalsContact CE1-CE 3.46Å; Y531-K535 VanDerWaalsContact CZ-CE 3.42Å; Y531-K535 PolarHBondContact O-N 3.37Å; Y531-K535 VanDerWaalsContact O-N 3.15Å; Y531-K535 WeakPolarHBondContact OH-CE 3.28Å; Y531-K535 PolarHBondContact OH-NZ 3.45Å; Y531-K535 VanDerWaalsContact OH-NZ 3.13Å; K532-K535 PolarHBondContact O-N 3.25Å; N533-K535 VanDerWaalsContact C-N 3.27Å; N533-K535 PolarHBondContact O-N 3.45Å; K535-V537 VanDerWaalsContact C-N 3.28Å; K535-V537 PolarHBondContact O-N 2.67Å; K535-R538 PolarHBondContact O-N 3.18Å; K535-V539 PolarHBondContact O-N 2.67Å
536N54Low63.4Low107 Ų107108.7 Ų108.757%0.57253%0.525SS*.Hα-helixtrans-71.1-18.6-179.6-75.713.2000114.2K532 N533K532-N536 PolarHBondContact O-N 2.94Å; N533-N536 PolarHBondContact O-N 2.91Å
537V50.9Low62.4Low127 Ų127113.9 Ų113.977%0.7755%0.545SS*.Hα-helixtrans-86.1-17.8173.1173.90000112N533 K535N533-V537 WeakPolarHBondContact O-CG2 3.48Å; N533-V537 PolarHBondContact O-N 2.8Å; K535-V537 VanDerWaalsContact C-N 3.28Å; K535-V537 PolarHBondContact O-N 2.67Å
538R39.7Very low61Low226 Ų226111.1 Ų111.185%0.85354%0.536SS*.Hα-helixtrans-91.2-11.1177.8-77-176.3-179.7-171.60.2113.8M534 K535M534-R538 WeakPolarHBondContact O-CG 3.28Å; M534-R538 PolarHBondContact O-N 3Å; K535-R538 PolarHBondContact O-N 3.18Å
539V42.3Very low59.3Low177 Ų177114.9 Ų114.9100%1.07355%0.552SS**  trans-103.20172.3-178.70000106.8K535K535-V539 PolarHBondContact O-N 2.67Å

Retrieved 539 of 539 residues in 756.4 ms (Link to these results)

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