A0A2K6DAI0_MACNE Loading...

ADP-ribosylhydrolase ARH1

Specifically acts as an arginine mono-ADP-ribosylhydrolase by mediating the removal of mono-ADP-ribose attached to arginine residues on proteins.

AlphaFold DB , UniProt , Accession A0A2K6DAI0, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene ADPRH, Length 357 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
1M96.4Very high98.6Very high111 Ų11129.6 Ų29.655%0.54714%0.138SC..  0-64.80-169.1174.465.800112.3K3 Y4 V5 R342 Y345M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.34Å; M1-Y4 WeakPolarHBondContact O-CB 3.35Å; M1-Y4 PolarHBondContact O-N 3.45Å; M1-V5 PolarHBondContact O-N 3.17Å; M1-R342 HydrophobicContact CG-CG 4.38Å; M1-R342 HydrophobicContact SD-CG 4.35Å; M1-Y345 HydrophobicContact CB-CD1 3.91Å; M1-Y345 HydrophobicContact CB-CE1 3.88Å; M1-Y345 HydrophobicContact CB-CG 4.34Å; M1-Y345 HydrophobicContact CG-CD1 4.18Å; M1-Y345 VanDerWaalsContact N-CE2 3.3Å
2E98.4Very high98.7Very high106 Ų10627.3 Ų27.350%0.49513%0.127SC..Hα-helixtrans-52.7-45.1-177.8-178-131.8-167.500113.2Y4 V5 A6 F320E2-Y4 VanDerWaalsContact C-N 3.27Å; E2-Y4 PolarHBondContact O-N 2.75Å; E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.36Å; E2-V5 WeakPolarHBondContact O-CB 3.17Å; E2-V5 PolarHBondContact O-N 3.46Å; E2-A6 PolarHBondContact O-N 2.47Å; E2-F320 HydrophobicContact CG-CD2 4.32Å
3K98.7Very high98.7Very high90 Ų9025.2 Ų25.239%0.39112%0.118SC..Hα-helixtrans-56.5-33.1174.7-69173.6168.7-67.80115.2M1 A7 V316 M317M1-K3 VanDerWaalsContact C-N 3.32Å; M1-K3 PolarHBondContact O-N 3.34Å; K3-A7 WeakPolarHBondContact O-CB 3.4Å; K3-A7 PolarHBondContact O-N 3.05Å; K3-V316 WeakPolarHBondContact CB-O 3.42Å; K3-V316 VanDerWaalsContact CD-O 3.23Å; K3-V316 WeakPolarHBondContact CD-O 3.48Å; K3-V316 VanDerWaalsContact CG-O 3.3Å; K3-V316 WeakPolarHBondContact CG-O 3.09Å; K3-V316 PolarHBondContact NZ-O 3.43Å; K3-M317 PolarHBondContact NZ-O 3.35Å
4Y98.8Very high98.7Very high13 Ų1323.4 Ų23.45%0.05111%0.109CC..Hα-helixtrans-73.6-38.7174.9-86.2-126.1000110.7M1 E2 A7 M8 L140 V183 A341 L344 Y345M1-Y4 WeakPolarHBondContact O-CB 3.35Å; M1-Y4 PolarHBondContact O-N 3.45Å; E2-Y4 VanDerWaalsContact C-N 3.27Å; E2-Y4 PolarHBondContact O-N 2.75Å; Y4-A7 WeakPolarHBondContact O-CB 3.21Å; Y4-A7 PolarHBondContact O-N 3.16Å; Y4-M8 PolarHBondContact O-N 3.31Å; Y4-L140 HydrophobicContact CD1-CB 4.08Å; Y4-L140 HydrophobicContact CD1-CD1 4.38Å; Y4-L140 HydrophobicContact CD1-CD2 4.21Å; Y4-L140 HydrophobicContact CD1-CG 4.46Å; Y4-L140 HydrophobicContact CD2-CD2 4.4Å; Y4-L140 HydrophobicContact CE1-CB 3.66Å; Y4-L140 HydrophobicContact CE1-CD2 4.11Å; Y4-L140 HydrophobicContact CE1-CG 4.37Å; Y4-L140 VanDerWaalsContact CE1-O 3.27Å; Y4-L140 WeakPolarHBondContact CE1-O 3.37Å; Y4-L140 HydrophobicContact CE2-CD2 4.3Å; Y4-L140 HydrophobicContact CG-CD2 4.35Å; Y4-L140 PolarHBondContact OH-O 3.06Å; Y4-V183 HydrophobicContact CE2-CG1 4.29Å; Y4-V183 HydrophobicContact CE2-CG2 4.08Å; Y4-A341 WeakPolarHBondContact O-CB 3.33Å; Y4-L344 HydrophobicContact CD1-CB 4.27Å; Y4-Y345 VanDerWaalsContact CD1-CA 3.49Å; Y4-Y345 HydrophobicContact CD1-CD2 4.24Å; Y4-Y345 HydrophobicContact CD1-CG 4.47Å; Y4-Y345 AromaticContact CD2-CD2 3.8Å; Y4-Y345 HydrophobicContact CD2-CD2 3.8Å; Y4-Y345 HydrophobicContact CE1-CD2 4.35Å; Y4-Y345 AromaticContact CE2-CD2 3.92Å; Y4-Y345 HydrophobicContact CE2-CD2 3.92Å; Y4-Y345 AromaticContact CG-CD2 3.97Å; Y4-Y345 HydrophobicContact CG-CD2 3.97Å; Y4-Y345 HydrophobicContact CG-CG 4.38Å
5V98.9Very high98.7Very high5 Ų521.8 Ų21.83%0.0310%0.102CC..Hα-helixtrans-62.9-47.6174.8178.30000110M1 E2 A7 M8 V9 F320 E338 A341 R342M1-V5 PolarHBondContact O-N 3.17Å; E2-V5 CarbonylContact O-C 3.58Å; E2-V5 WeakPolarHBondContact O-CA 3.36Å; E2-V5 WeakPolarHBondContact O-CB 3.17Å; E2-V5 PolarHBondContact O-N 3.46Å; V5-A7 VanDerWaalsContact C-N 3.31Å; V5-A7 PolarHBondContact O-N 3.2Å; V5-M8 PolarHBondContact O-N 3.27Å; V5-V9 HydrophobicContact CG1-CG2 4.13Å; V5-V9 WeakPolarHBondContact O-CB 3.44Å; V5-V9 VanDerWaalsContact O-CG2 3.28Å; V5-V9 WeakPolarHBondContact O-CG2 3.32Å; V5-V9 PolarHBondContact O-N 2.91Å; V5-F320 HydrophobicContact CG1-CE2 4.17Å; V5-F320 HydrophobicContact CG1-CZ 4.21Å; V5-E338 HydrophobicContact CG1-CB 4.22Å; V5-E338 HydrophobicContact CG1-CG 3.72Å; V5-A341 HydrophobicContact CB-CB 4.4Å; V5-A341 HydrophobicContact CG2-CB 4.08Å; V5-R342 HydrophobicContact CG2-CG 4.09Å
6A98.9Very high98.7Very high0 Ų020.4 Ų20.40%010%0.096CC..Hα-helixtrans-60.3-39.5174.300000112.1E2 M8 V9 L10 G315 F320E2-A6 PolarHBondContact O-N 2.47Å; A6-M8 PolarHBondContact O-N 3.1Å; A6-V9 PolarHBondContact O-N 3.46Å; A6-L10 HydrophobicContact CB-CD1 4.18Å; A6-L10 HydrophobicContact CB-CG 4.47Å; A6-L10 WeakPolarHBondContact O-CA 3.44Å; A6-L10 WeakPolarHBondContact O-CB 3.23Å; A6-L10 VanDerWaalsContact O-CG 3.31Å; A6-L10 WeakPolarHBondContact O-CG 3.28Å; A6-L10 PolarHBondContact O-N 3.01Å; A6-G315 WeakPolarHBondContact CB-O 3.44Å; A6-F320 HydrophobicContact CB-CD2 3.97Å; A6-F320 HydrophobicContact CB-CE1 4.4Å; A6-F320 HydrophobicContact CB-CE2 3.72Å; A6-F320 HydrophobicContact CB-CG 4.42Å; A6-F320 HydrophobicContact CB-CZ 3.96Å
7A98.9Very high98.7Very high0 Ų019.2 Ų19.20%09%0.09CC..Hα-helixtrans-56.5-51.3176.600000112.2K3 Y4 V5 S11 L140 C312 V316K3-A7 WeakPolarHBondContact O-CB 3.4Å; K3-A7 PolarHBondContact O-N 3.05Å; Y4-A7 WeakPolarHBondContact O-CB 3.21Å; Y4-A7 PolarHBondContact O-N 3.16Å; V5-A7 VanDerWaalsContact C-N 3.31Å; V5-A7 PolarHBondContact O-N 3.2Å; A7-S11 WeakPolarHBondContact O-CB 3.35Å; A7-S11 PolarHBondContact O-N 3.38Å; A7-L140 HydrophobicContact CB-CD1 3.99Å; A7-L140 HydrophobicContact CB-CD2 4.22Å; A7-C312 WeakPolarHBondContact O-CA 3.36Å; A7-V316 HydrophobicContact CB-CG2 3.45Å; A7-V316 VanDerWaalsContact CB-CG2 3.45Å
8M98.9Very high98.7Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-71-44.7179.9-62-56.9-59.500111.9Y4 V5 A6 A12 H60 A64 C137 L140 L337 A341 L344Y4-M8 PolarHBondContact O-N 3.31Å; V5-M8 PolarHBondContact O-N 3.27Å; A6-M8 PolarHBondContact O-N 3.1Å; M8-A12 PolarHBondContact O-N 3.4Å; M8-H60 VanDerWaalsContact SD-CE1 3.52Å; M8-A64 HydrophobicContact CE-CB 3.75Å; M8-C137 HydrophobicContact SD-CB 4.05Å; M8-L140 HydrophobicContact CG-CD1 4.41Å; M8-L140 HydrophobicContact SD-CD1 3.92Å; M8-L337 HydrophobicContact CB-CB 4.33Å; M8-L337 HydrophobicContact CB-CD2 4.17Å; M8-L337 HydrophobicContact CE-CD2 4.24Å; M8-A341 HydrophobicContact CB-CB 4.11Å; M8-A341 HydrophobicContact CG-CB 3.69Å; M8-L344 HydrophobicContact SD-CD1 4.21Å
9V98.9Very high98.7Very high0 Ų017.7 Ų17.70%08%0.082CC..Hα-helixtrans-71-40.8-175.6173.70000112.1V5 A6 A12 A13 F320 Y328 L331 L337 E338V5-V9 HydrophobicContact CG1-CG2 4.13Å; V5-V9 WeakPolarHBondContact O-CB 3.44Å; V5-V9 VanDerWaalsContact O-CG2 3.28Å; V5-V9 WeakPolarHBondContact O-CG2 3.32Å; V5-V9 PolarHBondContact O-N 2.91Å; A6-V9 PolarHBondContact O-N 3.46Å; V9-A12 PolarHBondContact O-N 3.4Å; V9-A13 WeakPolarHBondContact O-CB 3.27Å; V9-A13 PolarHBondContact O-N 2.87Å; V9-F320 HydrophobicContact CB-CE1 4.19Å; V9-F320 HydrophobicContact CB-CZ 4Å; V9-F320 HydrophobicContact CG1-CE1 3.88Å; V9-F320 HydrophobicContact CG1-CZ 4.08Å; V9-F320 HydrophobicContact CG2-CZ 4.47Å; V9-Y328 HydrophobicContact CG1-CD2 4.13Å; V9-Y328 HydrophobicContact CG1-CG 4.19Å; V9-L331 HydrophobicContact CG1-CD2 4.37Å; V9-L331 WeakPolarHBondContact O-CD2 3.49Å; V9-L337 HydrophobicContact CG2-CB 4.09Å; V9-E338 HydrophobicContact CG2-CG 3.89Å
10L98.9Very high98.7Very high0 Ų018.7 Ų18.70%09%0.086CC..Hα-helixtrans-81.7-21.1-179-59.4-177.3000113.1A6 A13 G14 W289 W314 G319 F320 V323 Y328A6-L10 HydrophobicContact CB-CD1 4.18Å; A6-L10 HydrophobicContact CB-CG 4.47Å; A6-L10 WeakPolarHBondContact O-CA 3.44Å; A6-L10 WeakPolarHBondContact O-CB 3.23Å; A6-L10 VanDerWaalsContact O-CG 3.31Å; A6-L10 WeakPolarHBondContact O-CG 3.28Å; A6-L10 PolarHBondContact O-N 3.01Å; L10-A13 HydrophobicContact CD2-CB 4.42Å; L10-G14 PolarHBondContact O-N 3Å; L10-W289 HydrophobicContact CB-CH2 4.05Å; L10-W289 HydrophobicContact CB-CZ3 4.14Å; L10-W289 HydrophobicContact CD1-CZ3 4.35Å; L10-W289 HydrophobicContact CD2-CH2 4.35Å; L10-W314 HydrophobicContact CD1-CE3 3.93Å; L10-W314 HydrophobicContact CD1-CZ3 3.82Å; L10-G319 VanDerWaalsContact CD1-O 3.3Å; L10-G319 WeakPolarHBondContact CD1-O 3.4Å; L10-F320 HydrophobicContact CD1-CD1 4.23Å; L10-F320 HydrophobicContact CD1-CE1 4.46Å; L10-F320 HydrophobicContact CD2-CD1 3.87Å; L10-F320 HydrophobicContact CD2-CE1 3.77Å; L10-F320 HydrophobicContact CG-CD1 4.16Å; L10-F320 HydrophobicContact CG-CE1 3.95Å; L10-V323 HydrophobicContact CD1-CG2 3.99Å; L10-V323 HydrophobicContact CD2-CG1 3.96Å; L10-V323 HydrophobicContact CD2-CG2 4.34Å; L10-Y328 HydrophobicContact CD2-CD1 4.34Å
11S98.9Very high98.7Very high1 Ų120.4 Ų20.41%0.00710%0.095CC..Hα-helixtrans-59.3-54163-173.60000110A7 A13 G14 D15 M136 A308A7-S11 WeakPolarHBondContact O-CB 3.35Å; A7-S11 PolarHBondContact O-N 3.38Å; S11-A13 PolarHBondContact O-N 2.86Å; S11-G14 PolarHBondContact O-N 2.92Å; S11-G14 VanDerWaalsContact O-N 3.13Å; S11-D15 PolarHBondContact O-N 3.18Å; S11-M136 WeakPolarHBondContact OG-CE 3.35Å; S11-A308 WeakPolarHBondContact CA-O 3.44Å; S11-A308 WeakPolarHBondContact CB-O 3.34Å; S11-A308 PolarHBondContact OG-O 2.74Å
12A98.9Very high98.8Very high1 Ų115.8 Ų15.81%0.0088%0.076CC..Hα-helixtrans-68.1-32.7-179.700000113.9M8 V9 S16 V53 T57 L331 L337M8-A12 PolarHBondContact O-N 3.4Å; V9-A12 PolarHBondContact O-N 3.4Å; A12-S16 WeakPolarHBondContact O-CB 3.44Å; A12-S16 PolarHBondContact O-N 3.36Å; A12-V53 HydrophobicContact CB-CG1 4.21Å; A12-T57 VanDerWaalsContact CA-OG1 3.26Å; A12-T57 WeakPolarHBondContact CA-OG1 3.42Å; A12-T57 HydrophobicContact CB-CG2 3.58Å; A12-T57 WeakPolarHBondContact CB-OG1 3.36Å; A12-L331 HydrophobicContact CB-CD2 3.73Å; A12-L337 HydrophobicContact CB-CD1 3.5Å; A12-L337 VanDerWaalsContact CB-CD1 3.5Å; A12-L337 HydrophobicContact CB-CD2 4.24Å
13A98.9Very high98.8Very high0 Ų016.7 Ų16.70%08%0.079CC..Hα-helixtrans-66.3-41.117100000111.3V9 L10 S11 S16 L17 N327 L331V9-A13 WeakPolarHBondContact O-CB 3.27Å; V9-A13 PolarHBondContact O-N 2.87Å; L10-A13 HydrophobicContact CD2-CB 4.42Å; S11-A13 PolarHBondContact O-N 2.86Å; A13-S16 PolarHBondContact O-N 3.25Å; A13-L17 VanDerWaalsContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.36Å; A13-L17 WeakPolarHBondContact O-CG 3.3Å; A13-L17 PolarHBondContact O-N 3.17Å; A13-N327 WeakPolarHBondContact CB-O 3.37Å; A13-L331 HydrophobicContact CB-CD2 4.19Å
14G98.9Very high98.8Very high0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-58-53.4174.900000111.6L10 S11 L17 G18 A307L10-G14 PolarHBondContact O-N 3Å; S11-G14 PolarHBondContact O-N 2.92Å; S11-G14 VanDerWaalsContact O-N 3.13Å; G14-L17 PolarHBondContact O-N 3.1Å; G14-G18 PolarHBondContact O-N 3.38Å; G14-A307 WeakPolarHBondContact O-CB 3.46Å
15D98.9Very high98.6Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-48.1-62.5171.5163.1-7.1000110.4S11 L17 G18 Y19 S54 D56 T57 A308S11-D15 PolarHBondContact O-N 3.18Å; D15-L17 PolarHBondContact O-N 3.43Å; D15-L17 VanDerWaalsContact O-N 3.11Å; D15-G18 PolarHBondContact O-N 3.47Å; D15-Y19 VanDerWaalsContact O-CB 3.24Å; D15-Y19 WeakPolarHBondContact O-CB 3.27Å; D15-Y19 PolarHBondContact O-N 2.94Å; D15-S54 VanDerWaalsContact CG-OG 3.27Å; D15-S54 VanDerWaalsContact OD1-CB 3.32Å; D15-S54 WeakPolarHBondContact OD1-CB 3.23Å; D15-S54 PolarHBondContact OD1-N 3.36Å; D15-S54 PolarHBondContact OD1-OG 2.8Å; D15-S54 PolarHBondContact OD2-N 3.2Å; D15-S54 VanDerWaalsContact OD2-N 3.14Å; D15-S54 PolarHBondContact OD2-OG 2.92Å; D15-D56 HydrophobicContact CB-CB 4.42Å; D15-T57 WeakPolarHBondContact OD2-CB 3.25Å; D15-T57 PolarHBondContact OD2-N 3.49Å; D15-T57 PolarHBondContact OD2-OG1 3.24Å; D15-A308 HydrophobicContact CB-CB 4.19Å
16S98.9Very high98.5Very high0 Ų017.6 Ų17.60%08%0.083CC..Hα-helixtrans-53.9-40-177172.50000113.1A12 A13 Y20 W51A12-S16 WeakPolarHBondContact O-CB 3.44Å; A12-S16 PolarHBondContact O-N 3.36Å; A13-S16 PolarHBondContact O-N 3.25Å; S16-Y20 PolarHBondContact O-N 3.09Å; S16-W51 WeakPolarHBondContact OG-CB 3.44Å; S16-W51 PolarHBondContact OG-O 3.12Å
17L98.9Very high98.4Very high0 Ų019.1 Ų19.10%09%0.091CC..Hα-helixtrans-69.8-43.3177.9-72.8167.3000112.8A13 G14 D15 W24 L43 L46 V48 W51 W289 F297 F298A13-L17 VanDerWaalsContact O-CB 3.27Å; A13-L17 WeakPolarHBondContact O-CB 3.43Å; A13-L17 WeakPolarHBondContact O-CD1 3.36Å; A13-L17 WeakPolarHBondContact O-CG 3.3Å; A13-L17 PolarHBondContact O-N 3.17Å; G14-L17 PolarHBondContact O-N 3.1Å; D15-L17 PolarHBondContact O-N 3.43Å; D15-L17 VanDerWaalsContact O-N 3.11Å; L17-W24 VanDerWaalsContact O-CE3 3.28Å; L17-L43 HydrophobicContact CD1-CD1 3.94Å; L17-L43 HydrophobicContact CD2-CD1 4.28Å; L17-L46 HydrophobicContact CD2-CB 4.15Å; L17-L46 HydrophobicContact CD2-CD1 3.59Å; L17-V48 HydrophobicContact CD2-CG1 3.93Å; L17-V48 HydrophobicContact CG-CG1 4.16Å; L17-W51 HydrophobicContact CD2-CE3 4.42Å; L17-W51 HydrophobicContact CD2-CZ3 4.32Å; L17-W289 HydrophobicContact CD1-CZ2 4.16Å; L17-F297 HydrophobicContact CB-CD2 4.35Å; L17-F297 HydrophobicContact CD1-CD2 4.22Å; L17-F297 HydrophobicContact CD1-CE2 4.38Å; L17-F298 HydrophobicContact CB-CE1 4.24Å; L17-F298 HydrophobicContact CB-CZ 4.34Å
18G98.8Very high98.4Very high0 Ų025.8 Ų25.80%012%0.122CC..Hα-helixtrans-69.9-33.7176.100000112.6G14 D15 W24 E25 F297G14-G18 PolarHBondContact O-N 3.38Å; D15-G18 PolarHBondContact O-N 3.47Å; G18-W24 VanDerWaalsContact O-CB 3.32Å; G18-W24 WeakPolarHBondContact O-CB 3.45Å; G18-E25 PolarHBondContact O-N 2.95Å; G18-F297 WeakPolarHBondContact CA-O 3.47Å
19Y98.9Very high98.4Very high9 Ų928.5 Ų28.54%0.03514%0.136CC..Hα-helixtrans-74.2-52-178.8-172.6-123000111.7D15 N21 G22 K23 W24 E25 R52 G96 R97 A98 D304D15-Y19 VanDerWaalsContact O-CB 3.24Å; D15-Y19 WeakPolarHBondContact O-CB 3.27Å; D15-Y19 PolarHBondContact O-N 2.94Å; Y19-N21 VanDerWaalsContact C-N 3.31Å; Y19-N21 VanDerWaalsContact CD1-CA 3.47Å; Y19-N21 PolarHBondContact O-N 3.02Å; Y19-G22 VanDerWaalsContact CE1-N 3.29Å; Y19-G22 VanDerWaalsContact CZ-N 3.28Å; Y19-G22 CarbonylContact O-C 3.49Å; Y19-G22 WeakPolarHBondContact O-CA 3.16Å; Y19-G22 PolarHBondContact O-N 3.2Å; Y19-K23 PolarHBondContact O-N 3.03Å; Y19-K23 VanDerWaalsContact O-N 3.14Å; Y19-W24 PolarHBondContact O-N 3.28Å; Y19-E25 HydrophobicContact CD2-CB 4.15Å; Y19-E25 WeakPolarHBondContact CD2-OE2 3.25Å; Y19-E25 WeakPolarHBondContact CE2-OE2 3.37Å; Y19-R52 HydrophobicContact CD1-CG 3.94Å; Y19-R52 HydrophobicContact CE1-CG 3.65Å; Y19-G96 PolarHBondContact OH-O 3.09Å; Y19-R97 WeakPolarHBondContact OH-CA 3.41Å; Y19-A98 HydrophobicContact CE2-CB 4.2Å; Y19-D304 VanDerWaalsContact CD2-OD2 3.32Å; Y19-D304 WeakPolarHBondContact CD2-OD2 3.45Å
20Y98.7Very high98.4Very high37 Ų3728.5 Ų28.515%0.14514%0.136CC..THydrogen-bonded Turntrans46.150.9-171.2-173.5-159.9000113.1S16 G22 K23 W24 L40 W51S16-Y20 PolarHBondContact O-N 3.09Å; Y20-G22 VanDerWaalsContact C-N 3.28Å; Y20-G22 PolarHBondContact O-N 3.4Å; Y20-K23 HydrophobicContact CD1-CB 3.81Å; Y20-K23 HydrophobicContact CD1-CD 3.99Å; Y20-K23 HydrophobicContact CE1-CB 4.38Å; Y20-K23 HydrophobicContact CE1-CD 3.79Å; Y20-K23 HydrophobicContact CE2-CD 4.33Å; Y20-K23 HydrophobicContact CG-CB 4.14Å; Y20-K23 HydrophobicContact CG-CD 4.39Å; Y20-K23 WeakPolarHBondContact O-CB 3.28Å; Y20-K23 WeakPolarHBondContact O-CG 3.47Å; Y20-K23 PolarHBondContact O-N 2.84Å; Y20-K23 VanDerWaalsContact O-N 3.14Å; Y20-W24 AromaticContact CD1-CD1 3.86Å; Y20-W24 AromaticContact CD1-CD2 3.72Å; Y20-W24 HydrophobicContact CD1-CD2 3.72Å; Y20-W24 AromaticContact CD1-CE2 3.53Å; Y20-W24 HydrophobicContact CD1-CE3 4.33Å; Y20-W24 AromaticContact CD1-CG 3.95Å; Y20-W24 HydrophobicContact CD1-CG 3.95Å; Y20-W24 HydrophobicContact CD1-CZ2 4.01Å; Y20-W24 AromaticContact CD1-NE1 3.6Å; Y20-W24 HydrophobicContact CE1-CZ2 4.27Å; Y20-W24 HydrophobicContact CG-CD2 4.31Å; Y20-L40 HydrophobicContact CE1-CD1 4.29Å; Y20-W51 AromaticContact CD1-CH2 3.83Å; Y20-W51 HydrophobicContact CD1-CH2 3.83Å; Y20-W51 HydrophobicContact CD1-CZ2 4.26Å; Y20-W51 HydrophobicContact CD1-CZ3 4.15Å; Y20-W51 AromaticContact CD2-CD2 3.37Å; Y20-W51 HydrophobicContact CD2-CD2 3.37Å; Y20-W51 AromaticContact CD2-CE2 3.3Å; Y20-W51 AromaticContact CD2-CE3 3.51Å; Y20-W51 HydrophobicContact CD2-CE3 3.51Å; Y20-W51 HydrophobicContact CD2-CG 4.08Å; Y20-W51 AromaticContact CD2-CH2 3.54Å; Y20-W51 HydrophobicContact CD2-CH2 3.54Å; Y20-W51 AromaticContact CD2-CZ2 3.41Å; Y20-W51 HydrophobicContact CD2-CZ2 3.41Å; Y20-W51 VanDerWaalsContact CD2-CZ2 3.41Å; Y20-W51 AromaticContact CD2-CZ3 3.6Å; Y20-W51 HydrophobicContact CD2-CZ3 3.6Å; Y20-W51 AromaticContact CD2-NE1 3.97Å; Y20-W51 HydrophobicContact CE1-CH2 4.09Å; Y20-W51 HydrophobicContact CE1-CZ2 4.15Å; Y20-W51 AromaticContact CE2-CD2 3.89Å; Y20-W51 HydrophobicContact CE2-CD2 3.89Å; Y20-W51 AromaticContact CE2-CE2 3.32Å; Y20-W51 HydrophobicContact CE2-CE3 4.37Å; Y20-W51 AromaticContact CE2-CH2 3.85Å; Y20-W51 HydrophobicContact CE2-CH2 3.85Å; Y20-W51 AromaticContact CE2-CZ2 3.31Å; Y20-W51 HydrophobicContact CE2-CZ2 3.31Å; Y20-W51 HydrophobicContact CE2-CZ3 4.36Å; Y20-W51 AromaticContact CE2-NE1 3.69Å; Y20-W51 HydrophobicContact CG-CD2 4.13Å; Y20-W51 AromaticContact CG-CE3 3.79Å; Y20-W51 HydrophobicContact CG-CE3 3.79Å; Y20-W51 AromaticContact CG-CH2 3.54Å; Y20-W51 HydrophobicContact CG-CH2 3.54Å; Y20-W51 AromaticContact CG-CZ2 3.92Å; Y20-W51 HydrophobicContact CG-CZ2 3.92Å; Y20-W51 AromaticContact CG-CZ3 3.49Å; Y20-W51 HydrophobicContact CG-CZ3 3.49Å; Y20-W51 VanDerWaalsContact CG-CZ3 3.49Å; Y20-W51 AromaticContact CZ-CZ2 3.68Å
21N98.6Very high98.4Very high55 Ų5532.3 Ų32.329%0.29415%0.154SC..THydrogen-bonded Turntrans54.841-173.5-53.7-79000112.6Y19 K23 R50 R52Y19-N21 VanDerWaalsContact C-N 3.31Å; Y19-N21 VanDerWaalsContact CD1-CA 3.47Å; Y19-N21 PolarHBondContact O-N 3.02Å; N21-K23 VanDerWaalsContact C-N 3.27Å; N21-K23 PolarHBondContact O-N 2.84Å; N21-R50 PolarHBondContact ND2-O 2.93Å; N21-R50 PolarHBondContact OD1-O 3.28Å; N21-R52 VanDerWaalsContact OD1-CG 3.24Å; N21-R52 WeakPolarHBondContact OD1-CG 3.41Å; N21-R52 PolarHBondContact OD1-N 2.89Å; N21-R52 PolarHBondContact OD1-NE 3.24Å
22G97.9Very high98.4Very high14 Ų1436.6 Ų36.614%0.14417%0.173CC..THydrogen-bonded Turntrans76.20.2-177.200000115.3Y19 Y20 F26Y19-G22 VanDerWaalsContact CE1-N 3.29Å; Y19-G22 VanDerWaalsContact CZ-N 3.28Å; Y19-G22 CarbonylContact O-C 3.49Å; Y19-G22 WeakPolarHBondContact O-CA 3.16Å; Y19-G22 PolarHBondContact O-N 3.2Å; Y20-G22 VanDerWaalsContact C-N 3.28Å; Y20-G22 PolarHBondContact O-N 3.4Å; G22-F26 VanDerWaalsContact O-CD2 3.24Å; G22-F26 WeakPolarHBondContact O-CD2 3.47Å
23K98.3Very high98.4Very high125 Ų12536.6 Ų36.654%0.54317%0.173SC..THydrogen-bonded Turntrans-73.3-31.7-178-72-178.1178.5177.90113.4Y19 Y20 N21 L27Y19-K23 PolarHBondContact O-N 3.03Å; Y19-K23 VanDerWaalsContact O-N 3.14Å; Y20-K23 HydrophobicContact CD1-CB 3.81Å; Y20-K23 HydrophobicContact CD1-CD 3.99Å; Y20-K23 HydrophobicContact CE1-CB 4.38Å; Y20-K23 HydrophobicContact CE1-CD 3.79Å; Y20-K23 HydrophobicContact CE2-CD 4.33Å; Y20-K23 HydrophobicContact CG-CB 4.14Å; Y20-K23 HydrophobicContact CG-CD 4.39Å; Y20-K23 WeakPolarHBondContact O-CB 3.28Å; Y20-K23 WeakPolarHBondContact O-CG 3.47Å; Y20-K23 PolarHBondContact O-N 2.84Å; Y20-K23 VanDerWaalsContact O-N 3.14Å; N21-K23 VanDerWaalsContact C-N 3.27Å; N21-K23 PolarHBondContact O-N 2.84Å; K23-L27 WeakPolarHBondContact O-CB 3.37Å
24W98.3Very high98.4Very high0 Ų038.2 Ų38.20%018%0.18CC..THydrogen-bonded Turntrans-103.4-37.8-174.6-76.2-6.9000112.7L17 G18 Y19 Y20 F26 L27 I33 Q36 L37 L40 L46 W51 F298L17-W24 VanDerWaalsContact O-CE3 3.28Å; G18-W24 VanDerWaalsContact O-CB 3.32Å; G18-W24 WeakPolarHBondContact O-CB 3.45Å; Y19-W24 PolarHBondContact O-N 3.28Å; Y20-W24 AromaticContact CD1-CD1 3.86Å; Y20-W24 AromaticContact CD1-CD2 3.72Å; Y20-W24 HydrophobicContact CD1-CD2 3.72Å; Y20-W24 AromaticContact CD1-CE2 3.53Å; Y20-W24 HydrophobicContact CD1-CE3 4.33Å; Y20-W24 AromaticContact CD1-CG 3.95Å; Y20-W24 HydrophobicContact CD1-CG 3.95Å; Y20-W24 HydrophobicContact CD1-CZ2 4.01Å; Y20-W24 AromaticContact CD1-NE1 3.6Å; Y20-W24 HydrophobicContact CE1-CZ2 4.27Å; Y20-W24 HydrophobicContact CG-CD2 4.31Å; W24-F26 VanDerWaalsContact C-N 3.27Å; W24-F26 PolarHBondContact O-N 2.86Å; W24-L27 PolarHBondContact O-N 2.82Å; W24-I33 HydrophobicContact CB-CD1 4.38Å; W24-I33 HydrophobicContact CB-CG1 4.46Å; W24-I33 HydrophobicContact CD2-CG2 3.73Å; W24-I33 HydrophobicContact CE3-CG2 3.97Å; W24-I33 HydrophobicContact CG-CG1 4.29Å; W24-I33 HydrophobicContact CG-CG2 3.99Å; W24-I33 HydrophobicContact CZ3-CG2 4.47Å; W24-Q36 HydrophobicContact CZ2-CB 3.93Å; W24-L37 HydrophobicContact CH2-CB 4.02Å; W24-L37 HydrophobicContact CH2-CD1 4.08Å; W24-L37 HydrophobicContact CZ2-CB 4.46Å; W24-L40 HydrophobicContact CH2-CD1 3.97Å; W24-L40 HydrophobicContact CZ2-CD1 3.81Å; W24-L46 HydrophobicContact CH2-CD1 4.38Å; W24-L46 HydrophobicContact CZ3-CD1 4.39Å; W24-W51 HydrophobicContact CE3-CH2 4.47Å; W24-W51 HydrophobicContact CE3-CZ3 4.18Å; W24-W51 AromaticContact CH2-CH2 3.83Å; W24-W51 HydrophobicContact CH2-CH2 3.83Å; W24-W51 HydrophobicContact CH2-CZ3 4.28Å; W24-W51 HydrophobicContact CZ2-CH2 4.43Å; W24-W51 AromaticContact CZ3-CH2 3.83Å; W24-W51 HydrophobicContact CZ3-CH2 3.83Å; W24-W51 AromaticContact CZ3-CZ3 3.8Å; W24-W51 HydrophobicContact CZ3-CZ3 3.8Å; W24-F298 AromaticContact CE3-CD1 3.79Å; W24-F298 HydrophobicContact CE3-CD1 3.79Å; W24-F298 AromaticContact CE3-CE1 3.78Å; W24-F298 HydrophobicContact CE3-CE1 3.78Å; W24-F298 HydrophobicContact CH2-CE1 4.47Å; W24-F298 AromaticContact CZ3-CD1 3.71Å; W24-F298 HydrophobicContact CZ3-CD1 3.71Å; W24-F298 AromaticContact CZ3-CE1 3.39Å; W24-F298 HydrophobicContact CZ3-CE1 3.39Å; W24-F298 HydrophobicContact CZ3-CZ 4.23Å
25E95.5Very high98.4Very high11 Ų1144 Ų445%0.05120%0.202CC..THydrogen-bonded Turntrans-48.8-48.6171.1-178.9-164.3170.700112.1G18 Y19 L27 W266 D304G18-E25 PolarHBondContact O-N 2.95Å; Y19-E25 HydrophobicContact CD2-CB 4.15Å; Y19-E25 WeakPolarHBondContact CD2-OE2 3.25Å; Y19-E25 WeakPolarHBondContact CE2-OE2 3.37Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3Å; E25-W266 HydrophobicContact CG-CH2 4.11Å; E25-W266 HydrophobicContact CG-CZ2 3.96Å; E25-D304 WeakPolarHBondContact CG-OD1 3.32Å
26F95.8Very high98.3Very high116 Ų11646.5 Ų46.551%0.50921%0.214SC..THydrogen-bonded Turntrans-88.14.7-178.9-56.9-57.5000114.3G22 W24 Q28 A98 W266G22-F26 VanDerWaalsContact O-CD2 3.24Å; G22-F26 WeakPolarHBondContact O-CD2 3.47Å; W24-F26 VanDerWaalsContact C-N 3.27Å; W24-F26 PolarHBondContact O-N 2.86Å; F26-Q28 PolarHBondContact O-N 3.2Å; F26-A98 HydrophobicContact CE2-CB 4.05Å; F26-A98 HydrophobicContact CZ-CB 3.76Å; F26-W266 HydrophobicContact CE1-CH2 4.27Å
27L98.1Very high98.3Very high33 Ų3346.8 Ų46.817%0.17322%0.215CC..  trans-94.191.3176.1-168.966.6000110.3K23 W24 E25 D29 K32 I33K23-L27 WeakPolarHBondContact O-CB 3.37Å; W24-L27 PolarHBondContact O-N 2.82Å; E25-L27 VanDerWaalsContact C-N 3.33Å; E25-L27 PolarHBondContact O-N 3Å; L27-D29 PolarHBondContact O-N 3.23Å; L27-K32 HydrophobicContact CD1-CD 4.08Å; L27-K32 HydrophobicContact CD2-CB 4.21Å; L27-K32 HydrophobicContact CD2-CD 4.13Å; L27-K32 HydrophobicContact CD2-CG 4.03Å; L27-K32 HydrophobicContact CG-CD 4.48Å; L27-I33 HydrophobicContact CB-CG1 4.22Å; L27-I33 HydrophobicContact CD2-CG1 3.83Å; L27-I33 HydrophobicContact CG-CG1 4.24Å; L27-I33 WeakPolarHBondContact O-CD1 3.46Å
28Q98.1Very high98.3Very high139 Ų13950 Ų5065%0.6524%0.242SC*.  trans-74.438.3-175.7-60.3-176.2-23.400115F26 G300F26-Q28 PolarHBondContact O-N 3.2Å; Q28-G300 WeakPolarHBondContact CA-O 3.35Å
29D98.7Very high98.3Very high57 Ų5757.8 Ų57.831%0.30528%0.278SS..  trans-142.996.2176.9176.8-15.2000108.8L27 E31 K32 I33 R35L27-D29 PolarHBondContact O-N 3.23Å; D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 2.9Å; D29-E31 WeakPolarHBondContact OD1-CB 3.14Å; D29-E31 PolarHBondContact OD1-N 3.5Å; D29-E31 VanDerWaalsContact OD1-N 3.07Å; D29-K32 HydrophobicContact CB-CB 3.91Å; D29-K32 VanDerWaalsContact CG-CB 3.48Å; D29-K32 WeakPolarHBondContact O-CB 3.29Å; D29-K32 PolarHBondContact O-N 2.76Å; D29-K32 PolarHBondContact OD1-N 3Å; D29-I33 PolarHBondContact O-N 3.36Å; D29-R35 IonicContact OD1-NH2 2.79Å; D29-R35 IonicContact OD2-NH2 3.77Å
30G98.8Very high98.3Very high0 Ų060.7 Ų60.70%029%0.294CS..Hα-helixtrans-59.7-36.2-179.800000112.6K32 I33 H34 D255G30-K32 VanDerWaalsContact C-N 3.25Å; G30-K32 PolarHBondContact O-N 3.27Å; G30-I33 PolarHBondContact O-N 3.05Å; G30-H34 PolarHBondContact O-CD2 3.03Å; G30-H34 PolarHBondContact O-N 2.99Å; G30-D255 VanDerWaalsContact CA-OD2 3.31Å; G30-D255 WeakPolarHBondContact CA-OD2 3.27Å; G30-D255 PolarHBondContact N-OD2 2.98Å
31E98.8Very high98.3Very high81 Ų8161.6 Ų61.638%0.37932%0.315SS..Hα-helixtrans-63.9-35.9176.8-60.9-171.4133.900111D29 H34 R35 V251 K252D29-E31 VanDerWaalsContact C-N 3.28Å; D29-E31 PolarHBondContact O-N 2.9Å; D29-E31 WeakPolarHBondContact OD1-CB 3.14Å; D29-E31 PolarHBondContact OD1-N 3.5Å; D29-E31 VanDerWaalsContact OD1-N 3.07Å; E31-H34 PolarHBondContact O-N 3.3Å; E31-R35 VanDerWaalsContact O-CG 3.32Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.03Å; E31-R35 IonicContact OE2-NH1 3.9Å; E31-V251 HydrophobicContact CG-CB 4.37Å; E31-V251 HydrophobicContact CG-CG1 4.15Å; E31-K252 HydrophobicContact CG-CB 4.2Å
32K98.8Very high98.3Very high91 Ų9159.7 Ų59.740%0.39631%0.308SS..Hα-helixtrans-70.7-39.3175.4-166174.3169.8-174.10112.2L27 D29 G30 H34 R35 Q36L27-K32 HydrophobicContact CD1-CD 4.08Å; L27-K32 HydrophobicContact CD2-CB 4.21Å; L27-K32 HydrophobicContact CD2-CD 4.13Å; L27-K32 HydrophobicContact CD2-CG 4.03Å; L27-K32 HydrophobicContact CG-CD 4.48Å; D29-K32 HydrophobicContact CB-CB 3.91Å; D29-K32 VanDerWaalsContact CG-CB 3.48Å; D29-K32 WeakPolarHBondContact O-CB 3.29Å; D29-K32 PolarHBondContact O-N 2.76Å; D29-K32 PolarHBondContact OD1-N 3Å; G30-K32 VanDerWaalsContact C-N 3.25Å; G30-K32 PolarHBondContact O-N 3.27Å; K32-H34 VanDerWaalsContact C-N 3.35Å; K32-R35 VanDerWaalsContact CA-NH2 3.33Å; K32-R35 PolarHBondContact O-N 3.13Å; K32-Q36 WeakPolarHBondContact O-CG 3.35Å; K32-Q36 PolarHBondContact O-N 2.96Å
33I98.8Very high98.3Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-57.4-50.7171.4-63.4173.1000109.5W24 L27 D29 G30 R35 Q36 L37 F298 H299W24-I33 HydrophobicContact CB-CD1 4.38Å; W24-I33 HydrophobicContact CB-CG1 4.46Å; W24-I33 HydrophobicContact CD2-CG2 3.73Å; W24-I33 HydrophobicContact CE3-CG2 3.97Å; W24-I33 HydrophobicContact CG-CG1 4.29Å; W24-I33 HydrophobicContact CG-CG2 3.99Å; W24-I33 HydrophobicContact CZ3-CG2 4.47Å; L27-I33 HydrophobicContact CB-CG1 4.22Å; L27-I33 HydrophobicContact CD2-CG1 3.83Å; L27-I33 HydrophobicContact CG-CG1 4.24Å; L27-I33 WeakPolarHBondContact O-CD1 3.46Å; D29-I33 PolarHBondContact O-N 3.36Å; G30-I33 PolarHBondContact O-N 3.05Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 2.82Å; I33-Q36 WeakPolarHBondContact O-CB 3.44Å; I33-Q36 PolarHBondContact O-N 3.22Å; I33-L37 PolarHBondContact O-N 3.4Å; I33-F298 HydrophobicContact CG2-CB 3.84Å; I33-F298 HydrophobicContact CG2-CD1 4.1Å; I33-F298 HydrophobicContact CG2-CG 4.3Å; I33-H299 VanDerWaalsContact CD1-O 3.25Å; I33-H299 WeakPolarHBondContact CD1-O 3.45Å
34H98.8Very high98.4Very high35 Ų3556.5 Ų56.516%0.16229%0.294CS..Hα-helixtrans-62.9-36.2179.7-82.5-108000113.1G30 E31 K32 L37 A38 H294 F298G30-H34 PolarHBondContact O-CD2 3.03Å; G30-H34 PolarHBondContact O-N 2.99Å; E31-H34 PolarHBondContact O-N 3.3Å; K32-H34 VanDerWaalsContact C-N 3.35Å; H34-L37 PolarHBondContact O-N 3.26Å; H34-A38 WeakPolarHBondContact O-CB 3.22Å; H34-A38 PolarHBondContact O-N 3.34Å; H34-H294 AromaticContact CE1-CD2 3.94Å; H34-H294 PolarHBondContact CE1-O 3.28Å; H34-H294 PolarHBondContact NE2-O 3.43Å; H34-F298 PolarHBondContact CD2-O 3.37Å; H34-F298 WeakPolarHBondContact NE2-CB 3.34Å; H34-F298 PolarHBondContact NE2-O 3.4Å
35R98.9Very high98.4Very high121 Ų12159.2 Ų59.246%0.45732%0.317SS..Hα-helixtrans-62.6-42.3171.3-76.6-176.7-64.7-96.71111.9D29 E31 K32 I33 A38 Q39D29-R35 IonicContact OD1-NH2 2.79Å; D29-R35 IonicContact OD2-NH2 3.77Å; E31-R35 VanDerWaalsContact O-CG 3.32Å; E31-R35 WeakPolarHBondContact O-CG 3.41Å; E31-R35 PolarHBondContact O-N 3.03Å; E31-R35 IonicContact OE2-NH1 3.9Å; K32-R35 VanDerWaalsContact CA-NH2 3.33Å; K32-R35 PolarHBondContact O-N 3.13Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 2.82Å; R35-A38 PolarHBondContact O-N 3.47Å; R35-Q39 VanDerWaalsContact O-CG 3.32Å; R35-Q39 WeakPolarHBondContact O-CG 3.32Å; R35-Q39 PolarHBondContact O-N 3.17Å
36Q98.8Very high98.5Very high53 Ų5359 Ų5925%0.24832%0.316CS..Hα-helixtrans-68.2-40.9176.4-70.4-17819.900111.8W24 K32 I33 A38 Q39 L40W24-Q36 HydrophobicContact CZ2-CB 3.93Å; K32-Q36 WeakPolarHBondContact O-CG 3.35Å; K32-Q36 PolarHBondContact O-N 2.96Å; I33-Q36 WeakPolarHBondContact O-CB 3.44Å; I33-Q36 PolarHBondContact O-N 3.22Å; Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.25Å; Q36-Q39 WeakPolarHBondContact O-CB 3.35Å; Q36-Q39 PolarHBondContact O-N 3.11Å; Q36-Q39 VanDerWaalsContact O-N 3.14Å; Q36-L40 WeakPolarHBondContact O-CG 3.39Å; Q36-L40 PolarHBondContact O-N 2.8Å
37L98.8Very high98.7Very high5 Ų556.5 Ų56.53%0.02631%0.307CS..Hα-helixtrans-55-47.1172.7176.364.8000111W24 I33 H34 Q39 L40 G41 G42 L46 F298W24-L37 HydrophobicContact CH2-CB 4.02Å; W24-L37 HydrophobicContact CH2-CD1 4.08Å; W24-L37 HydrophobicContact CZ2-CB 4.46Å; I33-L37 PolarHBondContact O-N 3.4Å; H34-L37 PolarHBondContact O-N 3.26Å; L37-Q39 PolarHBondContact O-N 2.86Å; L37-L40 PolarHBondContact O-N 2.88Å; L37-G41 PolarHBondContact O-N 3.09Å; L37-G42 WeakPolarHBondContact O-CA 3.28Å; L37-G42 PolarHBondContact O-N 2.92Å; L37-L46 HydrophobicContact CD1-CD1 3.61Å; L37-L46 HydrophobicContact CD1-CD2 4.47Å; L37-L46 HydrophobicContact CD1-CG 4.15Å; L37-F298 HydrophobicContact CD1-CE2 4.22Å; L37-F298 HydrophobicContact CD1-CZ 4.23Å; L37-F298 HydrophobicContact CD2-CD2 3.58Å; L37-F298 HydrophobicContact CD2-CE2 3.64Å; L37-F298 HydrophobicContact CD2-CG 4.26Å; L37-F298 HydrophobicContact CD2-CZ 4.39Å
38A98.7Very high98.7Very high69 Ų6955 Ų5557%0.5730%0.3SS*.Hα-helixtrans-62.7-40.7176.300000112.4H34 R35 Q36 L40 G41H34-A38 WeakPolarHBondContact O-CB 3.22Å; H34-A38 PolarHBondContact O-N 3.34Å; R35-A38 PolarHBondContact O-N 3.47Å; Q36-A38 VanDerWaalsContact C-N 3.3Å; Q36-A38 PolarHBondContact O-N 3.25Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.74Å; A38-G41 PolarHBondContact O-N 3.26Å
39Q98.7Very high98.7Very high162 Ų16250 Ų5076%0.75729%0.286SS*.Hα-helixtrans-64-29.9175.3-72.9172.53.400113.1R35 Q36 L37 G41R35-Q39 VanDerWaalsContact O-CG 3.32Å; R35-Q39 WeakPolarHBondContact O-CG 3.32Å; R35-Q39 PolarHBondContact O-N 3.17Å; Q36-Q39 WeakPolarHBondContact O-CB 3.35Å; Q36-Q39 PolarHBondContact O-N 3.11Å; Q36-Q39 VanDerWaalsContact O-N 3.14Å; L37-Q39 PolarHBondContact O-N 2.86Å; Q39-G41 PolarHBondContact O-N 3.18Å
40L98.6Very high98.7Very high70 Ų7058 Ų5837%0.36631%0.312SS..THydrogen-bonded Turntrans-80.11.4174.2-67.8168.7000113.3Y20 W24 Q36 L37 A38 L46 W51Y20-L40 HydrophobicContact CE1-CD1 4.29Å; W24-L40 HydrophobicContact CH2-CD1 3.97Å; W24-L40 HydrophobicContact CZ2-CD1 3.81Å; Q36-L40 WeakPolarHBondContact O-CG 3.39Å; Q36-L40 PolarHBondContact O-N 2.8Å; L37-L40 PolarHBondContact O-N 2.88Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.74Å; L40-L46 HydrophobicContact CB-CD2 3.64Å; L40-L46 HydrophobicContact CD1-CD2 3.88Å; L40-L46 HydrophobicContact CG-CD2 4.35Å; L40-W51 HydrophobicContact CD1-CH2 4.12Å; L40-W51 HydrophobicContact CD1-CZ2 4.13Å
41G98.6Very high98.6Very high56 Ų5659 Ų5958%0.57732%0.316SS*.THydrogen-bonded Turntrans95.37179.300000114.8L37 A38 Q39L37-G41 PolarHBondContact O-N 3.09Å; A38-G41 PolarHBondContact O-N 3.26Å; Q39-G41 PolarHBondContact O-N 3.18Å
42G98.6Very high98.6Very high16 Ų1659.7 Ų59.717%0.16532%0.315CS..  trans83.4172.1-176.400000113.4L37 D44 A45L37-G42 WeakPolarHBondContact O-CA 3.28Å; L37-G42 PolarHBondContact O-N 2.92Å; G42-D44 VanDerWaalsContact C-N 3.31Å; G42-D44 PolarHBondContact O-N 3.31Å; G42-A45 PolarHBondContact O-N 3.43Å; G42-A45 VanDerWaalsContact O-N 3.08Å
43L98.7Very high98.6Very high0 Ų055.4 Ų55.40%030%0.296CS..G310 helixtrans-52.6-45.2-173.5176.663.3000113.6L17 A45 L46 K290 A293 F298 N327L17-L43 HydrophobicContact CD1-CD1 3.94Å; L17-L43 HydrophobicContact CD2-CD1 4.28Å; L43-A45 PolarHBondContact O-N 2.93Å; L43-A45 VanDerWaalsContact O-N 3.17Å; L43-L46 HydrophobicContact CD1-CD1 4.41Å; L43-L46 WeakPolarHBondContact O-CB 3.41Å; L43-L46 PolarHBondContact O-N 3.15Å; L43-K290 HydrophobicContact CB-CG 4.46Å; L43-K290 HydrophobicContact CD2-CB 4.1Å; L43-K290 HydrophobicContact CD2-CG 3.99Å; L43-A293 HydrophobicContact CD1-CB 4.35Å; L43-A293 HydrophobicContact CD2-CB 3.59Å; L43-F298 HydrophobicContact CD1-CE2 4.13Å; L43-F298 HydrophobicContact CD1-CZ 3.98Å; L43-N327 PolarHBondContact O-ND2 3.42Å
44D98.5Very high98.7Very high71 Ų7155.4 Ų55.438%0.3830%0.296SS..G310 helixtrans-68.2-18.4-173.9-52.2-41.2000112.6G42 K290 S324 S326G42-D44 VanDerWaalsContact C-N 3.31Å; G42-D44 PolarHBondContact O-N 3.31Å; D44-K290 IonicContact OD2-NZ 2.68Å; D44-K290 PolarHBondContact OD2-NZ 3.19Å; D44-S324 PolarHBondContact O-OG 2.93Å; D44-S326 PolarHBondContact O-OG 3.43Å
45A98.6Very high98.7Very high58 Ų5854.1 Ų54.148%0.47929%0.29SS..G310 helixtrans-91.1-10.717700000113.4G42 L43G42-A45 PolarHBondContact O-N 3.43Å; G42-A45 VanDerWaalsContact O-N 3.08Å; L43-A45 PolarHBondContact O-N 2.93Å; L43-A45 VanDerWaalsContact O-N 3.17Å
46L98.7Very high98.7Very high6 Ų648.4 Ų48.43%0.03127%0.269CS..  trans-72132.4-179.8-62.5-173.9000111.1L17 W24 L37 L40 L43 W51 S326 N327L17-L46 HydrophobicContact CD2-CB 4.15Å; L17-L46 HydrophobicContact CD2-CD1 3.59Å; W24-L46 HydrophobicContact CH2-CD1 4.38Å; W24-L46 HydrophobicContact CZ3-CD1 4.39Å; L37-L46 HydrophobicContact CD1-CD1 3.61Å; L37-L46 HydrophobicContact CD1-CD2 4.47Å; L37-L46 HydrophobicContact CD1-CG 4.15Å; L40-L46 HydrophobicContact CB-CD2 3.64Å; L40-L46 HydrophobicContact CD1-CD2 3.88Å; L40-L46 HydrophobicContact CG-CD2 4.35Å; L43-L46 HydrophobicContact CD1-CD1 4.41Å; L43-L46 WeakPolarHBondContact O-CB 3.41Å; L43-L46 PolarHBondContact O-N 3.15Å; L46-W51 HydrophobicContact CD1-CH2 3.89Å; L46-W51 HydrophobicContact CD1-CZ3 4.18Å; L46-W51 HydrophobicContact CD2-CH2 4Å; L46-W51 HydrophobicContact CD2-CZ2 4.04Å; L46-W51 HydrophobicContact CG-CH2 4.5Å; L46-S326 CarbonylContact O-C 3.21Å; L46-S326 VanDerWaalsContact O-C 3.31Å; L46-S326 VanDerWaalsContact O-CB 3.24Å; L46-S326 WeakPolarHBondContact O-CB 3.28Å; L46-S326 PolarHBondContact O-OG 3.49Å; L46-N327 PolarHBondContact O-ND2 2.91Å; L46-N327 VanDerWaalsContact O-ND2 3.09Å
47D98.7Very high98.7Very high63 Ų6345.9 Ų45.934%0.33726%0.257SS..  trans-114.6113174.9-172.2-52.9000109.8G49 S326 K330D47-G49 PolarHBondContact O-N 2.88Å; D47-G49 PolarHBondContact OD1-N 2.88Å; D47-S326 WeakPolarHBondContact CA-O 3.42Å; D47-K330 VanDerWaalsContact CG-CE 3.49Å; D47-K330 WeakPolarHBondContact OD1-CE 3.44Å; D47-K330 IonicContact OD1-NZ 3.43Å; D47-K330 PolarHBondContact OD1-NZ 2.93Å; D47-K330 WeakPolarHBondContact OD2-CE 3.24Å; D47-K330 IonicContact OD2-NZ 3.81Å; D47-K330 PolarHBondContact OD2-NZ 3.05Å
48V98.6Very high98.7Very high1 Ų146 Ų461%0.00626%0.258CS..G310 helixtrans-78.92.2-174-61.90000113.7L17 R50 W51 S326 N327 L331L17-V48 HydrophobicContact CD2-CG1 3.93Å; L17-V48 HydrophobicContact CG-CG1 4.16Å; V48-R50 PolarHBondContact O-N 3.38Å; V48-W51 HydrophobicContact CB-CB 4.22Å; V48-W51 PolarHBondContact O-N 2.9Å; V48-S326 PolarHBondContact N-O 3.14Å; V48-S326 VanDerWaalsContact N-O 3.08Å; V48-N327 WeakPolarHBondContact CG1-O 3.33Å; V48-N327 VanDerWaalsContact CG2-O 3.23Å; V48-N327 WeakPolarHBondContact CG2-O 3.46Å; V48-L331 HydrophobicContact CB-CD1 4.29Å; V48-L331 HydrophobicContact CG2-CB 3.91Å; V48-L331 HydrophobicContact CG2-CD1 3.98Å
49G97.9Very high98.7Very high35 Ų3542.7 Ų42.736%0.36123%0.231SC..G310 helixtrans-61.8-11.2-175.900000115.6D47D47-G49 PolarHBondContact O-N 2.88Å; D47-G49 PolarHBondContact OD1-N 2.88Å
50R98.4Very high98.7Very high224 Ų22435 Ų3585%0.84520%0.195SC*.G310 helixtrans-125.312.9172-61.2-175.168.1-171.51.4112.9N21 V48N21-R50 PolarHBondContact ND2-O 2.93Å; N21-R50 PolarHBondContact OD1-O 3.28Å; V48-R50 PolarHBondContact O-N 3.38Å
51W98.7Very high98.7Very high23 Ų2331.7 Ų31.79%0.08718%0.177CC..  trans-108.197.8-178.9-65.245.2000105.3S16 L17 Y20 W24 L40 L46 V48S16-W51 WeakPolarHBondContact OG-CB 3.44Å; S16-W51 PolarHBondContact OG-O 3.12Å; L17-W51 HydrophobicContact CD2-CE3 4.42Å; L17-W51 HydrophobicContact CD2-CZ3 4.32Å; Y20-W51 AromaticContact CD1-CH2 3.83Å; Y20-W51 HydrophobicContact CD1-CH2 3.83Å; Y20-W51 HydrophobicContact CD1-CZ2 4.26Å; Y20-W51 HydrophobicContact CD1-CZ3 4.15Å; Y20-W51 AromaticContact CD2-CD2 3.37Å; Y20-W51 HydrophobicContact CD2-CD2 3.37Å; Y20-W51 AromaticContact CD2-CE2 3.3Å; Y20-W51 AromaticContact CD2-CE3 3.51Å; Y20-W51 HydrophobicContact CD2-CE3 3.51Å; Y20-W51 HydrophobicContact CD2-CG 4.08Å; Y20-W51 AromaticContact CD2-CH2 3.54Å; Y20-W51 HydrophobicContact CD2-CH2 3.54Å; Y20-W51 AromaticContact CD2-CZ2 3.41Å; Y20-W51 HydrophobicContact CD2-CZ2 3.41Å; Y20-W51 VanDerWaalsContact CD2-CZ2 3.41Å; Y20-W51 AromaticContact CD2-CZ3 3.6Å; Y20-W51 HydrophobicContact CD2-CZ3 3.6Å; Y20-W51 AromaticContact CD2-NE1 3.97Å; Y20-W51 HydrophobicContact CE1-CH2 4.09Å; Y20-W51 HydrophobicContact CE1-CZ2 4.15Å; Y20-W51 AromaticContact CE2-CD2 3.89Å; Y20-W51 HydrophobicContact CE2-CD2 3.89Å; Y20-W51 AromaticContact CE2-CE2 3.32Å; Y20-W51 HydrophobicContact CE2-CE3 4.37Å; Y20-W51 AromaticContact CE2-CH2 3.85Å; Y20-W51 HydrophobicContact CE2-CH2 3.85Å; Y20-W51 AromaticContact CE2-CZ2 3.31Å; Y20-W51 HydrophobicContact CE2-CZ2 3.31Å; Y20-W51 HydrophobicContact CE2-CZ3 4.36Å; Y20-W51 AromaticContact CE2-NE1 3.69Å; Y20-W51 HydrophobicContact CG-CD2 4.13Å; Y20-W51 AromaticContact CG-CE3 3.79Å; Y20-W51 HydrophobicContact CG-CE3 3.79Å; Y20-W51 AromaticContact CG-CH2 3.54Å; Y20-W51 HydrophobicContact CG-CH2 3.54Å; Y20-W51 AromaticContact CG-CZ2 3.92Å; Y20-W51 HydrophobicContact CG-CZ2 3.92Å; Y20-W51 AromaticContact CG-CZ3 3.49Å; Y20-W51 HydrophobicContact CG-CZ3 3.49Å; Y20-W51 VanDerWaalsContact CG-CZ3 3.49Å; Y20-W51 AromaticContact CZ-CZ2 3.68Å; W24-W51 HydrophobicContact CE3-CH2 4.47Å; W24-W51 HydrophobicContact CE3-CZ3 4.18Å; W24-W51 AromaticContact CH2-CH2 3.83Å; W24-W51 HydrophobicContact CH2-CH2 3.83Å; W24-W51 HydrophobicContact CH2-CZ3 4.28Å; W24-W51 HydrophobicContact CZ2-CH2 4.43Å; W24-W51 AromaticContact CZ3-CH2 3.83Å; W24-W51 HydrophobicContact CZ3-CH2 3.83Å; W24-W51 AromaticContact CZ3-CZ3 3.8Å; W24-W51 HydrophobicContact CZ3-CZ3 3.8Å; L40-W51 HydrophobicContact CD1-CH2 4.12Å; L40-W51 HydrophobicContact CD1-CZ2 4.13Å; L46-W51 HydrophobicContact CD1-CH2 3.89Å; L46-W51 HydrophobicContact CD1-CZ3 4.18Å; L46-W51 HydrophobicContact CD2-CH2 4Å; L46-W51 HydrophobicContact CD2-CZ2 4.04Å; L46-W51 HydrophobicContact CG-CH2 4.5Å; V48-W51 HydrophobicContact CB-CB 4.22Å; V48-W51 PolarHBondContact O-N 2.9Å
52R98.8Very high98.7Very high95 Ų9529.1 Ų29.136%0.35815%0.151SC..  trans-62.7154.9178.872.9-171.461.7-152.3-1.4110.3Y19 N21 D95 G96 E332Y19-R52 HydrophobicContact CD1-CG 3.94Å; Y19-R52 HydrophobicContact CE1-CG 3.65Å; N21-R52 VanDerWaalsContact OD1-CG 3.24Å; N21-R52 WeakPolarHBondContact OD1-CG 3.41Å; N21-R52 PolarHBondContact OD1-N 2.89Å; N21-R52 PolarHBondContact OD1-NE 3.24Å; R52-D95 PolarHBondContact NH1-O 2.68Å; R52-G96 WeakPolarHBondContact CD-O 3.48Å; R52-E332 WeakPolarHBondContact CA-OE2 3.5Å; R52-E332 WeakPolarHBondContact CB-OE2 3.25Å
53V98.9Very high98.7Very high0 Ų028.4 Ų28.40%014%0.143CC..  trans-77.1154.3164.5-610000110.3A12 T57 R97 L331 E332 Y333A12-V53 HydrophobicContact CB-CG1 4.21Å; V53-T57 HydrophobicContact CB-CG2 4.1Å; V53-T57 HydrophobicContact CG1-CG2 4.11Å; V53-T57 HydrophobicContact CG2-CG2 3.95Å; V53-R97 PolarHBondContact O-NH1 2.86Å; V53-L331 HydrophobicContact CG1-CD1 3.98Å; V53-E332 HydrophobicContact CG1-CB 4.45Å; V53-E332 HydrophobicContact CG2-CB 4.5Å; V53-E332 HydrophobicContact CG2-CG 4.5Å; V53-E332 PolarHBondContact N-OE2 2.97Å; V53-E332 VanDerWaalsContact N-OE2 3.08Å; V53-Y333 HydrophobicContact CG2-CD2 3.97Å; V53-Y333 HydrophobicContact CG2-CE2 4.1Å
54S98.9Very high98.8Very high0 Ų028.4 Ų28.40%014%0.143CC..  trans-85.3-165.6175.376.30000111.6D15 D56 V58 D304D15-S54 VanDerWaalsContact CG-OG 3.27Å; D15-S54 VanDerWaalsContact OD1-CB 3.32Å; D15-S54 WeakPolarHBondContact OD1-CB 3.23Å; D15-S54 PolarHBondContact OD1-N 3.36Å; D15-S54 PolarHBondContact OD1-OG 2.8Å; D15-S54 PolarHBondContact OD2-N 3.2Å; D15-S54 VanDerWaalsContact OD2-N 3.14Å; D15-S54 PolarHBondContact OD2-OG 2.92Å; S54-D56 PolarHBondContact O-N 3.17Å; S54-D56 WeakPolarHBondContact OG-CB 3.41Å; S54-D56 PolarHBondContact OG-N 3.43Å; S54-D56 VanDerWaalsContact OG-N 3.15Å; S54-D56 PolarHBondContact OG-OD2 2.79Å; S54-V58 WeakPolarHBondContact O-CG2 3.44Å; S54-D304 WeakPolarHBondContact CB-OD2 3.39Å; S54-D304 PolarHBondContact OG-OD2 3.06Å
55D98.8Very high98.8Very high8 Ų826.7 Ų26.74%0.04313%0.133CC..Hα-helixtrans-66.4-23.2172.664.1-57.2000113.2V58 M59 M94 R97 P99 G100 M133D55-V58 PolarHBondContact O-N 3.18Å; D55-M59 WeakPolarHBondContact O-CB 3.42Å; D55-M59 WeakPolarHBondContact O-CG 3.46Å; D55-M59 PolarHBondContact O-N 2.83Å; D55-M94 HydrophobicContact CB-CE 3.89Å; D55-M94 HydrophobicContact CB-SD 3.49Å; D55-M94 WeakPolarHBondContact CB-SD 3.48Å; D55-R97 PolarHBondContact N-O 2.64Å; D55-P99 HydrophobicContact CB-CB 3.96Å; D55-P99 VanDerWaalsContact CG-CA 3.47Å; D55-P99 WeakPolarHBondContact OD2-CA 3.33Å; D55-G100 PolarHBondContact OD2-N 3Å; D55-M133 VanDerWaalsContact OD2-CE 3.29Å; D55-M133 WeakPolarHBondContact OD2-CE 3.48Å
56D98.9Very high98.8Very high2 Ų224 Ų241%0.01111%0.11CC..Hα-helixtrans-53-58.2175.9-67.5-104.2000111.9D15 S54 V58 M59 H60 M133 S305 A308D15-D56 HydrophobicContact CB-CB 4.42Å; S54-D56 PolarHBondContact O-N 3.17Å; S54-D56 WeakPolarHBondContact OG-CB 3.41Å; S54-D56 PolarHBondContact OG-N 3.43Å; S54-D56 VanDerWaalsContact OG-N 3.15Å; S54-D56 PolarHBondContact OG-OD2 2.79Å; D56-V58 PolarHBondContact O-N 3.38Å; D56-M59 PolarHBondContact O-N 3.22Å; D56-H60 VanDerWaalsContact O-CB 3.28Å; D56-H60 WeakPolarHBondContact O-CB 3.26Å; D56-H60 PolarHBondContact O-N 3.01Å; D56-M133 HydrophobicContact CB-CB 4.38Å; D56-M133 HydrophobicContact CB-CG 4.4Å; D56-M133 HydrophobicContact CB-SD 4.23Å; D56-M133 VanDerWaalsContact CG-SD 3.52Å; D56-M133 WeakPolarHBondContact OD1-CB 3.33Å; D56-M133 WeakPolarHBondContact OD1-CG 3.3Å; D56-S305 WeakPolarHBondContact OD1-CA 3.5Å; D56-S305 PolarHBondContact OD1-OG 2.8Å; D56-A308 HydrophobicContact CB-CB 3.97Å
57T98.9Very high98.8Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-64.8-40.2178.5-64.50000111.9A12 D15 V53 M59 H60 L61 L337A12-T57 VanDerWaalsContact CA-OG1 3.26Å; A12-T57 WeakPolarHBondContact CA-OG1 3.42Å; A12-T57 HydrophobicContact CB-CG2 3.58Å; A12-T57 WeakPolarHBondContact CB-OG1 3.36Å; D15-T57 WeakPolarHBondContact OD2-CB 3.25Å; D15-T57 PolarHBondContact OD2-N 3.49Å; D15-T57 PolarHBondContact OD2-OG1 3.24Å; V53-T57 HydrophobicContact CB-CG2 4.1Å; V53-T57 HydrophobicContact CG1-CG2 4.11Å; V53-T57 HydrophobicContact CG2-CG2 3.95Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 3.34Å; T57-H60 PolarHBondContact O-N 3.06Å; T57-L61 HydrophobicContact CG2-CD1 4.16Å; T57-L61 WeakPolarHBondContact O-CB 3.43Å; T57-L61 PolarHBondContact O-N 3.44Å; T57-L337 HydrophobicContact CG2-CD2 4.25Å
58V98.9Very high98.8Very high6 Ų622.8 Ų22.84%0.03611%0.105CC..Hα-helixtrans-60.4-45.6-179.61730000110.2S54 D55 D56 A62 C90 D93 M94 Y333S54-V58 WeakPolarHBondContact O-CG2 3.44Å; D55-V58 PolarHBondContact O-N 3.18Å; D56-V58 PolarHBondContact O-N 3.38Å; V58-A62 WeakPolarHBondContact O-CB 3.41Å; V58-A62 PolarHBondContact O-N 3.42Å; V58-C90 HydrophobicContact CG1-CB 3.8Å; V58-D93 HydrophobicContact CG1-CB 4.35Å; V58-M94 HydrophobicContact CB-CE 4.2Å; V58-M94 HydrophobicContact CB-SD 4.47Å; V58-M94 HydrophobicContact CG1-CE 3.74Å; V58-M94 HydrophobicContact CG1-SD 4.26Å; V58-Y333 HydrophobicContact CG2-CE2 4.37Å
59M98.9Very high98.8Very high0 Ų028.3 Ų28.30%013%0.131CC..Hα-helixtrans-73.2-35177.4-65.9-154.38200112.8D55 D56 T57 A62 T63 Y87 M91 M94 M133 R134D55-M59 WeakPolarHBondContact O-CB 3.42Å; D55-M59 WeakPolarHBondContact O-CG 3.46Å; D55-M59 PolarHBondContact O-N 2.83Å; D56-M59 PolarHBondContact O-N 3.22Å; T57-M59 VanDerWaalsContact C-N 3.32Å; T57-M59 PolarHBondContact O-N 3.34Å; M59-A62 WeakPolarHBondContact O-CB 3.36Å; M59-A62 PolarHBondContact O-N 2.94Å; M59-T63 PolarHBondContact O-N 3.31Å; M59-T63 PolarHBondContact O-OG1 3.36Å; M59-T63 VanDerWaalsContact O-OG1 3.1Å; M59-Y87 HydrophobicContact CE-CD1 3.93Å; M59-Y87 HydrophobicContact CE-CE1 4.44Å; M59-Y87 HydrophobicContact CE-CG 4.16Å; M59-M91 HydrophobicContact CE-CE 3.57Å; M59-M91 HydrophobicContact CG-CE 4.25Å; M59-M91 HydrophobicContact SD-CE 3.83Å; M59-M94 HydrophobicContact CG-CE 3.92Å; M59-M133 HydrophobicContact CB-CE 4.18Å; M59-M133 HydrophobicContact CG-CE 4.04Å; M59-M133 HydrophobicContact SD-CE 3.64Å; M59-R134 HydrophobicContact CB-CB 3.77Å; M59-R134 HydrophobicContact CB-CG 4.4Å
60H98.9Very high98.9Very high1 Ų127.4 Ų27.41%0.00512%0.12CC..Hα-helixtrans-66.1-39.2176.2-174.3-145.8000112.2M8 D56 T57 T63 A64 R134 C137M8-H60 VanDerWaalsContact SD-CE1 3.52Å; D56-H60 VanDerWaalsContact O-CB 3.28Å; D56-H60 WeakPolarHBondContact O-CB 3.26Å; D56-H60 PolarHBondContact O-N 3.01Å; T57-H60 PolarHBondContact O-N 3.06Å; H60-T63 PolarHBondContact O-N 2.91Å; H60-A64 WeakPolarHBondContact O-CB 3.43Å; H60-A64 PolarHBondContact O-N 2.98Å; H60-R134 HydrophobicContact CB-CB 4.43Å; H60-C137 VanDerWaalsContact CD2-SG 3.54Å; H60-C137 WeakPolarHBondContact NE2-CB 3.43Å; H60-C137 PolarHBondContact NE2-N 2.98Å
61L98.9Very high98.9Very high1 Ų117.6 Ų17.61%0.0059%0.089CC..Hα-helixtrans-61.7-45.9169.1-91.5169.8000111.4T57 T63 A64 E65 Y333 R336 L337T57-L61 HydrophobicContact CG2-CD1 4.16Å; T57-L61 WeakPolarHBondContact O-CB 3.43Å; T57-L61 PolarHBondContact O-N 3.44Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.33Å; L61-A64 PolarHBondContact O-N 3.13Å; L61-E65 WeakPolarHBondContact O-CB 3.28Å; L61-E65 VanDerWaalsContact O-CG 3.32Å; L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 3.08Å; L61-Y333 HydrophobicContact CD1-CD2 4.07Å; L61-Y333 HydrophobicContact CD1-CG 4.18Å; L61-R336 HydrophobicContact CD2-CG 4.4Å; L61-L337 HydrophobicContact CD1-CD2 3.94Å; L61-L337 HydrophobicContact CD1-CG 4.21Å; L61-L337 HydrophobicContact CD2-CD2 3.77Å; L61-L337 HydrophobicContact CD2-CG 4.29Å; L61-L337 HydrophobicContact CG-CD2 3.69Å; L61-L337 HydrophobicContact CG-CG 4.4Å
62A98.9Very high98.8Very high2 Ų223.5 Ų23.52%0.01712%0.115CC..Hα-helixtrans-56.7-42.8176.700000112.1V58 M59 A66 H86 Y87 C90V58-A62 WeakPolarHBondContact O-CB 3.41Å; V58-A62 PolarHBondContact O-N 3.42Å; M59-A62 WeakPolarHBondContact O-CB 3.36Å; M59-A62 PolarHBondContact O-N 2.94Å; A62-A66 WeakPolarHBondContact O-CB 3.43Å; A62-A66 PolarHBondContact O-N 3.4Å; A62-A66 VanDerWaalsContact O-N 3.17Å; A62-H86 HydrophobicContact CB-CB 4.04Å; A62-H86 WeakPolarHBondContact O-CB 3.39Å; A62-Y87 HydrophobicContact CB-CD1 4Å; A62-Y87 HydrophobicContact CB-CE1 4.36Å; A62-C90 HydrophobicContact CB-CB 4Å
63T99Very high98.7Very high0 Ų021.3 Ų21.30%012%0.117CC..Hα-helixtrans-62-48.3172.7-49.80000111.4M59 H60 L61 E65 A66 L67 L83 Y87 R134 C137 I138M59-T63 PolarHBondContact O-N 3.31Å; M59-T63 PolarHBondContact O-OG1 3.36Å; M59-T63 VanDerWaalsContact O-OG1 3.1Å; H60-T63 PolarHBondContact O-N 2.91Å; L61-T63 VanDerWaalsContact C-N 3.3Å; L61-T63 PolarHBondContact O-N 3.33Å; T63-E65 PolarHBondContact O-N 2.86Å; T63-A66 PolarHBondContact O-N 2.93Å; T63-L67 HydrophobicContact CG2-CD1 4.03Å; T63-L67 VanDerWaalsContact O-CG 3.25Å; T63-L67 WeakPolarHBondContact O-CG 3.35Å; T63-L67 PolarHBondContact O-N 3.35Å; T63-L83 HydrophobicContact CG2-CD2 3.87Å; T63-Y87 WeakPolarHBondContact OG1-CE1 3.32Å; T63-Y87 PolarHBondContact OG1-OH 3.19Å; T63-R134 VanDerWaalsContact CB-O 3.24Å; T63-R134 WeakPolarHBondContact CB-O 3.24Å; T63-R134 WeakPolarHBondContact CG2-O 3.28Å; T63-R134 PolarHBondContact OG1-O 3.46Å; T63-C137 WeakPolarHBondContact CG2-SG 3.36Å; T63-I138 HydrophobicContact CG2-CD1 4.21Å; T63-I138 HydrophobicContact CG2-CG1 3.95Å
64A98.9Very high98.6Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-64.7-41.2-174.900000112.3M8 H60 L61 L67 V68 C137 T340 L344M8-A64 HydrophobicContact CE-CB 3.75Å; H60-A64 WeakPolarHBondContact O-CB 3.43Å; H60-A64 PolarHBondContact O-N 2.98Å; L61-A64 PolarHBondContact O-N 3.13Å; A64-L67 PolarHBondContact O-N 3.36Å; A64-V68 WeakPolarHBondContact O-CG2 3.3Å; A64-V68 PolarHBondContact O-N 3.13Å; A64-C137 HydrophobicContact CB-CB 4.04Å; A64-T340 HydrophobicContact CB-CG2 3.48Å; A64-T340 VanDerWaalsContact CB-CG2 3.48Å; A64-L344 HydrophobicContact CB-CD1 3.95Å
65E98.9Very high98.6Very high36 Ų3627.4 Ų27.417%0.16815%0.145CC..Hα-helixtrans-67.4-43178-71.6174.8168.800111.4L61 T63 L67 V68 E69 H86 R336 T340L61-E65 WeakPolarHBondContact O-CB 3.28Å; L61-E65 VanDerWaalsContact O-CG 3.32Å; L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 3.08Å; T63-E65 PolarHBondContact O-N 2.86Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 2.86Å; E65-V68 PolarHBondContact O-N 3.24Å; E65-E69 WeakPolarHBondContact O-CB 3.1Å; E65-E69 PolarHBondContact O-N 3.47Å; E65-H86 IonicContact OE2-ND1 2.86Å; E65-R336 VanDerWaalsContact CD-NH2 3.31Å; E65-R336 IonicContact OE1-CZ 3.08Å; E65-R336 VanDerWaalsContact OE1-CZ 3.28Å; E65-R336 IonicContact OE1-NE 3.68Å; E65-R336 PolarHBondContact OE1-NE 3.34Å; E65-R336 IonicContact OE1-NH2 3.21Å; E65-R336 PolarHBondContact OE1-NH2 3.06Å; E65-R336 IonicContact OE2-CZ 3.92Å; E65-R336 IonicContact OE2-NE 2.86Å; E65-R336 IonicContact OE2-NH2 2.78Å; E65-R336 PolarHBondContact OE2-NH2 2.9Å; E65-T340 HydrophobicContact CG-CG2 4.28Å
66A98.9Very high98.5Very high0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-60.3-40.1173.400000112.7A62 T63 A70 L82 L83 H86A62-A66 WeakPolarHBondContact O-CB 3.43Å; A62-A66 PolarHBondContact O-N 3.4Å; A62-A66 VanDerWaalsContact O-N 3.17Å; T63-A66 PolarHBondContact O-N 2.93Å; A66-A70 WeakPolarHBondContact O-CB 3.48Å; A66-A70 PolarHBondContact O-N 3.33Å; A66-L82 HydrophobicContact CB-CB 3.98Å; A66-L83 HydrophobicContact CB-CB 4.45Å; A66-L83 HydrophobicContact CB-CD2 3.72Å; A66-L83 HydrophobicContact CB-CG 3.9Å; A66-H86 HydrophobicContact CB-CB 4.3Å
67L98.9Very high98.5Very high1 Ų130.7 Ų30.71%0.00517%0.165CC..Hα-helixtrans-65.6-39.1175.8-70.1165.1000112.1T63 A64 E65 L79 C137 I138 R141 F142 V154 L344T63-L67 HydrophobicContact CG2-CD1 4.03Å; T63-L67 VanDerWaalsContact O-CG 3.25Å; T63-L67 WeakPolarHBondContact O-CG 3.35Å; T63-L67 PolarHBondContact O-N 3.35Å; A64-L67 PolarHBondContact O-N 3.36Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 2.86Å; L67-L79 HydrophobicContact CD2-CD1 3.89Å; L67-L79 HydrophobicContact CD2-CD2 4.14Å; L67-L79 HydrophobicContact CG-CD1 4.49Å; L67-C137 HydrophobicContact CD1-CB 4.39Å; L67-I138 HydrophobicContact CD1-CG1 4Å; L67-R141 HydrophobicContact CB-CG 4.39Å; L67-R141 HydrophobicContact CD1-CB 4.17Å; L67-R141 HydrophobicContact CD2-CB 4.34Å; L67-R141 HydrophobicContact CD2-CG 4.06Å; L67-F142 HydrophobicContact CD2-CE2 3.94Å; L67-V154 HydrophobicContact CD2-CG1 4.41Å; L67-L344 HydrophobicContact CB-CD2 3.98Å; L67-L344 HydrophobicContact CD1-CD2 4.45Å
68V98.9Very high98.5Very high43 Ų4335.1 Ų35.126%0.26119%0.186SC..Hα-helixtrans-67.4-46.6176.2167.50000110.9A64 E65 A70 G71 T340 A343 L344A64-V68 WeakPolarHBondContact O-CG2 3.3Å; A64-V68 PolarHBondContact O-N 3.13Å; E65-V68 PolarHBondContact O-N 3.24Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.48Å; V68-G71 PolarHBondContact O-N 3.16Å; V68-T340 HydrophobicContact CG2-CG2 4.12Å; V68-A343 HydrophobicContact CB-CB 4.34Å; V68-A343 HydrophobicContact CG1-CB 3.63Å; V68-A343 HydrophobicContact CG2-CB 3.66Å; V68-L344 HydrophobicContact CG2-CD2 3.85Å; V68-L344 HydrophobicContact CG2-CG 3.8Å
69E98.8Very high98.5Very high117 Ų11734.9 Ų34.955%0.54718%0.184SC..Hα-helixtrans-64.8-34.7-179.5-174.2177.8170.900112.2E65 G71 L82 H86E65-E69 WeakPolarHBondContact O-CB 3.1Å; E65-E69 PolarHBondContact O-N 3.47Å; E69-G71 PolarHBondContact O-N 3.46Å; E69-L82 HydrophobicContact CB-CD1 4.01Å; E69-L82 HydrophobicContact CG-CD1 3.88Å; E69-L82 HydrophobicContact CG-CD2 3.98Å; E69-L82 VanDerWaalsContact OE1-CD2 3.23Å; E69-L82 WeakPolarHBondContact OE1-CD2 3.42Å; E69-H86 IonicContact OE2-CD2 2.75Å; E69-H86 IonicContact OE2-CE1 3.75Å; E69-H86 IonicContact OE2-NE2 2.95Å; E69-H86 PolarHBondContact OE2-NE2 3.19Å
70A98.6Very high98.5Very high17 Ų1734.9 Ų34.914%0.1418%0.184CC..Hα-helixtrans-63.2-26.1173.700000112.9A66 V68 P74 L79 L82A66-A70 WeakPolarHBondContact O-CB 3.48Å; A66-A70 PolarHBondContact O-N 3.33Å; V68-A70 VanDerWaalsContact C-N 3.32Å; V68-A70 PolarHBondContact O-N 3.48Å; A70-P74 HydrophobicContact CB-CB 3.91Å; A70-L79 HydrophobicContact CB-CB 4.18Å; A70-L79 HydrophobicContact CB-CD1 3.75Å; A70-L82 HydrophobicContact CB-CD1 3.93Å
71G98.3Very high98.5Very high18 Ų1838.8 Ų38.819%0.18620%0.199CC..  trans72.6-148.8171.400000115V68 E69 R141V68-G71 PolarHBondContact O-N 3.16Å; E69-G71 PolarHBondContact O-N 3.46Å; G71-R141 PolarHBondContact O-NH2 2.96Å
72K97.9Very high98.5Very high147 Ų14738.8 Ų38.864%0.63920%0.199SC*.SBendtrans-87.6142.7-177.6-65.9-179.5-178.6172.60111.4P74 L347K72-P74 VanDerWaalsContact C-CD 3.49Å; K72-P74 VanDerWaalsContact C-N 3.32Å; K72-L347 HydrophobicContact CG-CD2 3.58Å
73A95.9Very high98.5Very high49 Ų4938.7 Ų38.741%0.40520%0.199SC..SBendtrans43.652.1-179.100000112.8D352 T353A73-D352 PolarHBondContact N-OD2 3.13Å; A73-T353 WeakPolarHBondContact CA-O 3.45Å; A73-T353 WeakPolarHBondContact CB-O 3.26Å
74P96.7Very high98.5Very high6 Ų638.7 Ų38.74%0.03920%0.199CC..  trans-67.4152-17128.8-36.3000112.1A70 K72 V354 I355A70-P74 HydrophobicContact CB-CB 3.91Å; K72-P74 VanDerWaalsContact C-CD 3.49Å; K72-P74 VanDerWaalsContact C-N 3.32Å; P74-V354 HydrophobicContact CG-CG1 3.91Å; P74-V354 WeakPolarHBondContact O-CA 3.24Å; P74-V354 WeakPolarHBondContact O-CB 3.37Å; P74-I355 PolarHBondContact O-N 2.76Å
75K98.6Very high98.5Very high122 Ų12242.1 Ų42.153%0.5321%0.214SC..BIsolated β-bridgetrans-75.9131.3160.7-66.1-179.8178-178.80109T77 Q78 L79 I355K75-T77 PolarHBondContact O-N 2.88Å; K75-Q78 HydrophobicContact CB-CB 4.32Å; K75-Q78 WeakPolarHBondContact O-CB 3.25Å; K75-Q78 PolarHBondContact O-N 2.77Å; K75-L79 PolarHBondContact O-N 2.65Å; K75-I355 HydrophobicContact CB-CB 4.49Å; K75-I355 HydrophobicContact CG-CB 3.96Å; K75-I355 HydrophobicContact CG-CD1 3.68Å; K75-I355 HydrophobicContact CG-CG1 4.4Å; K75-I355 HydrophobicContact CG-CG2 4.27Å
76L98.4Very high98.5Very high0 Ų042 Ų420%021%0.213CC..Hα-helixtrans-61.1-32.7179.1-69.6-170.8000112.5Q78 L79 Y80 V154 V354 I355 L357L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 2.9Å; L76-L79 HydrophobicContact CD2-CD2 4.22Å; L76-L79 PolarHBondContact O-N 3.06Å; L76-Y80 HydrophobicContact CB-CD2 4.33Å; L76-Y80 HydrophobicContact CB-CE2 3.83Å; L76-Y80 HydrophobicContact CD1-CE2 4.44Å; L76-Y80 WeakPolarHBondContact O-CB 3.11Å; L76-Y80 WeakPolarHBondContact O-CD2 3.08Å; L76-Y80 PolarHBondContact O-N 3.24Å; L76-V154 HydrophobicContact CD2-CG2 3.81Å; L76-V354 HydrophobicContact CD1-CG2 4.45Å; L76-V354 HydrophobicContact CD2-CB 4.13Å; L76-V354 HydrophobicContact CD2-CG1 4.36Å; L76-V354 HydrophobicContact CD2-CG2 4.08Å; L76-V354 HydrophobicContact CG-CB 4.44Å; L76-V354 HydrophobicContact CG-CG2 4.19Å; L76-I355 PolarHBondContact N-O 3.46Å; L76-L357 HydrophobicContact CB-CD2 4.02Å; L76-L357 HydrophobicContact CB-CG 4.1Å; L76-L357 HydrophobicContact CD1-CG 4.46Å
77T98.1Very high98.5Very high79 Ų7942 Ų4249%0.48521%0.213SC..Hα-helixtrans-60.3-39.5173.449.90000113K75 Y81 L357K75-T77 PolarHBondContact O-N 2.88Å; T77-Y81 PolarHBondContact O-N 3.05Å; T77-Y81 VanDerWaalsContact O-N 3.13Å; T77-L357 HydrophobicContact CG2-CD2 3.59Å
78Q98.6Very high98.5Very high93 Ų9344 Ų4444%0.43522%0.223SC..Hα-helixtrans-70.6-44.9175.6-177.862.326.600110.9K75 L76 Y80 Y81 L82K75-Q78 HydrophobicContact CB-CB 4.32Å; K75-Q78 WeakPolarHBondContact O-CB 3.25Å; K75-Q78 PolarHBondContact O-N 2.77Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 2.9Å; Q78-Y80 VanDerWaalsContact C-N 3.34Å; Q78-Y80 PolarHBondContact O-N 2.97Å; Q78-Y81 WeakPolarHBondContact O-CB 3.22Å; Q78-Y81 PolarHBondContact O-N 2.76Å; Q78-L82 HydrophobicContact CG-CD1 4.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.33Å; Q78-L82 PolarHBondContact O-N 2.94Å
79L98.8Very high98.4Very high1 Ų145 Ų451%0.00523%0.226CC..Hα-helixtrans-60-43.4177.8175.358.2000111.7L67 A70 K75 L76 L82 L83 V154L67-L79 HydrophobicContact CD2-CD1 3.89Å; L67-L79 HydrophobicContact CD2-CD2 4.14Å; L67-L79 HydrophobicContact CG-CD1 4.49Å; A70-L79 HydrophobicContact CB-CB 4.18Å; A70-L79 HydrophobicContact CB-CD1 3.75Å; K75-L79 PolarHBondContact O-N 2.65Å; L76-L79 HydrophobicContact CD2-CD2 4.22Å; L76-L79 PolarHBondContact O-N 3.06Å; L79-L82 PolarHBondContact O-N 3.33Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CG 4.12Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 HydrophobicContact CG-CG 4.5Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 3.34Å; L79-V154 HydrophobicContact CD2-CG1 3.94Å; L79-V154 HydrophobicContact CD2-CG2 3.85Å
80Y98.8Very high98.4Very high0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-71.7-30.1179-60.5-33.3000113.4L76 Q78 L83 A84 W118 V154 E157 M161 L357L76-Y80 HydrophobicContact CB-CD2 4.33Å; L76-Y80 HydrophobicContact CB-CE2 3.83Å; L76-Y80 HydrophobicContact CD1-CE2 4.44Å; L76-Y80 WeakPolarHBondContact O-CB 3.11Å; L76-Y80 WeakPolarHBondContact O-CD2 3.08Å; L76-Y80 PolarHBondContact O-N 3.24Å; Q78-Y80 VanDerWaalsContact C-N 3.34Å; Q78-Y80 PolarHBondContact O-N 2.97Å; Y80-L83 HydrophobicContact CD1-CD1 3.99Å; Y80-L83 HydrophobicContact CE1-CD1 4.46Å; Y80-A84 VanDerWaalsContact O-CB 3.26Å; Y80-A84 WeakPolarHBondContact O-CB 3.46Å; Y80-A84 PolarHBondContact O-N 3Å; Y80-A84 VanDerWaalsContact O-N 3.08Å; Y80-W118 AromaticContact CD2-CH2 3.52Å; Y80-W118 HydrophobicContact CD2-CH2 3.52Å; Y80-W118 AromaticContact CD2-CZ2 3.39Å; Y80-W118 HydrophobicContact CD2-CZ2 3.39Å; Y80-W118 HydrophobicContact CD2-CZ3 4.33Å; Y80-W118 HydrophobicContact CE2-CH2 4.03Å; Y80-W118 HydrophobicContact CE2-CZ2 4.27Å; Y80-W118 HydrophobicContact CG-CH2 4.08Å; Y80-W118 AromaticContact CG-CZ2 3.92Å; Y80-W118 HydrophobicContact CG-CZ2 3.92Å; Y80-V154 HydrophobicContact CE1-CG2 4.26Å; Y80-E157 HydrophobicContact CD1-CB 4.19Å; Y80-E157 HydrophobicContact CE1-CB 3.6Å; Y80-E157 HydrophobicContact CE1-CG 4.21Å; Y80-E157 HydrophobicContact CE2-CB 4.21Å; Y80-E157 HydrophobicContact CE2-CG 4Å; Y80-M161 HydrophobicContact CD1-CE 3.96Å; Y80-M161 HydrophobicContact CG-CE 4.18Å; Y80-L357 HydrophobicContact CD2-CD1 4.24Å; Y80-L357 HydrophobicContact CD2-CD2 3.92Å; Y80-L357 HydrophobicContact CD2-CG 4.34Å; Y80-L357 HydrophobicContact CE2-CD1 3.71Å; Y80-L357 HydrophobicContact CE2-CD2 3.92Å; Y80-L357 HydrophobicContact CE2-CG 3.83Å
81Y98.8Very high98.4Very high82 Ų8240.4 Ų40.432%0.32220%0.204SC..Hα-helixtrans-59.4-49.1166.8162.7-100.8000111.2T77 Q78 A84 K85 P112T77-Y81 PolarHBondContact O-N 3.05Å; T77-Y81 VanDerWaalsContact O-N 3.13Å; Q78-Y81 WeakPolarHBondContact O-CB 3.22Å; Q78-Y81 PolarHBondContact O-N 2.76Å; Y81-A84 PolarHBondContact O-N 3.07Å; Y81-K85 WeakPolarHBondContact O-CB 3.36Å; Y81-K85 PolarHBondContact O-N 3.36Å; Y81-P112 HydrophobicContact CD2-CB 3.89Å; Y81-P112 HydrophobicContact CE2-CB 3.92Å
82L98.9Very high98.5Very high1 Ų148.1 Ų48.11%0.00524%0.235CC..Hα-helixtrans-64.4-48-178.9-68.7172.4000111.6A66 E69 A70 Q78 L79 A84 K85 H86A66-L82 HydrophobicContact CB-CB 3.98Å; E69-L82 HydrophobicContact CB-CD1 4.01Å; E69-L82 HydrophobicContact CG-CD1 3.88Å; E69-L82 HydrophobicContact CG-CD2 3.98Å; E69-L82 VanDerWaalsContact OE1-CD2 3.23Å; E69-L82 WeakPolarHBondContact OE1-CD2 3.42Å; A70-L82 HydrophobicContact CB-CD1 3.93Å; Q78-L82 HydrophobicContact CG-CD1 4.24Å; Q78-L82 WeakPolarHBondContact O-CG 3.33Å; Q78-L82 PolarHBondContact O-N 2.94Å; L79-L82 PolarHBondContact O-N 3.33Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.25Å; L82-K85 PolarHBondContact O-N 3.44Å; L82-H86 WeakPolarHBondContact O-CB 3.27Å; L82-H86 PolarHBondContact O-CD2 2.96Å; L82-H86 VanDerWaalsContact O-CD2 3.24Å; L82-H86 PolarHBondContact O-N 2.87Å
83L98.9Very high98.5Very high0 Ų043.3 Ų43.30%022%0.216CC..Hα-helixtrans-56.4-47.4176.8-78.2166.1000111.6T63 A66 L79 Y80 K85 H86 Y87 V154 M161T63-L83 HydrophobicContact CG2-CD2 3.87Å; A66-L83 HydrophobicContact CB-CB 4.45Å; A66-L83 HydrophobicContact CB-CD2 3.72Å; A66-L83 HydrophobicContact CB-CG 3.9Å; L79-L83 HydrophobicContact CD1-CD1 4.03Å; L79-L83 HydrophobicContact CD1-CG 4.12Å; L79-L83 HydrophobicContact CG-CD1 3.95Å; L79-L83 HydrophobicContact CG-CG 4.5Å; L79-L83 WeakPolarHBondContact O-CG 3.42Å; L79-L83 PolarHBondContact O-N 3.34Å; Y80-L83 HydrophobicContact CD1-CD1 3.99Å; Y80-L83 HydrophobicContact CE1-CD1 4.46Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.19Å; L83-H86 PolarHBondContact O-N 3.48Å; L83-Y87 HydrophobicContact CB-CE2 4.35Å; L83-Y87 HydrophobicContact CD2-CE1 4.48Å; L83-Y87 HydrophobicContact CD2-CE2 4.44Å; L83-Y87 WeakPolarHBondContact O-CB 3.43Å; L83-Y87 WeakPolarHBondContact O-CD2 2.96Å; L83-Y87 PolarHBondContact O-N 3.04Å; L83-V154 HydrophobicContact CD1-CG1 4.42Å; L83-M161 HydrophobicContact CB-CE 3.9Å; L83-M161 HydrophobicContact CB-SD 3.95Å; L83-M161 HydrophobicContact CD1-CE 4.48Å
84A98.9Very high98.6Very high0 Ų041.8 Ų41.80%020%0.201CC..Hα-helixtrans-64.6-37.7179.300000113Y80 Y81 L82 Q88 L110 P112 W118 M161Y80-A84 VanDerWaalsContact O-CB 3.26Å; Y80-A84 WeakPolarHBondContact O-CB 3.46Å; Y80-A84 PolarHBondContact O-N 3Å; Y80-A84 VanDerWaalsContact O-N 3.08Å; Y81-A84 PolarHBondContact O-N 3.07Å; L82-A84 VanDerWaalsContact C-N 3.33Å; L82-A84 PolarHBondContact O-N 3.25Å; A84-Q88 WeakPolarHBondContact O-CB 3.41Å; A84-Q88 PolarHBondContact O-N 2.84Å; A84-Q88 VanDerWaalsContact O-N 3.1Å; A84-L110 HydrophobicContact CB-CB 4.5Å; A84-L110 HydrophobicContact CB-CD1 3.9Å; A84-P112 HydrophobicContact CB-CB 4.24Å; A84-W118 HydrophobicContact CB-CB 3.47Å; A84-W118 VanDerWaalsContact CB-CB 3.47Å; A84-W118 HydrophobicContact CB-CG 4.43Å; A84-M161 HydrophobicContact CB-SD 4.12Å
85K98.9Very high98.7Very high73 Ų7348.2 Ų48.232%0.31724%0.235SC..Hα-helixtrans-64.8-51.9174.5176.5169.7171.9490111.2Y81 L82 L83 Y87 Q88 D89 P112Y81-K85 WeakPolarHBondContact O-CB 3.36Å; Y81-K85 PolarHBondContact O-N 3.36Å; L82-K85 PolarHBondContact O-N 3.44Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.19Å; K85-Y87 VanDerWaalsContact C-N 3.35Å; K85-Y87 PolarHBondContact O-N 2.96Å; K85-Q88 PolarHBondContact O-N 2.88Å; K85-Q88 VanDerWaalsContact O-N 3.17Å; K85-D89 WeakPolarHBondContact CE-OD2 3.46Å; K85-D89 WeakPolarHBondContact CG-OD2 3.47Å; K85-D89 IonicContact NZ-OD1 2.86Å; K85-D89 IonicContact NZ-OD2 3.09Å; K85-D89 PolarHBondContact NZ-OD2 3.27Å; K85-D89 WeakPolarHBondContact O-CB 3.3Å; K85-D89 PolarHBondContact O-N 3.41Å; K85-P112 HydrophobicContact CB-CB 4.15Å; K85-P112 HydrophobicContact CB-CG 4.35Å
86H98.9Very high98.7Very high32 Ų3244.2 Ų44.215%0.14823%0.229CC..Hα-helixtrans-61.9-40-179.8-84.5-89.6000112.2A62 E65 A66 E69 L82 L83 C90A62-H86 HydrophobicContact CB-CB 4.04Å; A62-H86 WeakPolarHBondContact O-CB 3.39Å; E65-H86 IonicContact OE2-ND1 2.86Å; A66-H86 HydrophobicContact CB-CB 4.3Å; E69-H86 IonicContact OE2-CD2 2.75Å; E69-H86 IonicContact OE2-CE1 3.75Å; E69-H86 IonicContact OE2-NE2 2.95Å; E69-H86 PolarHBondContact OE2-NE2 3.19Å; L82-H86 WeakPolarHBondContact O-CB 3.27Å; L82-H86 PolarHBondContact O-CD2 2.96Å; L82-H86 VanDerWaalsContact O-CD2 3.24Å; L82-H86 PolarHBondContact O-N 2.87Å; L83-H86 PolarHBondContact O-N 3.48Å; H86-C90 VanDerWaalsContact O-CB 3.23Å; H86-C90 WeakPolarHBondContact O-CB 3.29Å; H86-C90 PolarHBondContact O-N 2.95Å; H86-C90 PolarHBondContact O-SG 2.95Å; H86-C90 VanDerWaalsContact O-SG 3.39Å
87Y98.9Very high98.7Very high0 Ų044.7 Ų44.70%023%0.231CC..Hα-helixtrans-65.9-36.2174.2-66.7-22.6000113.6M59 A62 T63 L83 K85 C90 M91 A107 R134 S158 M161M59-Y87 HydrophobicContact CE-CD1 3.93Å; M59-Y87 HydrophobicContact CE-CE1 4.44Å; M59-Y87 HydrophobicContact CE-CG 4.16Å; A62-Y87 HydrophobicContact CB-CD1 4Å; A62-Y87 HydrophobicContact CB-CE1 4.36Å; T63-Y87 WeakPolarHBondContact OG1-CE1 3.32Å; T63-Y87 PolarHBondContact OG1-OH 3.19Å; L83-Y87 HydrophobicContact CB-CE2 4.35Å; L83-Y87 HydrophobicContact CD2-CE1 4.48Å; L83-Y87 HydrophobicContact CD2-CE2 4.44Å; L83-Y87 WeakPolarHBondContact O-CB 3.43Å; L83-Y87 WeakPolarHBondContact O-CD2 2.96Å; L83-Y87 PolarHBondContact O-N 3.04Å; K85-Y87 VanDerWaalsContact C-N 3.35Å; K85-Y87 PolarHBondContact O-N 2.96Å; Y87-C90 PolarHBondContact O-SG 2.75Å; Y87-C90 VanDerWaalsContact O-SG 3.41Å; Y87-M91 WeakPolarHBondContact O-CE 3.34Å; Y87-M91 WeakPolarHBondContact O-CG 3.47Å; Y87-A107 WeakPolarHBondContact O-CB 3.38Å; Y87-R134 PolarHBondContact OH-NE 2.72Å; Y87-S158 WeakPolarHBondContact CE2-O 3.4Å; Y87-M161 HydrophobicContact CD2-CB 4.33Å; Y87-M161 HydrophobicContact CD2-SD 3.83Å; Y87-M161 HydrophobicContact CE2-CB 4.48Å; Y87-M161 HydrophobicContact CE2-SD 3.83Å
88Q98.8Very high98.7Very high45 Ų4542.8 Ų42.821%0.2122%0.223CC..Hα-helixtrans-70.4-47.9176175.3162.780.500111.3A84 K85 M91 A107 M108 L110A84-Q88 WeakPolarHBondContact O-CB 3.41Å; A84-Q88 PolarHBondContact O-N 2.84Å; A84-Q88 VanDerWaalsContact O-N 3.1Å; K85-Q88 PolarHBondContact O-N 2.88Å; K85-Q88 VanDerWaalsContact O-N 3.17Å; Q88-M91 WeakPolarHBondContact O-CB 3.3Å; Q88-M91 PolarHBondContact O-N 2.78Å; Q88-A107 PolarHBondContact NE2-O 3.02Å; Q88-M108 WeakPolarHBondContact O-CE 3.3Å; Q88-L110 PolarHBondContact NE2-O 3.29Å
89D98.8Very high98.6Very high64 Ų6440 Ų4034%0.34221%0.213SC..Hα-helixtrans-69-37.3-175.8-65.3-7.4000111.7K85 M91 E92K85-D89 WeakPolarHBondContact CE-OD2 3.46Å; K85-D89 WeakPolarHBondContact CG-OD2 3.47Å; K85-D89 IonicContact NZ-OD1 2.86Å; K85-D89 IonicContact NZ-OD2 3.09Å; K85-D89 PolarHBondContact NZ-OD2 3.27Å; K85-D89 WeakPolarHBondContact O-CB 3.3Å; K85-D89 PolarHBondContact O-N 3.41Å; D89-M91 PolarHBondContact O-N 2.83Å; D89-M91 VanDerWaalsContact O-N 3.11Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 VanDerWaalsContact O-N 3.16Å
90C98.8Very high98.5Very high20 Ų2041.5 Ų41.514%0.13523%0.229CC..G310 helixtrans-66.7-16.1-176.977.70000113.8V58 A62 H86 Y87 E92 D93V58-C90 HydrophobicContact CG1-CB 3.8Å; A62-C90 HydrophobicContact CB-CB 4Å; H86-C90 VanDerWaalsContact O-CB 3.23Å; H86-C90 WeakPolarHBondContact O-CB 3.29Å; H86-C90 PolarHBondContact O-N 2.95Å; H86-C90 PolarHBondContact O-SG 2.95Å; H86-C90 VanDerWaalsContact O-SG 3.39Å; Y87-C90 PolarHBondContact O-SG 2.75Å; Y87-C90 VanDerWaalsContact O-SG 3.41Å; C90-E92 PolarHBondContact O-N 2.89Å; C90-D93 PolarHBondContact O-N 2.8Å
91M98.6Very high98.5Very high17 Ų1748 Ų488%0.08426%0.264CS..G310 helixtrans-65.3-16.7175.6-64.7-64.9140.900113.2M59 Y87 Q88 D89 D93 M94 M104 A107 M108M59-M91 HydrophobicContact CE-CE 3.57Å; M59-M91 HydrophobicContact CG-CE 4.25Å; M59-M91 HydrophobicContact SD-CE 3.83Å; Y87-M91 WeakPolarHBondContact O-CE 3.34Å; Y87-M91 WeakPolarHBondContact O-CG 3.47Å; Q88-M91 WeakPolarHBondContact O-CB 3.3Å; Q88-M91 PolarHBondContact O-N 2.78Å; D89-M91 PolarHBondContact O-N 2.83Å; D89-M91 VanDerWaalsContact O-N 3.11Å; M91-D93 PolarHBondContact O-N 3.38Å; M91-M94 HydrophobicContact CE-CE 3.64Å; M91-M94 WeakPolarHBondContact O-CG 3.41Å; M91-M94 HydrophobicContact SD-CE 3.71Å; M91-M94 HydrophobicContact SD-CG 4.14Å; M91-M104 HydrophobicContact SD-CB 4.11Å; M91-M104 HydrophobicContact SD-CG 4.21Å; M91-A107 HydrophobicContact CE-CB 3.74Å; M91-A107 HydrophobicContact CG-CB 3.83Å; M91-A107 HydrophobicContact SD-CB 4.24Å; M91-M108 HydrophobicContact CB-CE 3.12Å; M91-M108 HydrophobicContact CG-CE 3.61Å
92E98.4Very high98.4Very high180 Ų18045.2 Ų45.284%0.84126%0.257SS*.G310 helixtrans-67.6-18.2171.2-63.8-175.2173.800112.6D89 C90D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 VanDerWaalsContact O-N 3.16Å; C90-E92 PolarHBondContact O-N 2.89Å
93D98.6Very high98.3Very high45 Ų4545.2 Ų45.224%0.24126%0.258CS..G310 helixtrans-105.537.4-179.2-175.827.4000112.2V58 C90 M91 R97 Y333V58-D93 HydrophobicContact CG1-CB 4.35Å; C90-D93 PolarHBondContact O-N 2.8Å; M91-D93 PolarHBondContact O-N 3.38Å; D93-R97 WeakPolarHBondContact O-CD 3.19Å; D93-R97 PolarHBondContact O-NE 3.46Å; D93-R97 IonicContact OD1-CZ 3.15Å; D93-R97 IonicContact OD1-NE 2.71Å; D93-R97 PolarHBondContact OD1-NE 3.4Å; D93-R97 IonicContact OD1-NH2 3.9Å; D93-R97 PolarHBondContact OD1-NH2 3.47Å; D93-R97 IonicContact OD2-NH2 2.88Å; D93-Y333 PolarHBondContact OD1-OH 3.07Å; D93-Y333 VanDerWaalsContact OD2-CZ 3.29Å; D93-Y333 PolarHBondContact OD2-OH 3Å
94M98.7Very high98.3Very high17 Ų1749.2 Ų49.28%0.08428%0.277CS..  trans-104.65.4-177.1-64.8-62.5-176.800114.6D55 V58 M59 M91 G96 R97 P99D55-M94 HydrophobicContact CB-CE 3.89Å; D55-M94 HydrophobicContact CB-SD 3.49Å; D55-M94 WeakPolarHBondContact CB-SD 3.48Å; V58-M94 HydrophobicContact CB-CE 4.2Å; V58-M94 HydrophobicContact CB-SD 4.47Å; V58-M94 HydrophobicContact CG1-CE 3.74Å; V58-M94 HydrophobicContact CG1-SD 4.26Å; M59-M94 HydrophobicContact CG-CE 3.92Å; M91-M94 HydrophobicContact CE-CE 3.64Å; M91-M94 WeakPolarHBondContact O-CG 3.41Å; M91-M94 HydrophobicContact SD-CE 3.71Å; M91-M94 HydrophobicContact SD-CG 4.14Å; M94-G96 PolarHBondContact O-N 3.28Å; M94-R97 PolarHBondContact O-N 3.33Å; M94-R97 VanDerWaalsContact O-N 3.09Å; M94-P99 HydrophobicContact CB-CB 4.39Å; M94-P99 HydrophobicContact CB-CG 3.9Å; M94-P99 HydrophobicContact CG-CB 4.2Å; M94-P99 HydrophobicContact CG-CG 4.22Å; M94-P99 HydrophobicContact SD-CB 3.96Å; M94-P99 HydrophobicContact SD-CG 4.48Å
95D98.4Very high98.2Very high141 Ų14154.2 Ų54.275%0.75430%0.3SS*.THydrogen-bonded Turntrans-62.4119.5-177.1-176.849.4000112.4R52 R97R52-D95 PolarHBondContact NH1-O 2.68Å; D95-R97 PolarHBondContact O-N 3.4Å
96G98.2Very high98.2Very high39 Ų3951 Ų5140%0.40229%0.286SS..THydrogen-bonded Turntrans60.130.2-176.500000113.8Y19 R52 M94Y19-G96 PolarHBondContact OH-O 3.09Å; R52-G96 WeakPolarHBondContact CD-O 3.48Å; M94-G96 PolarHBondContact O-N 3.28Å
97R98.7Very high98.2Very high10 Ų1049.4 Ų49.44%0.03828%0.279CS..SBendtrans-113.41.8177.5-56.5-164.2-164.6-84.90.8114.7Y19 V53 D55 D93 M94 D95 E332 Y333Y19-R97 WeakPolarHBondContact OH-CA 3.41Å; V53-R97 PolarHBondContact O-NH1 2.86Å; D55-R97 PolarHBondContact N-O 2.64Å; D93-R97 WeakPolarHBondContact O-CD 3.19Å; D93-R97 PolarHBondContact O-NE 3.46Å; D93-R97 IonicContact OD1-CZ 3.15Å; D93-R97 IonicContact OD1-NE 2.71Å; D93-R97 PolarHBondContact OD1-NE 3.4Å; D93-R97 IonicContact OD1-NH2 3.9Å; D93-R97 PolarHBondContact OD1-NH2 3.47Å; D93-R97 IonicContact OD2-NH2 2.88Å; M94-R97 PolarHBondContact O-N 3.33Å; M94-R97 VanDerWaalsContact O-N 3.09Å; D95-R97 PolarHBondContact O-N 3.4Å; R97-E332 IonicContact CZ-OE1 2.73Å; R97-E332 IonicContact CZ-OE2 2.85Å; R97-E332 VanDerWaalsContact NH1-CD 3.33Å; R97-E332 IonicContact NH1-OE1 2.74Å; R97-E332 PolarHBondContact NH1-OE1 3.41Å; R97-E332 IonicContact NH1-OE2 3.72Å; R97-E332 PolarHBondContact NH1-OE2 3.44Å; R97-E332 IonicContact NH2-OE1 3.16Å; R97-E332 PolarHBondContact NH2-OE1 3.44Å; R97-E332 IonicContact NH2-OE2 3.38Å; R97-Y333 PolarHBondContact NH2-OH 3.37Å; R97-Y333 VanDerWaalsContact NH2-OH 3.08Å
98A97.8Very high98.2Very high39 Ų3953.7 Ų53.732%0.32230%0.3SS..  trans53.548.9175.500000116.7Y19 F26 G100Y19-A98 HydrophobicContact CE2-CB 4.2Å; F26-A98 HydrophobicContact CE2-CB 4.05Å; F26-A98 HydrophobicContact CZ-CB 3.76Å; A98-G100 PolarHBondContact O-N 3.09Å
99P97.5Very high98.2Very high34 Ų3455.9 Ų55.922%0.22131%0.311CS..  trans-60.2138.8-173.430-39.5000114.4D55 M94 M104D55-P99 HydrophobicContact CB-CB 3.96Å; D55-P99 VanDerWaalsContact CG-CA 3.47Å; D55-P99 WeakPolarHBondContact OD2-CA 3.33Å; M94-P99 HydrophobicContact CB-CB 4.39Å; M94-P99 HydrophobicContact CB-CG 3.9Å; M94-P99 HydrophobicContact CG-CB 4.2Å; M94-P99 HydrophobicContact CG-CG 4.22Å; M94-P99 HydrophobicContact SD-CB 3.96Å; M94-P99 HydrophobicContact SD-CG 4.48Å; P99-M104 HydrophobicContact CB-CB 4.45Å
100G97.1Very high98.2Very high33 Ų3353 Ų5334%0.3430%0.295SS..  trans-59138.4174.700000113.2D55 A98 A102 S103 M104D55-G100 PolarHBondContact OD2-N 3Å; A98-G100 PolarHBondContact O-N 3.09Å; G100-A102 PolarHBondContact O-N 2.95Å; G100-S103 WeakPolarHBondContact O-CB 3.39Å; G100-S103 PolarHBondContact O-N 3.43Å; G100-S103 VanDerWaalsContact O-N 3.17Å; G100-M104 PolarHBondContact O-N 3.43Å
101N96.9Very high98.1Very high136 Ų13657 Ų5773%0.72731%0.31SS*.Hα-helixtrans-55.9-45.6-175.5-75.2-40.8000113.7H105N101-H105 WeakPolarHBondContact O-CB 3.48Å; N101-H105 PolarHBondContact O-N 2.92Å
102A97.2Very high98.1Very high23 Ų2357.9 Ų57.919%0.1932%0.317CS..Hα-helixtrans-66.5-41.3179.900000111.7G100 N106 E126G100-A102 PolarHBondContact O-N 2.95Å; A102-N106 VanDerWaalsContact O-CB 3.3Å; A102-N106 WeakPolarHBondContact O-CB 3.42Å; A102-N106 PolarHBondContact O-N 3.08Å; A102-N106 PolarHBondContact O-ND2 3.19Å; A102-E126 HydrophobicContact CB-CG 4.35Å
103S98Very high97.9Very high2 Ų252.3 Ų52.31%0.01431%0.308CS..Hα-helixtrans-57.2-54.9175.1-64.80000110.9G100 A107 H163G100-S103 WeakPolarHBondContact O-CB 3.39Å; G100-S103 PolarHBondContact O-N 3.43Å; G100-S103 VanDerWaalsContact O-N 3.17Å; S103-A107 WeakPolarHBondContact O-CB 3.39Å; S103-A107 PolarHBondContact O-N 3.08Å; S103-H163 PolarHBondContact OG-CE1 3.28Å
104M97.7Very high97.9Very high83 Ų8357 Ų5741%0.40933%0.326SS..Hα-helixtrans-68-47.1-176.2-174.5-96.3-7300112.5M91 P99 G100 M108M91-M104 HydrophobicContact SD-CB 4.11Å; M91-M104 HydrophobicContact SD-CG 4.21Å; P99-M104 HydrophobicContact CB-CB 4.45Å; G100-M104 PolarHBondContact O-N 3.43Å; M104-M108 WeakPolarHBondContact O-CG 3.34Å; M104-M108 PolarHBondContact O-N 2.86Å
105H98.4Very high97.8Very high105 Ų10562 Ų6249%0.48636%0.36SS..Hα-helixtrans-59.3-52.5-179.8-179.276.1000111.7N101 M108 Q109N101-H105 WeakPolarHBondContact O-CB 3.48Å; N101-H105 PolarHBondContact O-N 2.92Å; H105-M108 PolarHBondContact O-N 3.03Å; H105-Q109 PolarHBondContact CE1-NE2 3.35Å; H105-Q109 VanDerWaalsContact CE1-NE2 3.29Å; H105-Q109 PolarHBondContact NE2-NE2 2.86Å; H105-Q109 WeakPolarHBondContact O-CG 3.46Å; H105-Q109 PolarHBondContact O-N 2.85Å
106N98.8Very high97.8Very high5 Ų559 Ų593%0.02734%0.344CS..Hα-helixtrans-76.3-33.7-172.8-73.2-34.6000112.5A102 M108 Q109 L110 I120 E126 T162A102-N106 VanDerWaalsContact O-CB 3.3Å; A102-N106 WeakPolarHBondContact O-CB 3.42Å; A102-N106 PolarHBondContact O-N 3.08Å; A102-N106 PolarHBondContact O-ND2 3.19Å; N106-M108 VanDerWaalsContact C-N 3.25Å; N106-M108 PolarHBondContact O-N 3.09Å; N106-Q109 WeakPolarHBondContact O-CB 3.31Å; N106-Q109 PolarHBondContact O-N 3.42Å; N106-L110 WeakPolarHBondContact O-CG 3.34Å; N106-L110 PolarHBondContact O-N 3.44Å; N106-I120 HydrophobicContact CB-CD1 4.03Å; N106-I120 WeakPolarHBondContact ND2-CD1 3.23Å; N106-E126 VanDerWaalsContact ND2-CD 3.3Å; N106-E126 PolarHBondContact ND2-OE1 2.82Å; N106-T162 HydrophobicContact CB-CG2 4.02Å; N106-T162 PolarHBondContact ND2-O 3.22Å
107A98.7Very high97.8Very high0 Ų057.8 Ų57.80%033%0.332CS..Hα-helixtrans-57-40.3172.300000112.1Y87 Q88 M91 S103 Q109 L110 T162Y87-A107 WeakPolarHBondContact O-CB 3.38Å; Q88-A107 PolarHBondContact NE2-O 3.02Å; M91-A107 HydrophobicContact CE-CB 3.74Å; M91-A107 HydrophobicContact CG-CB 3.83Å; M91-A107 HydrophobicContact SD-CB 4.24Å; S103-A107 WeakPolarHBondContact O-CB 3.39Å; S103-A107 PolarHBondContact O-N 3.08Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 2.87Å; A107-L110 PolarHBondContact O-N 2.94Å; A107-T162 HydrophobicContact CB-CG2 4.45Å
108M98.3Very high97.8Very high89 Ų8958 Ų5844%0.43833%0.333SS..Hα-helixtrans-69-23.5175.1-71.8-67.1141.400113.7Q88 M91 M104 H105 N106Q88-M108 WeakPolarHBondContact O-CE 3.3Å; M91-M108 HydrophobicContact CB-CE 3.12Å; M91-M108 HydrophobicContact CG-CE 3.61Å; M104-M108 WeakPolarHBondContact O-CG 3.34Å; M104-M108 PolarHBondContact O-N 2.86Å; H105-M108 PolarHBondContact O-N 3.03Å; N106-M108 VanDerWaalsContact C-N 3.25Å; N106-M108 PolarHBondContact O-N 3.09Å
109Q98.3Very high97.9Very high92 Ų9258.3 Ų58.343%0.4333%0.326SS..Hα-helixtrans-80.5-22.7176.8-68.8-159.30.900113.8H105 N106 A107 K111H105-Q109 PolarHBondContact CE1-NE2 3.35Å; H105-Q109 VanDerWaalsContact CE1-NE2 3.29Å; H105-Q109 PolarHBondContact NE2-NE2 2.86Å; H105-Q109 WeakPolarHBondContact O-CG 3.46Å; H105-Q109 PolarHBondContact O-N 2.85Å; N106-Q109 WeakPolarHBondContact O-CB 3.31Å; N106-Q109 PolarHBondContact O-N 3.42Å; A107-Q109 VanDerWaalsContact C-N 3.28Å; A107-Q109 PolarHBondContact O-N 2.87Å; Q109-K111 VanDerWaalsContact O-CE 3.28Å; Q109-K111 WeakPolarHBondContact O-CE 3.13Å
110L98.5Very high97.9Very high2 Ų257.2 Ų57.21%0.0132%0.318CS..  trans-55.7146.5-179-54.6178.9000111.6A84 Q88 N106 A107 P112 W118 I120 M161A84-L110 HydrophobicContact CB-CB 4.5Å; A84-L110 HydrophobicContact CB-CD1 3.9Å; Q88-L110 PolarHBondContact NE2-O 3.29Å; N106-L110 WeakPolarHBondContact O-CG 3.34Å; N106-L110 PolarHBondContact O-N 3.44Å; A107-L110 PolarHBondContact O-N 2.94Å; L110-P112 VanDerWaalsContact C-CD 3.43Å; L110-W118 WeakPolarHBondContact CD2-O 3.35Å; L110-I120 HydrophobicContact CD2-CG2 4.23Å; L110-M161 HydrophobicContact CD1-CB 4.41Å; L110-M161 HydrophobicContact CD2-CB 4.33Å
111K98.6Very high98Very high106 Ų10659.3 Ų59.346%0.46133%0.325SS..  trans-12565.4177.3-55.7-60.8164.9-1450109.7Q109 G113 K114 G117Q109-K111 VanDerWaalsContact O-CE 3.28Å; Q109-K111 WeakPolarHBondContact O-CE 3.13Å; K111-G113 PolarHBondContact O-N 3.27Å; K111-K114 HydrophobicContact CB-CB 4.47Å; K111-K114 HydrophobicContact CB-CD 4.08Å; K111-K114 HydrophobicContact CB-CG 4.29Å; K111-K114 PolarHBondContact O-N 2.89Å; K111-K114 VanDerWaalsContact O-N 3.13Å; K111-G117 PolarHBondContact N-O 3.05Å
112P96.9Very high98.1Very high34 Ų3454.5 Ų54.522%0.22130%0.298CS..THydrogen-bonded Turntrans-54.6132.9177.724.6-33.7000110.1Y81 A84 K85 L110Y81-P112 HydrophobicContact CD2-CB 3.89Å; Y81-P112 HydrophobicContact CE2-CB 3.92Å; A84-P112 HydrophobicContact CB-CB 4.24Å; K85-P112 HydrophobicContact CB-CB 4.15Å; K85-P112 HydrophobicContact CB-CG 4.35Å; L110-P112 VanDerWaalsContact C-CD 3.43Å
113G95.3Very high98.2Very high63 Ų6356.3 Ų56.365%0.64931%0.305SS*.THydrogen-bonded Turntrans102-17.1-176.500000114.2K111K111-G113 PolarHBondContact O-N 3.27Å
114K98.1Very high98.2Very high143 Ų14359 Ų5962%0.62232%0.323SS*.SBendtrans-86.4143166.9-65.1-168.5178.5-175.10110.7K111 N116 G117K111-K114 HydrophobicContact CB-CB 4.47Å; K111-K114 HydrophobicContact CB-CD 4.08Å; K111-K114 HydrophobicContact CB-CG 4.29Å; K111-K114 PolarHBondContact O-N 2.89Å; K111-K114 VanDerWaalsContact O-N 3.13Å; K114-N116 PolarHBondContact O-N 3.39Å; K114-G117 PolarHBondContact O-N 3.42Å
115P97.5Very high98.2Very high124 Ų12462.6 Ų62.681%0.80534%0.339SS*.THydrogen-bonded Turntrans-53.2126.5170.3-25.734.6000110.9G117P115-G117 PolarHBondContact O-N 3.39Å
116N97.8Very high98.2Very high76 Ų7658.2 Ų58.241%0.40632%0.318SS..THydrogen-bonded Turntrans54.817.1-173.6-63.2-56.2000115.2K114 W118 R119K114-N116 PolarHBondContact O-N 3.39Å; N116-W118 PolarHBondContact O-N 3.43Å; N116-R119 HydrophobicContact CB-CG 4.19Å; N116-R119 WeakPolarHBondContact O-CB 3.17Å; N116-R119 PolarHBondContact O-N 3.17Å; N116-R119 PolarHBondContact OD1-NE 3.1Å
117G98.4Very high98.2Very high15 Ų1558.7 Ų58.716%0.15532%0.324CS..THydrogen-bonded Turntrans-67.8-3.3-17600000115.1K111 K114 P115K111-G117 PolarHBondContact N-O 3.05Å; K114-G117 PolarHBondContact O-N 3.42Å; P115-G117 PolarHBondContact O-N 3.39Å
118W98.6Very high98.2Very high14 Ų1459.7 Ų59.75%0.05334%0.335CS..THydrogen-bonded Turntrans-100-2175.348-101.7000113Y80 A84 L110 N116 E157 M161 L357Y80-W118 AromaticContact CD2-CH2 3.52Å; Y80-W118 HydrophobicContact CD2-CH2 3.52Å; Y80-W118 AromaticContact CD2-CZ2 3.39Å; Y80-W118 HydrophobicContact CD2-CZ2 3.39Å; Y80-W118 HydrophobicContact CD2-CZ3 4.33Å; Y80-W118 HydrophobicContact CE2-CH2 4.03Å; Y80-W118 HydrophobicContact CE2-CZ2 4.27Å; Y80-W118 HydrophobicContact CG-CH2 4.08Å; Y80-W118 AromaticContact CG-CZ2 3.92Å; Y80-W118 HydrophobicContact CG-CZ2 3.92Å; A84-W118 HydrophobicContact CB-CB 3.47Å; A84-W118 VanDerWaalsContact CB-CB 3.47Å; A84-W118 HydrophobicContact CB-CG 4.43Å; L110-W118 WeakPolarHBondContact CD2-O 3.35Å; N116-W118 PolarHBondContact O-N 3.43Å; W118-E157 HydrophobicContact CH2-CG 4.43Å; W118-E157 HydrophobicContact CZ3-CB 4.28Å; W118-E157 HydrophobicContact CZ3-CG 4.36Å; W118-E157 VanDerWaalsContact CZ3-OE2 3.3Å; W118-E157 WeakPolarHBondContact CZ3-OE2 3.41Å; W118-M161 HydrophobicContact CB-CE 4.07Å; W118-M161 HydrophobicContact CB-CG 4.32Å; W118-M161 HydrophobicContact CB-SD 4.37Å; W118-M161 HydrophobicContact CD2-CE 4.06Å; W118-M161 HydrophobicContact CE3-CE 3.88Å; W118-M161 HydrophobicContact CE3-CG 4.35Å; W118-M161 HydrophobicContact CG-CE 4.14Å; W118-M161 WeakPolarHBondContact O-CG 3.38Å; W118-L357 HydrophobicContact CH2-CD1 4.28Å
119R98.8Very high98.2Very high46 Ų4656 Ų5617%0.17432%0.318CS..  trans-86.6138.6175.3-60-171.7179.8-75.85.9110.1N116 E157 Y211N116-R119 HydrophobicContact CB-CG 4.19Å; N116-R119 WeakPolarHBondContact O-CB 3.17Å; N116-R119 PolarHBondContact O-N 3.17Å; N116-R119 PolarHBondContact OD1-NE 3.1Å; R119-E157 IonicContact CZ-OE1 2.96Å; R119-E157 VanDerWaalsContact NH1-CD 3.3Å; R119-E157 IonicContact NH1-OE1 2.85Å; R119-E157 PolarHBondContact NH1-OE1 2.97Å; R119-E157 IonicContact NH1-OE2 3.54Å; R119-E157 PolarHBondContact NH1-OE2 2.92Å; R119-E157 IonicContact NH2-OE1 2.65Å; R119-E157 PolarHBondContact NH2-OE1 2.8Å; R119-Y211 VanDerWaalsContact CZ-CE2 3.41Å; R119-Y211 VanDerWaalsContact NE-CE2 3.28Å
120I98.8Very high98.3Very high11 Ų1151.9 Ų51.96%0.05630%0.3CS..  trans-116.6161.3171.761.5169.9000110.4N106 L110 E126 R160 H164N106-I120 HydrophobicContact CB-CD1 4.03Å; N106-I120 WeakPolarHBondContact ND2-CD1 3.23Å; L110-I120 HydrophobicContact CD2-CG2 4.23Å; I120-E126 WeakPolarHBondContact CD1-OE2 3.28Å; I120-R160 VanDerWaalsContact CG1-O 3.22Å; I120-R160 WeakPolarHBondContact CG1-O 3.05Å; I120-H164 HydrophobicContact CD1-CB 4.07Å; I120-H164 HydrophobicContact CG1-CB 3.9Å; I120-H164 PolarHBondContact O-ND1 2.78Å
121P98.8Very high98.3Very high77 Ų7751.8 Ų51.850%0.530%0.299SS..  trans-62159.4171.6-21.434.5000113H164 F212P121-H164 WeakPolarHBondContact O-CB 3.34Å; P121-H164 PolarHBondContact O-ND1 2.88Å; P121-F212 HydrophobicContact CB-CE1 4.21Å; P121-F212 HydrophobicContact CB-CE2 4.22Å; P121-F212 HydrophobicContact CB-CZ 3.67Å
122F98.9Very high98.3Very high34 Ų3446.7 Ų46.715%0.14928%0.277CS..  trans-62.1147166.4171.4-85.4000111H164 H165 F212 E215 H219F122-H164 WeakPolarHBondContact CA-O 3.33Å; F122-H164 WeakPolarHBondContact CD2-O 3.1Å; F122-H165 AromaticContact CE2-CD2 3.67Å; F122-H165 AromaticContact CZ-CD2 3.54Å; F122-F212 HydrophobicContact CB-CB 3.68Å; F122-F212 HydrophobicContact CB-CD1 3.72Å; F122-F212 HydrophobicContact CB-CD2 4.39Å; F122-F212 HydrophobicContact CB-CE1 4.48Å; F122-F212 HydrophobicContact CB-CG 3.67Å; F122-E215 HydrophobicContact CB-CB 4.26Å; F122-E215 HydrophobicContact CD1-CB 3.59Å; F122-E215 HydrophobicContact CD1-CG 4.05Å; F122-E215 HydrophobicContact CD2-CB 3.84Å; F122-E215 HydrophobicContact CE1-CB 3.83Å; F122-E215 HydrophobicContact CE1-CG 4.45Å; F122-E215 HydrophobicContact CE2-CB 4.04Å; F122-E215 HydrophobicContact CG-CB 3.61Å; F122-E215 HydrophobicContact CG-CG 4.36Å; F122-E215 HydrophobicContact CZ-CB 4.04Å; F122-H219 HydrophobicContact CZ-CB 4.37Å; F122-H219 AromaticContact CZ-CE1 3.77Å; F122-H219 AromaticContact CZ-CG 3.75Å; F122-H219 AromaticContact CZ-ND1 3.56Å
123N98.8Very high98.4Very high62 Ų6245.2 Ų45.233%0.33227%0.267SS..  trans-145.7133.2173.8-167.9-40.7000111.6H125 E126 H164 H165N123-H125 PolarHBondContact O-N 3.12Å; N123-H125 PolarHBondContact OD1-N 2.79Å; N123-H125 PolarHBondContact OD1-ND1 3.5Å; N123-E126 HydrophobicContact CB-CB 4.09Å; N123-E126 HydrophobicContact CB-CG 3.73Å; N123-E126 WeakPolarHBondContact CB-OE1 3.24Å; N123-E126 PolarHBondContact O-N 3.12Å; N123-H164 PolarHBondContact N-O 3.45Å; N123-H165 PolarHBondContact O-CD2 3.37Å
124S98Very high98.6Very high57 Ų5742.2 Ų42.240%0.39924%0.236SC..THydrogen-bonded Turntrans-67.4-14179.960.10000114.4
125H98.2Very high98.6Very high160 Ų16035.4 Ų35.474%0.74121%0.207SC*.THydrogen-bonded Turntrans-103.77.8-179.1-53.991.9000113.3N123 G127N123-H125 PolarHBondContact O-N 3.12Å; N123-H125 PolarHBondContact OD1-N 2.79Å; N123-H125 PolarHBondContact OD1-ND1 3.5Å; H125-G127 VanDerWaalsContact C-N 3.31Å; H125-G127 PolarHBondContact O-N 2.68Å
126E98.8Very high98.7Very high12 Ų1229.5 Ų29.56%0.05617%0.168CC..  trans-95.728.9-176.6-85177.2-160.800113.1A102 N106 I120 N123 H163 H164 H165A102-E126 HydrophobicContact CB-CG 4.35Å; N106-E126 VanDerWaalsContact ND2-CD 3.3Å; N106-E126 PolarHBondContact ND2-OE1 2.82Å; I120-E126 WeakPolarHBondContact CD1-OE2 3.28Å; N123-E126 HydrophobicContact CB-CB 4.09Å; N123-E126 HydrophobicContact CB-CG 3.73Å; N123-E126 WeakPolarHBondContact CB-OE1 3.24Å; N123-E126 PolarHBondContact O-N 3.12Å; E126-H163 WeakPolarHBondContact O-CB 3.36Å; E126-H163 PolarHBondContact O-CD2 3.32Å; E126-H164 WeakPolarHBondContact OE2-CA 3.47Å; E126-H164 WeakPolarHBondContact OE2-CB 3.34Å; E126-H164 PolarHBondContact OE2-N 3.44Å; E126-H165 HydrophobicContact CB-CB 4.03Å; E126-H165 WeakPolarHBondContact O-CB 3.5Å
127G98.5Very high98.7Very high15 Ų1525.9 Ų25.916%0.15515%0.149CC..  trans-85.42-179.600000115.8H125 S270 G271H125-G127 VanDerWaalsContact C-N 3.31Å; H125-G127 PolarHBondContact O-N 2.68Å; G127-S270 WeakPolarHBondContact O-CA 3.35Å; G127-S270 WeakPolarHBondContact O-CB 3.44Å; G127-G271 PolarHBondContact O-N 2.7Å
128G98.7Very high98.8Very high22 Ų2225.1 Ų25.123%0.22714%0.142CC..BIsolated β-bridgetrans-60.7164.5-176.700000115.2G130 H163 S269 G271G128-G130 PolarHBondContact O-N 3.1Å; G128-H163 PolarHBondContact O-CD2 3.12Å; G128-S269 WeakPolarHBondContact CA-O 3.48Å; G128-G271 PolarHBondContact O-N 3.17Å
129C98.8Very high98.8Very high12 Ų1224.5 Ų24.58%0.08114%0.139CC..G310 helixtrans-70.3-13.1179.4590000114A131 A132 M133 S269 A274 D302C129-A131 PolarHBondContact O-N 3Å; C129-A132 WeakPolarHBondContact O-CA 3.4Å; C129-A132 VanDerWaalsContact O-CB 3.31Å; C129-A132 WeakPolarHBondContact O-CB 3.44Å; C129-A132 PolarHBondContact O-N 3.43Å; C129-M133 PolarHBondContact O-N 2.85Å; C129-S269 PolarHBondContact N-O 3.26Å; C129-S269 VanDerWaalsContact N-O 3.07Å; C129-A274 HydrophobicContact CB-CB 3.68Å; C129-D302 PolarHBondContact SG-OD2 3.26Å
130G98.9Very high98.8Very high4 Ų422.3 Ų22.34%0.04113%0.131CC..G310 helixtrans-57.1-26.5-171.200000115.5G128 M133 R134 H163G128-G130 PolarHBondContact O-N 3.1Å; G130-M133 WeakPolarHBondContact O-CG 3.43Å; G130-R134 WeakPolarHBondContact O-CD 3.44Å; G130-R134 WeakPolarHBondContact O-CG 3.31Å; G130-R134 PolarHBondContact O-NH1 3Å; G130-H163 PolarHBondContact N-NE2 2.76Å
131A98.9Very high98.8Very high0 Ų021.8 Ų21.80%013%0.128CC..G310 helixtrans-77.2-37170.600000113.3C129 A135 H163 A172C129-A131 PolarHBondContact O-N 3Å; A131-A135 WeakPolarHBondContact O-CB 3.47Å; A131-H163 HydrophobicContact CB-CB 3.78Å; A131-A172 HydrophobicContact CB-CB 4.24Å; A131-A172 WeakPolarHBondContact O-CB 3.32Å
132A98.9Very high98.8Very high0 Ų018.2 Ų18.20%011%0.105CC..THydrogen-bonded Turntrans-67.4-49.1179.100000111.6C129 R134 A135 G171 S175 I309C129-A132 WeakPolarHBondContact O-CA 3.4Å; C129-A132 VanDerWaalsContact O-CB 3.31Å; C129-A132 WeakPolarHBondContact O-CB 3.44Å; C129-A132 PolarHBondContact O-N 3.43Å; A132-R134 PolarHBondContact O-N 3.31Å; A132-A135 PolarHBondContact O-N 2.91Å; A132-A135 VanDerWaalsContact O-N 3.15Å; A132-G171 VanDerWaalsContact CB-C 3.49Å; A132-G171 WeakPolarHBondContact CB-O 3.49Å; A132-S175 VanDerWaalsContact O-CB 3.28Å; A132-S175 WeakPolarHBondContact O-CB 3.47Å; A132-S175 PolarHBondContact O-OG 2.98Å; A132-S175 VanDerWaalsContact O-OG 3.12Å; A132-I309 HydrophobicContact CB-CD1 4.06Å
133M98.9Very high98.8Very high2 Ų217 Ų171%0.0110%0.1CC..THydrogen-bonded Turntrans-59.1-18.4-172.874.2-166.5-168.400115.2D55 D56 M59 C129 G130 M136D55-M133 VanDerWaalsContact OD2-CE 3.29Å; D55-M133 WeakPolarHBondContact OD2-CE 3.48Å; D56-M133 HydrophobicContact CB-CB 4.38Å; D56-M133 HydrophobicContact CB-CG 4.4Å; D56-M133 HydrophobicContact CB-SD 4.23Å; D56-M133 VanDerWaalsContact CG-SD 3.52Å; D56-M133 WeakPolarHBondContact OD1-CB 3.33Å; D56-M133 WeakPolarHBondContact OD1-CG 3.3Å; M59-M133 HydrophobicContact CB-CE 4.18Å; M59-M133 HydrophobicContact CG-CE 4.04Å; M59-M133 HydrophobicContact SD-CE 3.64Å; C129-M133 PolarHBondContact O-N 2.85Å; G130-M133 WeakPolarHBondContact O-CG 3.43Å; M133-M136 WeakPolarHBondContact O-CE 3.42Å; M133-M136 VanDerWaalsContact O-SD 3.36Å
134R98.9Very high98.8Very high0 Ų016.2 Ų16.20%09%0.094CC..THydrogen-bonded Turntrans-1145.6-175.268.9-177-170.8-118.54.2114.6M59 H60 T63 Y87 G130 A132 S158 T162M59-R134 HydrophobicContact CB-CB 3.77Å; M59-R134 HydrophobicContact CB-CG 4.4Å; H60-R134 HydrophobicContact CB-CB 4.43Å; T63-R134 VanDerWaalsContact CB-O 3.24Å; T63-R134 WeakPolarHBondContact CB-O 3.24Å; T63-R134 WeakPolarHBondContact CG2-O 3.28Å; T63-R134 PolarHBondContact OG1-O 3.46Å; Y87-R134 PolarHBondContact OH-NE 2.72Å; G130-R134 WeakPolarHBondContact O-CD 3.44Å; G130-R134 WeakPolarHBondContact O-CG 3.31Å; G130-R134 PolarHBondContact O-NH1 3Å; A132-R134 PolarHBondContact O-N 3.31Å; R134-S158 PolarHBondContact NH2-O 3Å; R134-T162 PolarHBondContact NH1-OG1 3.13Å; R134-T162 VanDerWaalsContact NH1-OG1 3.08Å; R134-T162 PolarHBondContact NH2-OG1 2.92Å
135A99Very high98.8Very high0 Ų021.2 Ų21.20%011%0.111CC..  trans-101.6-11.1-168.200000114.6A131 A132 C137 I138 A172A131-A135 WeakPolarHBondContact O-CB 3.47Å; A132-A135 PolarHBondContact O-N 2.91Å; A132-A135 VanDerWaalsContact O-N 3.15Å; A135-C137 VanDerWaalsContact C-N 3.28Å; A135-C137 PolarHBondContact O-N 3.17Å; A135-I138 HydrophobicContact CB-CD1 4.12Å; A135-I138 VanDerWaalsContact O-CB 3.28Å; A135-I138 WeakPolarHBondContact O-CB 3.33Å; A135-I138 WeakPolarHBondContact O-CG1 3.4Å; A135-I138 PolarHBondContact O-N 3.44Å; A135-A172 HydrophobicContact CB-CB 3.67Å; A135-A172 WeakPolarHBondContact CB-O 3.43Å
136M98.9Very high98.8Very high0 Ų017.1 Ų17.10%010%0.101CC..Hα-helixtrans-56.8-39.6-173.2-58.380.178.800112.9S11 M133 I138 G139 L140 T179 I309 C312S11-M136 WeakPolarHBondContact OG-CE 3.35Å; M133-M136 WeakPolarHBondContact O-CE 3.42Å; M133-M136 VanDerWaalsContact O-SD 3.36Å; M136-I138 PolarHBondContact O-N 3.34Å; M136-I138 VanDerWaalsContact O-N 3.13Å; M136-G139 PolarHBondContact O-N 3.02Å; M136-L140 PolarHBondContact O-N 3.22Å; M136-T179 WeakPolarHBondContact CA-OG1 3.11Å; M136-T179 VanDerWaalsContact CB-OG1 3.31Å; M136-T179 WeakPolarHBondContact CB-OG1 3.38Å; M136-T179 VanDerWaalsContact O-CB 3.28Å; M136-T179 WeakPolarHBondContact O-CB 3.4Å; M136-T179 VanDerWaalsContact O-CG2 3.24Å; M136-T179 WeakPolarHBondContact O-CG2 3.36Å; M136-T179 PolarHBondContact O-OG1 2.86Å; M136-I309 HydrophobicContact CE-CG1 4.47Å; M136-I309 HydrophobicContact CG-CG2 4.5Å; M136-I309 HydrophobicContact SD-CB 4.5Å; M136-I309 HydrophobicContact SD-CG1 3.94Å; M136-C312 HydrophobicContact CB-CB 4.05Å; M136-C312 WeakPolarHBondContact CB-SG 3.22Å; M136-C312 HydrophobicContact CE-CB 3.97Å; M136-C312 HydrophobicContact CG-CB 3.95Å
137C98.9Very high98.8Very high0 Ų016.8 Ų16.80%010%0.099CC..Hα-helixtrans-66.6-16.2-177.8590000113.7M8 H60 T63 A64 L67 A135 G139 L140 R141 L344M8-C137 HydrophobicContact SD-CB 4.05Å; H60-C137 VanDerWaalsContact CD2-SG 3.54Å; H60-C137 WeakPolarHBondContact NE2-CB 3.43Å; H60-C137 PolarHBondContact NE2-N 2.98Å; T63-C137 WeakPolarHBondContact CG2-SG 3.36Å; A64-C137 HydrophobicContact CB-CB 4.04Å; L67-C137 HydrophobicContact CD1-CB 4.39Å; A135-C137 VanDerWaalsContact C-N 3.28Å; A135-C137 PolarHBondContact O-N 3.17Å; C137-G139 VanDerWaalsContact C-N 3.27Å; C137-G139 PolarHBondContact O-N 3.36Å; C137-L140 HydrophobicContact CB-CD1 4.33Å; C137-L140 WeakPolarHBondContact O-CB 3.26Å; C137-L140 PolarHBondContact O-N 3.45Å; C137-L140 VanDerWaalsContact O-N 3.16Å; C137-R141 PolarHBondContact O-N 3.15Å; C137-L344 HydrophobicContact CB-CD1 3.88Å
138I98.9Very high98.8Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-62.9-39.2170.5-60.2168.2000109.7T63 L67 A135 M136 L140 R141 F142 V154 S158 A176T63-I138 HydrophobicContact CG2-CD1 4.21Å; T63-I138 HydrophobicContact CG2-CG1 3.95Å; L67-I138 HydrophobicContact CD1-CG1 4Å; A135-I138 HydrophobicContact CB-CD1 4.12Å; A135-I138 VanDerWaalsContact O-CB 3.28Å; A135-I138 WeakPolarHBondContact O-CB 3.33Å; A135-I138 WeakPolarHBondContact O-CG1 3.4Å; A135-I138 PolarHBondContact O-N 3.44Å; M136-I138 PolarHBondContact O-N 3.34Å; M136-I138 VanDerWaalsContact O-N 3.13Å; I138-L140 VanDerWaalsContact C-N 3.34Å; I138-R141 PolarHBondContact O-N 3.06Å; I138-F142 HydrophobicContact CG2-CD2 4.02Å; I138-F142 PolarHBondContact O-N 3.28Å; I138-V154 HydrophobicContact CD1-CG1 4.14Å; I138-V154 HydrophobicContact CG1-CG1 4.25Å; I138-V154 HydrophobicContact CG2-CB 4.17Å; I138-V154 HydrophobicContact CG2-CG1 3.98Å; I138-S158 VanDerWaalsContact CD1-OG 3.32Å; I138-S158 WeakPolarHBondContact CD1-OG 3.39Å; I138-A176 HydrophobicContact CB-CB 3.87Å; I138-A176 HydrophobicContact CG2-CB 4.11Å
139G98.9Very high98.8Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-70.8-27.2173.800000113.9M136 C137 P143 A176M136-G139 PolarHBondContact O-N 3.02Å; C137-G139 VanDerWaalsContact C-N 3.27Å; C137-G139 PolarHBondContact O-N 3.36Å; G139-P143 WeakPolarHBondContact O-CB 3.15Å; G139-A176 VanDerWaalsContact CA-O 3.26Å; G139-A176 WeakPolarHBondContact CA-O 3.44Å
140L98.9Very high98.8Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-68.7-36.2169.3-62.2179.9000111.4Y4 A7 M8 M136 C137 I138 T179 V183 V316 L344Y4-L140 HydrophobicContact CD1-CB 4.08Å; Y4-L140 HydrophobicContact CD1-CD1 4.38Å; Y4-L140 HydrophobicContact CD1-CD2 4.21Å; Y4-L140 HydrophobicContact CD1-CG 4.46Å; Y4-L140 HydrophobicContact CD2-CD2 4.4Å; Y4-L140 HydrophobicContact CE1-CB 3.66Å; Y4-L140 HydrophobicContact CE1-CD2 4.11Å; Y4-L140 HydrophobicContact CE1-CG 4.37Å; Y4-L140 VanDerWaalsContact CE1-O 3.27Å; Y4-L140 WeakPolarHBondContact CE1-O 3.37Å; Y4-L140 HydrophobicContact CE2-CD2 4.3Å; Y4-L140 HydrophobicContact CG-CD2 4.35Å; Y4-L140 PolarHBondContact OH-O 3.06Å; A7-L140 HydrophobicContact CB-CD1 3.99Å; A7-L140 HydrophobicContact CB-CD2 4.22Å; M8-L140 HydrophobicContact CG-CD1 4.41Å; M8-L140 HydrophobicContact SD-CD1 3.92Å; M136-L140 PolarHBondContact O-N 3.22Å; C137-L140 HydrophobicContact CB-CD1 4.33Å; C137-L140 WeakPolarHBondContact O-CB 3.26Å; C137-L140 PolarHBondContact O-N 3.45Å; C137-L140 VanDerWaalsContact O-N 3.16Å; I138-L140 VanDerWaalsContact C-N 3.34Å; L140-T179 HydrophobicContact CD2-CG2 3.55Å; L140-T179 HydrophobicContact CG-CG2 3.71Å; L140-V183 HydrophobicContact CD2-CG2 3.77Å; L140-V316 HydrophobicContact CD2-CG2 3.77Å; L140-L344 HydrophobicContact CD1-CD1 4.31Å
141R98.9Very high98.8Very high1 Ų121.2 Ų21.20%0.00411%0.112CC..Hα-helixtrans-79.3-36.4-178.6177.257.3-175.689.3-5.3113.6L67 G71 C137 I138 P143 L344 G348 D352L67-R141 HydrophobicContact CB-CG 4.39Å; L67-R141 HydrophobicContact CD1-CB 4.17Å; L67-R141 HydrophobicContact CD2-CB 4.34Å; L67-R141 HydrophobicContact CD2-CG 4.06Å; G71-R141 PolarHBondContact O-NH2 2.96Å; C137-R141 PolarHBondContact O-N 3.15Å; I138-R141 PolarHBondContact O-N 3.06Å; R141-P143 WeakPolarHBondContact O-CD 3.07Å; R141-L344 HydrophobicContact CB-CD2 4.19Å; R141-G348 WeakPolarHBondContact O-CA 3.32Å; R141-D352 IonicContact CZ-OD1 3.7Å; R141-D352 IonicContact CZ-OD2 3.28Å; R141-D352 IonicContact NH1-OD1 3.32Å; R141-D352 PolarHBondContact NH1-OD1 2.9Å; R141-D352 IonicContact NH1-OD2 2.64Å; R141-D352 IonicContact NH2-OD1 2.76Å; R141-D352 PolarHBondContact NH2-OD1 3.06Å; R141-D352 IonicContact NH2-OD2 3.06Å; R141-D352 PolarHBondContact NH2-OD2 3.35Å
142F98.8Very high98.8Very high1 Ų121.4 Ų21.40%0.00411%0.113CC..SBendtrans-124.160.7-176.7-56.7-65.6000112L67 I138 Q147 T150 L151 V154 V354L67-F142 HydrophobicContact CD2-CE2 3.94Å; I138-F142 HydrophobicContact CG2-CD2 4.02Å; I138-F142 PolarHBondContact O-N 3.28Å; F142-Q147 VanDerWaalsContact CA-OE1 3.29Å; F142-Q147 HydrophobicContact CB-CB 4.07Å; F142-T150 HydrophobicContact CD1-CG2 3.8Å; F142-T150 HydrophobicContact CD2-CG2 4.02Å; F142-T150 HydrophobicContact CE1-CG2 3.74Å; F142-T150 HydrophobicContact CE2-CG2 3.96Å; F142-T150 HydrophobicContact CG-CG2 3.94Å; F142-T150 HydrophobicContact CZ-CG2 3.81Å; F142-L151 HydrophobicContact CB-CB 4.4Å; F142-V154 HydrophobicContact CE2-CG1 4.42Å; F142-V154 HydrophobicContact CE2-CG2 4.21Å; F142-V354 HydrophobicContact CE1-CG1 3.78Å; F142-V354 HydrophobicContact CZ-CG1 4.09Å
143P98.8Very high98.8Very high8 Ų823.3 Ų23.35%0.05212%0.122CC..  trans-80.2-16.4-174.733.1-35.9000113.4G139 R141 V183 N184 G348G139-P143 WeakPolarHBondContact O-CB 3.15Å; R141-P143 WeakPolarHBondContact O-CD 3.07Å; P143-V183 HydrophobicContact CB-CB 4.09Å; P143-V183 HydrophobicContact CB-CG1 3.66Å; P143-V183 HydrophobicContact CG-CG1 4.23Å; P143-N184 PolarHBondContact O-ND2 3.48Å; P143-G348 WeakPolarHBondContact CD-O 3.32Å; P143-G348 WeakPolarHBondContact CG-O 3.42Å
144H98.8Very high98.8Very high46 Ų4623.2 Ų23.221%0.21312%0.122CC..SBendtrans-76.9145.4-172.1-63.5-89.9000112.1S146 Q147 G348 E351H144-S146 PolarHBondContact O-N 3.38Å; H144-Q147 HydrophobicContact CB-CG 4.14Å; H144-Q147 PolarHBondContact CD2-OE1 3.26Å; H144-Q147 WeakPolarHBondContact O-CA 3.07Å; H144-Q147 WeakPolarHBondContact O-CB 3.46Å; H144-Q147 PolarHBondContact O-N 3.02Å; H144-G348 PolarHBondContact NE2-O 3.4Å; H144-E351 HydrophobicContact CB-CG 4.02Å; H144-E351 IonicContact ND1-OE2 3.63Å; H144-E351 PolarHBondContact NE2-N 3.17Å
145H98.3Very high98.8Very high163 Ų16323.2 Ų23.276%0.75512%0.122SC*.G310 helixtrans-57.9-36.3178.8178.766.7000113.2Q147 L148H145-Q147 PolarHBondContact O-N 3.11Å; H145-L148 VanDerWaalsContact O-CB 3.27Å; H145-L148 WeakPolarHBondContact O-CB 3.4Å; H145-L148 PolarHBondContact O-N 3.3Å
146S98.4Very high98.8Very high74 Ų7423.2 Ų23.252%0.51712%0.122SC..G310 helixtrans-62.9-19174.756.40000114.1H144 E351H144-S146 PolarHBondContact O-N 3.38Å; S146-E351 WeakPolarHBondContact CB-OE1 3.45Å; S146-E351 VanDerWaalsContact OG-CD 3.23Å; S146-E351 PolarHBondContact OG-OE1 3.38Å
147Q98.7Very high98.8Very high4 Ų423.2 Ų23.22%0.01912%0.122CC..G310 helixtrans-1007.8-179.1-59.1173.9-41.800112F142 H144 H145 D149 T150 L151 D352F142-Q147 VanDerWaalsContact CA-OE1 3.29Å; F142-Q147 HydrophobicContact CB-CB 4.07Å; H144-Q147 HydrophobicContact CB-CG 4.14Å; H144-Q147 PolarHBondContact CD2-OE1 3.26Å; H144-Q147 WeakPolarHBondContact O-CA 3.07Å; H144-Q147 WeakPolarHBondContact O-CB 3.46Å; H144-Q147 PolarHBondContact O-N 3.02Å; H145-Q147 PolarHBondContact O-N 3.11Å; Q147-D149 VanDerWaalsContact C-N 3.31Å; Q147-D149 PolarHBondContact O-N 3.39Å; Q147-T150 CarbonylContact O-C 3.31Å; Q147-T150 WeakPolarHBondContact O-CA 3.45Å; Q147-T150 VanDerWaalsContact O-CB 3.25Å; Q147-T150 WeakPolarHBondContact O-CB 3.25Å; Q147-T150 PolarHBondContact O-N 2.91Å; Q147-L151 PolarHBondContact O-N 3.43Å; Q147-D352 PolarHBondContact NE2-O 3.44Å; Q147-D352 PolarHBondContact NE2-OD1 3.07Å
148L98.6Very high98.8Very high34 Ų3423.2 Ų23.218%0.17812%0.122CC..Hα-helixtrans-59.7-40.2-174.7-167.258.2000112.5H145 T150 L151 I152 L177 L198H145-L148 VanDerWaalsContact O-CB 3.27Å; H145-L148 WeakPolarHBondContact O-CB 3.4Å; H145-L148 PolarHBondContact O-N 3.3Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.14Å; L148-L151 PolarHBondContact O-N 3.42Å; L148-I152 VanDerWaalsContact O-CG1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 3.49Å; L148-L177 HydrophobicContact CD1-CD1 3.8Å; L148-L198 HydrophobicContact CD1-CD2 3.74Å; L148-L198 HydrophobicContact CD2-CD1 3.56Å; L148-L198 HydrophobicContact CD2-CD2 4.31Å; L148-L198 HydrophobicContact CG-CD1 4.07Å; L148-L198 HydrophobicContact CG-CD2 4.02Å
149D98.7Very high98.8Very high97 Ų9723.2 Ų23.252%0.51912%0.122SC..Hα-helixtrans-62.6-37.8172.8-73-12.9000111.8Q147 I152 Q153Q147-D149 VanDerWaalsContact C-N 3.31Å; Q147-D149 PolarHBondContact O-N 3.39Å; D149-I152 PolarHBondContact O-N 3.33Å; D149-Q153 WeakPolarHBondContact O-CB 3.42Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 3.35Å
150T98.8Very high98.8Very high14 Ų1423.4 Ų23.49%0.08612%0.123CC..Hα-helixtrans-65.7-43.9175.5-60.30000111F142 Q147 L148 I152 Q153 V154 V354F142-T150 HydrophobicContact CD1-CG2 3.8Å; F142-T150 HydrophobicContact CD2-CG2 4.02Å; F142-T150 HydrophobicContact CE1-CG2 3.74Å; F142-T150 HydrophobicContact CE2-CG2 3.96Å; F142-T150 HydrophobicContact CG-CG2 3.94Å; F142-T150 HydrophobicContact CZ-CG2 3.81Å; Q147-T150 CarbonylContact O-C 3.31Å; Q147-T150 WeakPolarHBondContact O-CA 3.45Å; Q147-T150 VanDerWaalsContact O-CB 3.25Å; Q147-T150 WeakPolarHBondContact O-CB 3.25Å; Q147-T150 PolarHBondContact O-N 2.91Å; L148-T150 VanDerWaalsContact C-N 3.3Å; L148-T150 PolarHBondContact O-N 3.14Å; T150-I152 VanDerWaalsContact C-N 3.34Å; T150-I152 PolarHBondContact O-N 3.18Å; T150-Q153 PolarHBondContact O-N 2.69Å; T150-V154 HydrophobicContact CG2-CG2 4.04Å; T150-V154 WeakPolarHBondContact O-CB 2.87Å; T150-V154 VanDerWaalsContact O-CG2 3.28Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 3.32Å; T150-V354 HydrophobicContact CG2-CB 4.35Å; T150-V354 HydrophobicContact CG2-CG1 3.58Å; T150-V354 HydrophobicContact CG2-CG2 3.82Å; T150-V354 VanDerWaalsContact OG1-CG2 3.27Å; T150-V354 WeakPolarHBondContact OG1-CG2 3.38Å
151L98.9Very high98.8Very high1 Ų123.5 Ų23.51%0.00512%0.123CC..Hα-helixtrans-59.3-46.1175.9-176.8155.3000110.7F142 Q147 L148 S155 L173 A176 L177 A180F142-L151 HydrophobicContact CB-CB 4.4Å; Q147-L151 PolarHBondContact O-N 3.43Å; L148-L151 PolarHBondContact O-N 3.42Å; L151-S155 WeakPolarHBondContact O-CB 3.41Å; L151-S155 PolarHBondContact O-N 3.12Å; L151-S155 PolarHBondContact O-OG 2.84Å; L151-L173 HydrophobicContact CD2-CD1 3.88Å; L151-A176 HydrophobicContact CD2-CB 4.07Å; L151-A176 HydrophobicContact CG-CB 4.18Å; L151-L177 HydrophobicContact CD2-CB 4.17Å; L151-L177 HydrophobicContact CD2-CD1 4.3Å; L151-A180 HydrophobicContact CD1-CB 3.67Å
152I98.9Very high98.8Very high4 Ų423.4 Ų23.42%0.02112%0.123CC..Hα-helixtrans-57.2-54.8175.9-68.6165.2000110.2L148 D149 T150 S155 I156 L173 L198 E201 A202L148-I152 VanDerWaalsContact O-CG1 3.29Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 3.49Å; D149-I152 PolarHBondContact O-N 3.33Å; T150-I152 VanDerWaalsContact C-N 3.34Å; T150-I152 PolarHBondContact O-N 3.18Å; I152-S155 PolarHBondContact O-OG 2.99Å; I152-I156 HydrophobicContact CG2-CD1 3.67Å; I152-I156 WeakPolarHBondContact O-CB 3.41Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.2Å; I152-I156 PolarHBondContact O-N 3.43Å; I152-L173 HydrophobicContact CG1-CD1 4.07Å; I152-L198 HydrophobicContact CD1-CD1 4.39Å; I152-L198 HydrophobicContact CD1-CD2 3.82Å; I152-L198 HydrophobicContact CD1-CG 3.85Å; I152-L198 HydrophobicContact CG1-CD2 3.83Å; I152-L198 HydrophobicContact CG1-CG 4.33Å; I152-E201 HydrophobicContact CD1-CB 3.97Å; I152-A202 HydrophobicContact CG2-CB 4.22Å
153Q98.9Very high98.8Very high40 Ų4023.6 Ų23.619%0.18712%0.124CC..Hα-helixtrans-60.7-50.5-176.7-67.7175.238.100112.3D149 T150 I156 E157 Y205D149-Q153 WeakPolarHBondContact O-CB 3.42Å; D149-Q153 WeakPolarHBondContact O-CG 3.5Å; D149-Q153 PolarHBondContact O-N 3.35Å; T150-Q153 PolarHBondContact O-N 2.69Å; Q153-I156 PolarHBondContact O-N 2.95Å; Q153-E157 WeakPolarHBondContact O-CB 3.48Å; Q153-E157 VanDerWaalsContact O-CG 3.25Å; Q153-E157 WeakPolarHBondContact O-CG 3.11Å; Q153-E157 PolarHBondContact O-N 2.95Å; Q153-Y205 HydrophobicContact CB-CE1 4.36Å; Q153-Y205 HydrophobicContact CB-CE2 4.22Å; Q153-Y205 HydrophobicContact CG-CD1 4.43Å; Q153-Y205 HydrophobicContact CG-CD2 3.67Å; Q153-Y205 HydrophobicContact CG-CE1 4.27Å; Q153-Y205 HydrophobicContact CG-CE2 3.5Å; Q153-Y205 HydrophobicContact CG-CG 4.12Å
154V98.9Very high98.8Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-69.4-39.6-175.11770000111.3L67 L76 L79 Y80 L83 I138 F142 T150 S158L67-V154 HydrophobicContact CD2-CG1 4.41Å; L76-V154 HydrophobicContact CD2-CG2 3.81Å; L79-V154 HydrophobicContact CD2-CG1 3.94Å; L79-V154 HydrophobicContact CD2-CG2 3.85Å; Y80-V154 HydrophobicContact CE1-CG2 4.26Å; L83-V154 HydrophobicContact CD1-CG1 4.42Å; I138-V154 HydrophobicContact CD1-CG1 4.14Å; I138-V154 HydrophobicContact CG1-CG1 4.25Å; I138-V154 HydrophobicContact CG2-CB 4.17Å; I138-V154 HydrophobicContact CG2-CG1 3.98Å; F142-V154 HydrophobicContact CE2-CG1 4.42Å; F142-V154 HydrophobicContact CE2-CG2 4.21Å; T150-V154 HydrophobicContact CG2-CG2 4.04Å; T150-V154 WeakPolarHBondContact O-CB 2.87Å; T150-V154 VanDerWaalsContact O-CG2 3.28Å; T150-V154 WeakPolarHBondContact O-CG2 3.48Å; T150-V154 PolarHBondContact O-N 3.32Å; V154-S158 WeakPolarHBondContact O-CB 3.44Å; V154-S158 PolarHBondContact O-N 3.44Å; V154-S158 PolarHBondContact O-OG 3.36Å
155S98.9Very high98.8Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-62.4-45.5175.366.10000112L151 I152 S158 G159 A172L151-S155 WeakPolarHBondContact O-CB 3.41Å; L151-S155 PolarHBondContact O-N 3.12Å; L151-S155 PolarHBondContact O-OG 2.84Å; I152-S155 PolarHBondContact O-OG 2.99Å; S155-S158 PolarHBondContact O-OG 3.33Å; S155-G159 PolarHBondContact O-N 3.28Å; S155-A172 WeakPolarHBondContact O-CB 3.41Å
156I98.9Very high98.9Very high0 Ų014 Ų140%08%0.078CC..Hα-helixtrans-65.7-51.2178.1-70.5171.8000111.1I152 Q153 G159 R160 Y169 A202 Y205 I206I152-I156 HydrophobicContact CG2-CD1 3.67Å; I152-I156 WeakPolarHBondContact O-CB 3.41Å; I152-I156 VanDerWaalsContact O-CG1 3.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.2Å; I152-I156 PolarHBondContact O-N 3.43Å; Q153-I156 PolarHBondContact O-N 2.95Å; I156-G159 PolarHBondContact O-N 3.28Å; I156-R160 WeakPolarHBondContact O-CG 3.24Å; I156-R160 PolarHBondContact O-N 2.96Å; I156-Y169 HydrophobicContact CB-CD2 4.48Å; I156-Y169 HydrophobicContact CG1-CD2 4.1Å; I156-Y169 HydrophobicContact CG2-CD2 4.02Å; I156-Y169 HydrophobicContact CG2-CE2 4.37Å; I156-Y169 HydrophobicContact CG2-CG 4.39Å; I156-A202 HydrophobicContact CD1-CB 3.9Å; I156-Y205 HydrophobicContact CB-CD1 4.34Å; I156-Y205 HydrophobicContact CB-CE1 4.2Å; I156-Y205 HydrophobicContact CD1-CD1 3.86Å; I156-Y205 HydrophobicContact CG2-CD1 4.12Å; I156-Y205 HydrophobicContact CG2-CE1 3.94Å; I156-I206 HydrophobicContact CG2-CD1 3.67Å
157E98.9Very high98.9Very high0 Ų010.6 Ų10.60%05%0.054CC..Hα-helixtrans-64.1-44.4-177.4-67.6-71.5-156.100111.6Y80 W118 R119 Q153 G159 R160 M161 Y205Y80-E157 HydrophobicContact CD1-CB 4.19Å; Y80-E157 HydrophobicContact CE1-CB 3.6Å; Y80-E157 HydrophobicContact CE1-CG 4.21Å; Y80-E157 HydrophobicContact CE2-CB 4.21Å; Y80-E157 HydrophobicContact CE2-CG 4Å; W118-E157 HydrophobicContact CH2-CG 4.43Å; W118-E157 HydrophobicContact CZ3-CB 4.28Å; W118-E157 HydrophobicContact CZ3-CG 4.36Å; W118-E157 VanDerWaalsContact CZ3-OE2 3.3Å; W118-E157 WeakPolarHBondContact CZ3-OE2 3.41Å; R119-E157 IonicContact CZ-OE1 2.96Å; R119-E157 VanDerWaalsContact NH1-CD 3.3Å; R119-E157 IonicContact NH1-OE1 2.85Å; R119-E157 PolarHBondContact NH1-OE1 2.97Å; R119-E157 IonicContact NH1-OE2 3.54Å; R119-E157 PolarHBondContact NH1-OE2 2.92Å; R119-E157 IonicContact NH2-OE1 2.65Å; R119-E157 PolarHBondContact NH2-OE1 2.8Å; Q153-E157 WeakPolarHBondContact O-CB 3.48Å; Q153-E157 VanDerWaalsContact O-CG 3.25Å; Q153-E157 WeakPolarHBondContact O-CG 3.11Å; Q153-E157 PolarHBondContact O-N 2.95Å; E157-G159 VanDerWaalsContact C-N 3.3Å; E157-G159 PolarHBondContact O-N 3.15Å; E157-R160 PolarHBondContact O-N 2.96Å; E157-R160 IonicContact OE1-CZ 2.97Å; E157-R160 IonicContact OE1-NE 2.94Å; E157-R160 IonicContact OE1-NH2 2.66Å; E157-R160 PolarHBondContact OE1-NH2 3.43Å; E157-R160 IonicContact OE2-CZ 3.47Å; E157-R160 IonicContact OE2-NE 3.26Å; E157-R160 PolarHBondContact OE2-NE 3.09Å; E157-R160 IonicContact OE2-NH2 2.77Å; E157-R160 PolarHBondContact OE2-NH2 3.18Å; E157-M161 WeakPolarHBondContact O-CG 3.23Å; E157-M161 PolarHBondContact O-N 2.65Å; E157-M161 VanDerWaalsContact O-N 3.11Å; E157-Y205 VanDerWaalsContact CD-OH 3.27Å; E157-Y205 HydrophobicContact CG-CE1 4.15Å; E157-Y205 WeakPolarHBondContact CG-OH 3.48Å; E157-Y205 PolarHBondContact OE1-OH 3.41Å
158S98.9Very high98.9Very high0 Ų010.4 Ų10.40%05%0.054CC..Hα-helixtrans-62.6-35.5176.267.90000112.9Y87 R134 I138 V154 S155Y87-S158 WeakPolarHBondContact CE2-O 3.4Å; R134-S158 PolarHBondContact NH2-O 3Å; I138-S158 VanDerWaalsContact CD1-OG 3.32Å; I138-S158 WeakPolarHBondContact CD1-OG 3.39Å; V154-S158 WeakPolarHBondContact O-CB 3.44Å; V154-S158 PolarHBondContact O-N 3.44Å; V154-S158 PolarHBondContact O-OG 3.36Å; S155-S158 PolarHBondContact O-OG 3.33Å
159G98.9Very high98.9Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-67.8-52.8174.800000111.8S155 I156 E157 M161 T162 H163S155-G159 PolarHBondContact O-N 3.28Å; I156-G159 PolarHBondContact O-N 3.28Å; E157-G159 VanDerWaalsContact C-N 3.3Å; E157-G159 PolarHBondContact O-N 3.15Å; G159-M161 PolarHBondContact O-N 3.46Å; G159-M161 VanDerWaalsContact O-N 3.17Å; G159-T162 PolarHBondContact O-N 2.95Å; G159-T162 PolarHBondContact O-OG1 2.76Å; G159-H163 PolarHBondContact O-N 2.98Å
160R98.9Very high98.9Very high5 Ų54.1 Ų4.12%0.0192%0.02CC..Hα-helixtrans-76.22.9-176.479.3175176.3176.1-8.6115.4I120 I156 E157 T162 H164 Y169 S209I120-R160 VanDerWaalsContact CG1-O 3.22Å; I120-R160 WeakPolarHBondContact CG1-O 3.05Å; I156-R160 WeakPolarHBondContact O-CG 3.24Å; I156-R160 PolarHBondContact O-N 2.96Å; E157-R160 PolarHBondContact O-N 2.96Å; E157-R160 IonicContact OE1-CZ 2.97Å; E157-R160 IonicContact OE1-NE 2.94Å; E157-R160 IonicContact OE1-NH2 2.66Å; E157-R160 PolarHBondContact OE1-NH2 3.43Å; E157-R160 IonicContact OE2-CZ 3.47Å; E157-R160 IonicContact OE2-NE 3.26Å; E157-R160 PolarHBondContact OE2-NE 3.09Å; E157-R160 IonicContact OE2-NH2 2.77Å; E157-R160 PolarHBondContact OE2-NH2 3.18Å; R160-T162 PolarHBondContact O-N 3.48Å; R160-H164 HydrophobicContact CB-CB 4.05Å; R160-Y169 HydrophobicContact CB-CD1 4.04Å; R160-S209 PolarHBondContact NH2-OG 2.87Å
161M98.9Very high98.9Very high1 Ų13.5 Ų3.51%0.0052%0.016CC..THydrogen-bonded Turntrans-62.5-24.7160.3-73178.2-171.300111.7Y80 L83 A84 Y87 L110 W118 E157 G159Y80-M161 HydrophobicContact CD1-CE 3.96Å; Y80-M161 HydrophobicContact CG-CE 4.18Å; L83-M161 HydrophobicContact CB-CE 3.9Å; L83-M161 HydrophobicContact CB-SD 3.95Å; L83-M161 HydrophobicContact CD1-CE 4.48Å; A84-M161 HydrophobicContact CB-SD 4.12Å; Y87-M161 HydrophobicContact CD2-CB 4.33Å; Y87-M161 HydrophobicContact CD2-SD 3.83Å; Y87-M161 HydrophobicContact CE2-CB 4.48Å; Y87-M161 HydrophobicContact CE2-SD 3.83Å; L110-M161 HydrophobicContact CD1-CB 4.41Å; L110-M161 HydrophobicContact CD2-CB 4.33Å; W118-M161 HydrophobicContact CB-CE 4.07Å; W118-M161 HydrophobicContact CB-CG 4.32Å; W118-M161 HydrophobicContact CB-SD 4.37Å; W118-M161 HydrophobicContact CD2-CE 4.06Å; W118-M161 HydrophobicContact CE3-CE 3.88Å; W118-M161 HydrophobicContact CE3-CG 4.35Å; W118-M161 HydrophobicContact CG-CE 4.14Å; W118-M161 WeakPolarHBondContact O-CG 3.38Å; E157-M161 WeakPolarHBondContact O-CG 3.23Å; E157-M161 PolarHBondContact O-N 2.65Å; E157-M161 VanDerWaalsContact O-N 3.11Å; G159-M161 PolarHBondContact O-N 3.46Å; G159-M161 VanDerWaalsContact O-N 3.17Å
162T98.9Very high98.9Very high0 Ų03.4 Ų3.40%02%0.016CC..THydrogen-bonded Turntrans-134-17.2177.962.40000114.8N106 A107 R134 G159 R160N106-T162 HydrophobicContact CB-CG2 4.02Å; N106-T162 PolarHBondContact ND2-O 3.22Å; A107-T162 HydrophobicContact CB-CG2 4.45Å; R134-T162 PolarHBondContact NH1-OG1 3.13Å; R134-T162 VanDerWaalsContact NH1-OG1 3.08Å; R134-T162 PolarHBondContact NH2-OG1 2.92Å; G159-T162 PolarHBondContact O-N 2.95Å; G159-T162 PolarHBondContact O-OG1 2.76Å; R160-T162 PolarHBondContact O-N 3.48Å
163H98.8Very high98.9Very high5 Ų53.2 Ų3.22%0.0232%0.015CC..  trans-131.669.7-175-71.970.1000109.4S103 E126 G128 G130 A131 G159 H165S103-H163 PolarHBondContact OG-CE1 3.28Å; E126-H163 WeakPolarHBondContact O-CB 3.36Å; E126-H163 PolarHBondContact O-CD2 3.32Å; G128-H163 PolarHBondContact O-CD2 3.12Å; G130-H163 PolarHBondContact N-NE2 2.76Å; A131-H163 HydrophobicContact CB-CB 3.78Å; G159-H163 PolarHBondContact O-N 2.98Å; H163-H165 PolarHBondContact O-N 3.23Å
164H98.9Very high98.9Very high3 Ų31.3 Ų1.31%0.0141%0.006CC..  trans-81.462.3179.1-161.6168.3000111.3I120 P121 F122 N123 E126 R160 F212 N216I120-H164 HydrophobicContact CD1-CB 4.07Å; I120-H164 HydrophobicContact CG1-CB 3.9Å; I120-H164 PolarHBondContact O-ND1 2.78Å; P121-H164 WeakPolarHBondContact O-CB 3.34Å; P121-H164 PolarHBondContact O-ND1 2.88Å; F122-H164 WeakPolarHBondContact CA-O 3.33Å; F122-H164 WeakPolarHBondContact CD2-O 3.1Å; N123-H164 PolarHBondContact N-O 3.45Å; E126-H164 WeakPolarHBondContact OE2-CA 3.47Å; E126-H164 WeakPolarHBondContact OE2-CB 3.34Å; E126-H164 PolarHBondContact OE2-N 3.44Å; R160-H164 HydrophobicContact CB-CB 4.05Å; H164-F212 AromaticContact CE1-CD2 3.63Å; H164-N216 PolarHBondContact NE2-ND2 3.06Å; H164-N216 VanDerWaalsContact NE2-ND2 3.19Å
165H98.9Very high98.9Very high12 Ų121.3 Ų1.36%0.0561%0.006CC..SBendtrans-145.3137.7172-171.8-85.5000108.8F122 N123 E126 H163 T167 G168 Y169 H219F122-H165 AromaticContact CE2-CD2 3.67Å; F122-H165 AromaticContact CZ-CD2 3.54Å; N123-H165 PolarHBondContact O-CD2 3.37Å; E126-H165 HydrophobicContact CB-CB 4.03Å; E126-H165 WeakPolarHBondContact O-CB 3.5Å; H163-H165 PolarHBondContact O-N 3.23Å; H165-T167 VanDerWaalsContact C-N 3.28Å; H165-T167 PolarHBondContact CE1-OG1 3.41Å; H165-T167 WeakPolarHBondContact ND1-CB 3.49Å; H165-T167 PolarHBondContact ND1-N 3.09Å; H165-T167 VanDerWaalsContact ND1-N 3.15Å; H165-T167 PolarHBondContact ND1-OG1 3.08Å; H165-T167 PolarHBondContact O-N 3.23Å; H165-G168 WeakPolarHBondContact O-CA 3.42Å; H165-G168 PolarHBondContact O-N 3.08Å; H165-Y169 VanDerWaalsContact C-CD1 3.43Å; H165-Y169 WeakPolarHBondContact O-CD1 3.33Å; H165-Y169 WeakPolarHBondContact O-CE1 3.33Å; H165-Y169 PolarHBondContact O-N 3.04Å; H165-H219 AromaticContact NE2-CD2 3.29Å; H165-H219 PolarHBondContact NE2-CD2 2.92Å; H165-H219 VanDerWaalsContact NE2-CD2 3.29Å; H165-H219 AromaticContact NE2-CG 3.61Å
166P98.9Very high98.9Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-56.5-38.2-176.919.6-31.8000113.7G168 Y169 L170 H219 W220P166-G168 PolarHBondContact O-N 3.37Å; P166-Y169 VanDerWaalsContact CA-CE1 3.48Å; P166-Y169 HydrophobicContact CB-CE1 4.29Å; P166-Y169 HydrophobicContact CB-CE2 4.26Å; P166-Y169 VanDerWaalsContact N-CE1 3.32Å; P166-L170 HydrophobicContact CB-CD1 4.03Å; P166-L170 HydrophobicContact CB-CG 4.49Å; P166-L170 WeakPolarHBondContact O-CB 3.26Å; P166-L170 WeakPolarHBondContact O-CG 3.19Å; P166-L170 PolarHBondContact O-N 2.95Å; P166-H219 HydrophobicContact CG-CB 3.62Å; P166-H219 WeakPolarHBondContact CG-O 3.5Å; P166-W220 HydrophobicContact CB-CE3 4.12Å
167T98.9Very high98.9Very high2 Ų21.3 Ų1.31%0.0121%0.006CC..Hα-helixtrans-55.8-37.4172.9-51.80000112.7H165 Y222 G271 H272H165-T167 VanDerWaalsContact C-N 3.28Å; H165-T167 PolarHBondContact CE1-OG1 3.41Å; H165-T167 WeakPolarHBondContact ND1-CB 3.49Å; H165-T167 PolarHBondContact ND1-N 3.09Å; H165-T167 VanDerWaalsContact ND1-N 3.15Å; H165-T167 PolarHBondContact ND1-OG1 3.08Å; H165-T167 PolarHBondContact O-N 3.23Å; T167-Y222 HydrophobicContact CG2-CD1 3.88Å; T167-Y222 HydrophobicContact CG2-CE1 3.95Å; T167-Y222 WeakPolarHBondContact OG1-CD1 3.29Å; T167-G271 CarbonylContact O-C 3.42Å; T167-G271 WeakPolarHBondContact O-CA 3.49Å; T167-H272 HydrophobicContact CG2-CB 4.13Å; T167-H272 PolarHBondContact O-N 3.5Å
168G98.9Very high98.9Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-77.5-62.6179.800000112.5H165 P166 L170 G171 A172H165-G168 WeakPolarHBondContact O-CA 3.42Å; H165-G168 PolarHBondContact O-N 3.08Å; P166-G168 PolarHBondContact O-N 3.37Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 2.99Å; G168-G171 WeakPolarHBondContact O-CA 3.34Å; G168-G171 PolarHBondContact O-N 3.36Å; G168-A172 PolarHBondContact O-N 3.12Å
169Y98.9Very high98.9Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-71.8-22.2-173.564.9-111.2000114.3I156 R160 H165 P166 G171 A172 L173 I206 N216 W220I156-Y169 HydrophobicContact CB-CD2 4.48Å; I156-Y169 HydrophobicContact CG1-CD2 4.1Å; I156-Y169 HydrophobicContact CG2-CD2 4.02Å; I156-Y169 HydrophobicContact CG2-CE2 4.37Å; I156-Y169 HydrophobicContact CG2-CG 4.39Å; R160-Y169 HydrophobicContact CB-CD1 4.04Å; H165-Y169 VanDerWaalsContact C-CD1 3.43Å; H165-Y169 WeakPolarHBondContact O-CD1 3.33Å; H165-Y169 WeakPolarHBondContact O-CE1 3.33Å; H165-Y169 PolarHBondContact O-N 3.04Å; P166-Y169 VanDerWaalsContact CA-CE1 3.48Å; P166-Y169 HydrophobicContact CB-CE1 4.29Å; P166-Y169 HydrophobicContact CB-CE2 4.26Å; P166-Y169 VanDerWaalsContact N-CE1 3.32Å; Y169-G171 PolarHBondContact O-N 2.87Å; Y169-A172 WeakPolarHBondContact O-CB 3.41Å; Y169-A172 PolarHBondContact O-N 2.94Å; Y169-L173 PolarHBondContact O-N 3.38Å; Y169-L173 VanDerWaalsContact O-N 3.12Å; Y169-I206 HydrophobicContact CE2-CD1 4.07Å; Y169-I206 HydrophobicContact CE2-CG1 4.26Å; Y169-N216 WeakPolarHBondContact CE1-OD1 3.35Å; Y169-N216 PolarHBondContact OH-OD1 2.91Å; Y169-W220 HydrophobicContact CE2-CZ3 4.17Å
170L98.9Very high98.9Very high0 Ų01.5 Ų1.50%01%0.008CC..Hα-helixtrans-72.7-20.8170.4-62.6175000111.8P166 G168 L173 A174 L199 A202 W220 F223P166-L170 HydrophobicContact CB-CD1 4.03Å; P166-L170 HydrophobicContact CB-CG 4.49Å; P166-L170 WeakPolarHBondContact O-CB 3.26Å; P166-L170 WeakPolarHBondContact O-CG 3.19Å; P166-L170 PolarHBondContact O-N 2.95Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 2.99Å; L170-L173 HydrophobicContact CD2-CD2 4Å; L170-L173 WeakPolarHBondContact O-CB 3.1Å; L170-L173 PolarHBondContact O-N 2.84Å; L170-A174 PolarHBondContact O-N 2.66Å; L170-L199 HydrophobicContact CD1-CD2 4.14Å; L170-L199 HydrophobicContact CD2-CD2 4.04Å; L170-A202 HydrophobicContact CD2-CB 4.19Å; L170-W220 HydrophobicContact CD1-CD2 4.28Å; L170-W220 HydrophobicContact CD1-CE3 4.28Å; L170-W220 HydrophobicContact CD1-CH2 3.92Å; L170-W220 HydrophobicContact CD1-CZ2 3.87Å; L170-W220 HydrophobicContact CD1-CZ3 4.11Å; L170-W220 HydrophobicContact CD2-CH2 3.64Å; L170-W220 HydrophobicContact CD2-CZ2 4.08Å; L170-W220 HydrophobicContact CD2-CZ3 4.22Å; L170-W220 HydrophobicContact CG-CH2 4.31Å; L170-F223 VanDerWaalsContact C-CE2 3.47Å; L170-F223 HydrophobicContact CB-CD1 3.84Å; L170-F223 HydrophobicContact CB-CD2 3.71Å; L170-F223 HydrophobicContact CB-CE1 3.8Å; L170-F223 HydrophobicContact CB-CE2 3.64Å; L170-F223 HydrophobicContact CB-CG 3.81Å; L170-F223 HydrophobicContact CB-CZ 3.7Å; L170-F223 HydrophobicContact CD1-CB 4.03Å; L170-F223 HydrophobicContact CD1-CD1 3.86Å; L170-F223 HydrophobicContact CD1-CE1 4.5Å; L170-F223 HydrophobicContact CD1-CG 3.92Å; L170-F223 WeakPolarHBondContact O-CZ 3.2Å
171G98.9Very high98.9Very high0 Ų02.5 Ų2.50%01%0.012CC..Hα-helixtrans-65.8-37.2166.200000112.9A132 G168 Y169 A174 S175 G271A132-G171 VanDerWaalsContact CB-C 3.49Å; A132-G171 WeakPolarHBondContact CB-O 3.49Å; G168-G171 WeakPolarHBondContact O-CA 3.34Å; G168-G171 PolarHBondContact O-N 3.36Å; Y169-G171 PolarHBondContact O-N 2.87Å; G171-A174 PolarHBondContact O-N 3.17Å; G171-S175 WeakPolarHBondContact O-CB 3.36Å; G171-S175 PolarHBondContact O-N 3.08Å; G171-S175 PolarHBondContact O-OG 3.26Å; G171-G271 WeakPolarHBondContact CA-O 3.41Å
172A99Very high98.9Very high0 Ų02.8 Ų2.80%01%0.014CC..Hα-helixtrans-63.6-42.817100000111.5A131 A135 S155 G168 Y169 S175 A176A131-A172 HydrophobicContact CB-CB 4.24Å; A131-A172 WeakPolarHBondContact O-CB 3.32Å; A135-A172 HydrophobicContact CB-CB 3.67Å; A135-A172 WeakPolarHBondContact CB-O 3.43Å; S155-A172 WeakPolarHBondContact O-CB 3.41Å; G168-A172 PolarHBondContact O-N 3.12Å; Y169-A172 WeakPolarHBondContact O-CB 3.41Å; Y169-A172 PolarHBondContact O-N 2.94Å; A172-S175 PolarHBondContact O-N 3.37Å; A172-A176 WeakPolarHBondContact O-CB 3.27Å; A172-A176 PolarHBondContact O-N 3.08Å
173L99Very high98.9Very high0 Ų04.8 Ų4.80%03%0.026CC..Hα-helixtrans-58.3-49.5173.817662.2000111.5L151 I152 Y169 L170 S175 A176 L177 L195 L199 A202L151-L173 HydrophobicContact CD2-CD1 3.88Å; I152-L173 HydrophobicContact CG1-CD1 4.07Å; Y169-L173 PolarHBondContact O-N 3.38Å; Y169-L173 VanDerWaalsContact O-N 3.12Å; L170-L173 HydrophobicContact CD2-CD2 4Å; L170-L173 WeakPolarHBondContact O-CB 3.1Å; L170-L173 PolarHBondContact O-N 2.84Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 2.85Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.01Å; L173-L195 HydrophobicContact CD2-CD1 4.24Å; L173-L195 HydrophobicContact CG-CD1 4.2Å; L173-L199 HydrophobicContact CD2-CD2 4.41Å; L173-A202 HydrophobicContact CD2-CB 3.75Å
174A98.9Very high98.9Very high0 Ų08.9 Ų8.90%05%0.048CC..Hα-helixtrans-58.3-4617800000111.8L170 G171 L177 F178 L195 F223 W227 P275L170-A174 PolarHBondContact O-N 2.66Å; G171-A174 PolarHBondContact O-N 3.17Å; A174-L177 PolarHBondContact O-N 2.77Å; A174-F178 WeakPolarHBondContact O-CB 3.28Å; A174-F178 WeakPolarHBondContact O-CG 3.47Å; A174-F178 PolarHBondContact O-N 2.94Å; A174-L195 HydrophobicContact CB-CD1 4.3Å; A174-L195 HydrophobicContact CB-CD2 3.88Å; A174-F223 HydrophobicContact CB-CZ 4.41Å; A174-W227 HydrophobicContact CB-CZ2 4.15Å; A174-P275 HydrophobicContact CB-CB 4.05Å; A174-P275 HydrophobicContact CB-CG 4.11Å
175S99Very high98.9Very high0 Ų012.8 Ų12.80%08%0.081CC..Hα-helixtrans-60.2-48.2179.4-59.80000112.9A132 G171 A172 L173 T179 W313A132-S175 VanDerWaalsContact O-CB 3.28Å; A132-S175 WeakPolarHBondContact O-CB 3.47Å; A132-S175 PolarHBondContact O-OG 2.98Å; A132-S175 VanDerWaalsContact O-OG 3.12Å; G171-S175 WeakPolarHBondContact O-CB 3.36Å; G171-S175 PolarHBondContact O-N 3.08Å; G171-S175 PolarHBondContact O-OG 3.26Å; A172-S175 PolarHBondContact O-N 3.37Å; L173-S175 VanDerWaalsContact C-N 3.34Å; L173-S175 PolarHBondContact O-N 2.93Å; S175-T179 PolarHBondContact O-N 3.38Å; S175-T179 PolarHBondContact O-OG1 3.19Å; S175-W313 PolarHBondContact O-NE1 3.14Å
176A99Very high98.9Very high0 Ų015.2 Ų15.20%09%0.089CC..Hα-helixtrans-66.8-47.3176.400000111.9I138 G139 L151 A172 L173 F178 T179 A180I138-A176 HydrophobicContact CB-CB 3.87Å; I138-A176 HydrophobicContact CG2-CB 4.11Å; G139-A176 VanDerWaalsContact CA-O 3.26Å; G139-A176 WeakPolarHBondContact CA-O 3.44Å; L151-A176 HydrophobicContact CD2-CB 4.07Å; L151-A176 HydrophobicContact CG-CB 4.18Å; A172-A176 WeakPolarHBondContact O-CB 3.27Å; A172-A176 PolarHBondContact O-N 3.08Å; L173-A176 PolarHBondContact O-N 2.85Å; A176-F178 PolarHBondContact O-N 3.08Å; A176-T179 WeakPolarHBondContact O-CB 3.44Å; A176-T179 PolarHBondContact O-N 2.56Å; A176-A180 PolarHBondContact O-N 3.16Å
177L98.9Very high98.9Very high0 Ų018.1 Ų18.10%011%0.108CC..Hα-helixtrans-63.7-44.8-175.1-177.462.7000111.9L148 L151 L173 A174 T179 A180 Y181 L195 L198L148-L177 HydrophobicContact CD1-CD1 3.8Å; L151-L177 HydrophobicContact CD2-CB 4.17Å; L151-L177 HydrophobicContact CD2-CD1 4.3Å; L173-L177 WeakPolarHBondContact O-CB 3.43Å; L173-L177 PolarHBondContact O-N 3.01Å; A174-L177 PolarHBondContact O-N 2.77Å; L177-T179 VanDerWaalsContact C-N 3.27Å; L177-T179 PolarHBondContact O-N 2.76Å; L177-A180 WeakPolarHBondContact O-CB 3.48Å; L177-A180 PolarHBondContact O-N 3.11Å; L177-Y181 HydrophobicContact CD1-CD1 4.35Å; L177-Y181 HydrophobicContact CD1-CE1 3.63Å; L177-Y181 HydrophobicContact CD1-CE2 4.16Å; L177-Y181 HydrophobicContact CD2-CE2 3.98Å; L177-Y181 HydrophobicContact CG-CD2 4.27Å; L177-Y181 HydrophobicContact CG-CE1 4.09Å; L177-Y181 HydrophobicContact CG-CE2 3.68Å; L177-Y181 PolarHBondContact O-N 3.5Å; L177-L195 HydrophobicContact CD2-CB 4.22Å; L177-L195 HydrophobicContact CD2-CD1 4.07Å; L177-L198 HydrophobicContact CD1-CD2 3.86Å; L177-L198 HydrophobicContact CD2-CB 4.49Å; L177-L198 HydrophobicContact CD2-CD2 3.89Å
178F98.9Very high98.9Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-70.4-29.9-179.5-72.29.5000111.4A174 A176 Y181 A182 W191 L195 W227 Y279 W313A174-F178 WeakPolarHBondContact O-CB 3.28Å; A174-F178 WeakPolarHBondContact O-CG 3.47Å; A174-F178 PolarHBondContact O-N 2.94Å; A176-F178 PolarHBondContact O-N 3.08Å; F178-Y181 AromaticContact CD1-CD2 3.87Å; F178-Y181 HydrophobicContact CD1-CD2 3.87Å; F178-Y181 HydrophobicContact CD1-CE2 4.13Å; F178-Y181 HydrophobicContact CE1-CD2 4.38Å; F178-Y181 HydrophobicContact CE1-CE2 4.29Å; F178-Y181 PolarHBondContact O-N 3.26Å; F178-A182 WeakPolarHBondContact O-CB 3.49Å; F178-A182 PolarHBondContact O-N 2.85Å; F178-W191 HydrophobicContact CB-CD2 4.35Å; F178-W191 HydrophobicContact CB-CE3 3.8Å; F178-W191 HydrophobicContact CB-CZ3 4.2Å; F178-W191 HydrophobicContact CD1-CB 3.8Å; F178-W191 HydrophobicContact CD1-CG 4.4Å; F178-W191 HydrophobicContact CD2-CB 4.16Å; F178-W191 HydrophobicContact CD2-CD2 4.46Å; F178-W191 AromaticContact CD2-CE3 3.7Å; F178-W191 HydrophobicContact CD2-CE3 3.7Å; F178-W191 VanDerWaalsContact CE1-C 3.47Å; F178-W191 HydrophobicContact CE1-CB 3.64Å; F178-W191 WeakPolarHBondContact CE1-O 3.2Å; F178-W191 HydrophobicContact CE2-CB 4.01Å; F178-W191 HydrophobicContact CE2-CE3 4.43Å; F178-W191 HydrophobicContact CG-CB 4.08Å; F178-W191 HydrophobicContact CG-CD2 4.27Å; F178-W191 AromaticContact CG-CE3 3.8Å; F178-W191 HydrophobicContact CG-CE3 3.8Å; F178-W191 HydrophobicContact CG-CG 4.44Å; F178-W191 HydrophobicContact CZ-CB 3.76Å; F178-L195 HydrophobicContact CE1-CB 3.86Å; F178-L195 HydrophobicContact CE1-CD2 4.49Å; F178-L195 HydrophobicContact CZ-CB 4.16Å; F178-L195 HydrophobicContact CZ-CD2 4.24Å; F178-W227 AromaticContact CE2-CH2 3.64Å; F178-W227 HydrophobicContact CE2-CH2 3.64Å; F178-W227 AromaticContact CE2-CZ3 3.87Å; F178-W227 HydrophobicContact CE2-CZ3 3.87Å; F178-W227 AromaticContact CZ-CH2 3.86Å; F178-W227 HydrophobicContact CZ-CH2 3.86Å; F178-W227 AromaticContact CZ-CZ3 3.76Å; F178-W227 HydrophobicContact CZ-CZ3 3.76Å; F178-Y279 HydrophobicContact CD2-CD2 4.21Å; F178-Y279 HydrophobicContact CD2-CG 4.41Å; F178-Y279 HydrophobicContact CE2-CD1 4.22Å; F178-Y279 AromaticContact CE2-CD2 3.94Å; F178-Y279 HydrophobicContact CE2-CD2 3.94Å; F178-Y279 HydrophobicContact CE2-CE2 4.36Å; F178-Y279 AromaticContact CE2-CG 3.86Å; F178-Y279 HydrophobicContact CE2-CG 3.86Å; F178-W313 HydrophobicContact CB-CD2 4.19Å; F178-W313 HydrophobicContact CB-CH2 4.23Å; F178-W313 HydrophobicContact CB-CZ2 3.56Å; F178-W313 AromaticContact CD2-CH2 3.49Å; F178-W313 HydrophobicContact CD2-CH2 3.49Å; F178-W313 VanDerWaalsContact CD2-CH2 3.49Å; F178-W313 AromaticContact CD2-CZ2 3.68Å; F178-W313 HydrophobicContact CD2-CZ2 3.68Å; F178-W313 AromaticContact CD2-CZ3 4Å; F178-W313 HydrophobicContact CD2-CZ3 4Å; F178-W313 HydrophobicContact CE2-CH2 4.29Å; F178-W313 HydrophobicContact CG-CH2 4.28Å; F178-W313 HydrophobicContact CG-CZ2 4.01Å
179T99Very high98.9Very high0 Ų021.8 Ų21.80%013%0.13CC..Hα-helixtrans-64.3-45.3170.1-52.80000111.4M136 L140 S175 A176 L177 Y181 A182 V183 W313 V316M136-T179 WeakPolarHBondContact CA-OG1 3.11Å; M136-T179 VanDerWaalsContact CB-OG1 3.31Å; M136-T179 WeakPolarHBondContact CB-OG1 3.38Å; M136-T179 VanDerWaalsContact O-CB 3.28Å; M136-T179 WeakPolarHBondContact O-CB 3.4Å; M136-T179 VanDerWaalsContact O-CG2 3.24Å; M136-T179 WeakPolarHBondContact O-CG2 3.36Å; M136-T179 PolarHBondContact O-OG1 2.86Å; L140-T179 HydrophobicContact CD2-CG2 3.55Å; L140-T179 HydrophobicContact CG-CG2 3.71Å; S175-T179 PolarHBondContact O-N 3.38Å; S175-T179 PolarHBondContact O-OG1 3.19Å; A176-T179 WeakPolarHBondContact O-CB 3.44Å; A176-T179 PolarHBondContact O-N 2.56Å; L177-T179 VanDerWaalsContact C-N 3.27Å; L177-T179 PolarHBondContact O-N 2.76Å; T179-Y181 VanDerWaalsContact C-N 3.32Å; T179-Y181 PolarHBondContact O-N 3.37Å; T179-A182 PolarHBondContact O-N 3Å; T179-V183 WeakPolarHBondContact O-CG2 3.39Å; T179-V183 PolarHBondContact O-N 2.7Å; T179-W313 PolarHBondContact OG1-NE1 3.23Å; T179-W313 VanDerWaalsContact OG1-NE1 3.14Å; T179-V316 HydrophobicContact CG2-CG2 4.18Å
180A98.9Very high98.9Very high4 Ų424.8 Ų24.83%0.03314%0.144CC..Hα-helixtrans-61.8-39.7174.400000111.8L151 A176 L177 V183 N184L151-A180 HydrophobicContact CD1-CB 3.67Å; A176-A180 PolarHBondContact O-N 3.16Å; L177-A180 WeakPolarHBondContact O-CB 3.48Å; L177-A180 PolarHBondContact O-N 3.11Å; A180-V183 PolarHBondContact O-N 3.18Å; A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 VanDerWaalsContact O-N 3.09Å; A180-N184 PolarHBondContact O-ND2 3.29Å
181Y98.9Very high98.9Very high26 Ų2624.8 Ų24.810%0.10214%0.144CC..Hα-helixtrans-62-43.2174-69.7-14.9000112.7L177 F178 T179 N184 A185 R186 W191 G194L177-Y181 HydrophobicContact CD1-CD1 4.35Å; L177-Y181 HydrophobicContact CD1-CE1 3.63Å; L177-Y181 HydrophobicContact CD1-CE2 4.16Å; L177-Y181 HydrophobicContact CD2-CE2 3.98Å; L177-Y181 HydrophobicContact CG-CD2 4.27Å; L177-Y181 HydrophobicContact CG-CE1 4.09Å; L177-Y181 HydrophobicContact CG-CE2 3.68Å; L177-Y181 PolarHBondContact O-N 3.5Å; F178-Y181 AromaticContact CD1-CD2 3.87Å; F178-Y181 HydrophobicContact CD1-CD2 3.87Å; F178-Y181 HydrophobicContact CD1-CE2 4.13Å; F178-Y181 HydrophobicContact CE1-CD2 4.38Å; F178-Y181 HydrophobicContact CE1-CE2 4.29Å; F178-Y181 PolarHBondContact O-N 3.26Å; T179-Y181 VanDerWaalsContact C-N 3.32Å; T179-Y181 PolarHBondContact O-N 3.37Å; Y181-N184 CarbonylContact O-C 3.58Å; Y181-N184 PolarHBondContact O-N 3.44Å; Y181-A185 PolarHBondContact O-N 2.54Å; Y181-R186 VanDerWaalsContact CE1-NH1 3.31Å; Y181-R186 HydrophobicContact CG-CB 4.48Å; Y181-R186 PolarHBondContact O-N 3.04Å; Y181-R186 PolarHBondContact OH-NH1 3.14Å; Y181-R186 VanDerWaalsContact OH-NH1 3.09Å; Y181-W191 HydrophobicContact CD2-CB 3.93Å; Y181-W191 AromaticContact CD2-CD1 3.69Å; Y181-W191 AromaticContact CD2-CG 3.79Å; Y181-W191 HydrophobicContact CD2-CG 3.79Å; Y181-W191 HydrophobicContact CE2-CB 4.47Å; Y181-W191 HydrophobicContact CG-CG 4.5Å; Y181-G194 WeakPolarHBondContact OH-CA 3.48Å
182A98.9Very high98.9Very high6 Ų624.8 Ų24.85%0.0514%0.144CC..Hα-helixtrans-62.4-41.5175.100000111.9F178 T179 N184 A185 W191 V316 M317F178-A182 WeakPolarHBondContact O-CB 3.49Å; F178-A182 PolarHBondContact O-N 2.85Å; T179-A182 PolarHBondContact O-N 3Å; A182-N184 VanDerWaalsContact C-N 3.26Å; A182-N184 PolarHBondContact O-N 3.24Å; A182-A185 PolarHBondContact O-N 3.44Å; A182-A185 VanDerWaalsContact O-N 3.07Å; A182-W191 HydrophobicContact CB-CH2 3.95Å; A182-W191 HydrophobicContact CB-CZ2 3.88Å; A182-V316 VanDerWaalsContact C-CG1 3.41Å; A182-V316 HydrophobicContact CB-CB 3.89Å; A182-V316 HydrophobicContact CB-CG1 3.61Å; A182-M317 HydrophobicContact CB-CG 3.93Å
183V98.9Very high98.9Very high43 Ų4327 Ų2726%0.26115%0.153SC..Hα-helixtrans-59.7-39.9176.6169.70000110.9Y4 L140 P143 T179 A180 A185 V316Y4-V183 HydrophobicContact CE2-CG1 4.29Å; Y4-V183 HydrophobicContact CE2-CG2 4.08Å; L140-V183 HydrophobicContact CD2-CG2 3.77Å; P143-V183 HydrophobicContact CB-CB 4.09Å; P143-V183 HydrophobicContact CB-CG1 3.66Å; P143-V183 HydrophobicContact CG-CG1 4.23Å; T179-V183 WeakPolarHBondContact O-CG2 3.39Å; T179-V183 PolarHBondContact O-N 2.7Å; A180-V183 PolarHBondContact O-N 3.18Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 2.85Å; V183-V316 HydrophobicContact CB-CG1 4.34Å; V183-V316 HydrophobicContact CG2-CG1 3.75Å
184N98.8Very high98.9Very high90 Ų9027.1 Ų27.148%0.48115%0.154SC..THydrogen-bonded Turntrans-85.510.3179-66.1-60.4000114P143 A180 Y181 A182 R186P143-N184 PolarHBondContact O-ND2 3.48Å; A180-N184 PolarHBondContact O-N 2.96Å; A180-N184 VanDerWaalsContact O-N 3.09Å; A180-N184 PolarHBondContact O-ND2 3.29Å; Y181-N184 CarbonylContact O-C 3.58Å; Y181-N184 PolarHBondContact O-N 3.44Å; A182-N184 VanDerWaalsContact C-N 3.26Å; A182-N184 PolarHBondContact O-N 3.24Å; N184-R186 PolarHBondContact O-N 2.97Å; N184-R186 VanDerWaalsContact O-N 3.11Å
185A98.7Very high98.9Very high85 Ų8527.1 Ų27.170%0.70215%0.154SC*.THydrogen-bonded Turntrans52.631.3-178.600000114Y181 A182 V183Y181-A185 PolarHBondContact O-N 2.54Å; A182-A185 PolarHBondContact O-N 3.44Å; A182-A185 VanDerWaalsContact O-N 3.07Å; V183-A185 VanDerWaalsContact C-N 3.25Å; V183-A185 PolarHBondContact O-N 2.85Å
186R98.8Very high98.9Very high63 Ų6328.5 Ų28.524%0.23816%0.161CC..  trans-66.8130.7172.5-172.8177.7-170.4178.71.4108.4Y181 N184 Q190 W191Y181-R186 VanDerWaalsContact CE1-NH1 3.31Å; Y181-R186 HydrophobicContact CG-CB 4.48Å; Y181-R186 PolarHBondContact O-N 3.04Å; Y181-R186 PolarHBondContact OH-NH1 3.14Å; Y181-R186 VanDerWaalsContact OH-NH1 3.09Å; N184-R186 PolarHBondContact O-N 2.97Å; N184-R186 VanDerWaalsContact O-N 3.11Å; R186-Q190 HydrophobicContact CG-CB 4.15Å; R186-W191 PolarHBondContact O-NE1 3.29Å
187P98.9Very high98.9Very high61 Ų6134 Ų3440%0.39619%0.186SC..  trans-55.7132.3-179.9-2634000111.8L189 Q190 W191P187-L189 HydrophobicContact CB-CG 4.22Å; P187-L189 PolarHBondContact O-N 3.41Å; P187-L189 VanDerWaalsContact O-N 3.15Å; P187-Q190 HydrophobicContact CB-CG 4.27Å; P187-Q190 WeakPolarHBondContact O-CB 3.39Å; P187-Q190 PolarHBondContact O-N 2.85Å; P187-W191 VanDerWaalsContact O-CD1 3.29Å; P187-W191 PolarHBondContact O-NE1 3.28Å
188P98.9Very high98.8Very high33 Ų3334.8 Ų34.821%0.21419%0.191CC..G310 helixtrans-51-40.1-177.5-32.637.6000114.5Q190 W191 Y279 V282 L283 M317P188-Q190 PolarHBondContact O-N 3.28Å; P188-W191 HydrophobicContact CB-CD2 4.33Å; P188-W191 HydrophobicContact CB-CH2 4.47Å; P188-W191 HydrophobicContact CB-CZ2 4.22Å; P188-W191 HydrophobicContact CG-CH2 4.24Å; P188-W191 HydrophobicContact CG-CZ2 3.87Å; P188-W191 WeakPolarHBondContact O-CB 3.43Å; P188-W191 VanDerWaalsContact O-CG 3.27Å; P188-W191 PolarHBondContact O-N 3.37Å; P188-Y279 VanDerWaalsContact O-CE2 3.25Å; P188-Y279 WeakPolarHBondContact O-CE2 3.42Å; P188-Y279 PolarHBondContact O-OH 3.42Å; P188-V282 HydrophobicContact CB-CG1 4.06Å; P188-V282 HydrophobicContact CG-CG1 4.25Å; P188-L283 HydrophobicContact CB-CD2 3.98Å; P188-M317 HydrophobicContact CG-SD 3.79Å
189L98.6Very high98.8Very high47 Ų4734.9 Ų34.925%0.24619%0.191CC..G310 helixtrans-54.1-20.6177.865.987000114.7P187 G239P187-L189 HydrophobicContact CB-CG 4.22Å; P187-L189 PolarHBondContact O-N 3.41Å; P187-L189 VanDerWaalsContact O-N 3.15Å; L189-G239 WeakPolarHBondContact CD1-O 3.45Å
190Q98.9Very high98.8Very high63 Ų6338.5 Ų38.529%0.29421%0.214SC..G310 helixtrans-90.3-12.4-179.8-56.1-170.6-9.300114.1R186 P187 P188 K193 G194 G239R186-Q190 HydrophobicContact CG-CB 4.15Å; P187-Q190 HydrophobicContact CB-CG 4.27Å; P187-Q190 WeakPolarHBondContact O-CB 3.39Å; P187-Q190 PolarHBondContact O-N 2.85Å; P188-Q190 PolarHBondContact O-N 3.28Å; Q190-K193 PolarHBondContact O-N 3.41Å; Q190-G194 PolarHBondContact O-N 3.33Å; Q190-G194 VanDerWaalsContact O-N 3.13Å; Q190-G239 WeakPolarHBondContact CG-O 3.22Å
191W98.9Very high98.8Very high0 Ų041.9 Ų41.90%023%0.23CC..Hα-helixtrans-66.7-44.4-167.6-65.72.9000111.4F178 Y181 A182 R186 P187 P188 K193 G194 L195 Y279 V282 W313 M317F178-W191 HydrophobicContact CB-CD2 4.35Å; F178-W191 HydrophobicContact CB-CE3 3.8Å; F178-W191 HydrophobicContact CB-CZ3 4.2Å; F178-W191 HydrophobicContact CD1-CB 3.8Å; F178-W191 HydrophobicContact CD1-CG 4.4Å; F178-W191 HydrophobicContact CD2-CB 4.16Å; F178-W191 HydrophobicContact CD2-CD2 4.46Å; F178-W191 AromaticContact CD2-CE3 3.7Å; F178-W191 HydrophobicContact CD2-CE3 3.7Å; F178-W191 VanDerWaalsContact CE1-C 3.47Å; F178-W191 HydrophobicContact CE1-CB 3.64Å; F178-W191 WeakPolarHBondContact CE1-O 3.2Å; F178-W191 HydrophobicContact CE2-CB 4.01Å; F178-W191 HydrophobicContact CE2-CE3 4.43Å; F178-W191 HydrophobicContact CG-CB 4.08Å; F178-W191 HydrophobicContact CG-CD2 4.27Å; F178-W191 AromaticContact CG-CE3 3.8Å; F178-W191 HydrophobicContact CG-CE3 3.8Å; F178-W191 HydrophobicContact CG-CG 4.44Å; F178-W191 HydrophobicContact CZ-CB 3.76Å; Y181-W191 HydrophobicContact CD2-CB 3.93Å; Y181-W191 AromaticContact CD2-CD1 3.69Å; Y181-W191 AromaticContact CD2-CG 3.79Å; Y181-W191 HydrophobicContact CD2-CG 3.79Å; Y181-W191 HydrophobicContact CE2-CB 4.47Å; Y181-W191 HydrophobicContact CG-CG 4.5Å; A182-W191 HydrophobicContact CB-CH2 3.95Å; A182-W191 HydrophobicContact CB-CZ2 3.88Å; R186-W191 PolarHBondContact O-NE1 3.29Å; P187-W191 VanDerWaalsContact O-CD1 3.29Å; P187-W191 PolarHBondContact O-NE1 3.28Å; P188-W191 HydrophobicContact CB-CD2 4.33Å; P188-W191 HydrophobicContact CB-CH2 4.47Å; P188-W191 HydrophobicContact CB-CZ2 4.22Å; P188-W191 HydrophobicContact CG-CH2 4.24Å; P188-W191 HydrophobicContact CG-CZ2 3.87Å; P188-W191 WeakPolarHBondContact O-CB 3.43Å; P188-W191 VanDerWaalsContact O-CG 3.27Å; P188-W191 PolarHBondContact O-N 3.37Å; W191-K193 PolarHBondContact O-N 3.4Å; W191-G194 WeakPolarHBondContact O-CA 3.36Å; W191-G194 PolarHBondContact O-N 3.32Å; W191-G194 VanDerWaalsContact O-N 3.12Å; W191-L195 PolarHBondContact O-N 3.47Å; W191-Y279 HydrophobicContact CB-CE2 3.79Å; W191-Y279 HydrophobicContact CD2-CE2 4.19Å; W191-Y279 AromaticContact CE3-CD2 3.76Å; W191-Y279 HydrophobicContact CE3-CD2 3.76Å; W191-Y279 AromaticContact CE3-CE2 3.78Å; W191-Y279 HydrophobicContact CE3-CE2 3.78Å; W191-Y279 HydrophobicContact CG-CE2 4.25Å; W191-Y279 HydrophobicContact CZ3-CD2 4.39Å; W191-V282 HydrophobicContact CH2-CG1 4.23Å; W191-V282 HydrophobicContact CZ3-CG1 4.04Å; W191-W313 HydrophobicContact CH2-CB 4.39Å; W191-W313 HydrophobicContact CZ3-CB 4.32Å; W191-W313 HydrophobicContact CZ3-CD2 4.34Å; W191-W313 HydrophobicContact CZ3-CE3 4.27Å; W191-W313 HydrophobicContact CZ3-CG 4.42Å; W191-M317 HydrophobicContact CH2-CE 3.85Å; W191-M317 HydrophobicContact CH2-SD 3.63Å; W191-M317 HydrophobicContact CZ2-SD 3.76Å
192G98.9Very high98.8Very high0 Ų040.7 Ų40.70%023%0.225CC..Hα-helixtrans-55.5-49.2176.900000113.8G194 L195 M196 Y279G192-G194 VanDerWaalsContact C-N 3.32Å; G192-G194 PolarHBondContact O-N 2.98Å; G192-L195 PolarHBondContact O-N 2.94Å; G192-M196 WeakPolarHBondContact O-CG 3.28Å; G192-M196 PolarHBondContact O-N 3.08Å; G192-M196 VanDerWaalsContact O-N 3.09Å; G192-Y279 PolarHBondContact N-OH 3.05Å
193K98.9Very high98.8Very high47 Ų4743.7 Ų43.720%0.20424%0.237CC..Hα-helixtrans-56.4-47.5173.4167.1168.5171.5-177.60111.5Q190 W191 L195 M196 E197 D238 E240Q190-K193 PolarHBondContact O-N 3.41Å; W191-K193 PolarHBondContact O-N 3.4Å; K193-L195 VanDerWaalsContact C-N 3.28Å; K193-L195 PolarHBondContact O-N 3.13Å; K193-M196 PolarHBondContact O-N 3.42Å; K193-M196 VanDerWaalsContact O-N 3.08Å; K193-E197 WeakPolarHBondContact CE-OE1 3.44Å; K193-E197 HydrophobicContact CG-CG 4.23Å; K193-E197 WeakPolarHBondContact O-CG 3.37Å; K193-E197 PolarHBondContact O-N 3.23Å; K193-D238 WeakPolarHBondContact CD-O 3.39Å; K193-D238 WeakPolarHBondContact CE-O 3.22Å; K193-D238 PolarHBondContact NZ-O 3Å; K193-E240 IonicContact NZ-OE1 3.85Å; K193-E240 PolarHBondContact NZ-OE1 3.3Å; K193-E240 VanDerWaalsContact NZ-OE1 3.08Å
194G98.9Very high98.8Very high1 Ų146.3 Ų46.31%0.0125%0.245CC..Hα-helixtrans-56.8-40.6178.600000113.1Y181 Q190 W191 G192 L198Y181-G194 WeakPolarHBondContact OH-CA 3.48Å; Q190-G194 PolarHBondContact O-N 3.33Å; Q190-G194 VanDerWaalsContact O-N 3.13Å; W191-G194 WeakPolarHBondContact O-CA 3.36Å; W191-G194 PolarHBondContact O-N 3.32Å; W191-G194 VanDerWaalsContact O-N 3.12Å; G192-G194 VanDerWaalsContact C-N 3.32Å; G192-G194 PolarHBondContact O-N 2.98Å; G194-L198 WeakPolarHBondContact O-CB 3.45Å; G194-L198 PolarHBondContact O-N 2.93Å
195L98.9Very high98.8Very high0 Ų043.1 Ų43.10%023%0.226CC..Hα-helixtrans-63.3-47.3173.5179.262.6000111.7L173 A174 L177 F178 W191 G192 K193 E197 L198 L199 F223 W227L173-L195 HydrophobicContact CD2-CD1 4.24Å; L173-L195 HydrophobicContact CG-CD1 4.2Å; A174-L195 HydrophobicContact CB-CD1 4.3Å; A174-L195 HydrophobicContact CB-CD2 3.88Å; L177-L195 HydrophobicContact CD2-CB 4.22Å; L177-L195 HydrophobicContact CD2-CD1 4.07Å; F178-L195 HydrophobicContact CE1-CB 3.86Å; F178-L195 HydrophobicContact CE1-CD2 4.49Å; F178-L195 HydrophobicContact CZ-CB 4.16Å; F178-L195 HydrophobicContact CZ-CD2 4.24Å; W191-L195 PolarHBondContact O-N 3.47Å; G192-L195 PolarHBondContact O-N 2.94Å; K193-L195 VanDerWaalsContact C-N 3.28Å; K193-L195 PolarHBondContact O-N 3.13Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 2.97Å; L195-L198 PolarHBondContact O-N 2.75Å; L195-L199 HydrophobicContact CD1-CD2 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.73Å; L195-L199 VanDerWaalsContact O-N 3.08Å; L195-F223 HydrophobicContact CD2-CE1 4.07Å; L195-F223 HydrophobicContact CD2-CZ 4.17Å; L195-W227 HydrophobicContact CD2-CD2 3.67Å; L195-W227 HydrophobicContact CD2-CE3 3.73Å; L195-W227 HydrophobicContact CD2-CG 4.3Å; L195-W227 HydrophobicContact CD2-CH2 4Å; L195-W227 HydrophobicContact CD2-CZ2 3.94Å; L195-W227 HydrophobicContact CD2-CZ3 3.89Å
196M98.9Very high98.8Very high29 Ų2939.1 Ų39.114%0.14319%0.193CC..Hα-helixtrans-61.3-40.2-179.2-63.5-57.990.700112.3G192 K193 L198 L199 P200 W227 E228 L231G192-M196 WeakPolarHBondContact O-CG 3.28Å; G192-M196 PolarHBondContact O-N 3.08Å; G192-M196 VanDerWaalsContact O-N 3.09Å; K193-M196 PolarHBondContact O-N 3.42Å; K193-M196 VanDerWaalsContact O-N 3.08Å; M196-L198 PolarHBondContact O-N 3.24Å; M196-L199 HydrophobicContact CE-CD1 3.66Å; M196-L199 HydrophobicContact CE-CG 4.3Å; M196-L199 HydrophobicContact SD-CD1 4.18Å; M196-P200 WeakPolarHBondContact O-CD 3.35Å; M196-W227 HydrophobicContact CE-CB 3.42Å; M196-W227 VanDerWaalsContact CE-CB 3.42Å; M196-W227 HydrophobicContact CE-CD2 4.39Å; M196-W227 HydrophobicContact CE-CG 3.96Å; M196-W227 HydrophobicContact SD-CB 3.86Å; M196-E228 HydrophobicContact SD-CG 3.82Å; M196-L231 HydrophobicContact CG-CD1 3.64Å; M196-L231 HydrophobicContact SD-CD1 4.35Å
197E98.8Very high98.8Very high115 Ų11539.5 Ų39.554%0.53720%0.202SC..Hα-helixtrans-66.2-25.7175.7-71.2174.6164.900112.8K193 L195 P200K193-E197 WeakPolarHBondContact CE-OE1 3.44Å; K193-E197 HydrophobicContact CG-CG 4.23Å; K193-E197 WeakPolarHBondContact O-CG 3.37Å; K193-E197 PolarHBondContact O-N 3.23Å; L195-E197 VanDerWaalsContact C-N 3.32Å; L195-E197 PolarHBondContact O-N 2.97Å; E197-P200 WeakPolarHBondContact O-CD 3.13Å
198L98.6Very high98.8Very high18 Ų1843.2 Ų43.29%0.09421%0.214CC..Hα-helixtrans-93.6-17.3-177-140.372.1000114.3L148 I152 L177 G194 L195 M196 P200 E201 A202L148-L198 HydrophobicContact CD1-CD2 3.74Å; L148-L198 HydrophobicContact CD2-CD1 3.56Å; L148-L198 HydrophobicContact CD2-CD2 4.31Å; L148-L198 HydrophobicContact CG-CD1 4.07Å; L148-L198 HydrophobicContact CG-CD2 4.02Å; I152-L198 HydrophobicContact CD1-CD1 4.39Å; I152-L198 HydrophobicContact CD1-CD2 3.82Å; I152-L198 HydrophobicContact CD1-CG 3.85Å; I152-L198 HydrophobicContact CG1-CD2 3.83Å; I152-L198 HydrophobicContact CG1-CG 4.33Å; L177-L198 HydrophobicContact CD1-CD2 3.86Å; L177-L198 HydrophobicContact CD2-CB 4.49Å; L177-L198 HydrophobicContact CD2-CD2 3.89Å; G194-L198 WeakPolarHBondContact O-CB 3.45Å; G194-L198 PolarHBondContact O-N 2.93Å; L195-L198 PolarHBondContact O-N 2.75Å; M196-L198 PolarHBondContact O-N 3.24Å; L198-P200 VanDerWaalsContact C-CD 3.45Å; L198-P200 VanDerWaalsContact C-N 3.32Å; L198-E201 PolarHBondContact O-N 3.43Å; L198-E201 VanDerWaalsContact O-N 3.09Å; L198-A202 PolarHBondContact O-N 2.97Å
199L98.9Very high98.8Very high2 Ų242.7 Ų42.71%0.0121%0.212CC..Hα-helixtrans-55.5-37.8176.1-70.3-176000113.6L170 L173 L195 M196 E201 A202 K203 W220 F223 Q224L170-L199 HydrophobicContact CD1-CD2 4.14Å; L170-L199 HydrophobicContact CD2-CD2 4.04Å; L173-L199 HydrophobicContact CD2-CD2 4.41Å; L195-L199 HydrophobicContact CD1-CD2 4.32Å; L195-L199 WeakPolarHBondContact O-CG 3.4Å; L195-L199 PolarHBondContact O-N 2.73Å; L195-L199 VanDerWaalsContact O-N 3.08Å; M196-L199 HydrophobicContact CE-CD1 3.66Å; M196-L199 HydrophobicContact CE-CG 4.3Å; M196-L199 HydrophobicContact SD-CD1 4.18Å; L199-E201 PolarHBondContact O-N 2.94Å; L199-A202 PolarHBondContact O-N 3.41Å; L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 PolarHBondContact O-N 2.93Å; L199-W220 HydrophobicContact CB-CZ2 4.23Å; L199-W220 HydrophobicContact CD2-CZ2 4.23Å; L199-W220 VanDerWaalsContact O-CZ2 3.25Å; L199-W220 WeakPolarHBondContact O-CZ2 3.3Å; L199-F223 HydrophobicContact CD1-CD1 4.41Å; L199-F223 HydrophobicContact CD2-CD1 4.37Å; L199-F223 HydrophobicContact CD2-CE1 4.19Å; L199-Q224 HydrophobicContact CD1-CB 3.91Å; L199-Q224 HydrophobicContact CD1-CG 3.88Å
200P98.9Very high98.8Very high75 Ų7542.9 Ų42.949%0.48722%0.224SC..Hα-helixtrans-58.9-40.9172.9-26.736.4000114.1M196 E197 L198 K203 K204M196-P200 WeakPolarHBondContact O-CD 3.35Å; E197-P200 WeakPolarHBondContact O-CD 3.13Å; L198-P200 VanDerWaalsContact C-CD 3.45Å; L198-P200 VanDerWaalsContact C-N 3.32Å; P200-K203 PolarHBondContact O-N 3.49Å; P200-K204 WeakPolarHBondContact O-CB 2.98Å; P200-K204 PolarHBondContact O-N 3.01Å
201E98.8Very high98.7Very high76 Ų7643.9 Ų43.936%0.35523%0.226SC..Hα-helixtrans-71.4-37.8177.3-64.9-55.3131.200111.6I152 L198 L199 K203 K204 Y205I152-E201 HydrophobicContact CD1-CB 3.97Å; L198-E201 PolarHBondContact O-N 3.43Å; L198-E201 VanDerWaalsContact O-N 3.09Å; L199-E201 PolarHBondContact O-N 2.94Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 3.47Å; E201-K204 WeakPolarHBondContact O-CB 3.43Å; E201-K204 PolarHBondContact O-N 2.8Å; E201-K204 WeakPolarHBondContact OE2-CD 3.18Å; E201-K204 IonicContact OE2-NZ 3.8Å; E201-K204 PolarHBondContact OE2-NZ 3.39Å; E201-Y205 PolarHBondContact O-N 2.76Å
202A98.8Very high98.7Very high0 Ų047.4 Ų47.40%024%0.242CC..Hα-helixtrans-58.8-43.217100000111.9I152 I156 L170 L173 L198 L199 Y205 I206 W220I152-A202 HydrophobicContact CG2-CB 4.22Å; I156-A202 HydrophobicContact CD1-CB 3.9Å; L170-A202 HydrophobicContact CD2-CB 4.19Å; L173-A202 HydrophobicContact CD2-CB 3.75Å; L198-A202 PolarHBondContact O-N 2.97Å; L199-A202 PolarHBondContact O-N 3.41Å; A202-Y205 PolarHBondContact O-N 3.37Å; A202-I206 PolarHBondContact O-N 3.07Å; A202-I206 VanDerWaalsContact O-N 3.09Å; A202-W220 HydrophobicContact CB-CH2 3.88Å; A202-W220 HydrophobicContact CB-CZ2 4.27Å
203K98.8Very high98.7Very high69 Ų6949.3 Ų49.330%0.325%0.253SS..Hα-helixtrans-64.2-43.8176.6-172.9178.8-67176.20111.6L199 P200 E201 Y205 I206 V207 L217 W220L199-K203 WeakPolarHBondContact O-CB 3.41Å; L199-K203 PolarHBondContact O-N 2.93Å; P200-K203 PolarHBondContact O-N 3.49Å; E201-K203 VanDerWaalsContact C-N 3.31Å; E201-K203 PolarHBondContact O-N 3.47Å; K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 PolarHBondContact O-N 3Å; K203-I206 PolarHBondContact O-N 3.17Å; K203-V207 WeakPolarHBondContact O-CG2 3.48Å; K203-V207 PolarHBondContact O-N 2.95Å; K203-L217 HydrophobicContact CD-CD2 3.79Å; K203-L217 HydrophobicContact CG-CD2 3.52Å; K203-W220 HydrophobicContact CB-CH2 3.8Å; K203-W220 HydrophobicContact CB-CZ2 3.72Å; K203-W220 HydrophobicContact CB-CZ3 4.27Å; K203-W220 VanDerWaalsContact CE-CG 3.48Å; K203-W220 HydrophobicContact CG-CD2 4.46Å
204K98.8Very high98.7Very high99 Ų9953.4 Ų53.443%0.4327%0.273SS..Hα-helixtrans-58.6-42.1175.4175.5-177.2163.4-162.10111.4P200 E201 V207 Q208P200-K204 WeakPolarHBondContact O-CB 2.98Å; P200-K204 PolarHBondContact O-N 3.01Å; E201-K204 WeakPolarHBondContact O-CB 3.43Å; E201-K204 PolarHBondContact O-N 2.8Å; E201-K204 WeakPolarHBondContact OE2-CD 3.18Å; E201-K204 IonicContact OE2-NZ 3.8Å; E201-K204 PolarHBondContact OE2-NZ 3.39Å; K204-V207 PolarHBondContact O-N 3.12Å; K204-Q208 WeakPolarHBondContact O-CB 3.16Å; K204-Q208 VanDerWaalsContact O-CG 3.27Å; K204-Q208 WeakPolarHBondContact O-CG 3.11Å; K204-Q208 PolarHBondContact O-N 2.78Å
205Y98.8Very high98.7Very high23 Ų2356.5 Ų56.59%0.0929%0.287CS..Hα-helixtrans-60.9-45.7173.9174.6-113.6000112.5Q153 I156 E157 E201 A202 K203 V207 Q208 S209Q153-Y205 HydrophobicContact CB-CE1 4.36Å; Q153-Y205 HydrophobicContact CB-CE2 4.22Å; Q153-Y205 HydrophobicContact CG-CD1 4.43Å; Q153-Y205 HydrophobicContact CG-CD2 3.67Å; Q153-Y205 HydrophobicContact CG-CE1 4.27Å; Q153-Y205 HydrophobicContact CG-CE2 3.5Å; Q153-Y205 HydrophobicContact CG-CG 4.12Å; I156-Y205 HydrophobicContact CB-CD1 4.34Å; I156-Y205 HydrophobicContact CB-CE1 4.2Å; I156-Y205 HydrophobicContact CD1-CD1 3.86Å; I156-Y205 HydrophobicContact CG2-CD1 4.12Å; I156-Y205 HydrophobicContact CG2-CE1 3.94Å; E157-Y205 VanDerWaalsContact CD-OH 3.27Å; E157-Y205 HydrophobicContact CG-CE1 4.15Å; E157-Y205 WeakPolarHBondContact CG-OH 3.48Å; E157-Y205 PolarHBondContact OE1-OH 3.41Å; E201-Y205 PolarHBondContact O-N 2.76Å; A202-Y205 PolarHBondContact O-N 3.37Å; K203-Y205 VanDerWaalsContact C-N 3.3Å; K203-Y205 PolarHBondContact O-N 3Å; Y205-V207 VanDerWaalsContact C-N 3.33Å; Y205-V207 PolarHBondContact O-N 2.72Å; Y205-Q208 PolarHBondContact O-N 2.88Å; Y205-S209 WeakPolarHBondContact O-CB 3.32Å; Y205-S209 PolarHBondContact O-N 3.03Å
206I98.8Very high98.7Very high0 Ų056.5 Ų56.50%029%0.287CS..Hα-helixtrans-58.3-44.8176.4-70-65.4000111.6I156 Y169 A202 K203 S209 G210 N216 W220I156-I206 HydrophobicContact CG2-CD1 3.67Å; Y169-I206 HydrophobicContact CE2-CD1 4.07Å; Y169-I206 HydrophobicContact CE2-CG1 4.26Å; A202-I206 PolarHBondContact O-N 3.07Å; A202-I206 VanDerWaalsContact O-N 3.09Å; K203-I206 PolarHBondContact O-N 3.17Å; I206-S209 PolarHBondContact O-N 3.21Å; I206-G210 PolarHBondContact O-N 2.9Å; I206-N216 HydrophobicContact CG2-CB 3.77Å; I206-W220 HydrophobicContact CG1-CZ3 4.17Å
207V98.8Very high98.7Very high71 Ų7158.5 Ų58.543%0.4330%0.298SS..Hα-helixtrans-62-47.6177.2172.50000111.3K203 K204 Y205 S209 G210 V213 L217K203-V207 WeakPolarHBondContact O-CG2 3.48Å; K203-V207 PolarHBondContact O-N 2.95Å; K204-V207 PolarHBondContact O-N 3.12Å; Y205-V207 VanDerWaalsContact C-N 3.33Å; Y205-V207 PolarHBondContact O-N 2.72Å; V207-S209 VanDerWaalsContact C-N 3.31Å; V207-S209 PolarHBondContact O-N 3.02Å; V207-G210 PolarHBondContact O-N 3.25Å; V207-V213 HydrophobicContact CG2-CG1 4.09Å; V207-L217 HydrophobicContact CG2-CD1 4.16Å; V207-L217 HydrophobicContact CG2-CD2 4.27Å
208Q98.5Very high98.7Very high139 Ų13958.5 Ų58.565%0.6530%0.298SS*.Hα-helixtrans-66.2-34.3179.4-72.2173.9-13.500112.5K204 Y205 G210K204-Q208 WeakPolarHBondContact O-CB 3.16Å; K204-Q208 VanDerWaalsContact O-CG 3.27Å; K204-Q208 WeakPolarHBondContact O-CG 3.11Å; K204-Q208 PolarHBondContact O-N 2.78Å; Y205-Q208 PolarHBondContact O-N 2.88Å; Q208-G210 VanDerWaalsContact C-N 3.25Å; Q208-G210 PolarHBondContact O-N 3.08Å
209S98.2Very high98.7Very high23 Ų2360.6 Ų60.616%0.16131%0.307CS..Hα-helixtrans-66.9-26.7177.91790000112.6R160 Y205 I206 V207 Y211R160-S209 PolarHBondContact NH2-OG 2.87Å; Y205-S209 WeakPolarHBondContact O-CB 3.32Å; Y205-S209 PolarHBondContact O-N 3.03Å; I206-S209 PolarHBondContact O-N 3.21Å; V207-S209 VanDerWaalsContact C-N 3.31Å; V207-S209 PolarHBondContact O-N 3.02Å; S209-Y211 WeakPolarHBondContact O-CD2 3.16Å; S209-Y211 VanDerWaalsContact O-CE2 3.26Å; S209-Y211 WeakPolarHBondContact O-CE2 3.37Å; S209-Y211 PolarHBondContact O-N 3.41Å; S209-Y211 WeakPolarHBondContact OG-CD2 3.25Å
210G98.4Very high98.7Very high50 Ų5060.6 Ų60.652%0.51531%0.307SS..  trans77.75.9167.600000116.9I206 V207 Q208I206-G210 PolarHBondContact O-N 2.9Å; V207-G210 PolarHBondContact O-N 3.25Å; Q208-G210 VanDerWaalsContact C-N 3.25Å; Q208-G210 PolarHBondContact O-N 3.08Å
211Y98.4Very high98.7Very high84 Ų8460.4 Ų60.433%0.32931%0.308SS..SBendtrans-101121.5179.6-62.8-81.6000111.3R119 S209 V213 N216R119-Y211 VanDerWaalsContact CZ-CE2 3.41Å; R119-Y211 VanDerWaalsContact NE-CE2 3.28Å; S209-Y211 WeakPolarHBondContact O-CD2 3.16Å; S209-Y211 VanDerWaalsContact O-CE2 3.26Å; S209-Y211 WeakPolarHBondContact O-CE2 3.37Å; S209-Y211 PolarHBondContact O-N 3.41Å; S209-Y211 WeakPolarHBondContact OG-CD2 3.25Å; Y211-V213 PolarHBondContact O-N 3.44Å; Y211-N216 PolarHBondContact O-ND2 3.01Å
212F98.8Very high98.7Very high74 Ų7459.8 Ų59.833%0.32530%0.303SS..SBendtrans50.144.4177-59.6-89.1000112.6P121 F122 H164 E214 E215 N216P121-F212 HydrophobicContact CB-CE1 4.21Å; P121-F212 HydrophobicContact CB-CE2 4.22Å; P121-F212 HydrophobicContact CB-CZ 3.67Å; F122-F212 HydrophobicContact CB-CB 3.68Å; F122-F212 HydrophobicContact CB-CD1 3.72Å; F122-F212 HydrophobicContact CB-CD2 4.39Å; F122-F212 HydrophobicContact CB-CE1 4.48Å; F122-F212 HydrophobicContact CB-CG 3.67Å; H164-F212 AromaticContact CE1-CD2 3.63Å; F212-E214 VanDerWaalsContact C-N 3.34Å; F212-E214 PolarHBondContact O-N 2.84Å; F212-E215 VanDerWaalsContact C-OE2 3.23Å; F212-E215 VanDerWaalsContact CA-OE2 3.25Å; F212-E215 WeakPolarHBondContact CA-OE2 3.16Å; F212-N216 WeakPolarHBondContact O-CB 3.12Å; F212-N216 PolarHBondContact O-N 3.2Å; F212-N216 PolarHBondContact O-ND2 3.06Å
213V98.8Very high98.7Very high40 Ų4059.8 Ų59.824%0.24230%0.303CS..Hα-helixtrans-62.1-43.7-1721780000110.6V207 Y211 L217V207-V213 HydrophobicContact CG2-CG1 4.09Å; Y211-V213 PolarHBondContact O-N 3.44Å; V213-L217 HydrophobicContact CG1-CD1 3.79Å; V213-L217 HydrophobicContact CG1-CG 4.22Å; V213-L217 WeakPolarHBondContact O-CB 3.33Å; V213-L217 WeakPolarHBondContact O-CG 3.25Å; V213-L217 PolarHBondContact O-N 2.91Å
214E98.7Very high98.7Very high133 Ų13359.2 Ų59.262%0.62130%0.301SS*.Hα-helixtrans-61.7-51.5-179-178.1175.1176.100111.3F212 N216 L217 Q218F212-E214 VanDerWaalsContact C-N 3.34Å; F212-E214 PolarHBondContact O-N 2.84Å; E214-N216 PolarHBondContact O-N 3.36Å; E214-L217 PolarHBondContact O-N 3.19Å; E214-Q218 HydrophobicContact CG-CG 4.42Å; E214-Q218 VanDerWaalsContact CG-NE2 3.35Å; E214-Q218 WeakPolarHBondContact O-CB 3.23Å; E214-Q218 VanDerWaalsContact O-CG 3.28Å; E214-Q218 WeakPolarHBondContact O-CG 3.43Å; E214-Q218 PolarHBondContact O-N 3.4Å; E214-Q218 PolarHBondContact OE1-NE2 3.44Å
215E98.8Very high98.7Very high66 Ų6657.6 Ų57.631%0.30830%0.299SS..Hα-helixtrans-63.6-43.6-177.2-59.191.115200111.5F122 F212 L217 Q218 H219F122-E215 HydrophobicContact CB-CB 4.26Å; F122-E215 HydrophobicContact CD1-CB 3.59Å; F122-E215 HydrophobicContact CD1-CG 4.05Å; F122-E215 HydrophobicContact CD2-CB 3.84Å; F122-E215 HydrophobicContact CE1-CB 3.83Å; F122-E215 HydrophobicContact CE1-CG 4.45Å; F122-E215 HydrophobicContact CE2-CB 4.04Å; F122-E215 HydrophobicContact CG-CB 3.61Å; F122-E215 HydrophobicContact CG-CG 4.36Å; F122-E215 HydrophobicContact CZ-CB 4.04Å; F212-E215 VanDerWaalsContact C-OE2 3.23Å; F212-E215 VanDerWaalsContact CA-OE2 3.25Å; F212-E215 WeakPolarHBondContact CA-OE2 3.16Å; E215-L217 PolarHBondContact O-N 3.47Å; E215-Q218 PolarHBondContact O-N 3.42Å; E215-H219 PolarHBondContact O-N 3.47Å; E215-H219 PolarHBondContact O-ND1 3Å
216N98.9Very high98.7Very high0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-60.9-44.5175.9-84-72.5000112.1H164 Y169 I206 Y211 F212 E214 H219 W220H164-N216 PolarHBondContact NE2-ND2 3.06Å; H164-N216 VanDerWaalsContact NE2-ND2 3.19Å; Y169-N216 WeakPolarHBondContact CE1-OD1 3.35Å; Y169-N216 PolarHBondContact OH-OD1 2.91Å; I206-N216 HydrophobicContact CG2-CB 3.77Å; Y211-N216 PolarHBondContact O-ND2 3.01Å; F212-N216 WeakPolarHBondContact O-CB 3.12Å; F212-N216 PolarHBondContact O-N 3.2Å; F212-N216 PolarHBondContact O-ND2 3.06Å; E214-N216 PolarHBondContact O-N 3.36Å; N216-H219 PolarHBondContact O-N 3.21Å; N216-W220 PolarHBondContact O-N 3.38Å; N216-W220 VanDerWaalsContact O-N 3.14Å
217L98.8Very high98.7Very high71 Ų7159 Ų5937%0.37231%0.306SS..Hα-helixtrans-69.3-37.5-179.8-69.4-177.7000112.2K203 V207 V213 E214 E215 H219 W220K203-L217 HydrophobicContact CD-CD2 3.79Å; K203-L217 HydrophobicContact CG-CD2 3.52Å; V207-L217 HydrophobicContact CG2-CD1 4.16Å; V207-L217 HydrophobicContact CG2-CD2 4.27Å; V213-L217 HydrophobicContact CG1-CD1 3.79Å; V213-L217 HydrophobicContact CG1-CG 4.22Å; V213-L217 WeakPolarHBondContact O-CB 3.33Å; V213-L217 WeakPolarHBondContact O-CG 3.25Å; V213-L217 PolarHBondContact O-N 2.91Å; E214-L217 PolarHBondContact O-N 3.19Å; E215-L217 PolarHBondContact O-N 3.47Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 3.41Å; L217-W220 WeakPolarHBondContact O-CB 3.18Å; L217-W220 PolarHBondContact O-N 3.26Å
218Q98.7Very high98.7Very high115 Ų11558.1 Ų58.154%0.53730%0.297SS..Hα-helixtrans-61.5-34.1176.1-75.9175.1100112.4E214 E215E214-Q218 HydrophobicContact CG-CG 4.42Å; E214-Q218 VanDerWaalsContact CG-NE2 3.35Å; E214-Q218 WeakPolarHBondContact O-CB 3.23Å; E214-Q218 VanDerWaalsContact O-CG 3.28Å; E214-Q218 WeakPolarHBondContact O-CG 3.43Å; E214-Q218 PolarHBondContact O-N 3.4Å; E214-Q218 PolarHBondContact OE1-NE2 3.44Å; E215-Q218 PolarHBondContact O-N 3.42Å
219H98.8Very high98.8Very high62 Ų6255.8 Ų55.829%0.28729%0.289SS..Hα-helixtrans-97-1.8-177-65.472.5000113.9F122 H165 P166 E215 N216 L217 S221F122-H219 HydrophobicContact CZ-CB 4.37Å; F122-H219 AromaticContact CZ-CE1 3.77Å; F122-H219 AromaticContact CZ-CG 3.75Å; F122-H219 AromaticContact CZ-ND1 3.56Å; H165-H219 AromaticContact NE2-CD2 3.29Å; H165-H219 PolarHBondContact NE2-CD2 2.92Å; H165-H219 VanDerWaalsContact NE2-CD2 3.29Å; H165-H219 AromaticContact NE2-CG 3.61Å; P166-H219 HydrophobicContact CG-CB 3.62Å; P166-H219 WeakPolarHBondContact CG-O 3.5Å; E215-H219 PolarHBondContact O-N 3.47Å; E215-H219 PolarHBondContact O-ND1 3Å; N216-H219 PolarHBondContact O-N 3.21Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 3.41Å; H219-S221 VanDerWaalsContact C-N 3.32Å; H219-S221 PolarHBondContact O-N 2.96Å
220W98.9Very high98.8Very high3 Ų354.8 Ų54.81%0.01128%0.282CS..Hα-helixtrans-60.5-38.5-174.2-168.9-84.6000114P166 Y169 L170 L199 A202 K203 I206 N216 L217 Y222P166-W220 HydrophobicContact CB-CE3 4.12Å; Y169-W220 HydrophobicContact CE2-CZ3 4.17Å; L170-W220 HydrophobicContact CD1-CD2 4.28Å; L170-W220 HydrophobicContact CD1-CE3 4.28Å; L170-W220 HydrophobicContact CD1-CH2 3.92Å; L170-W220 HydrophobicContact CD1-CZ2 3.87Å; L170-W220 HydrophobicContact CD1-CZ3 4.11Å; L170-W220 HydrophobicContact CD2-CH2 3.64Å; L170-W220 HydrophobicContact CD2-CZ2 4.08Å; L170-W220 HydrophobicContact CD2-CZ3 4.22Å; L170-W220 HydrophobicContact CG-CH2 4.31Å; L199-W220 HydrophobicContact CB-CZ2 4.23Å; L199-W220 HydrophobicContact CD2-CZ2 4.23Å; L199-W220 VanDerWaalsContact O-CZ2 3.25Å; L199-W220 WeakPolarHBondContact O-CZ2 3.3Å; A202-W220 HydrophobicContact CB-CH2 3.88Å; A202-W220 HydrophobicContact CB-CZ2 4.27Å; K203-W220 HydrophobicContact CB-CH2 3.8Å; K203-W220 HydrophobicContact CB-CZ2 3.72Å; K203-W220 HydrophobicContact CB-CZ3 4.27Å; K203-W220 VanDerWaalsContact CE-CG 3.48Å; K203-W220 HydrophobicContact CG-CD2 4.46Å; I206-W220 HydrophobicContact CG1-CZ3 4.17Å; N216-W220 PolarHBondContact O-N 3.38Å; N216-W220 VanDerWaalsContact O-N 3.14Å; L217-W220 WeakPolarHBondContact O-CB 3.18Å; L217-W220 PolarHBondContact O-N 3.26Å; W220-Y222 PolarHBondContact O-N 2.8Å
221S98.7Very high98.8Very high71 Ų7152.4 Ų52.450%0.49726%0.257SS..Hα-helixtrans-64.5-27-169.559.90000113.1H219 Q224 T225H219-S221 VanDerWaalsContact C-N 3.32Å; H219-S221 PolarHBondContact O-N 2.96Å; S221-Q224 PolarHBondContact O-N 3.45Å; S221-T225 WeakPolarHBondContact O-CB 3.37Å; S221-T225 PolarHBondContact O-N 3.44Å; S221-T225 PolarHBondContact O-OG1 2.67Å
222Y98.9Very high98.8Very high63 Ų6353.7 Ų53.725%0.24726%0.264CS..Hα-helixtrans-59.6-55.7-177.4-177.9-88.1000111.6T167 W220 T225 K226 Y263 H272T167-Y222 HydrophobicContact CG2-CD1 3.88Å; T167-Y222 HydrophobicContact CG2-CE1 3.95Å; T167-Y222 WeakPolarHBondContact OG1-CD1 3.29Å; W220-Y222 PolarHBondContact O-N 2.8Å; Y222-T225 PolarHBondContact O-N 3.25Å; Y222-K226 HydrophobicContact CD1-CG 4.47Å; Y222-K226 HydrophobicContact CE1-CG 4.06Å; Y222-K226 WeakPolarHBondContact O-CB 3.35Å; Y222-K226 WeakPolarHBondContact O-CG 3.45Å; Y222-K226 PolarHBondContact O-N 3.43Å; Y222-K226 VanDerWaalsContact O-N 3.08Å; Y222-K226 WeakPolarHBondContact OH-CE 3.33Å; Y222-Y263 AromaticContact CE1-CD2 3.97Å; Y222-Y263 HydrophobicContact CE1-CD2 3.97Å; Y222-Y263 AromaticContact CE2-CD2 3.95Å; Y222-Y263 HydrophobicContact CE2-CD2 3.95Å; Y222-Y263 HydrophobicContact CE2-CE2 4.13Å; Y222-Y263 AromaticContact CZ-CD2 3.49Å; Y222-Y263 VanDerWaalsContact CZ-CD2 3.49Å; Y222-Y263 WeakPolarHBondContact OH-CD2 3.3Å; Y222-H272 AromaticContact CE1-CE1 3.81Å; Y222-H272 AromaticContact CE1-CG 3.87Å; Y222-H272 AromaticContact CE1-ND1 3.63Å
223F98.9Very high98.8Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-60-50.4179.5-177.1-81.4000110.7L170 A174 L195 L199 T225 K226 W227 H272L170-F223 VanDerWaalsContact C-CE2 3.47Å; L170-F223 HydrophobicContact CB-CD1 3.84Å; L170-F223 HydrophobicContact CB-CD2 3.71Å; L170-F223 HydrophobicContact CB-CE1 3.8Å; L170-F223 HydrophobicContact CB-CE2 3.64Å; L170-F223 HydrophobicContact CB-CG 3.81Å; L170-F223 HydrophobicContact CB-CZ 3.7Å; L170-F223 HydrophobicContact CD1-CB 4.03Å; L170-F223 HydrophobicContact CD1-CD1 3.86Å; L170-F223 HydrophobicContact CD1-CE1 4.5Å; L170-F223 HydrophobicContact CD1-CG 3.92Å; L170-F223 WeakPolarHBondContact O-CZ 3.2Å; A174-F223 HydrophobicContact CB-CZ 4.41Å; L195-F223 HydrophobicContact CD2-CE1 4.07Å; L195-F223 HydrophobicContact CD2-CZ 4.17Å; L199-F223 HydrophobicContact CD1-CD1 4.41Å; L199-F223 HydrophobicContact CD2-CD1 4.37Å; L199-F223 HydrophobicContact CD2-CE1 4.19Å; F223-T225 PolarHBondContact O-N 3Å; F223-K226 PolarHBondContact O-N 3.33Å; F223-W227 AromaticContact CD1-CD1 3.71Å; F223-W227 AromaticContact CE1-CD1 3.38Å; F223-W227 HydrophobicContact CE1-CG 4.06Å; F223-W227 AromaticContact CE1-NE1 3.57Å; F223-W227 AromaticContact CE2-CD1 3.91Å; F223-W227 AromaticContact CE2-NE1 3.49Å; F223-W227 AromaticContact CZ-CD1 3.5Å; F223-W227 AromaticContact CZ-CE2 3.9Å; F223-W227 HydrophobicContact CZ-CG 4.39Å; F223-W227 AromaticContact CZ-NE1 3.15Å; F223-W227 PolarHBondContact O-N 2.81Å; F223-W227 VanDerWaalsContact O-N 3.09Å; F223-H272 HydrophobicContact CD2-CB 3.6Å; F223-H272 HydrophobicContact CE2-CB 4.05Å; F223-H272 HydrophobicContact CG-CB 4.36Å
224Q98.9Very high98.8Very high56 Ų5653.1 Ų53.126%0.26226%0.263SS..Hα-helixtrans-58.2-47.8-178.5-178.9177-14.300111.7L199 S221 K226 W227 E228L199-Q224 HydrophobicContact CD1-CB 3.91Å; L199-Q224 HydrophobicContact CD1-CG 3.88Å; S221-Q224 PolarHBondContact O-N 3.45Å; Q224-K226 PolarHBondContact O-N 2.88Å; Q224-W227 PolarHBondContact O-N 2.92Å; Q224-E228 HydrophobicContact CG-CG 4.42Å; Q224-E228 VanDerWaalsContact CG-OE1 3.3Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.36Å; Q224-E228 PolarHBondContact NE2-OE1 2.94Å; Q224-E228 WeakPolarHBondContact O-CB 3.24Å; Q224-E228 WeakPolarHBondContact O-CG 3.44Å; Q224-E228 PolarHBondContact O-N 3.03Å
225T98.9Very high98.8Very high65 Ų6548.5 Ų48.540%0.39925%0.251SS..Hα-helixtrans-65.1-42.2-177.8-56.90000111.7S221 Y222 F223 E228 N229S221-T225 WeakPolarHBondContact O-CB 3.37Å; S221-T225 PolarHBondContact O-N 3.44Å; S221-T225 PolarHBondContact O-OG1 2.67Å; Y222-T225 PolarHBondContact O-N 3.25Å; F223-T225 PolarHBondContact O-N 3Å; T225-E228 PolarHBondContact O-N 3.43Å; T225-N229 WeakPolarHBondContact O-CB 3.13Å; T225-N229 PolarHBondContact O-N 3.02Å; T225-N229 PolarHBondContact O-ND2 3.25Å
226K98.9Very high98.8Very high53 Ų5345.4 Ų45.423%0.2324%0.237CC..Hα-helixtrans-60.4-46.7177.3-78.1-77.9-173158.40111.1Y222 F223 Q224 Y230 L261 M276Y222-K226 HydrophobicContact CD1-CG 4.47Å; Y222-K226 HydrophobicContact CE1-CG 4.06Å; Y222-K226 WeakPolarHBondContact O-CB 3.35Å; Y222-K226 WeakPolarHBondContact O-CG 3.45Å; Y222-K226 PolarHBondContact O-N 3.43Å; Y222-K226 VanDerWaalsContact O-N 3.08Å; Y222-K226 WeakPolarHBondContact OH-CE 3.33Å; F223-K226 PolarHBondContact O-N 3.33Å; Q224-K226 PolarHBondContact O-N 2.88Å; K226-Y230 WeakPolarHBondContact O-CB 3.45Å; K226-Y230 PolarHBondContact O-N 3.21Å; K226-L261 PolarHBondContact NZ-O 3.17Å; K226-M276 HydrophobicContact CB-CE 4.39Å
227W98.9Very high98.8Very high0 Ų048.5 Ų48.50%025%0.253CS..Hα-helixtrans-66.2-46.3177.6-85.385.6000112.8A174 F178 L195 M196 F223 Q224 N229 Y230 L231 H272 P275 M276 Y279A174-W227 HydrophobicContact CB-CZ2 4.15Å; F178-W227 AromaticContact CE2-CH2 3.64Å; F178-W227 HydrophobicContact CE2-CH2 3.64Å; F178-W227 AromaticContact CE2-CZ3 3.87Å; F178-W227 HydrophobicContact CE2-CZ3 3.87Å; F178-W227 AromaticContact CZ-CH2 3.86Å; F178-W227 HydrophobicContact CZ-CH2 3.86Å; F178-W227 AromaticContact CZ-CZ3 3.76Å; F178-W227 HydrophobicContact CZ-CZ3 3.76Å; L195-W227 HydrophobicContact CD2-CD2 3.67Å; L195-W227 HydrophobicContact CD2-CE3 3.73Å; L195-W227 HydrophobicContact CD2-CG 4.3Å; L195-W227 HydrophobicContact CD2-CH2 4Å; L195-W227 HydrophobicContact CD2-CZ2 3.94Å; L195-W227 HydrophobicContact CD2-CZ3 3.89Å; M196-W227 HydrophobicContact CE-CB 3.42Å; M196-W227 VanDerWaalsContact CE-CB 3.42Å; M196-W227 HydrophobicContact CE-CD2 4.39Å; M196-W227 HydrophobicContact CE-CG 3.96Å; M196-W227 HydrophobicContact SD-CB 3.86Å; F223-W227 AromaticContact CD1-CD1 3.71Å; F223-W227 AromaticContact CE1-CD1 3.38Å; F223-W227 HydrophobicContact CE1-CG 4.06Å; F223-W227 AromaticContact CE1-NE1 3.57Å; F223-W227 AromaticContact CE2-CD1 3.91Å; F223-W227 AromaticContact CE2-NE1 3.49Å; F223-W227 AromaticContact CZ-CD1 3.5Å; F223-W227 AromaticContact CZ-CE2 3.9Å; F223-W227 HydrophobicContact CZ-CG 4.39Å; F223-W227 AromaticContact CZ-NE1 3.15Å; F223-W227 PolarHBondContact O-N 2.81Å; F223-W227 VanDerWaalsContact O-N 3.09Å; Q224-W227 PolarHBondContact O-N 2.92Å; W227-N229 VanDerWaalsContact C-N 3.31Å; W227-N229 PolarHBondContact O-N 3.32Å; W227-Y230 PolarHBondContact O-N 2.7Å; W227-L231 VanDerWaalsContact O-CG 3.23Å; W227-L231 WeakPolarHBondContact O-CG 3.32Å; W227-L231 PolarHBondContact O-N 2.88Å; W227-H272 PolarHBondContact NE1-O 3.29Å; W227-H272 VanDerWaalsContact NE1-O 3.11Å; W227-P275 HydrophobicContact CZ2-CB 4.17Å; W227-P275 HydrophobicContact CZ2-CG 4.06Å; W227-M276 HydrophobicContact CB-CE 4.32Å; W227-M276 HydrophobicContact CD2-CE 3.8Å; W227-M276 HydrophobicContact CE3-CE 4.46Å; W227-M276 HydrophobicContact CG-CE 3.71Å; W227-M276 HydrophobicContact CH2-CB 4.38Å; W227-M276 HydrophobicContact CZ2-CB 4.07Å; W227-Y279 HydrophobicContact CZ3-CD1 4.15Å
228E98.9Very high98.8Very high53 Ų5348.4 Ų48.425%0.24825%0.253CS..Hα-helixtrans-57-44.7176.2-76.4180-159.900111.9M196 Q224 T225 L231 K232M196-E228 HydrophobicContact SD-CG 3.82Å; Q224-E228 HydrophobicContact CG-CG 4.42Å; Q224-E228 VanDerWaalsContact CG-OE1 3.3Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.36Å; Q224-E228 PolarHBondContact NE2-OE1 2.94Å; Q224-E228 WeakPolarHBondContact O-CB 3.24Å; Q224-E228 WeakPolarHBondContact O-CG 3.44Å; Q224-E228 PolarHBondContact O-N 3.03Å; T225-E228 PolarHBondContact O-N 3.43Å; E228-L231 PolarHBondContact O-N 2.8Å; E228-K232 WeakPolarHBondContact O-CB 3.4Å; E228-K232 VanDerWaalsContact O-CG 3.24Å; E228-K232 WeakPolarHBondContact O-CG 3.39Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 IonicContact OE2-NZ 3.95Å
229N98.9Very high98.8Very high89 Ų8943 Ų4348%0.47623%0.228SC..Hα-helixtrans-66.9-41.3179.4-71.2-17000112.2T225 W227 K232 L233T225-N229 WeakPolarHBondContact O-CB 3.13Å; T225-N229 PolarHBondContact O-N 3.02Å; T225-N229 PolarHBondContact O-ND2 3.25Å; W227-N229 VanDerWaalsContact C-N 3.31Å; W227-N229 PolarHBondContact O-N 3.32Å; N229-K232 PolarHBondContact O-N 3.18Å; N229-L233 WeakPolarHBondContact O-CB 3.33Å; N229-L233 PolarHBondContact O-N 3.07Å
230Y98.9Very high98.8Very high3 Ų347 Ų471%0.01225%0.247CC..Hα-helixtrans-60.7-47.1174.7166-98.3000112K226 W227 K232 L233 R234 F257 M276 Y279 D280K226-Y230 WeakPolarHBondContact O-CB 3.45Å; K226-Y230 PolarHBondContact O-N 3.21Å; W227-Y230 PolarHBondContact O-N 2.7Å; Y230-K232 VanDerWaalsContact C-N 3.34Å; Y230-K232 PolarHBondContact O-N 3.09Å; Y230-L233 WeakPolarHBondContact O-CB 3.12Å; Y230-L233 PolarHBondContact O-N 3.17Å; Y230-R234 HydrophobicContact CD2-CG 4.46Å; Y230-R234 HydrophobicContact CE2-CG 3.84Å; Y230-R234 PolarHBondContact O-N 3.08Å; Y230-F257 HydrophobicContact CD2-CZ 4.14Å; Y230-F257 HydrophobicContact CE2-CZ 4.2Å; Y230-M276 WeakPolarHBondContact CB-SD 3.12Å; Y230-M276 HydrophobicContact CD1-CE 4.44Å; Y230-M276 HydrophobicContact CD1-CG 3.76Å; Y230-M276 HydrophobicContact CD1-SD 4.12Å; Y230-M276 HydrophobicContact CD2-CG 3.71Å; Y230-M276 HydrophobicContact CD2-SD 3.7Å; Y230-M276 HydrophobicContact CE1-CG 4.03Å; Y230-M276 HydrophobicContact CE2-CG 3.97Å; Y230-M276 HydrophobicContact CG-CE 4.14Å; Y230-M276 HydrophobicContact CG-CG 3.61Å; Y230-M276 HydrophobicContact CG-SD 3.47Å; Y230-Y279 AromaticContact CE1-CD1 3.7Å; Y230-Y279 HydrophobicContact CE1-CD1 3.7Å; Y230-Y279 AromaticContact CE1-CE1 3.95Å; Y230-Y279 HydrophobicContact CE1-CE1 3.95Å; Y230-D280 HydrophobicContact CE2-CB 4.28Å; Y230-D280 WeakPolarHBondContact CE2-OD1 3.37Å; Y230-D280 WeakPolarHBondContact OH-CA 3.48Å; Y230-D280 WeakPolarHBondContact OH-CB 3.34Å; Y230-D280 PolarHBondContact OH-OD1 3.14Å
231L98.9Very high98.7Very high0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-66.3-37.3-179.6-63.8173.6000111.8M196 W227 E228 R234 G235 I236 L237 Y279M196-L231 HydrophobicContact CG-CD1 3.64Å; M196-L231 HydrophobicContact SD-CD1 4.35Å; W227-L231 VanDerWaalsContact O-CG 3.23Å; W227-L231 WeakPolarHBondContact O-CG 3.32Å; W227-L231 PolarHBondContact O-N 2.88Å; E228-L231 PolarHBondContact O-N 2.8Å; L231-R234 PolarHBondContact O-N 2.92Å; L231-G235 PolarHBondContact O-N 2.94Å; L231-I236 HydrophobicContact CB-CG1 4.34Å; L231-I236 HydrophobicContact CD2-CD1 3.77Å; L231-I236 HydrophobicContact CD2-CG1 3.77Å; L231-I236 PolarHBondContact O-N 3.29Å; L231-L237 HydrophobicContact CB-CB 4.22Å; L231-L237 HydrophobicContact CB-CD1 4Å; L231-L237 HydrophobicContact CD1-CD1 4.2Å; L231-L237 PolarHBondContact O-N 3.45Å; L231-Y279 HydrophobicContact CD2-CE1 4.05Å
232K98.8Very high98.7Very high110 Ų11049.5 Ų49.548%0.47827%0.269SS..Hα-helixtrans-61.3-46.1170.7-73.6168.1-173.2163.40111.4E228 N229 Y230 R234 G235 L237E228-K232 WeakPolarHBondContact O-CB 3.4Å; E228-K232 VanDerWaalsContact O-CG 3.24Å; E228-K232 WeakPolarHBondContact O-CG 3.39Å; E228-K232 PolarHBondContact O-N 3.32Å; E228-K232 IonicContact OE2-NZ 3.95Å; N229-K232 PolarHBondContact O-N 3.18Å; Y230-K232 VanDerWaalsContact C-N 3.34Å; Y230-K232 PolarHBondContact O-N 3.09Å; K232-R234 VanDerWaalsContact C-N 3.29Å; K232-R234 PolarHBondContact O-N 3.09Å; K232-G235 PolarHBondContact O-N 3.11Å; K232-L237 HydrophobicContact CD-CD2 4.41Å; K232-L237 HydrophobicContact CG-CB 4.38Å; K232-L237 HydrophobicContact CG-CD2 3.82Å
233L98.8Very high98.7Very high101 Ų10148 Ų4853%0.52927%0.267SS..Hα-helixtrans-59.2-40.2179175.565.5000112.1N229 Y230 G235 F257N229-L233 WeakPolarHBondContact O-CB 3.33Å; N229-L233 PolarHBondContact O-N 3.07Å; Y230-L233 WeakPolarHBondContact O-CB 3.12Å; Y230-L233 PolarHBondContact O-N 3.17Å; L233-G235 VanDerWaalsContact C-N 3.32Å; L233-F257 HydrophobicContact CD2-CE2 3.6Å; L233-F257 HydrophobicContact CD2-CZ 4.16Å
234R98.8Very high98.6Very high1 Ų152.8 Ų52.80%0.00430%0.297CS..Hα-helixtrans-81.7-7.5176.2-70.6-62.6-176.2-91-2113.9Y230 L231 K232 I236 P243 T244 D280Y230-R234 HydrophobicContact CD2-CG 4.46Å; Y230-R234 HydrophobicContact CE2-CG 3.84Å; Y230-R234 PolarHBondContact O-N 3.08Å; L231-R234 PolarHBondContact O-N 2.92Å; K232-R234 VanDerWaalsContact C-N 3.29Å; K232-R234 PolarHBondContact O-N 3.09Å; R234-I236 HydrophobicContact CB-CD1 3.97Å; R234-I236 HydrophobicContact CB-CG1 3.82Å; R234-P243 WeakPolarHBondContact O-CA 3.15Å; R234-T244 VanDerWaalsContact CD-O 3.25Å; R234-T244 WeakPolarHBondContact CD-O 3.35Å; R234-T244 PolarHBondContact O-N 2.69Å; R234-D280 IonicContact CZ-OD1 3.94Å; R234-D280 IonicContact CZ-OD2 3.63Å; R234-D280 IonicContact NE-OD1 2.91Å; R234-D280 PolarHBondContact NE-OD1 3.42Å; R234-D280 IonicContact NE-OD2 3.92Å; R234-D280 VanDerWaalsContact NH2-CG 3.25Å; R234-D280 IonicContact NH2-OD1 3.87Å; R234-D280 PolarHBondContact NH2-OD1 2.93Å; R234-D280 IonicContact NH2-OD2 3.95Å; R234-D280 PolarHBondContact NH2-OD2 3.26Å
235G98.8Very high98.6Very high37 Ų3752.8 Ų52.838%0.38130%0.296SS..THydrogen-bonded Turntrans71.828.9-178.600000114.1L231 K232 L233 S241L231-G235 PolarHBondContact O-N 2.94Å; K232-G235 PolarHBondContact O-N 3.11Å; L233-G235 VanDerWaalsContact C-N 3.32Å; G235-S241 WeakPolarHBondContact O-CB 3.49Å
236I98.8Very high98.5Very high0 Ų052.8 Ų52.80%030%0.297CS..  trans-126.519.1-172.860.2173.9000113.3L231 R234 D238 G239 S241 P243 Y279 L283L231-I236 HydrophobicContact CB-CG1 4.34Å; L231-I236 HydrophobicContact CD2-CD1 3.77Å; L231-I236 HydrophobicContact CD2-CG1 3.77Å; L231-I236 PolarHBondContact O-N 3.29Å; R234-I236 HydrophobicContact CB-CD1 3.97Å; R234-I236 HydrophobicContact CB-CG1 3.82Å; I236-D238 PolarHBondContact O-N 2.97Å; I236-G239 PolarHBondContact O-N 2.82Å; I236-G239 VanDerWaalsContact O-N 3.12Å; I236-S241 WeakPolarHBondContact CG2-O 3.45Å; I236-P243 HydrophobicContact CG2-CB 3.89Å; I236-Y279 HydrophobicContact CD1-CE1 3.86Å; I236-L283 HydrophobicContact CD1-CD1 3.62Å
237L98.8Very high98.1Very high66 Ų6659.5 Ų59.535%0.34633%0.329SS..THydrogen-bonded Turntrans-60.5-34.2178-176.269000112.1L231 K232 G239L231-L237 HydrophobicContact CB-CB 4.22Å; L231-L237 HydrophobicContact CB-CD1 4Å; L231-L237 HydrophobicContact CD1-CD1 4.2Å; L231-L237 PolarHBondContact O-N 3.45Å; K232-L237 HydrophobicContact CD-CD2 4.41Å; K232-L237 HydrophobicContact CG-CB 4.38Å; K232-L237 HydrophobicContact CG-CD2 3.82Å; L237-G239 VanDerWaalsContact C-N 3.32Å
238D98.4Very high97.8Very high69 Ų6964 Ų6437%0.36936%0.359SS..THydrogen-bonded Turntrans-82.3-7.9178.564.55.6000113.7K193 I236 E240 S241K193-D238 WeakPolarHBondContact CD-O 3.39Å; K193-D238 WeakPolarHBondContact CE-O 3.22Å; K193-D238 PolarHBondContact NZ-O 3Å; I236-D238 PolarHBondContact O-N 2.97Å; D238-E240 WeakPolarHBondContact O-CG 3.46Å; D238-E240 PolarHBondContact O-N 3.15Å; D238-E240 PolarHBondContact OD1-N 3.46Å; D238-S241 PolarHBondContact OD1-N 3.31Å
239G98.4Very high97.8Very high2 Ų262.7 Ų62.72%0.02135%0.352CS..SBendtrans56.523.4-17500000114.3L189 Q190 I236 L237L189-G239 WeakPolarHBondContact CD1-O 3.45Å; Q190-G239 WeakPolarHBondContact CG-O 3.22Å; I236-G239 PolarHBondContact O-N 2.82Å; I236-G239 VanDerWaalsContact O-N 3.12Å; L237-G239 VanDerWaalsContact C-N 3.32Å
240E98.3Very high97.7Very high146 Ų14659.8 Ų59.868%0.68234%0.343SS*.SBendtrans-121.5-12.5-175.4-73.7168.1-148.600112.2K193 D238K193-E240 IonicContact NZ-OE1 3.85Å; K193-E240 PolarHBondContact NZ-OE1 3.3Å; K193-E240 VanDerWaalsContact NZ-OE1 3.08Å; D238-E240 WeakPolarHBondContact O-CG 3.46Å; D238-E240 PolarHBondContact O-N 3.15Å; D238-E240 PolarHBondContact OD1-N 3.46Å
241S97.5Very high97.7Very high53 Ų5361.1 Ų61.137%0.37135%0.352SS..SBendtrans-106.6153.7178.3-62.80000112.5G235 I236 D238G235-S241 WeakPolarHBondContact O-CB 3.49Å; I236-S241 WeakPolarHBondContact CG2-O 3.45Å; D238-S241 PolarHBondContact OD1-N 3.31Å
242A98.1Very high97.7Very high72 Ų7266.2 Ų66.260%0.59537%0.374SS*.  trans-73.4145.2169.800000110.6
243P98.4Very high97.7Very high33 Ų3364 Ų6421%0.21437%0.365CS..  trans-67140.5-179.429.9-36.9000111.9R234 I236 F245 L283R234-P243 WeakPolarHBondContact O-CA 3.15Å; I236-P243 HydrophobicContact CG2-CB 3.89Å; P243-F245 HydrophobicContact CB-CE2 3.91Å; P243-F245 HydrophobicContact CB-CZ 4.43Å; P243-F245 HydrophobicContact CG-CE2 3.93Å; P243-L283 HydrophobicContact CB-CD1 4.32Å; P243-L283 HydrophobicContact CG-CB 4.15Å; P243-L283 HydrophobicContact CG-CD2 4.15Å
244T98.4Very high97.7Very high100 Ų10060 Ų6061%0.61334%0.343SS*.  trans-104.5130.7171.3-57.80000110R234R234-T244 VanDerWaalsContact CD-O 3.25Å; R234-T244 WeakPolarHBondContact CD-O 3.35Å; R234-T244 PolarHBondContact O-N 2.69Å
245F98.4Very high97.7Very high55 Ų5561.1 Ų61.124%0.24135%0.349CS..  trans-108.2150.6177.1-69.4-90.9000110.9P243 F249 D280 L283 A284P243-F245 HydrophobicContact CB-CE2 3.91Å; P243-F245 HydrophobicContact CB-CZ 4.43Å; P243-F245 HydrophobicContact CG-CE2 3.93Å; F245-F249 HydrophobicContact CD1-CD1 4.09Å; F245-F249 AromaticContact CD1-CE1 3.93Å; F245-F249 HydrophobicContact CD1-CE1 3.93Å; F245-F249 HydrophobicContact CE1-CE1 4.49Å; F245-D280 WeakPolarHBondContact CE1-OD1 3.46Å; F245-L283 HydrophobicContact CE2-CB 4.48Å; F245-L283 HydrophobicContact CZ-CB 3.95Å; F245-A284 HydrophobicContact CE1-CB 4.04Å; F245-A284 HydrophobicContact CE2-CB 4.09Å; F245-A284 HydrophobicContact CZ-CB 3.68Å
246P95.4Very high97.7Very high65 Ų6565 Ų6542%0.42236%0.357SS..  trans-62158.3174.7-19.932.3000112.6F249P246-F249 HydrophobicContact CB-CB 4.35Å; P246-F249 HydrophobicContact CB-CD2 4.19Å; P246-F249 HydrophobicContact CB-CG 4.48Å; P246-F249 HydrophobicContact CG-CD2 3.92Å; P246-F249 HydrophobicContact CG-CE2 4.24Å; P246-F249 HydrophobicContact CG-CG 4.37Å; P246-F249 VanDerWaalsContact O-CB 3.27Å; P246-F249 WeakPolarHBondContact O-CB 3.15Å
247E92.1Very high97.7Very high194 Ų19466.2 Ų66.291%0.90736%0.362SS*.SBendtrans-132117.2166.7-167.2171.8-17300108.5
248P92.2Very high97.7Very high96 Ų9663.1 Ų63.162%0.62335%0.346SS*.SBendcis-77.4155.11.632.9-35.6000114.2E253P248-E253 HydrophobicContact CG-CG 4.48Å
249F98Very high97.7Very high25 Ų2563.3 Ų63.311%0.1135%0.35CS..  trans-143.352.9174.6-159.3-125.9000112.5F245 P246 E253 R254 F257F245-F249 HydrophobicContact CD1-CD1 4.09Å; F245-F249 AromaticContact CD1-CE1 3.93Å; F245-F249 HydrophobicContact CD1-CE1 3.93Å; F245-F249 HydrophobicContact CE1-CE1 4.49Å; P246-F249 HydrophobicContact CB-CB 4.35Å; P246-F249 HydrophobicContact CB-CD2 4.19Å; P246-F249 HydrophobicContact CB-CG 4.48Å; P246-F249 HydrophobicContact CG-CD2 3.92Å; P246-F249 HydrophobicContact CG-CE2 4.24Å; P246-F249 HydrophobicContact CG-CG 4.37Å; P246-F249 VanDerWaalsContact O-CB 3.27Å; P246-F249 WeakPolarHBondContact O-CB 3.15Å; F249-E253 HydrophobicContact CD2-CB 4.23Å; F249-R254 HydrophobicContact CD1-CG 3.93Å; F249-R254 HydrophobicContact CD2-CG 4.27Å; F249-R254 HydrophobicContact CE1-CG 3.69Å; F249-R254 HydrophobicContact CE2-CG 4.05Å; F249-R254 HydrophobicContact CG-CG 4.21Å; F249-R254 HydrophobicContact CZ-CG 3.75Å; F249-R254 PolarHBondContact O-NH1 3.48Å; F249-F257 HydrophobicContact CE2-CB 3.87Å; F249-F257 HydrophobicContact CE2-CD1 4.08Å; F249-F257 AromaticContact CE2-CG 3.99Å; F249-F257 HydrophobicContact CE2-CG 3.99Å; F249-F257 HydrophobicContact CZ-CB 4.26Å; F249-F257 AromaticContact CZ-CD1 3.63Å; F249-F257 HydrophobicContact CZ-CD1 3.63Å; F249-F257 HydrophobicContact CZ-CE1 4.2Å; F249-F257 HydrophobicContact CZ-CG 4.03Å
250G98.3Very high97.8Very high28 Ų2866.8 Ų66.829%0.28937%0.374SS..  trans-76.7-167.917800000113.2K252 E253 R254G250-K252 PolarHBondContact O-N 2.89Å; G250-E253 WeakPolarHBondContact CA-OE2 3.03Å; G250-E253 PolarHBondContact N-OE2 3Å; G250-E253 PolarHBondContact O-N 2.9Å; G250-R254 VanDerWaalsContact C-NH1 3.33Å; G250-R254 WeakPolarHBondContact O-CB 3.4Å; G250-R254 VanDerWaalsContact O-CG 3.28Å; G250-R254 WeakPolarHBondContact O-CG 3.3Å; G250-R254 PolarHBondContact O-N 2.73Å; G250-R254 PolarHBondContact O-NH1 2.79Å
251V98.8Very high97.8Very high31 Ų3160.5 Ų60.519%0.18835%0.345CS..Hα-helixtrans-60-48.2-175.4178.10000111.4E31 R254 D255E31-V251 HydrophobicContact CG-CB 4.37Å; E31-V251 HydrophobicContact CG-CG1 4.15Å; V251-R254 PolarHBondContact O-N 3.04Å; V251-D255 PolarHBondContact O-N 3.28Å
252K98.6Very high97.8Very high107 Ų10758.5 Ų58.547%0.46533%0.331SS..Hα-helixtrans-64.9-42.8-179.9-178.9176.4178.8179.20112.7E31 G250 R254 D255 Q256E31-K252 HydrophobicContact CG-CB 4.2Å; G250-K252 PolarHBondContact O-N 2.89Å; K252-R254 VanDerWaalsContact C-N 3.28Å; K252-R254 PolarHBondContact O-N 2.78Å; K252-D255 PolarHBondContact O-N 3.23Å; K252-Q256 WeakPolarHBondContact O-CG 3.29Å; K252-Q256 PolarHBondContact O-N 2.82Å; K252-Q256 VanDerWaalsContact O-N 3.09Å
253E98.8Very high97.8Very high62 Ų6262 Ų6229%0.2933%0.33SS..Hα-helixtrans-65.7-34.9177.8-6570.4-144.700111P248 F249 G250 F257P248-E253 HydrophobicContact CG-CG 4.48Å; F249-E253 HydrophobicContact CD2-CB 4.23Å; G250-E253 WeakPolarHBondContact CA-OE2 3.03Å; G250-E253 PolarHBondContact N-OE2 3Å; G250-E253 PolarHBondContact O-N 2.9Å; E253-F257 WeakPolarHBondContact O-CB 3.43Å; E253-F257 PolarHBondContact O-N 3.2Å
254R98.9Very high97.8Very high18 Ų1865 Ų657%0.06835%0.351CS..Hα-helixtrans-67-44.2173.5-73.9-167.7-49.7-92.310.4112.4F249 G250 V251 K252 Q256 F257 Y258 H294F249-R254 HydrophobicContact CD1-CG 3.93Å; F249-R254 HydrophobicContact CD2-CG 4.27Å; F249-R254 HydrophobicContact CE1-CG 3.69Å; F249-R254 HydrophobicContact CE2-CG 4.05Å; F249-R254 HydrophobicContact CG-CG 4.21Å; F249-R254 HydrophobicContact CZ-CG 3.75Å; F249-R254 PolarHBondContact O-NH1 3.48Å; G250-R254 VanDerWaalsContact C-NH1 3.33Å; G250-R254 WeakPolarHBondContact O-CB 3.4Å; G250-R254 VanDerWaalsContact O-CG 3.28Å; G250-R254 WeakPolarHBondContact O-CG 3.3Å; G250-R254 PolarHBondContact O-N 2.73Å; G250-R254 PolarHBondContact O-NH1 2.79Å; V251-R254 PolarHBondContact O-N 3.04Å; K252-R254 VanDerWaalsContact C-N 3.28Å; K252-R254 PolarHBondContact O-N 2.78Å; R254-Q256 VanDerWaalsContact C-N 3.33Å; R254-Q256 PolarHBondContact O-N 2.8Å; R254-F257 CarbonylContact O-C 3.59Å; R254-F257 WeakPolarHBondContact O-CB 3.12Å; R254-F257 PolarHBondContact O-N 2.88Å; R254-F257 VanDerWaalsContact O-N 3.14Å; R254-Y258 HydrophobicContact CB-CE1 4.47Å; R254-Y258 HydrophobicContact CB-CE2 3.95Å; R254-Y258 WeakPolarHBondContact CD-OH 3.43Å; R254-Y258 WeakPolarHBondContact O-CB 3.49Å; R254-Y258 WeakPolarHBondContact O-CD1 3.26Å; R254-Y258 WeakPolarHBondContact O-CD2 3.08Å; R254-Y258 PolarHBondContact O-N 3.38Å; R254-H294 PolarHBondContact NH2-O 3.49Å
255D98.8Very high97.8Very high25 Ų2562.1 Ų62.113%0.13434%0.342CS..Hα-helixtrans-56.7-47.3174-85.24.2000111.3G30 V251 K252 F257 Y258 T259 H299 G300G30-D255 VanDerWaalsContact CA-OD2 3.31Å; G30-D255 WeakPolarHBondContact CA-OD2 3.27Å; G30-D255 PolarHBondContact N-OD2 2.98Å; V251-D255 PolarHBondContact O-N 3.28Å; K252-D255 PolarHBondContact O-N 3.23Å; D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 3.48Å; D255-Y258 PolarHBondContact O-N 3.17Å; D255-T259 PolarHBondContact O-N 3.3Å; D255-T259 PolarHBondContact O-OG1 3.5Å; D255-H299 WeakPolarHBondContact OD1-CB 3.33Å; D255-G300 PolarHBondContact OD1-N 3.41Å
256Q98.8Very high97.8Very high119 Ų11962.2 Ų62.256%0.55634%0.341SS*.Hα-helixtrans-60-42.6176.3-69.9173.6-6.500112K252 R254 S260K252-Q256 WeakPolarHBondContact O-CG 3.29Å; K252-Q256 PolarHBondContact O-N 2.82Å; K252-Q256 VanDerWaalsContact O-N 3.09Å; R254-Q256 VanDerWaalsContact C-N 3.33Å; R254-Q256 PolarHBondContact O-N 2.8Å; Q256-S260 PolarHBondContact O-N 3.05Å
257F98.9Very high98Very high24 Ų2459.1 Ų59.111%0.10532%0.321CS..Hα-helixtrans-63.9-46.9176.6175.9-114.2000111.5Y230 L233 F249 E253 R254 D255 T259 S260 L261Y230-F257 HydrophobicContact CD2-CZ 4.14Å; Y230-F257 HydrophobicContact CE2-CZ 4.2Å; L233-F257 HydrophobicContact CD2-CE2 3.6Å; L233-F257 HydrophobicContact CD2-CZ 4.16Å; F249-F257 HydrophobicContact CE2-CB 3.87Å; F249-F257 HydrophobicContact CE2-CD1 4.08Å; F249-F257 AromaticContact CE2-CG 3.99Å; F249-F257 HydrophobicContact CE2-CG 3.99Å; F249-F257 HydrophobicContact CZ-CB 4.26Å; F249-F257 AromaticContact CZ-CD1 3.63Å; F249-F257 HydrophobicContact CZ-CD1 3.63Å; F249-F257 HydrophobicContact CZ-CE1 4.2Å; F249-F257 HydrophobicContact CZ-CG 4.03Å; E253-F257 WeakPolarHBondContact O-CB 3.43Å; E253-F257 PolarHBondContact O-N 3.2Å; R254-F257 CarbonylContact O-C 3.59Å; R254-F257 WeakPolarHBondContact O-CB 3.12Å; R254-F257 PolarHBondContact O-N 2.88Å; R254-F257 VanDerWaalsContact O-N 3.14Å; D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 3.48Å; F257-T259 PolarHBondContact O-N 3.25Å; F257-S260 WeakPolarHBondContact O-CA 3.47Å; F257-S260 WeakPolarHBondContact O-CB 3.39Å; F257-S260 PolarHBondContact O-N 2.97Å; F257-S260 PolarHBondContact O-OG 3.48Å; F257-L261 HydrophobicContact CD1-CD1 4.22Å; F257-L261 HydrophobicContact CE1-CD1 3.63Å; F257-L261 HydrophobicContact CE1-CG 4.26Å; F257-L261 HydrophobicContact CE2-CD1 4.37Å; F257-L261 HydrophobicContact CE2-CD2 3.95Å; F257-L261 HydrophobicContact CE2-CG 4.17Å; F257-L261 HydrophobicContact CZ-CD1 3.72Å; F257-L261 HydrophobicContact CZ-CD2 3.92Å; F257-L261 HydrophobicContact CZ-CG 4.01Å; F257-L261 WeakPolarHBondContact O-CG 3.1Å; F257-L261 PolarHBondContact O-N 3.49Å
258Y98.9Very high98.3Very high2 Ų249.9 Ų49.91%0.00828%0.278CS..Hα-helixtrans-63-42179.3-60.4-18.4000111.7R254 D255 S260 L261 S262 G267 I277 R295 H299R254-Y258 HydrophobicContact CB-CE1 4.47Å; R254-Y258 HydrophobicContact CB-CE2 3.95Å; R254-Y258 WeakPolarHBondContact CD-OH 3.43Å; R254-Y258 WeakPolarHBondContact O-CB 3.49Å; R254-Y258 WeakPolarHBondContact O-CD1 3.26Å; R254-Y258 WeakPolarHBondContact O-CD2 3.08Å; R254-Y258 PolarHBondContact O-N 3.38Å; D255-Y258 PolarHBondContact O-N 3.17Å; Y258-S260 VanDerWaalsContact C-N 3.29Å; Y258-S260 PolarHBondContact O-N 3.13Å; Y258-L261 PolarHBondContact O-N 3.43Å; Y258-L261 VanDerWaalsContact O-N 3.17Å; Y258-S262 PolarHBondContact O-N 3.09Å; Y258-S262 VanDerWaalsContact O-N 3.16Å; Y258-G267 WeakPolarHBondContact O-CA 3.44Å; Y258-I277 HydrophobicContact CD1-CD1 3.9Å; Y258-I277 HydrophobicContact CD1-CG1 3.71Å; Y258-I277 HydrophobicContact CD1-CG2 4.15Å; Y258-I277 HydrophobicContact CD2-CD1 4.45Å; Y258-I277 HydrophobicContact CD2-CG2 4.33Å; Y258-I277 HydrophobicContact CE1-CB 4.46Å; Y258-I277 HydrophobicContact CE1-CG1 4.08Å; Y258-I277 HydrophobicContact CE1-CG2 3.85Å; Y258-I277 HydrophobicContact CE2-CG2 4.03Å; Y258-I277 HydrophobicContact CG-CD1 3.8Å; Y258-I277 HydrophobicContact CG-CG1 4.14Å; Y258-I277 HydrophobicContact CG-CG2 4.4Å; Y258-R295 PolarHBondContact OH-O 3.23Å; Y258-R295 VanDerWaalsContact OH-O 3.14Å; Y258-H299 HydrophobicContact CD2-CB 3.85Å; Y258-H299 AromaticContact CD2-CG 3.69Å; Y258-H299 AromaticContact CD2-ND1 3.79Å; Y258-H299 HydrophobicContact CE2-CB 3.77Å; Y258-H299 AromaticContact CE2-CD2 3.89Å; Y258-H299 AromaticContact CE2-CG 3.73Å
259T98.8Very high98.6Very high72 Ų7246.2 Ų46.244%0.44226%0.255SS..Hα-helixtrans-59.2-39.4170.3-64.50000111.7D255 F257 L261 S262 G265D255-T259 PolarHBondContact O-N 3.3Å; D255-T259 PolarHBondContact O-OG1 3.5Å; F257-T259 PolarHBondContact O-N 3.25Å; T259-L261 VanDerWaalsContact C-N 3.28Å; T259-L261 PolarHBondContact O-N 2.93Å; T259-S262 WeakPolarHBondContact O-CB 3.31Å; T259-S262 PolarHBondContact O-N 3.13Å; T259-S262 PolarHBondContact O-OG 2.84Å; T259-G265 PolarHBondContact OG1-O 3.42Å
260S98.8Very high98.7Very high75 Ų7545.4 Ų45.452%0.52425%0.252SS..Hα-helixtrans-66.2-27.9177.583.70000114Q256 F257 Y258Q256-S260 PolarHBondContact O-N 3.05Å; F257-S260 WeakPolarHBondContact O-CA 3.47Å; F257-S260 WeakPolarHBondContact O-CB 3.39Å; F257-S260 PolarHBondContact O-N 2.97Å; F257-S260 PolarHBondContact O-OG 3.48Å; Y258-S260 VanDerWaalsContact C-N 3.29Å; Y258-S260 PolarHBondContact O-N 3.13Å
261L98.8Very high98.7Very high14 Ų1444 Ų447%0.07324%0.238CC..Hα-helixtrans-75.7-31.4175-64.5-179.1000112K226 F257 Y258 T259 H272 D273 M276 I277K226-L261 PolarHBondContact NZ-O 3.17Å; F257-L261 HydrophobicContact CD1-CD1 4.22Å; F257-L261 HydrophobicContact CE1-CD1 3.63Å; F257-L261 HydrophobicContact CE1-CG 4.26Å; F257-L261 HydrophobicContact CE2-CD1 4.37Å; F257-L261 HydrophobicContact CE2-CD2 3.95Å; F257-L261 HydrophobicContact CE2-CG 4.17Å; F257-L261 HydrophobicContact CZ-CD1 3.72Å; F257-L261 HydrophobicContact CZ-CD2 3.92Å; F257-L261 HydrophobicContact CZ-CG 4.01Å; F257-L261 WeakPolarHBondContact O-CG 3.1Å; F257-L261 PolarHBondContact O-N 3.49Å; Y258-L261 PolarHBondContact O-N 3.43Å; Y258-L261 VanDerWaalsContact O-N 3.17Å; T259-L261 VanDerWaalsContact C-N 3.28Å; T259-L261 PolarHBondContact O-N 2.93Å; L261-H272 PolarHBondContact O-NE2 3.07Å; L261-D273 HydrophobicContact CB-CB 4.29Å; L261-M276 HydrophobicContact CD1-CG 4.36Å; L261-M276 HydrophobicContact CD1-SD 3.93Å; L261-M276 HydrophobicContact CD2-SD 3.89Å; L261-M276 HydrophobicContact CG-SD 4.41Å; L261-I277 HydrophobicContact CD1-CG1 4.02Å
262S98.8Very high98.7Very high12 Ų1242.6 Ų42.68%0.08423%0.229CC..  trans-58.8160.6-170.178.20000115.4Y258 T259 G265 W266 D273Y258-S262 PolarHBondContact O-N 3.09Å; Y258-S262 VanDerWaalsContact O-N 3.16Å; T259-S262 WeakPolarHBondContact O-CB 3.31Å; T259-S262 PolarHBondContact O-N 3.13Å; T259-S262 PolarHBondContact O-OG 2.84Å; S262-G265 WeakPolarHBondContact OG-CA 3.35Å; S262-G265 PolarHBondContact OG-N 3.06Å; S262-W266 WeakPolarHBondContact CB-O 3.44Å; S262-D273 VanDerWaalsContact CA-OD2 3.25Å; S262-D273 WeakPolarHBondContact CA-OD2 3.1Å
263Y98.1Very high98.7Very high145 Ų14537.5 Ų37.557%0.56921%0.207SC*.SBendtrans-75.6-47.6171.1-173.9-94.7000111.5Y222 S270Y222-Y263 AromaticContact CE1-CD2 3.97Å; Y222-Y263 HydrophobicContact CE1-CD2 3.97Å; Y222-Y263 AromaticContact CE2-CD2 3.95Å; Y222-Y263 HydrophobicContact CE2-CD2 3.95Å; Y222-Y263 HydrophobicContact CE2-CE2 4.13Å; Y222-Y263 AromaticContact CZ-CD2 3.49Å; Y222-Y263 VanDerWaalsContact CZ-CD2 3.49Å; Y222-Y263 WeakPolarHBondContact OH-CD2 3.3Å; Y263-S270 WeakPolarHBondContact CB-OG 3.49Å
264S97.8Very high98.7Very high95 Ų9534.5 Ų34.566%0.66419%0.193SC*.SBendtrans-137.529-170.757.30000114.4
265G98.1Very high98.7Very high41 Ų4133.7 Ų33.742%0.42319%0.19SC..SBendtrans103.4-15.4170.900000115.6T259 S262T259-G265 PolarHBondContact OG1-O 3.42Å; S262-G265 WeakPolarHBondContact OG-CA 3.35Å; S262-G265 PolarHBondContact OG-N 3.06Å
266W98.6Very high98.7Very high56 Ų5632.5 Ų32.521%0.21218%0.183CC..SBendtrans-107.2102.3178.3-160.536.1000109.6E25 F26 S262 G268 S269 G301 D302E25-W266 HydrophobicContact CG-CH2 4.11Å; E25-W266 HydrophobicContact CG-CZ2 3.96Å; F26-W266 HydrophobicContact CE1-CH2 4.27Å; S262-W266 WeakPolarHBondContact CB-O 3.44Å; W266-G268 PolarHBondContact O-N 3.18Å; W266-S269 PolarHBondContact O-N 2.92Å; W266-S269 PolarHBondContact O-OG 3.4Å; W266-G301 PolarHBondContact NE1-O 2.99Å; W266-G301 VanDerWaalsContact NE1-O 3.13Å; W266-D302 HydrophobicContact CD2-CB 4.08Å; W266-D302 HydrophobicContact CE3-CB 4.17Å; W266-D302 HydrophobicContact CH2-CB 4Å; W266-D302 HydrophobicContact CZ2-CB 3.93Å; W266-D302 HydrophobicContact CZ3-CB 4.13Å
267G98.8Very high98.7Very high1 Ų126.8 Ų26.81%0.0116%0.157CC..THydrogen-bonded Turntrans-69.3128.2-173.600000112.1Y258 G301 D302Y258-G267 WeakPolarHBondContact O-CA 3.44Å; G267-G301 CarbonylContact O-C 3.54Å; G267-G301 VanDerWaalsContact O-CA 3.28Å; G267-G301 WeakPolarHBondContact O-CA 3.33Å; G267-D302 PolarHBondContact O-N 2.95Å
268G98.8Very high98.7Very high0 Ų025.7 Ų25.70%015%0.152CC..THydrogen-bonded Turntrans100.4-6.3-178.800000113.9W266 S270 D273 A274W266-G268 PolarHBondContact O-N 3.18Å; G268-S270 VanDerWaalsContact C-N 3.28Å; G268-S270 PolarHBondContact O-N 2.89Å; G268-D273 VanDerWaalsContact N-CG 3.27Å; G268-D273 PolarHBondContact N-OD2 3.5Å; G268-A274 WeakPolarHBondContact O-CA 3.47Å; G268-A274 WeakPolarHBondContact O-CB 3.41Å
269S98.8Very high98.7Very high19 Ų1925.6 Ų25.613%0.13315%0.152CC..  trans-84.93.1-171.585.10000114.9G128 C129 W266 D273 D302G128-S269 WeakPolarHBondContact CA-O 3.48Å; C129-S269 PolarHBondContact N-O 3.26Å; C129-S269 VanDerWaalsContact N-O 3.07Å; W266-S269 PolarHBondContact O-N 2.92Å; W266-S269 PolarHBondContact O-OG 3.4Å; S269-D273 PolarHBondContact N-OD1 2.94Å; S269-D302 VanDerWaalsContact CA-OD2 3.22Å; S269-D302 WeakPolarHBondContact CA-OD2 2.97Å
270S98.9Very high98.7Very high7 Ų722.1 Ų22.15%0.04913%0.131CC..BIsolated β-bridgetrans-126.3158.3-176-54.90000111.2G127 Y263 G268 H272 D273 A274G127-S270 WeakPolarHBondContact O-CA 3.35Å; G127-S270 WeakPolarHBondContact O-CB 3.44Å; Y263-S270 WeakPolarHBondContact CB-OG 3.49Å; G268-S270 VanDerWaalsContact C-N 3.28Å; G268-S270 PolarHBondContact O-N 2.89Å; S270-H272 VanDerWaalsContact CB-CE1 3.47Å; S270-H272 WeakPolarHBondContact CB-CE1 3.37Å; S270-H272 VanDerWaalsContact CB-ND1 3.29Å; S270-H272 WeakPolarHBondContact CB-ND1 3.34Å; S270-H272 PolarHBondContact O-N 3.35Å; S270-H272 VanDerWaalsContact O-N 3.14Å; S270-D273 VanDerWaalsContact CA-OD1 3.28Å; S270-D273 WeakPolarHBondContact CA-OD1 3.48Å; S270-D273 VanDerWaalsContact CB-OD1 3.25Å; S270-D273 WeakPolarHBondContact CB-OD1 3.38Å; S270-D273 PolarHBondContact N-OD1 3.34Å; S270-D273 PolarHBondContact O-N 3.32Å; S270-A274 WeakPolarHBondContact O-CB 3.44Å; S270-A274 PolarHBondContact O-N 2.74Å
271G98.9Very high98.8Very high0 Ų018.6 Ų18.60%011%0.106CC..THydrogen-bonded Turntrans-64.3-20.3-17900000113.6G127 G128 T167 G171 P275G127-G271 PolarHBondContact O-N 2.7Å; G128-G271 PolarHBondContact O-N 3.17Å; T167-G271 CarbonylContact O-C 3.42Å; T167-G271 WeakPolarHBondContact O-CA 3.49Å; G171-G271 WeakPolarHBondContact CA-O 3.41Å; G271-P275 VanDerWaalsContact O-CD 3.3Å; G271-P275 WeakPolarHBondContact O-CD 3.4Å; G271-P275 WeakPolarHBondContact O-CG 3.45Å
272H98.9Very high98.8Very high0 Ų018.1 Ų18.10%010%0.104CC..THydrogen-bonded Turntrans-80.1-38.8174.674-69.5000113.5T167 Y222 F223 W227 L261 S270 M276T167-H272 HydrophobicContact CG2-CB 4.13Å; T167-H272 PolarHBondContact O-N 3.5Å; Y222-H272 AromaticContact CE1-CE1 3.81Å; Y222-H272 AromaticContact CE1-CG 3.87Å; Y222-H272 AromaticContact CE1-ND1 3.63Å; F223-H272 HydrophobicContact CD2-CB 3.6Å; F223-H272 HydrophobicContact CE2-CB 4.05Å; F223-H272 HydrophobicContact CG-CB 4.36Å; W227-H272 PolarHBondContact NE1-O 3.29Å; W227-H272 VanDerWaalsContact NE1-O 3.11Å; L261-H272 PolarHBondContact O-NE2 3.07Å; S270-H272 VanDerWaalsContact CB-CE1 3.47Å; S270-H272 WeakPolarHBondContact CB-CE1 3.37Å; S270-H272 VanDerWaalsContact CB-ND1 3.29Å; S270-H272 WeakPolarHBondContact CB-ND1 3.34Å; S270-H272 PolarHBondContact O-N 3.35Å; S270-H272 VanDerWaalsContact O-N 3.14Å; H272-M276 WeakPolarHBondContact O-CB 3.47Å
273D98.9Very high98.8Very high0 Ų018.9 Ų18.90%011%0.106CC..THydrogen-bonded Turntrans-100.1-26.7-169.262.6-13.7000114.3L261 S262 G268 S269 S270 M276 I277L261-D273 HydrophobicContact CB-CB 4.29Å; S262-D273 VanDerWaalsContact CA-OD2 3.25Å; S262-D273 WeakPolarHBondContact CA-OD2 3.1Å; G268-D273 VanDerWaalsContact N-CG 3.27Å; G268-D273 PolarHBondContact N-OD2 3.5Å; S269-D273 PolarHBondContact N-OD1 2.94Å; S270-D273 VanDerWaalsContact CA-OD1 3.28Å; S270-D273 WeakPolarHBondContact CA-OD1 3.48Å; S270-D273 VanDerWaalsContact CB-OD1 3.25Å; S270-D273 WeakPolarHBondContact CB-OD1 3.38Å; S270-D273 PolarHBondContact N-OD1 3.34Å; S270-D273 PolarHBondContact O-N 3.32Å; D273-M276 PolarHBondContact O-N 3.17Å; D273-M276 VanDerWaalsContact O-N 3.14Å; D273-I277 WeakPolarHBondContact O-CB 3.44Å; D273-I277 WeakPolarHBondContact O-CG1 3.3Å; D273-I277 PolarHBondContact O-N 3.32Å
274A98.9Very high98.8Very high0 Ų013.5 Ų13.50%09%0.092CC..Hα-helixtrans-55.6-57.5173.500000112.1C129 G268 S270 M276 A278 T306 I309C129-A274 HydrophobicContact CB-CB 3.68Å; G268-A274 WeakPolarHBondContact O-CA 3.47Å; G268-A274 WeakPolarHBondContact O-CB 3.41Å; S270-A274 WeakPolarHBondContact O-CB 3.44Å; S270-A274 PolarHBondContact O-N 2.74Å; A274-M276 VanDerWaalsContact C-N 3.26Å; A274-M276 PolarHBondContact O-N 2.71Å; A274-A278 WeakPolarHBondContact O-CB 3.38Å; A274-A278 PolarHBondContact O-N 3.32Å; A274-A278 VanDerWaalsContact O-N 3.13Å; A274-T306 HydrophobicContact CB-CG2 4.42Å; A274-I309 HydrophobicContact CB-CD1 3.83Å
275P98.9Very high98.8Very high0 Ų09.4 Ų9.40%06%0.064CC..Hα-helixtrans-66.3-25.1174.525.1-34000113.5A174 W227 G271 Y279 I309 W313A174-P275 HydrophobicContact CB-CB 4.05Å; A174-P275 HydrophobicContact CB-CG 4.11Å; W227-P275 HydrophobicContact CZ2-CB 4.17Å; W227-P275 HydrophobicContact CZ2-CG 4.06Å; G271-P275 VanDerWaalsContact O-CD 3.3Å; G271-P275 WeakPolarHBondContact O-CD 3.4Å; G271-P275 WeakPolarHBondContact O-CG 3.45Å; P275-Y279 WeakPolarHBondContact O-CB 3.34Å; P275-Y279 PolarHBondContact O-N 3.32Å; P275-I309 HydrophobicContact CB-CD1 4.46Å; P275-W313 HydrophobicContact CB-CH2 3.78Å; P275-W313 HydrophobicContact CB-CZ2 4.27Å; P275-W313 VanDerWaalsContact O-CH2 3.3Å; P275-W313 WeakPolarHBondContact O-CH2 3.35Å; P275-W313 WeakPolarHBondContact O-CZ3 3.01Å
276M98.9Very high98.9Very high0 Ų08.7 Ų8.70%06%0.057CC..Hα-helixtrans-72.5-43.6179.3-173.6-178.8-66.500112.1K226 W227 Y230 L261 H272 D273 A274 Y279 D280K226-M276 HydrophobicContact CB-CE 4.39Å; W227-M276 HydrophobicContact CB-CE 4.32Å; W227-M276 HydrophobicContact CD2-CE 3.8Å; W227-M276 HydrophobicContact CE3-CE 4.46Å; W227-M276 HydrophobicContact CG-CE 3.71Å; W227-M276 HydrophobicContact CH2-CB 4.38Å; W227-M276 HydrophobicContact CZ2-CB 4.07Å; Y230-M276 WeakPolarHBondContact CB-SD 3.12Å; Y230-M276 HydrophobicContact CD1-CE 4.44Å; Y230-M276 HydrophobicContact CD1-CG 3.76Å; Y230-M276 HydrophobicContact CD1-SD 4.12Å; Y230-M276 HydrophobicContact CD2-CG 3.71Å; Y230-M276 HydrophobicContact CD2-SD 3.7Å; Y230-M276 HydrophobicContact CE1-CG 4.03Å; Y230-M276 HydrophobicContact CE2-CG 3.97Å; Y230-M276 HydrophobicContact CG-CE 4.14Å; Y230-M276 HydrophobicContact CG-CG 3.61Å; Y230-M276 HydrophobicContact CG-SD 3.47Å; L261-M276 HydrophobicContact CD1-CG 4.36Å; L261-M276 HydrophobicContact CD1-SD 3.93Å; L261-M276 HydrophobicContact CD2-SD 3.89Å; L261-M276 HydrophobicContact CG-SD 4.41Å; H272-M276 WeakPolarHBondContact O-CB 3.47Å; D273-M276 PolarHBondContact O-N 3.17Å; D273-M276 VanDerWaalsContact O-N 3.14Å; A274-M276 VanDerWaalsContact C-N 3.26Å; A274-M276 PolarHBondContact O-N 2.71Å; M276-Y279 PolarHBondContact O-N 3.04Å; M276-D280 WeakPolarHBondContact O-CB 3.41Å; M276-D280 PolarHBondContact O-N 2.84Å
277I98.9Very high98.9Very high0 Ų010.1 Ų10.10%07%0.068CC..Hα-helixtrans-67.5-42.9176.3-68.7169.4000110Y258 L261 D273 Y279 D280 A281 T306Y258-I277 HydrophobicContact CD1-CD1 3.9Å; Y258-I277 HydrophobicContact CD1-CG1 3.71Å; Y258-I277 HydrophobicContact CD1-CG2 4.15Å; Y258-I277 HydrophobicContact CD2-CD1 4.45Å; Y258-I277 HydrophobicContact CD2-CG2 4.33Å; Y258-I277 HydrophobicContact CE1-CB 4.46Å; Y258-I277 HydrophobicContact CE1-CG1 4.08Å; Y258-I277 HydrophobicContact CE1-CG2 3.85Å; Y258-I277 HydrophobicContact CE2-CG2 4.03Å; Y258-I277 HydrophobicContact CG-CD1 3.8Å; Y258-I277 HydrophobicContact CG-CG1 4.14Å; Y258-I277 HydrophobicContact CG-CG2 4.4Å; L261-I277 HydrophobicContact CD1-CG1 4.02Å; D273-I277 WeakPolarHBondContact O-CB 3.44Å; D273-I277 WeakPolarHBondContact O-CG1 3.3Å; D273-I277 PolarHBondContact O-N 3.32Å; I277-Y279 PolarHBondContact O-N 3.3Å; I277-D280 WeakPolarHBondContact O-CB 3.49Å; I277-D280 PolarHBondContact O-N 3.13Å; I277-A281 PolarHBondContact O-N 3.27Å; I277-T306 HydrophobicContact CB-CG2 3.8Å; I277-T306 HydrophobicContact CD1-CG2 4.3Å; I277-T306 HydrophobicContact CG2-CG2 3.81Å
278A98.9Very high98.9Very high0 Ų012.3 Ų12.30%08%0.084CC..Hα-helixtrans-56-41.217200000111.9A274 A281 V282 I309 A310 W313A274-A278 WeakPolarHBondContact O-CB 3.38Å; A274-A278 PolarHBondContact O-N 3.32Å; A274-A278 VanDerWaalsContact O-N 3.13Å; A278-A281 PolarHBondContact O-N 3Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 3.22Å; A278-I309 HydrophobicContact CB-CB 3.95Å; A278-I309 HydrophobicContact CB-CG2 3.8Å; A278-A310 HydrophobicContact CB-CB 3.77Å; A278-W313 HydrophobicContact CB-CE3 4.14Å; A278-W313 HydrophobicContact CB-CH2 4.24Å; A278-W313 HydrophobicContact CB-CZ3 3.6Å
279Y98.9Very high98.9Very high0 Ų012.5 Ų12.50%08%0.084CC..Hα-helixtrans-72.2-40.1-178.9176.7-126.3000111.4F178 P188 W191 G192 W227 Y230 L231 I236 P275 M276 I277 A281 V282 L283F178-Y279 HydrophobicContact CD2-CD2 4.21Å; F178-Y279 HydrophobicContact CD2-CG 4.41Å; F178-Y279 HydrophobicContact CE2-CD1 4.22Å; F178-Y279 AromaticContact CE2-CD2 3.94Å; F178-Y279 HydrophobicContact CE2-CD2 3.94Å; F178-Y279 HydrophobicContact CE2-CE2 4.36Å; F178-Y279 AromaticContact CE2-CG 3.86Å; F178-Y279 HydrophobicContact CE2-CG 3.86Å; P188-Y279 VanDerWaalsContact O-CE2 3.25Å; P188-Y279 WeakPolarHBondContact O-CE2 3.42Å; P188-Y279 PolarHBondContact O-OH 3.42Å; W191-Y279 HydrophobicContact CB-CE2 3.79Å; W191-Y279 HydrophobicContact CD2-CE2 4.19Å; W191-Y279 AromaticContact CE3-CD2 3.76Å; W191-Y279 HydrophobicContact CE3-CD2 3.76Å; W191-Y279 AromaticContact CE3-CE2 3.78Å; W191-Y279 HydrophobicContact CE3-CE2 3.78Å; W191-Y279 HydrophobicContact CG-CE2 4.25Å; W191-Y279 HydrophobicContact CZ3-CD2 4.39Å; G192-Y279 PolarHBondContact N-OH 3.05Å; W227-Y279 HydrophobicContact CZ3-CD1 4.15Å; Y230-Y279 AromaticContact CE1-CD1 3.7Å; Y230-Y279 HydrophobicContact CE1-CD1 3.7Å; Y230-Y279 AromaticContact CE1-CE1 3.95Å; Y230-Y279 HydrophobicContact CE1-CE1 3.95Å; L231-Y279 HydrophobicContact CD2-CE1 4.05Å; I236-Y279 HydrophobicContact CD1-CE1 3.86Å; P275-Y279 WeakPolarHBondContact O-CB 3.34Å; P275-Y279 PolarHBondContact O-N 3.32Å; M276-Y279 PolarHBondContact O-N 3.04Å; I277-Y279 PolarHBondContact O-N 3.3Å; Y279-A281 VanDerWaalsContact C-N 3.28Å; Y279-A281 PolarHBondContact O-N 3.14Å; Y279-V282 PolarHBondContact O-N 3.31Å; Y279-L283 HydrophobicContact CD1-CD1 4Å; Y279-L283 HydrophobicContact CD2-CD1 4.35Å; Y279-L283 HydrophobicContact CD2-CG 4.14Å; Y279-L283 HydrophobicContact CE1-CD1 3.61Å; Y279-L283 HydrophobicContact CE1-CG 4.34Å; Y279-L283 HydrophobicContact CE2-CD1 3.99Å; Y279-L283 HydrophobicContact CE2-CD2 3.86Å; Y279-L283 HydrophobicContact CE2-CG 3.79Å; Y279-L283 HydrophobicContact CG-CD1 4.35Å; Y279-L283 WeakPolarHBondContact O-CG 3.47Å; Y279-L283 PolarHBondContact O-N 3.18Å
280D98.9Very high98.9Very high0 Ų015.3 Ų15.30%09%0.094CC..Hα-helixtrans-58.3-41.6173.9-157.564.1000112Y230 R234 F245 M276 I277 A284Y230-D280 HydrophobicContact CE2-CB 4.28Å; Y230-D280 WeakPolarHBondContact CE2-OD1 3.37Å; Y230-D280 WeakPolarHBondContact OH-CA 3.48Å; Y230-D280 WeakPolarHBondContact OH-CB 3.34Å; Y230-D280 PolarHBondContact OH-OD1 3.14Å; R234-D280 IonicContact CZ-OD1 3.94Å; R234-D280 IonicContact CZ-OD2 3.63Å; R234-D280 IonicContact NE-OD1 2.91Å; R234-D280 PolarHBondContact NE-OD1 3.42Å; R234-D280 IonicContact NE-OD2 3.92Å; R234-D280 VanDerWaalsContact NH2-CG 3.25Å; R234-D280 IonicContact NH2-OD1 3.87Å; R234-D280 PolarHBondContact NH2-OD1 2.93Å; R234-D280 IonicContact NH2-OD2 3.95Å; R234-D280 PolarHBondContact NH2-OD2 3.26Å; F245-D280 WeakPolarHBondContact CE1-OD1 3.46Å; M276-D280 WeakPolarHBondContact O-CB 3.41Å; M276-D280 PolarHBondContact O-N 2.84Å; I277-D280 WeakPolarHBondContact O-CB 3.49Å; I277-D280 PolarHBondContact O-N 3.13Å; D280-A284 PolarHBondContact O-N 3.27Å
281A98.9Very high98.9Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-65.5-4617500000111.9I277 A278 Y279 L283 A284 A285 L292 R295 A296I277-A281 PolarHBondContact O-N 3.27Å; A278-A281 PolarHBondContact O-N 3Å; Y279-A281 VanDerWaalsContact C-N 3.28Å; Y279-A281 PolarHBondContact O-N 3.14Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 3.25Å; A281-A284 PolarHBondContact O-N 2.87Å; A281-A285 WeakPolarHBondContact O-CB 3.38Å; A281-A285 PolarHBondContact O-N 3.42Å; A281-L292 HydrophobicContact CB-CD1 4.03Å; A281-R295 HydrophobicContact CB-CB 3.62Å; A281-A296 HydrophobicContact CB-CB 3.62Å
282V98.9Very high98.9Very high5 Ų517.7 Ų17.73%0.0311%0.105CC..Hα-helixtrans-57-45.6176.1160.10000111.7P188 W191 A278 Y279 A284 A285 G286 L292 W313 M317P188-V282 HydrophobicContact CB-CG1 4.06Å; P188-V282 HydrophobicContact CG-CG1 4.25Å; W191-V282 HydrophobicContact CH2-CG1 4.23Å; W191-V282 HydrophobicContact CZ3-CG1 4.04Å; A278-V282 WeakPolarHBondContact O-CG2 3.25Å; A278-V282 PolarHBondContact O-N 3.22Å; Y279-V282 PolarHBondContact O-N 3.31Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 2.91Å; V282-A285 PolarHBondContact O-N 2.7Å; V282-G286 PolarHBondContact O-N 2.77Å; V282-L292 HydrophobicContact CG2-CD1 3.82Å; V282-W313 HydrophobicContact CG2-CB 4.43Å; V282-W313 HydrophobicContact CG2-CE3 4.2Å; V282-M317 HydrophobicContact CG1-CE 3.68Å; V282-M317 HydrophobicContact CG2-CE 4.34Å
283L98.9Very high98.9Very high27 Ų2717.7 Ų17.714%0.14111%0.105CC..Hα-helixtrans-61.6-38.3179.9-74.8172.7000112.6P188 I236 P243 F245 Y279 A281P188-L283 HydrophobicContact CB-CD2 3.98Å; I236-L283 HydrophobicContact CD1-CD1 3.62Å; P243-L283 HydrophobicContact CB-CD1 4.32Å; P243-L283 HydrophobicContact CG-CB 4.15Å; P243-L283 HydrophobicContact CG-CD2 4.15Å; F245-L283 HydrophobicContact CE2-CB 4.48Å; F245-L283 HydrophobicContact CZ-CB 3.95Å; Y279-L283 HydrophobicContact CD1-CD1 4Å; Y279-L283 HydrophobicContact CD2-CD1 4.35Å; Y279-L283 HydrophobicContact CD2-CG 4.14Å; Y279-L283 HydrophobicContact CE1-CD1 3.61Å; Y279-L283 HydrophobicContact CE1-CG 4.34Å; Y279-L283 HydrophobicContact CE2-CD1 3.99Å; Y279-L283 HydrophobicContact CE2-CD2 3.86Å; Y279-L283 HydrophobicContact CE2-CG 3.79Å; Y279-L283 HydrophobicContact CG-CD1 4.35Å; Y279-L283 WeakPolarHBondContact O-CG 3.47Å; Y279-L283 PolarHBondContact O-N 3.18Å; A281-L283 VanDerWaalsContact C-N 3.33Å; A281-L283 PolarHBondContact O-N 3.25Å
284A98.8Very high98.9Very high32 Ų3220 Ų2026%0.26412%0.115SC..Hα-helixtrans-81.4-33.9179.900000113.4F245 D280 A281 V282 R295F245-A284 HydrophobicContact CE1-CB 4.04Å; F245-A284 HydrophobicContact CE2-CB 4.09Å; F245-A284 HydrophobicContact CZ-CB 3.68Å; D280-A284 PolarHBondContact O-N 3.27Å; A281-A284 PolarHBondContact O-N 2.87Å; V282-A284 VanDerWaalsContact C-N 3.31Å; V282-A284 PolarHBondContact O-N 2.91Å; A284-R295 VanDerWaalsContact CB-CZ 3.48Å
285A98.8Very high98.9Very high9 Ų921.4 Ų21.47%0.07412%0.121CC..Hα-helixtrans-80.9-32.1-168.200000114.3A281 V282 D287 S288 E291 L292A281-A285 WeakPolarHBondContact O-CB 3.38Å; A281-A285 PolarHBondContact O-N 3.42Å; V282-A285 PolarHBondContact O-N 2.7Å; A285-D287 PolarHBondContact O-N 3.17Å; A285-S288 WeakPolarHBondContact O-CB 3.39Å; A285-S288 PolarHBondContact O-N 3.27Å; A285-S288 VanDerWaalsContact O-N 3.08Å; A285-E291 HydrophobicContact CB-CB 4.01Å; A285-E291 HydrophobicContact CB-CG 4.08Å; A285-L292 HydrophobicContact CB-CB 3.81Å; A285-L292 HydrophobicContact CB-CD1 4.14Å
286G98.3Very high98.9Very high27 Ų2721.4 Ų21.428%0.27812%0.121SC..THydrogen-bonded Turntrans53.4-129.5-170.500000111.2V282 S288 W314 Y318V282-G286 PolarHBondContact O-N 2.77Å; G286-S288 VanDerWaalsContact C-N 3.26Å; G286-S288 PolarHBondContact O-N 2.88Å; G286-W314 PolarHBondContact O-NE1 3.29Å; G286-Y318 WeakPolarHBondContact O-CE2 3.25Å; G286-Y318 PolarHBondContact O-OH 3.11Å
287D98.6Very high98.9Very high85 Ų8521.4 Ų21.446%0.45512%0.121SC..THydrogen-bonded Turntrans-85.715.4-179.678.9-26.2000114.5A285 W314 Y318 K321A285-D287 PolarHBondContact O-N 3.17Å; D287-W314 WeakPolarHBondContact O-CZ2 3.38Å; D287-Y318 HydrophobicContact CB-CD1 3.64Å; D287-Y318 HydrophobicContact CB-CE1 3.49Å; D287-Y318 VanDerWaalsContact CB-CE1 3.49Å; D287-Y318 HydrophobicContact CB-CG 4.33Å; D287-K321 IonicContact OD2-NZ 3.85Å; D287-K321 PolarHBondContact OD2-NZ 3.41Å
288S98.9Very high98.9Very high47 Ų4721.4 Ų21.433%0.32912%0.121SC..  trans-97101.5177.6-179.40000112.1A285 G286 K290 E291 L292A285-S288 WeakPolarHBondContact O-CB 3.39Å; A285-S288 PolarHBondContact O-N 3.27Å; A285-S288 VanDerWaalsContact O-N 3.08Å; G286-S288 VanDerWaalsContact C-N 3.26Å; G286-S288 PolarHBondContact O-N 2.88Å; S288-K290 PolarHBondContact O-N 3.4Å; S288-E291 PolarHBondContact O-N 3.26Å; S288-E291 WeakPolarHBondContact OG-CB 3.48Å; S288-E291 PolarHBondContact OG-N 2.99Å; S288-E291 VanDerWaalsContact OG-N 3.13Å; S288-L292 PolarHBondContact O-N 3.15Å
289W98.9Very high98.9Very high4 Ų421.5 Ų21.52%0.01512%0.121CC..Hα-helixtrans-53.7-38171.4175-115.3000112.3L10 L17 L292 A293 F297 W314 V323 N327L10-W289 HydrophobicContact CB-CH2 4.05Å; L10-W289 HydrophobicContact CB-CZ3 4.14Å; L10-W289 HydrophobicContact CD1-CZ3 4.35Å; L10-W289 HydrophobicContact CD2-CH2 4.35Å; L17-W289 HydrophobicContact CD1-CZ2 4.16Å; W289-L292 HydrophobicContact CE3-CD2 3.87Å; W289-L292 HydrophobicContact CZ3-CD2 3.85Å; W289-L292 WeakPolarHBondContact O-CB 3.4Å; W289-L292 PolarHBondContact O-N 3.45Å; W289-A293 WeakPolarHBondContact O-CB 3.49Å; W289-A293 PolarHBondContact O-N 2.84Å; W289-F297 HydrophobicContact CE3-CZ 4.27Å; W289-F297 AromaticContact CH2-CE2 3.45Å; W289-F297 HydrophobicContact CH2-CE2 3.45Å; W289-F297 VanDerWaalsContact CH2-CE2 3.45Å; W289-F297 AromaticContact CH2-CZ 3.45Å; W289-F297 HydrophobicContact CH2-CZ 3.45Å; W289-F297 VanDerWaalsContact CH2-CZ 3.45Å; W289-F297 AromaticContact CZ2-CE2 3.49Å; W289-F297 HydrophobicContact CZ2-CE2 3.49Å; W289-F297 VanDerWaalsContact CZ2-CE2 3.49Å; W289-F297 AromaticContact CZ2-CZ 3.99Å; W289-F297 HydrophobicContact CZ2-CZ 3.99Å; W289-F297 AromaticContact CZ3-CE2 4Å; W289-F297 HydrophobicContact CZ3-CE2 4Å; W289-F297 AromaticContact CZ3-CZ 3.62Å; W289-F297 HydrophobicContact CZ3-CZ 3.62Å; W289-W314 HydrophobicContact CB-CH2 3.85Å; W289-W314 HydrophobicContact CB-CZ2 3.92Å; W289-W314 HydrophobicContact CB-CZ3 4.37Å; W289-W314 HydrophobicContact CE3-CD2 4.02Å; W289-W314 AromaticContact CE3-CE3 3.66Å; W289-W314 HydrophobicContact CE3-CE3 3.66Å; W289-W314 AromaticContact CE3-CZ3 3.94Å; W289-W314 HydrophobicContact CE3-CZ3 3.94Å; W289-W314 HydrophobicContact CZ3-CE3 4.15Å; W289-V323 HydrophobicContact CB-CG2 4.1Å; W289-V323 HydrophobicContact CD2-CG1 4.46Å; W289-V323 HydrophobicContact CD2-CG2 3.98Å; W289-V323 HydrophobicContact CE3-CG2 4.41Å; W289-V323 HydrophobicContact CG-CB 4.44Å; W289-V323 HydrophobicContact CG-CG1 4.44Å; W289-V323 HydrophobicContact CG-CG2 3.82Å; W289-N327 PolarHBondContact NE1-OD1 2.84Å
290K98.9Very high98.9Very high78 Ų7822.1 Ų22.134%0.33913%0.127SC..Hα-helixtrans-69.3-41.6-178.5-163.7169.9-159.8160.40112.7L43 D44 S288 A293 H294L43-K290 HydrophobicContact CB-CG 4.46Å; L43-K290 HydrophobicContact CD2-CB 4.1Å; L43-K290 HydrophobicContact CD2-CG 3.99Å; D44-K290 IonicContact OD2-NZ 2.68Å; D44-K290 PolarHBondContact OD2-NZ 3.19Å; S288-K290 PolarHBondContact O-N 3.4Å; K290-A293 PolarHBondContact O-N 3.36Å; K290-H294 WeakPolarHBondContact O-CB 3.18Å; K290-H294 PolarHBondContact O-N 3.46Å; K290-H294 PolarHBondContact O-ND1 3.48Å
291E98.9Very high98.8Very high58 Ų5822.3 Ų22.327%0.27113%0.129SC..Hα-helixtrans-68.5-37.9175.9-173.963.8-171.500111.2A285 S288 A293 H294 R295A285-E291 HydrophobicContact CB-CB 4.01Å; A285-E291 HydrophobicContact CB-CG 4.08Å; S288-E291 PolarHBondContact O-N 3.26Å; S288-E291 WeakPolarHBondContact OG-CB 3.48Å; S288-E291 PolarHBondContact OG-N 2.99Å; S288-E291 VanDerWaalsContact OG-N 3.13Å; E291-A293 VanDerWaalsContact C-N 3.35Å; E291-H294 PolarHBondContact O-N 2.84Å; E291-R295 WeakPolarHBondContact O-CG 3.28Å; E291-R295 PolarHBondContact O-N 2.91Å; E291-R295 IonicContact OE1-CZ 3.17Å; E291-R295 IonicContact OE1-NE 2.7Å; E291-R295 PolarHBondContact OE1-NE 3.35Å; E291-R295 IonicContact OE1-NH2 2.91Å; E291-R295 PolarHBondContact OE1-NH2 3.36Å
292L98.9Very high98.8Very high0 Ų022.6 Ų22.60%013%0.131CC..Hα-helixtrans-57.6-50.2172.4-172.880.7000110.4A281 V282 A285 S288 W289 H294 R295 A296 F297 A310 W314A281-L292 HydrophobicContact CB-CD1 4.03Å; V282-L292 HydrophobicContact CG2-CD1 3.82Å; A285-L292 HydrophobicContact CB-CB 3.81Å; A285-L292 HydrophobicContact CB-CD1 4.14Å; S288-L292 PolarHBondContact O-N 3.15Å; W289-L292 HydrophobicContact CE3-CD2 3.87Å; W289-L292 HydrophobicContact CZ3-CD2 3.85Å; W289-L292 WeakPolarHBondContact O-CB 3.4Å; W289-L292 PolarHBondContact O-N 3.45Å; L292-H294 PolarHBondContact O-N 2.89Å; L292-R295 PolarHBondContact O-N 3.09Å; L292-R295 VanDerWaalsContact O-N 3.13Å; L292-A296 PolarHBondContact O-N 3.48Å; L292-F297 HydrophobicContact CD2-CE1 4.06Å; L292-F297 HydrophobicContact CD2-CZ 3.78Å; L292-F297 HydrophobicContact CG-CE1 4.11Å; L292-F297 HydrophobicContact CG-CZ 4.16Å; L292-A310 HydrophobicContact CD1-CB 4.23Å; L292-A310 HydrophobicContact CG-CB 4.43Å; L292-W314 HydrophobicContact CD1-CB 4.47Å; L292-W314 HydrophobicContact CD2-CB 3.42Å; L292-W314 VanDerWaalsContact CD2-CB 3.42Å; L292-W314 HydrophobicContact CD2-CD2 4.21Å; L292-W314 HydrophobicContact CD2-CG 3.5Å
293A98.9Very high98.8Very high0 Ų022.4 Ų22.40%013%0.129CC..Hα-helixtrans-62.2-44.9-17900000112.9L43 W289 K290 E291 R295 F297 F298L43-A293 HydrophobicContact CD1-CB 4.35Å; L43-A293 HydrophobicContact CD2-CB 3.59Å; W289-A293 WeakPolarHBondContact O-CB 3.49Å; W289-A293 PolarHBondContact O-N 2.84Å; K290-A293 PolarHBondContact O-N 3.36Å; E291-A293 VanDerWaalsContact C-N 3.35Å; A293-R295 PolarHBondContact O-N 3.08Å; A293-R295 VanDerWaalsContact O-N 3.09Å; A293-F297 HydrophobicContact CB-CB 4.49Å; A293-F297 HydrophobicContact CB-CD2 3.27Å; A293-F297 HydrophobicContact CB-CE2 3.42Å; A293-F297 VanDerWaalsContact CB-CE2 3.42Å; A293-F297 HydrophobicContact CB-CG 3.95Å; A293-F297 HydrophobicContact CB-CZ 4.22Å; A293-F297 WeakPolarHBondContact O-CA 3.46Å; A293-F297 WeakPolarHBondContact O-CB 3.4Å; A293-F297 PolarHBondContact O-N 3.32Å; A293-F298 HydrophobicContact CB-CD2 4.24Å; A293-F298 HydrophobicContact CB-CE2 3.69Å; A293-F298 HydrophobicContact CB-CZ 4.39Å; A293-F298 VanDerWaalsContact O-CD2 3.26Å; A293-F298 WeakPolarHBondContact O-CD2 3.42Å; A293-F298 PolarHBondContact O-N 3.41Å
294H98.9Very high98.8Very high47 Ų4721.1 Ų21.122%0.21812%0.123CC..Hα-helixtrans-60.3-20.2176.7-71.3165.9000114.1H34 R254 K290 E291 L292H34-H294 AromaticContact CE1-CD2 3.94Å; H34-H294 PolarHBondContact CE1-O 3.28Å; H34-H294 PolarHBondContact NE2-O 3.43Å; R254-H294 PolarHBondContact NH2-O 3.49Å; K290-H294 WeakPolarHBondContact O-CB 3.18Å; K290-H294 PolarHBondContact O-N 3.46Å; K290-H294 PolarHBondContact O-ND1 3.48Å; E291-H294 PolarHBondContact O-N 2.84Å; L292-H294 PolarHBondContact O-N 2.89Å
295R98.9Very high98.8Very high31 Ų3119.8 Ų19.812%0.11711%0.111CC..Hα-helixtrans-102.1-49.1-179-68.7179.3180-95.7-6112.7Y258 A281 A284 E291 L292 A293 H299Y258-R295 PolarHBondContact OH-O 3.23Å; Y258-R295 VanDerWaalsContact OH-O 3.14Å; A281-R295 HydrophobicContact CB-CB 3.62Å; A284-R295 VanDerWaalsContact CB-CZ 3.48Å; E291-R295 WeakPolarHBondContact O-CG 3.28Å; E291-R295 PolarHBondContact O-N 2.91Å; E291-R295 IonicContact OE1-CZ 3.17Å; E291-R295 IonicContact OE1-NE 2.7Å; E291-R295 PolarHBondContact OE1-NE 3.35Å; E291-R295 IonicContact OE1-NH2 2.91Å; E291-R295 PolarHBondContact OE1-NH2 3.36Å; L292-R295 PolarHBondContact O-N 3.09Å; L292-R295 VanDerWaalsContact O-N 3.13Å; A293-R295 PolarHBondContact O-N 3.08Å; A293-R295 VanDerWaalsContact O-N 3.09Å; R295-H299 PolarHBondContact O-CD2 3.14Å
296A98.9Very high98.8Very high0 Ų019.3 Ų19.30%011%0.108CC..Hα-helixtrans-96.1-21.6-173.300000114.1A281 L292 H299 T306 A307 A310A281-A296 HydrophobicContact CB-CB 3.62Å; L292-A296 PolarHBondContact O-N 3.48Å; A296-H299 PolarHBondContact O-NE2 2.69Å; A296-T306 PolarHBondContact O-OG1 2.92Å; A296-A307 PolarHBondContact O-N 3.46Å; A296-A310 HydrophobicContact CB-CB 3.63Å
297F98.9Very high98.9Very high0 Ų018 Ų180%010%0.095CC..THydrogen-bonded Turntrans-107-26.9-172.5-44-8000111.4L17 G18 W289 L292 A293 S303 A307 A310L17-F297 HydrophobicContact CB-CD2 4.35Å; L17-F297 HydrophobicContact CD1-CD2 4.22Å; L17-F297 HydrophobicContact CD1-CE2 4.38Å; G18-F297 WeakPolarHBondContact CA-O 3.47Å; W289-F297 HydrophobicContact CE3-CZ 4.27Å; W289-F297 AromaticContact CH2-CE2 3.45Å; W289-F297 HydrophobicContact CH2-CE2 3.45Å; W289-F297 VanDerWaalsContact CH2-CE2 3.45Å; W289-F297 AromaticContact CH2-CZ 3.45Å; W289-F297 HydrophobicContact CH2-CZ 3.45Å; W289-F297 VanDerWaalsContact CH2-CZ 3.45Å; W289-F297 AromaticContact CZ2-CE2 3.49Å; W289-F297 HydrophobicContact CZ2-CE2 3.49Å; W289-F297 VanDerWaalsContact CZ2-CE2 3.49Å; W289-F297 AromaticContact CZ2-CZ 3.99Å; W289-F297 HydrophobicContact CZ2-CZ 3.99Å; W289-F297 AromaticContact CZ3-CE2 4Å; W289-F297 HydrophobicContact CZ3-CE2 4Å; W289-F297 AromaticContact CZ3-CZ 3.62Å; W289-F297 HydrophobicContact CZ3-CZ 3.62Å; L292-F297 HydrophobicContact CD2-CE1 4.06Å; L292-F297 HydrophobicContact CD2-CZ 3.78Å; L292-F297 HydrophobicContact CG-CE1 4.11Å; L292-F297 HydrophobicContact CG-CZ 4.16Å; A293-F297 HydrophobicContact CB-CB 4.49Å; A293-F297 HydrophobicContact CB-CD2 3.27Å; A293-F297 HydrophobicContact CB-CE2 3.42Å; A293-F297 VanDerWaalsContact CB-CE2 3.42Å; A293-F297 HydrophobicContact CB-CG 3.95Å; A293-F297 HydrophobicContact CB-CZ 4.22Å; A293-F297 WeakPolarHBondContact O-CA 3.46Å; A293-F297 WeakPolarHBondContact O-CB 3.4Å; A293-F297 PolarHBondContact O-N 3.32Å; F297-S303 WeakPolarHBondContact O-CB 3.24Å; F297-A307 HydrophobicContact CB-CB 3.92Å; F297-A307 VanDerWaalsContact CD1-CA 3.47Å; F297-A307 HydrophobicContact CD1-CB 3.18Å; F297-A307 HydrophobicContact CE1-CB 3.87Å; F297-A307 HydrophobicContact CG-CB 3.63Å; F297-A310 HydrophobicContact CE1-CB 4.18Å
298F98.9Very high98.9Very high0 Ų014 Ų140%07%0.073CC..SBendtrans-121.780.3-171.5-51.2-44.7000110L17 W24 I33 H34 L37 L43 A293L17-F298 HydrophobicContact CB-CE1 4.24Å; L17-F298 HydrophobicContact CB-CZ 4.34Å; W24-F298 AromaticContact CE3-CD1 3.79Å; W24-F298 HydrophobicContact CE3-CD1 3.79Å; W24-F298 AromaticContact CE3-CE1 3.78Å; W24-F298 HydrophobicContact CE3-CE1 3.78Å; W24-F298 HydrophobicContact CH2-CE1 4.47Å; W24-F298 AromaticContact CZ3-CD1 3.71Å; W24-F298 HydrophobicContact CZ3-CD1 3.71Å; W24-F298 AromaticContact CZ3-CE1 3.39Å; W24-F298 HydrophobicContact CZ3-CE1 3.39Å; W24-F298 HydrophobicContact CZ3-CZ 4.23Å; I33-F298 HydrophobicContact CG2-CB 3.84Å; I33-F298 HydrophobicContact CG2-CD1 4.1Å; I33-F298 HydrophobicContact CG2-CG 4.3Å; H34-F298 PolarHBondContact CD2-O 3.37Å; H34-F298 WeakPolarHBondContact NE2-CB 3.34Å; H34-F298 PolarHBondContact NE2-O 3.4Å; L37-F298 HydrophobicContact CD1-CE2 4.22Å; L37-F298 HydrophobicContact CD1-CZ 4.23Å; L37-F298 HydrophobicContact CD2-CD2 3.58Å; L37-F298 HydrophobicContact CD2-CE2 3.64Å; L37-F298 HydrophobicContact CD2-CG 4.26Å; L37-F298 HydrophobicContact CD2-CZ 4.39Å; L43-F298 HydrophobicContact CD1-CE2 4.13Å; L43-F298 HydrophobicContact CD1-CZ 3.98Å; A293-F298 HydrophobicContact CB-CD2 4.24Å; A293-F298 HydrophobicContact CB-CE2 3.69Å; A293-F298 HydrophobicContact CB-CZ 4.39Å; A293-F298 VanDerWaalsContact O-CD2 3.26Å; A293-F298 WeakPolarHBondContact O-CD2 3.42Å; A293-F298 PolarHBondContact O-N 3.41Å
299H98.9Very high98.9Very high1 Ų111.8 Ų11.81%0.0056%0.058CC..SBendtrans-150.1162.7175.564.481.8000110.5I33 D255 Y258 R295 A296 G301 T306I33-H299 VanDerWaalsContact CD1-O 3.25Å; I33-H299 WeakPolarHBondContact CD1-O 3.45Å; D255-H299 WeakPolarHBondContact OD1-CB 3.33Å; Y258-H299 HydrophobicContact CD2-CB 3.85Å; Y258-H299 AromaticContact CD2-CG 3.69Å; Y258-H299 AromaticContact CD2-ND1 3.79Å; Y258-H299 HydrophobicContact CE2-CB 3.77Å; Y258-H299 AromaticContact CE2-CD2 3.89Å; Y258-H299 AromaticContact CE2-CG 3.73Å; R295-H299 PolarHBondContact O-CD2 3.14Å; A296-H299 PolarHBondContact O-NE2 2.69Å; H299-G301 VanDerWaalsContact ND1-CA 3.32Å; H299-G301 WeakPolarHBondContact ND1-CA 3.42Å; H299-G301 PolarHBondContact ND1-N 3.37Å; H299-G301 PolarHBondContact O-N 2.91Å; H299-T306 PolarHBondContact NE2-OG1 3.45Å
300G98.8Very high98.9Very high13 Ų1311.6 Ų11.613%0.1346%0.057CC..SBendtrans-76.217.7-175.800000115.6Q28 D255Q28-G300 WeakPolarHBondContact CA-O 3.35Å; D255-G300 PolarHBondContact OD1-N 3.41Å
301G98.8Very high98.9Very high4 Ų47.9 Ų7.94%0.0414%0.041CC..SBendtrans-104.7-160.1-177.500000111.6W266 G267 H299 S303W266-G301 PolarHBondContact NE1-O 2.99Å; W266-G301 VanDerWaalsContact NE1-O 3.13Å; G267-G301 CarbonylContact O-C 3.54Å; G267-G301 VanDerWaalsContact O-CA 3.28Å; G267-G301 WeakPolarHBondContact O-CA 3.33Å; H299-G301 VanDerWaalsContact ND1-CA 3.32Å; H299-G301 WeakPolarHBondContact ND1-CA 3.42Å; H299-G301 PolarHBondContact ND1-N 3.37Å; H299-G301 PolarHBondContact O-N 2.91Å; G301-S303 PolarHBondContact O-N 3.02Å; G301-S303 VanDerWaalsContact O-N 3.11Å
302D98.8Very high98.9Very high7 Ų75.1 Ų5.14%0.0373%0.028CC..SBendtrans-77.490.4169.2-173.8-18.3000107.8C129 W266 G267 S269 S305 T306C129-D302 PolarHBondContact SG-OD2 3.26Å; W266-D302 HydrophobicContact CD2-CB 4.08Å; W266-D302 HydrophobicContact CE3-CB 4.17Å; W266-D302 HydrophobicContact CH2-CB 4Å; W266-D302 HydrophobicContact CZ2-CB 3.93Å; W266-D302 HydrophobicContact CZ3-CB 4.13Å; G267-D302 PolarHBondContact O-N 2.95Å; S269-D302 VanDerWaalsContact CA-OD2 3.22Å; S269-D302 WeakPolarHBondContact CA-OD2 2.97Å; D302-S305 VanDerWaalsContact CG-OG 3.29Å; D302-S305 WeakPolarHBondContact OD1-CB 3.46Å; D302-S305 PolarHBondContact OD1-OG 2.99Å; D302-S305 PolarHBondContact OD2-OG 3.18Å; D302-T306 WeakPolarHBondContact O-CG2 3.24Å; D302-T306 PolarHBondContact O-OG1 3.45Å
303S98.8Very high98.9Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-98.3-29.8-158.147.10000113.7F297 G301 T306 A307F297-S303 WeakPolarHBondContact O-CB 3.24Å; G301-S303 PolarHBondContact O-N 3.02Å; G301-S303 VanDerWaalsContact O-N 3.11Å; S303-T306 WeakPolarHBondContact CA-OG1 3.39Å; S303-T306 PolarHBondContact O-OG1 2.99Å; S303-A307 WeakPolarHBondContact O-CB 3.32Å; S303-A307 PolarHBondContact O-N 2.98Å
304D98.8Very high98.9Very high0 Ų05.1 Ų5.10%03%0.028CC..Hα-helixtrans-67.7-41.6166.853.2-24.3000111.6Y19 E25 S54 T306 A307 A308Y19-D304 VanDerWaalsContact CD2-OD2 3.32Å; Y19-D304 WeakPolarHBondContact CD2-OD2 3.45Å; E25-D304 WeakPolarHBondContact CG-OD1 3.32Å; S54-D304 WeakPolarHBondContact CB-OD2 3.39Å; S54-D304 PolarHBondContact OG-OD2 3.06Å; D304-T306 PolarHBondContact O-N 3.02Å; D304-A307 CarbonylContact O-C 3.56Å; D304-A307 WeakPolarHBondContact O-CB 3.16Å; D304-A307 PolarHBondContact O-N 3.37Å; D304-A308 WeakPolarHBondContact O-CB 3.38Å; D304-A308 PolarHBondContact O-N 3.45Å
305S98.9Very high98.9Very high4 Ų42.9 Ų2.93%0.0282%0.018CC..Hα-helixtrans-62.9-45.5178.1-60.10000113.8D56 D302 A307 A308 I309D56-S305 WeakPolarHBondContact OD1-CA 3.5Å; D56-S305 PolarHBondContact OD1-OG 2.8Å; D302-S305 VanDerWaalsContact CG-OG 3.29Å; D302-S305 WeakPolarHBondContact OD1-CB 3.46Å; D302-S305 PolarHBondContact OD1-OG 2.99Å; D302-S305 PolarHBondContact OD2-OG 3.18Å; S305-A307 VanDerWaalsContact C-N 3.32Å; S305-A308 PolarHBondContact O-N 3.49Å; S305-I309 WeakPolarHBondContact O-CG1 3.4Å; S305-I309 PolarHBondContact O-N 3.33Å
306T98.9Very high98.9Very high0 Ų01.6 Ų1.60%01%0.013CC..Hα-helixtrans-67.5-35.8175.848.60000111.2A274 I277 A296 H299 D302 S303 D304 A310A274-T306 HydrophobicContact CB-CG2 4.42Å; I277-T306 HydrophobicContact CB-CG2 3.8Å; I277-T306 HydrophobicContact CD1-CG2 4.3Å; I277-T306 HydrophobicContact CG2-CG2 3.81Å; A296-T306 PolarHBondContact O-OG1 2.92Å; H299-T306 PolarHBondContact NE2-OG1 3.45Å; D302-T306 WeakPolarHBondContact O-CG2 3.24Å; D302-T306 PolarHBondContact O-OG1 3.45Å; S303-T306 WeakPolarHBondContact CA-OG1 3.39Å; S303-T306 PolarHBondContact O-OG1 2.99Å; D304-T306 PolarHBondContact O-N 3.02Å; T306-A310 WeakPolarHBondContact O-CB 3.42Å; T306-A310 PolarHBondContact O-N 3.36Å
307A98.9Very high98.9Very high0 Ų03 Ų30%02%0.02CC..Hα-helixtrans-66.2-41.6174.600000113.7G14 A296 F297 S303 D304 S305 I309 A310 G311G14-A307 WeakPolarHBondContact O-CB 3.46Å; A296-A307 PolarHBondContact O-N 3.46Å; F297-A307 HydrophobicContact CB-CB 3.92Å; F297-A307 VanDerWaalsContact CD1-CA 3.47Å; F297-A307 HydrophobicContact CD1-CB 3.18Å; F297-A307 HydrophobicContact CE1-CB 3.87Å; F297-A307 HydrophobicContact CG-CB 3.63Å; S303-A307 WeakPolarHBondContact O-CB 3.32Å; S303-A307 PolarHBondContact O-N 2.98Å; D304-A307 CarbonylContact O-C 3.56Å; D304-A307 WeakPolarHBondContact O-CB 3.16Å; D304-A307 PolarHBondContact O-N 3.37Å; S305-A307 VanDerWaalsContact C-N 3.32Å; A307-I309 VanDerWaalsContact C-N 3.31Å; A307-I309 PolarHBondContact O-N 3.35Å; A307-A310 PolarHBondContact O-N 2.88Å; A307-G311 PolarHBondContact O-N 2.88Å
308A98.9Very high98.9Very high1 Ų16.3 Ų6.31%0.0083%0.033CC..Hα-helixtrans-56.7-48.3177.700000110.6S11 D15 D56 D304 S305 C312S11-A308 WeakPolarHBondContact CA-O 3.44Å; S11-A308 WeakPolarHBondContact CB-O 3.34Å; S11-A308 PolarHBondContact OG-O 2.74Å; D15-A308 HydrophobicContact CB-CB 4.19Å; D56-A308 HydrophobicContact CB-CB 3.97Å; D304-A308 WeakPolarHBondContact O-CB 3.38Å; D304-A308 PolarHBondContact O-N 3.45Å; S305-A308 PolarHBondContact O-N 3.49Å; A308-C312 PolarHBondContact O-N 3.44Å
309I99Very high98.9Very high0 Ų06.3 Ų6.30%03%0.033CC..Hα-helixtrans-67.5-50.6179.3-60168.4000110.8A132 M136 A274 P275 A278 S305 A307 G311 C312 W313A132-I309 HydrophobicContact CB-CD1 4.06Å; M136-I309 HydrophobicContact CE-CG1 4.47Å; M136-I309 HydrophobicContact CG-CG2 4.5Å; M136-I309 HydrophobicContact SD-CB 4.5Å; M136-I309 HydrophobicContact SD-CG1 3.94Å; A274-I309 HydrophobicContact CB-CD1 3.83Å; P275-I309 HydrophobicContact CB-CD1 4.46Å; A278-I309 HydrophobicContact CB-CB 3.95Å; A278-I309 HydrophobicContact CB-CG2 3.8Å; S305-I309 WeakPolarHBondContact O-CG1 3.4Å; S305-I309 PolarHBondContact O-N 3.33Å; A307-I309 VanDerWaalsContact C-N 3.31Å; A307-I309 PolarHBondContact O-N 3.35Å; I309-G311 PolarHBondContact O-N 3.38Å; I309-C312 WeakPolarHBondContact O-CB 3.32Å; I309-C312 PolarHBondContact O-N 3.05Å; I309-W313 HydrophobicContact CG2-CD2 3.88Å; I309-W313 VanDerWaalsContact CG2-CE2 3.45Å; I309-W313 HydrophobicContact CG2-CE3 4.03Å; I309-W313 HydrophobicContact CG2-CH2 3.45Å; I309-W313 VanDerWaalsContact CG2-CH2 3.45Å; I309-W313 HydrophobicContact CG2-CZ2 3.27Å; I309-W313 HydrophobicContact CG2-CZ3 3.81Å; I309-W313 PolarHBondContact O-N 3.4Å
310A98.9Very high98.9Very high0 Ų08 Ų80%04%0.04CC..Hα-helixtrans-62-44.8-177.300000112.4A278 L292 A296 F297 T306 A307 C312 W313 W314A278-A310 HydrophobicContact CB-CB 3.77Å; L292-A310 HydrophobicContact CD1-CB 4.23Å; L292-A310 HydrophobicContact CG-CB 4.43Å; A296-A310 HydrophobicContact CB-CB 3.63Å; F297-A310 HydrophobicContact CE1-CB 4.18Å; T306-A310 WeakPolarHBondContact O-CB 3.42Å; T306-A310 PolarHBondContact O-N 3.36Å; A307-A310 PolarHBondContact O-N 2.88Å; A310-C312 VanDerWaalsContact C-N 3.31Å; A310-C312 PolarHBondContact O-N 3.21Å; A310-W313 PolarHBondContact O-N 2.95Å; A310-W314 VanDerWaalsContact O-CB 3.3Å; A310-W314 WeakPolarHBondContact O-CB 3.49Å; A310-W314 PolarHBondContact O-N 3.23Å
311G98.9Very high98.9Very high0 Ų013.5 Ų13.50%06%0.061CC..Hα-helixtrans-61.8-38.6178.100000112.2A307 I309 G315A307-G311 PolarHBondContact O-N 2.88Å; I309-G311 PolarHBondContact O-N 3.38Å; G311-G315 PolarHBondContact O-N 3.27Å
312C99Very high98.8Very high0 Ų016.4 Ų16.40%09%0.091CC..Hα-helixtrans-61.4-54.2174.7-169.60000111.5A7 M136 A308 I309 A310 W314 G315 V316A7-C312 WeakPolarHBondContact O-CA 3.36Å; M136-C312 HydrophobicContact CB-CB 4.05Å; M136-C312 WeakPolarHBondContact CB-SG 3.22Å; M136-C312 HydrophobicContact CE-CB 3.97Å; M136-C312 HydrophobicContact CG-CB 3.95Å; A308-C312 PolarHBondContact O-N 3.44Å; I309-C312 WeakPolarHBondContact O-CB 3.32Å; I309-C312 PolarHBondContact O-N 3.05Å; A310-C312 VanDerWaalsContact C-N 3.31Å; A310-C312 PolarHBondContact O-N 3.21Å; C312-W314 VanDerWaalsContact C-N 3.34Å; C312-W314 PolarHBondContact O-N 3.49Å; C312-G315 PolarHBondContact O-N 3.35Å; C312-V316 WeakPolarHBondContact O-CG2 3.25Å; C312-V316 PolarHBondContact O-N 3.48Å; C312-V316 VanDerWaalsContact O-N 3.13Å
313W98.9Very high98.8Very high0 Ų016.6 Ų16.60%09%0.092CC..Hα-helixtrans-62-43.5-177.7-62.5-21.1000112S175 F178 T179 W191 P275 A278 V282 I309 A310 V316 M317S175-W313 PolarHBondContact O-NE1 3.14Å; F178-W313 HydrophobicContact CB-CD2 4.19Å; F178-W313 HydrophobicContact CB-CH2 4.23Å; F178-W313 HydrophobicContact CB-CZ2 3.56Å; F178-W313 AromaticContact CD2-CH2 3.49Å; F178-W313 HydrophobicContact CD2-CH2 3.49Å; F178-W313 VanDerWaalsContact CD2-CH2 3.49Å; F178-W313 AromaticContact CD2-CZ2 3.68Å; F178-W313 HydrophobicContact CD2-CZ2 3.68Å; F178-W313 AromaticContact CD2-CZ3 4Å; F178-W313 HydrophobicContact CD2-CZ3 4Å; F178-W313 HydrophobicContact CE2-CH2 4.29Å; F178-W313 HydrophobicContact CG-CH2 4.28Å; F178-W313 HydrophobicContact CG-CZ2 4.01Å; T179-W313 PolarHBondContact OG1-NE1 3.23Å; T179-W313 VanDerWaalsContact OG1-NE1 3.14Å; W191-W313 HydrophobicContact CH2-CB 4.39Å; W191-W313 HydrophobicContact CZ3-CB 4.32Å; W191-W313 HydrophobicContact CZ3-CD2 4.34Å; W191-W313 HydrophobicContact CZ3-CE3 4.27Å; W191-W313 HydrophobicContact CZ3-CG 4.42Å; P275-W313 HydrophobicContact CB-CH2 3.78Å; P275-W313 HydrophobicContact CB-CZ2 4.27Å; P275-W313 VanDerWaalsContact O-CH2 3.3Å; P275-W313 WeakPolarHBondContact O-CH2 3.35Å; P275-W313 WeakPolarHBondContact O-CZ3 3.01Å; A278-W313 HydrophobicContact CB-CE3 4.14Å; A278-W313 HydrophobicContact CB-CH2 4.24Å; A278-W313 HydrophobicContact CB-CZ3 3.6Å; V282-W313 HydrophobicContact CG2-CB 4.43Å; V282-W313 HydrophobicContact CG2-CE3 4.2Å; I309-W313 HydrophobicContact CG2-CD2 3.88Å; I309-W313 VanDerWaalsContact CG2-CE2 3.45Å; I309-W313 HydrophobicContact CG2-CE3 4.03Å; I309-W313 HydrophobicContact CG2-CH2 3.45Å; I309-W313 VanDerWaalsContact CG2-CH2 3.45Å; I309-W313 HydrophobicContact CG2-CZ2 3.27Å; I309-W313 HydrophobicContact CG2-CZ3 3.81Å; I309-W313 PolarHBondContact O-N 3.4Å; A310-W313 PolarHBondContact O-N 2.95Å; W313-V316 PolarHBondContact O-N 3.34Å; W313-M317 PolarHBondContact O-N 3.03Å
314W98.9Very high98.8Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-65.3-42.2178.7-16997.1000111.9L10 G286 D287 W289 L292 A310 C312 V316 M317 Y318 G319 K321 V323L10-W314 HydrophobicContact CD1-CE3 3.93Å; L10-W314 HydrophobicContact CD1-CZ3 3.82Å; G286-W314 PolarHBondContact O-NE1 3.29Å; D287-W314 WeakPolarHBondContact O-CZ2 3.38Å; W289-W314 HydrophobicContact CB-CH2 3.85Å; W289-W314 HydrophobicContact CB-CZ2 3.92Å; W289-W314 HydrophobicContact CB-CZ3 4.37Å; W289-W314 HydrophobicContact CE3-CD2 4.02Å; W289-W314 AromaticContact CE3-CE3 3.66Å; W289-W314 HydrophobicContact CE3-CE3 3.66Å; W289-W314 AromaticContact CE3-CZ3 3.94Å; W289-W314 HydrophobicContact CE3-CZ3 3.94Å; W289-W314 HydrophobicContact CZ3-CE3 4.15Å; L292-W314 HydrophobicContact CD1-CB 4.47Å; L292-W314 HydrophobicContact CD2-CB 3.42Å; L292-W314 VanDerWaalsContact CD2-CB 3.42Å; L292-W314 HydrophobicContact CD2-CD2 4.21Å; L292-W314 HydrophobicContact CD2-CG 3.5Å; A310-W314 VanDerWaalsContact O-CB 3.3Å; A310-W314 WeakPolarHBondContact O-CB 3.49Å; A310-W314 PolarHBondContact O-N 3.23Å; C312-W314 VanDerWaalsContact C-N 3.34Å; C312-W314 PolarHBondContact O-N 3.49Å; W314-V316 VanDerWaalsContact C-N 3.3Å; W314-V316 PolarHBondContact O-N 3.11Å; W314-M317 PolarHBondContact O-N 3.14Å; W314-Y318 AromaticContact CD1-CD2 3.42Å; W314-Y318 VanDerWaalsContact CD1-CD2 3.42Å; W314-Y318 AromaticContact CD1-CE2 3.6Å; W314-Y318 AromaticContact CD2-CD2 3.61Å; W314-Y318 HydrophobicContact CD2-CD2 3.61Å; W314-Y318 HydrophobicContact CD2-CG 4.28Å; W314-Y318 AromaticContact CE2-CD2 3.32Å; W314-Y318 AromaticContact CE2-CG 3.85Å; W314-Y318 HydrophobicContact CE3-CD2 4.41Å; W314-Y318 AromaticContact CG-CD2 3.67Å; W314-Y318 HydrophobicContact CG-CD2 3.67Å; W314-Y318 HydrophobicContact CG-CE2 4.23Å; W314-Y318 HydrophobicContact CH2-CG 4.46Å; W314-Y318 AromaticContact CZ2-CD2 3.91Å; W314-Y318 HydrophobicContact CZ2-CD2 3.91Å; W314-Y318 AromaticContact CZ2-CG 3.95Å; W314-Y318 HydrophobicContact CZ2-CG 3.95Å; W314-Y318 AromaticContact NE1-CD2 3.2Å; W314-Y318 AromaticContact NE1-CE2 3.5Å; W314-Y318 WeakPolarHBondContact O-CD2 3.49Å; W314-Y318 PolarHBondContact O-N 3.48Å; W314-G319 WeakPolarHBondContact CZ3-O 3.43Å; W314-K321 WeakPolarHBondContact CH2-O 3.29Å; W314-V323 HydrophobicContact CH2-CG2 3.95Å; W314-V323 HydrophobicContact CZ3-CG2 3.69Å
315G98.9Very high98.8Very high0 Ų020.5 Ų20.50%012%0.118CC..Hα-helixtrans-59.7-3817600000113.2A6 G311 C312 M317 G319A6-G315 WeakPolarHBondContact CB-O 3.44Å; G311-G315 PolarHBondContact O-N 3.27Å; C312-G315 PolarHBondContact O-N 3.35Å; G315-M317 VanDerWaalsContact C-N 3.34Å; G315-M317 PolarHBondContact O-N 2.83Å; G315-G319 WeakPolarHBondContact O-CA 3.28Å; G315-G319 PolarHBondContact O-N 2.85Å
316V98.9Very high98.8Very high4 Ų421.5 Ų21.52%0.02413%0.125CC..Hα-helixtrans-60.3-45.2171.8177.30000111.1K3 A7 L140 T179 A182 V183 C312 W313 W314K3-V316 WeakPolarHBondContact CB-O 3.42Å; K3-V316 VanDerWaalsContact CD-O 3.23Å; K3-V316 WeakPolarHBondContact CD-O 3.48Å; K3-V316 VanDerWaalsContact CG-O 3.3Å; K3-V316 WeakPolarHBondContact CG-O 3.09Å; K3-V316 PolarHBondContact NZ-O 3.43Å; A7-V316 HydrophobicContact CB-CG2 3.45Å; A7-V316 VanDerWaalsContact CB-CG2 3.45Å; L140-V316 HydrophobicContact CD2-CG2 3.77Å; T179-V316 HydrophobicContact CG2-CG2 4.18Å; A182-V316 VanDerWaalsContact C-CG1 3.41Å; A182-V316 HydrophobicContact CB-CB 3.89Å; A182-V316 HydrophobicContact CB-CG1 3.61Å; V183-V316 HydrophobicContact CB-CG1 4.34Å; V183-V316 HydrophobicContact CG2-CG1 3.75Å; C312-V316 WeakPolarHBondContact O-CG2 3.25Å; C312-V316 PolarHBondContact O-N 3.48Å; C312-V316 VanDerWaalsContact O-N 3.13Å; W313-V316 PolarHBondContact O-N 3.34Å; W314-V316 VanDerWaalsContact C-N 3.3Å; W314-V316 PolarHBondContact O-N 3.11Å
317M98.9Very high98.8Very high30 Ų3021.5 Ų21.515%0.14813%0.125CC..Hα-helixtrans-74.3-34.1-175.6-68.5-174.3-67.900113.7K3 A182 P188 W191 V282 W313 W314 G315K3-M317 PolarHBondContact NZ-O 3.35Å; A182-M317 HydrophobicContact CB-CG 3.93Å; P188-M317 HydrophobicContact CG-SD 3.79Å; W191-M317 HydrophobicContact CH2-CE 3.85Å; W191-M317 HydrophobicContact CH2-SD 3.63Å; W191-M317 HydrophobicContact CZ2-SD 3.76Å; V282-M317 HydrophobicContact CG1-CE 3.68Å; V282-M317 HydrophobicContact CG2-CE 4.34Å; W313-M317 PolarHBondContact O-N 3.03Å; W314-M317 PolarHBondContact O-N 3.14Å; G315-M317 VanDerWaalsContact C-N 3.34Å; G315-M317 PolarHBondContact O-N 2.83Å
318Y98.9Very high98.8Very high69 Ų6922.9 Ų22.927%0.27113%0.131SC..Hα-helixtrans-126.9-4.4-165.7-57.8-68.4000115.2G286 D287 W314 K321G286-Y318 WeakPolarHBondContact O-CE2 3.25Å; G286-Y318 PolarHBondContact O-OH 3.11Å; D287-Y318 HydrophobicContact CB-CD1 3.64Å; D287-Y318 HydrophobicContact CB-CE1 3.49Å; D287-Y318 VanDerWaalsContact CB-CE1 3.49Å; D287-Y318 HydrophobicContact CB-CG 4.33Å; W314-Y318 AromaticContact CD1-CD2 3.42Å; W314-Y318 VanDerWaalsContact CD1-CD2 3.42Å; W314-Y318 AromaticContact CD1-CE2 3.6Å; W314-Y318 AromaticContact CD2-CD2 3.61Å; W314-Y318 HydrophobicContact CD2-CD2 3.61Å; W314-Y318 HydrophobicContact CD2-CG 4.28Å; W314-Y318 AromaticContact CE2-CD2 3.32Å; W314-Y318 AromaticContact CE2-CG 3.85Å; W314-Y318 HydrophobicContact CE3-CD2 4.41Å; W314-Y318 AromaticContact CG-CD2 3.67Å; W314-Y318 HydrophobicContact CG-CD2 3.67Å; W314-Y318 HydrophobicContact CG-CE2 4.23Å; W314-Y318 HydrophobicContact CH2-CG 4.46Å; W314-Y318 AromaticContact CZ2-CD2 3.91Å; W314-Y318 HydrophobicContact CZ2-CD2 3.91Å; W314-Y318 AromaticContact CZ2-CG 3.95Å; W314-Y318 HydrophobicContact CZ2-CG 3.95Å; W314-Y318 AromaticContact NE1-CD2 3.2Å; W314-Y318 AromaticContact NE1-CE2 3.5Å; W314-Y318 WeakPolarHBondContact O-CD2 3.49Å; W314-Y318 PolarHBondContact O-N 3.48Å; Y318-K321 WeakPolarHBondContact O-CB 3.47Å; Y318-K321 PolarHBondContact O-N 3.21Å
319G98.8Very high98.8Very high0 Ų027.7 Ų27.70%015%0.153CC..THydrogen-bonded Turntrans63.3-138.3-175.900000110.4L10 W314 G315L10-G319 VanDerWaalsContact CD1-O 3.3Å; L10-G319 WeakPolarHBondContact CD1-O 3.4Å; W314-G319 WeakPolarHBondContact CZ3-O 3.43Å; G315-G319 WeakPolarHBondContact O-CA 3.28Å; G315-G319 PolarHBondContact O-N 2.85Å
320F98.8Very high98.8Very high35 Ų3533.6 Ų33.615%0.15418%0.179CC..THydrogen-bonded Turntrans-98.412.4176-66.3-83000113.8E2 V5 A6 V9 L10 G322 V323 Y328E2-F320 HydrophobicContact CG-CD2 4.32Å; V5-F320 HydrophobicContact CG1-CE2 4.17Å; V5-F320 HydrophobicContact CG1-CZ 4.21Å; A6-F320 HydrophobicContact CB-CD2 3.97Å; A6-F320 HydrophobicContact CB-CE1 4.4Å; A6-F320 HydrophobicContact CB-CE2 3.72Å; A6-F320 HydrophobicContact CB-CG 4.42Å; A6-F320 HydrophobicContact CB-CZ 3.96Å; V9-F320 HydrophobicContact CB-CE1 4.19Å; V9-F320 HydrophobicContact CB-CZ 4Å; V9-F320 HydrophobicContact CG1-CE1 3.88Å; V9-F320 HydrophobicContact CG1-CZ 4.08Å; V9-F320 HydrophobicContact CG2-CZ 4.47Å; L10-F320 HydrophobicContact CD1-CD1 4.23Å; L10-F320 HydrophobicContact CD1-CE1 4.46Å; L10-F320 HydrophobicContact CD2-CD1 3.87Å; L10-F320 HydrophobicContact CD2-CE1 3.77Å; L10-F320 HydrophobicContact CG-CD1 4.16Å; L10-F320 HydrophobicContact CG-CE1 3.95Å; F320-G322 PolarHBondContact O-N 3.32Å; F320-G322 VanDerWaalsContact O-N 3.12Å; F320-V323 PolarHBondContact O-N 3.34Å; F320-V323 VanDerWaalsContact O-N 3.12Å; F320-Y328 HydrophobicContact CD1-CD1 4.12Å; F320-Y328 HydrophobicContact CD1-CD2 4.33Å; F320-Y328 AromaticContact CD1-CE1 3.73Å; F320-Y328 HydrophobicContact CD1-CE1 3.73Å; F320-Y328 AromaticContact CD1-CE2 3.97Å; F320-Y328 HydrophobicContact CD1-CE2 3.97Å; F320-Y328 HydrophobicContact CD1-CG 4.4Å; F320-Y328 AromaticContact CD1-CZ 3.65Å; F320-Y328 HydrophobicContact CE1-CD1 4.28Å; F320-Y328 AromaticContact CE1-CD2 3.91Å; F320-Y328 HydrophobicContact CE1-CD2 3.91Å; F320-Y328 HydrophobicContact CE1-CE1 4.25Å; F320-Y328 AromaticContact CE1-CE2 3.88Å; F320-Y328 HydrophobicContact CE1-CE2 3.88Å; F320-Y328 HydrophobicContact CE1-CG 4.12Å
321K98.4Very high98.8Very high129 Ų12934 Ų3456%0.56118%0.18SC*.THydrogen-bonded Turntrans-61115.6-173.1-176.8-163.8172.5-161.30111.4D287 W314 Y318 V323D287-K321 IonicContact OD2-NZ 3.85Å; D287-K321 PolarHBondContact OD2-NZ 3.41Å; W314-K321 WeakPolarHBondContact CH2-O 3.29Å; Y318-K321 WeakPolarHBondContact O-CB 3.47Å; Y318-K321 PolarHBondContact O-N 3.21Å; K321-V323 VanDerWaalsContact C-N 3.3Å
322G97.8Very high98.8Very high66 Ų6636.8 Ų36.868%0.6819%0.193SC*.THydrogen-bonded Turntrans79.210.6177.600000114.4F320F320-G322 PolarHBondContact O-N 3.32Å; F320-G322 VanDerWaalsContact O-N 3.12Å
323V98.9Very high98.8Very high11 Ų1139.6 Ų39.67%0.06720%0.204CC..  trans-88.7127.1171.4-174.30000109L10 W289 W314 F320 K321 N327 Y328L10-V323 HydrophobicContact CD1-CG2 3.99Å; L10-V323 HydrophobicContact CD2-CG1 3.96Å; L10-V323 HydrophobicContact CD2-CG2 4.34Å; W289-V323 HydrophobicContact CB-CG2 4.1Å; W289-V323 HydrophobicContact CD2-CG1 4.46Å; W289-V323 HydrophobicContact CD2-CG2 3.98Å; W289-V323 HydrophobicContact CE3-CG2 4.41Å; W289-V323 HydrophobicContact CG-CB 4.44Å; W289-V323 HydrophobicContact CG-CG1 4.44Å; W289-V323 HydrophobicContact CG-CG2 3.82Å; W314-V323 HydrophobicContact CH2-CG2 3.95Å; W314-V323 HydrophobicContact CZ3-CG2 3.69Å; F320-V323 PolarHBondContact O-N 3.34Å; F320-V323 VanDerWaalsContact O-N 3.12Å; K321-V323 VanDerWaalsContact C-N 3.3Å; V323-N327 HydrophobicContact CG1-CB 4.25Å; V323-Y328 HydrophobicContact CB-CE1 4.23Å; V323-Y328 HydrophobicContact CG1-CD1 3.7Å; V323-Y328 HydrophobicContact CG1-CE1 3.79Å
324S98.8Very high98.8Very high25 Ų2542.7 Ų42.718%0.17522%0.216CC..  trans-63.6130.9174.4-174.90000109.9D44 S326 N327D44-S324 PolarHBondContact O-OG 2.93Å; S324-S326 PolarHBondContact O-N 3.05Å; S324-S326 PolarHBondContact OG-OG 3.47Å; S324-N327 VanDerWaalsContact O-CB 3.29Å; S324-N327 WeakPolarHBondContact O-CB 3.47Å; S324-N327 PolarHBondContact O-N 2.85Å
325P98.8Very high98.8Very high57 Ų5748.4 Ų48.437%0.3725%0.247SC..G310 helixtrans-56.6-35.2-178.1-2533.3000113.4N327 Y328 E329P325-N327 PolarHBondContact O-N 2.85Å; P325-N327 VanDerWaalsContact O-N 3.09Å; P325-Y328 PolarHBondContact O-N 3.37Å; P325-E329 VanDerWaalsContact CB-CD 3.41Å; P325-E329 HydrophobicContact CB-CG 3.82Å; P325-E329 WeakPolarHBondContact CB-OE1 3.49Å; P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.47Å; P325-E329 VanDerWaalsContact O-CG 3.3Å; P325-E329 WeakPolarHBondContact O-CG 3.35Å; P325-E329 PolarHBondContact O-N 3.29Å
326S98.6Very high98.7Very high24 Ų2452.9 Ų52.917%0.16826%0.264CS..G310 helixtrans-61.9-20.1178.162.40000113.4D44 L46 D47 V48 S324 Y328D44-S326 PolarHBondContact O-OG 3.43Å; L46-S326 CarbonylContact O-C 3.21Å; L46-S326 VanDerWaalsContact O-C 3.31Å; L46-S326 VanDerWaalsContact O-CB 3.24Å; L46-S326 WeakPolarHBondContact O-CB 3.28Å; L46-S326 PolarHBondContact O-OG 3.49Å; D47-S326 WeakPolarHBondContact CA-O 3.42Å; V48-S326 PolarHBondContact N-O 3.14Å; V48-S326 VanDerWaalsContact N-O 3.08Å; S324-S326 PolarHBondContact O-N 3.05Å; S324-S326 PolarHBondContact OG-OG 3.47Å; S326-Y328 PolarHBondContact O-N 2.85Å
327N98.9Very high98.8Very high0 Ų052.7 Ų52.70%026%0.262CS..G310 helixtrans-72.1-14175.8-61.2156000113.5A13 L43 L46 V48 W289 V323 S324 P325A13-N327 WeakPolarHBondContact CB-O 3.37Å; L43-N327 PolarHBondContact O-ND2 3.42Å; L46-N327 PolarHBondContact O-ND2 2.91Å; L46-N327 VanDerWaalsContact O-ND2 3.09Å; V48-N327 WeakPolarHBondContact CG1-O 3.33Å; V48-N327 VanDerWaalsContact CG2-O 3.23Å; V48-N327 WeakPolarHBondContact CG2-O 3.46Å; W289-N327 PolarHBondContact NE1-OD1 2.84Å; V323-N327 HydrophobicContact CG1-CB 4.25Å; S324-N327 VanDerWaalsContact O-CB 3.29Å; S324-N327 WeakPolarHBondContact O-CB 3.47Å; S324-N327 PolarHBondContact O-N 2.85Å; P325-N327 PolarHBondContact O-N 2.85Å; P325-N327 VanDerWaalsContact O-N 3.09Å
328Y98.8Very high98.8Very high30 Ų3052.9 Ų52.912%0.11826%0.263CS..THydrogen-bonded Turntrans-145.7-16.2-178.865.1-90.5000115.4V9 L10 F320 V323 P325 S326 K330 L331 R334V9-Y328 HydrophobicContact CG1-CD2 4.13Å; V9-Y328 HydrophobicContact CG1-CG 4.19Å; L10-Y328 HydrophobicContact CD2-CD1 4.34Å; F320-Y328 HydrophobicContact CD1-CD1 4.12Å; F320-Y328 HydrophobicContact CD1-CD2 4.33Å; F320-Y328 AromaticContact CD1-CE1 3.73Å; F320-Y328 HydrophobicContact CD1-CE1 3.73Å; F320-Y328 AromaticContact CD1-CE2 3.97Å; F320-Y328 HydrophobicContact CD1-CE2 3.97Å; F320-Y328 HydrophobicContact CD1-CG 4.4Å; F320-Y328 AromaticContact CD1-CZ 3.65Å; F320-Y328 HydrophobicContact CE1-CD1 4.28Å; F320-Y328 AromaticContact CE1-CD2 3.91Å; F320-Y328 HydrophobicContact CE1-CD2 3.91Å; F320-Y328 HydrophobicContact CE1-CE1 4.25Å; F320-Y328 AromaticContact CE1-CE2 3.88Å; F320-Y328 HydrophobicContact CE1-CE2 3.88Å; F320-Y328 HydrophobicContact CE1-CG 4.12Å; V323-Y328 HydrophobicContact CB-CE1 4.23Å; V323-Y328 HydrophobicContact CG1-CD1 3.7Å; V323-Y328 HydrophobicContact CG1-CE1 3.79Å; P325-Y328 PolarHBondContact O-N 3.37Å; S326-Y328 PolarHBondContact O-N 2.85Å; Y328-K330 VanDerWaalsContact C-N 3.28Å; Y328-K330 PolarHBondContact O-N 3.38Å; Y328-L331 WeakPolarHBondContact O-CB 3.37Å; Y328-L331 PolarHBondContact O-N 2.89Å; Y328-L331 VanDerWaalsContact O-N 3.08Å; Y328-R334 WeakPolarHBondContact O-CD 3.41Å
329E98.6Very high98.8Very high102 Ų10256 Ų5648%0.47728%0.28SS..THydrogen-bonded Turntrans-61.1-36-168.5-88.6-174.1163.300114.1P325 R334P325-E329 VanDerWaalsContact CB-CD 3.41Å; P325-E329 HydrophobicContact CB-CG 3.82Å; P325-E329 WeakPolarHBondContact CB-OE1 3.49Å; P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.47Å; P325-E329 VanDerWaalsContact O-CG 3.3Å; P325-E329 WeakPolarHBondContact O-CG 3.35Å; P325-E329 PolarHBondContact O-N 3.29Å; E329-R334 VanDerWaalsContact CA-NH1 3.29Å; E329-R334 VanDerWaalsContact O-CD 3.29Å; E329-R334 WeakPolarHBondContact O-CD 3.46Å; E329-R334 PolarHBondContact O-NH1 3.03Å
330K98.8Very high98.8Very high124 Ų12456.7 Ų56.754%0.53928%0.284SS..THydrogen-bonded Turntrans-110.319.2178.7-65.6179.5-71.4170.90112.5D47 Y328D47-K330 VanDerWaalsContact CG-CE 3.49Å; D47-K330 WeakPolarHBondContact OD1-CE 3.44Å; D47-K330 IonicContact OD1-NZ 3.43Å; D47-K330 PolarHBondContact OD1-NZ 2.93Å; D47-K330 WeakPolarHBondContact OD2-CE 3.24Å; D47-K330 IonicContact OD2-NZ 3.81Å; D47-K330 PolarHBondContact OD2-NZ 3.05Å; Y328-K330 VanDerWaalsContact C-N 3.28Å; Y328-K330 PolarHBondContact O-N 3.38Å
331L98.9Very high98.8Very high7 Ų755 Ų554%0.03728%0.277CS..  trans-58.9140.5179.5-176.767.4000110.6V9 A12 A13 V48 V53 Y328 R334 L337V9-L331 HydrophobicContact CG1-CD2 4.37Å; V9-L331 WeakPolarHBondContact O-CD2 3.49Å; A12-L331 HydrophobicContact CB-CD2 3.73Å; A13-L331 HydrophobicContact CB-CD2 4.19Å; V48-L331 HydrophobicContact CB-CD1 4.29Å; V48-L331 HydrophobicContact CG2-CB 3.91Å; V48-L331 HydrophobicContact CG2-CD1 3.98Å; V53-L331 HydrophobicContact CG1-CD1 3.98Å; Y328-L331 WeakPolarHBondContact O-CB 3.37Å; Y328-L331 PolarHBondContact O-N 2.89Å; Y328-L331 VanDerWaalsContact O-N 3.08Å; L331-R334 HydrophobicContact CB-CB 4.41Å; L331-R334 WeakPolarHBondContact O-CB 3.48Å; L331-R334 PolarHBondContact O-N 3.14Å; L331-L337 HydrophobicContact CD2-CD1 4.18Å
332E98.8Very high98.8Very high59 Ų5953.2 Ų53.228%0.27627%0.267SS..THydrogen-bonded Turntrans-54.2139.7170.7-170.1175.9-162.800110.5R52 V53 R97 R334R52-E332 WeakPolarHBondContact CA-OE2 3.5Å; R52-E332 WeakPolarHBondContact CB-OE2 3.25Å; V53-E332 HydrophobicContact CG1-CB 4.45Å; V53-E332 HydrophobicContact CG2-CB 4.5Å; V53-E332 HydrophobicContact CG2-CG 4.5Å; V53-E332 PolarHBondContact N-OE2 2.97Å; V53-E332 VanDerWaalsContact N-OE2 3.08Å; R97-E332 IonicContact CZ-OE1 2.73Å; R97-E332 IonicContact CZ-OE2 2.85Å; R97-E332 VanDerWaalsContact NH1-CD 3.33Å; R97-E332 IonicContact NH1-OE1 2.74Å; R97-E332 PolarHBondContact NH1-OE1 3.41Å; R97-E332 IonicContact NH1-OE2 3.72Å; R97-E332 PolarHBondContact NH1-OE2 3.44Å; R97-E332 IonicContact NH2-OE1 3.16Å; R97-E332 PolarHBondContact NH2-OE1 3.44Å; R97-E332 IonicContact NH2-OE2 3.38Å; E332-R334 PolarHBondContact O-N 3.36Å
333Y98.9Very high98.8Very high59 Ų5951.6 Ų51.623%0.23125%0.246CC..THydrogen-bonded Turntrans59.39.6-177.1-53.3-43.6000117.5V53 V58 L61 D93 R97 N335 R336 L337V53-Y333 HydrophobicContact CG2-CD2 3.97Å; V53-Y333 HydrophobicContact CG2-CE2 4.1Å; V58-Y333 HydrophobicContact CG2-CE2 4.37Å; L61-Y333 HydrophobicContact CD1-CD2 4.07Å; L61-Y333 HydrophobicContact CD1-CG 4.18Å; D93-Y333 PolarHBondContact OD1-OH 3.07Å; D93-Y333 VanDerWaalsContact OD2-CZ 3.29Å; D93-Y333 PolarHBondContact OD2-OH 3Å; R97-Y333 PolarHBondContact NH2-OH 3.37Å; R97-Y333 VanDerWaalsContact NH2-OH 3.08Å; Y333-N335 VanDerWaalsContact C-N 3.32Å; Y333-N335 PolarHBondContact O-N 2.79Å; Y333-N335 VanDerWaalsContact O-N 3.12Å; Y333-R336 WeakPolarHBondContact O-CA 3.43Å; Y333-R336 WeakPolarHBondContact O-CB 3.44Å; Y333-R336 PolarHBondContact O-N 3.25Å; Y333-L337 PolarHBondContact O-N 2.82Å
334R98.9Very high98.8Very high65 Ų6551 Ų5125%0.24524%0.243CC..Hα-helixtrans-45.2-52.3-178-175.6-171.8170.6-176.52.7113.6Y328 E329 L331 E332 R336 L337 E338Y328-R334 WeakPolarHBondContact O-CD 3.41Å; E329-R334 VanDerWaalsContact CA-NH1 3.29Å; E329-R334 VanDerWaalsContact O-CD 3.29Å; E329-R334 WeakPolarHBondContact O-CD 3.46Å; E329-R334 PolarHBondContact O-NH1 3.03Å; L331-R334 HydrophobicContact CB-CB 4.41Å; L331-R334 WeakPolarHBondContact O-CB 3.48Å; L331-R334 PolarHBondContact O-N 3.14Å; E332-R334 PolarHBondContact O-N 3.36Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 3.17Å; R334-L337 WeakPolarHBondContact O-CB 3.31Å; R334-L337 PolarHBondContact O-N 2.93Å; R334-E338 HydrophobicContact CG-CG 4.35Å; R334-E338 IonicContact CZ-OE1 3.63Å; R334-E338 IonicContact NE-OE1 3.36Å; R334-E338 PolarHBondContact NE-OE1 2.9Å; R334-E338 IonicContact NH2-OE1 3.58Å; R334-E338 PolarHBondContact NH2-OE1 3.23Å; R334-E338 VanDerWaalsContact NH2-OE1 3.15Å; R334-E338 WeakPolarHBondContact O-CG 3.28Å; R334-E338 PolarHBondContact O-N 3.5Å
335N98.8Very high98.8Very high120 Ų12054.1 Ų54.164%0.64225%0.252SS*.Hα-helixtrans-59.6-43.8-179.5-68.9-18.8000112.4Y333 E338 E339Y333-N335 VanDerWaalsContact C-N 3.32Å; Y333-N335 PolarHBondContact O-N 2.79Å; Y333-N335 VanDerWaalsContact O-N 3.12Å; N335-E338 PolarHBondContact O-N 2.96Å; N335-E339 WeakPolarHBondContact O-CB 3.46Å; N335-E339 WeakPolarHBondContact O-CG 3.17Å; N335-E339 PolarHBondContact O-N 3.45Å
336R98.9Very high98.8Very high94 Ų9454.8 Ų54.836%0.35526%0.258SS..Hα-helixtrans-65.1-40.4179-166.3174.7161.1-157.6-7111.1L61 E65 Y333 R334 T340L61-R336 HydrophobicContact CD2-CG 4.4Å; E65-R336 VanDerWaalsContact CD-NH2 3.31Å; E65-R336 IonicContact OE1-CZ 3.08Å; E65-R336 VanDerWaalsContact OE1-CZ 3.28Å; E65-R336 IonicContact OE1-NE 3.68Å; E65-R336 PolarHBondContact OE1-NE 3.34Å; E65-R336 IonicContact OE1-NH2 3.21Å; E65-R336 PolarHBondContact OE1-NH2 3.06Å; E65-R336 IonicContact OE2-CZ 3.92Å; E65-R336 IonicContact OE2-NE 2.86Å; E65-R336 IonicContact OE2-NH2 2.78Å; E65-R336 PolarHBondContact OE2-NH2 2.9Å; Y333-R336 WeakPolarHBondContact O-CA 3.43Å; Y333-R336 WeakPolarHBondContact O-CB 3.44Å; Y333-R336 PolarHBondContact O-N 3.25Å; R334-R336 VanDerWaalsContact C-N 3.34Å; R334-R336 PolarHBondContact O-N 3.17Å; R336-T340 WeakPolarHBondContact O-CB 3.38Å; R336-T340 PolarHBondContact O-N 3Å; R336-T340 PolarHBondContact O-OG1 3.48Å
337L98.9Very high98.8Very high0 Ų054.5 Ų54.50%025%0.254CS..Hα-helixtrans-61.8-46.4172.3-69.6160.9000111.9M8 V9 A12 T57 L61 L331 Y333 R334 A341M8-L337 HydrophobicContact CB-CB 4.33Å; M8-L337 HydrophobicContact CB-CD2 4.17Å; M8-L337 HydrophobicContact CE-CD2 4.24Å; V9-L337 HydrophobicContact CG2-CB 4.09Å; A12-L337 HydrophobicContact CB-CD1 3.5Å; A12-L337 VanDerWaalsContact CB-CD1 3.5Å; A12-L337 HydrophobicContact CB-CD2 4.24Å; T57-L337 HydrophobicContact CG2-CD2 4.25Å; L61-L337 HydrophobicContact CD1-CD2 3.94Å; L61-L337 HydrophobicContact CD1-CG 4.21Å; L61-L337 HydrophobicContact CD2-CD2 3.77Å; L61-L337 HydrophobicContact CD2-CG 4.29Å; L61-L337 HydrophobicContact CG-CD2 3.69Å; L61-L337 HydrophobicContact CG-CG 4.4Å; L331-L337 HydrophobicContact CD2-CD1 4.18Å; Y333-L337 PolarHBondContact O-N 2.82Å; R334-L337 WeakPolarHBondContact O-CB 3.31Å; R334-L337 PolarHBondContact O-N 2.93Å; L337-A341 VanDerWaalsContact O-CB 3.22Å; L337-A341 WeakPolarHBondContact O-CB 3.39Å; L337-A341 PolarHBondContact O-N 2.99Å
338E98.9Very high98.8Very high35 Ų3554.5 Ų54.516%0.16426%0.255CS..Hα-helixtrans-65-42.8178.9-65.9-160.2-165.800112.3V5 V9 R334 N335 A341 R342V5-E338 HydrophobicContact CG1-CB 4.22Å; V5-E338 HydrophobicContact CG1-CG 3.72Å; V9-E338 HydrophobicContact CG2-CG 3.89Å; R334-E338 HydrophobicContact CG-CG 4.35Å; R334-E338 IonicContact CZ-OE1 3.63Å; R334-E338 IonicContact NE-OE1 3.36Å; R334-E338 PolarHBondContact NE-OE1 2.9Å; R334-E338 IonicContact NH2-OE1 3.58Å; R334-E338 PolarHBondContact NH2-OE1 3.23Å; R334-E338 VanDerWaalsContact NH2-OE1 3.15Å; R334-E338 WeakPolarHBondContact O-CG 3.28Å; R334-E338 PolarHBondContact O-N 3.5Å; N335-E338 PolarHBondContact O-N 2.96Å; E338-A341 PolarHBondContact O-N 3.36Å; E338-R342 VanDerWaalsContact O-CG 3.28Å; E338-R342 WeakPolarHBondContact O-CG 3.36Å; E338-R342 PolarHBondContact O-N 3.22Å; E338-R342 VanDerWaalsContact O-N 3.1Å; E338-R342 IonicContact OE2-NH2 2.74Å; E338-R342 PolarHBondContact OE2-NH2 3.43Å; E338-R342 VanDerWaalsContact OE2-NH2 3.09Å
339E98.9Very high98.6Very high135 Ų13555.4 Ų55.463%0.63127%0.268SS*.Hα-helixtrans-62.4-51.4177.7-76.2174.7-171.500111.3N335 A341 R342 A343N335-E339 WeakPolarHBondContact O-CB 3.46Å; N335-E339 WeakPolarHBondContact O-CG 3.17Å; N335-E339 PolarHBondContact O-N 3.45Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.29Å; E339-R342 PolarHBondContact O-N 2.92Å; E339-R342 VanDerWaalsContact O-N 3.17Å; E339-A343 PolarHBondContact O-N 3.13Å
340T98.9Very high98.4Very high13 Ų1357.1 Ų57.18%0.0827%0.274CS..Hα-helixtrans-61.7-39.5178.3-60.70000111.3A64 E65 V68 R336 R342 A343 L344A64-T340 HydrophobicContact CB-CG2 3.48Å; A64-T340 VanDerWaalsContact CB-CG2 3.48Å; E65-T340 HydrophobicContact CG-CG2 4.28Å; V68-T340 HydrophobicContact CG2-CG2 4.12Å; R336-T340 WeakPolarHBondContact O-CB 3.38Å; R336-T340 PolarHBondContact O-N 3Å; R336-T340 PolarHBondContact O-OG1 3.48Å; T340-R342 PolarHBondContact O-N 2.66Å; T340-A343 PolarHBondContact O-N 2.96Å; T340-L344 HydrophobicContact CG2-CD1 4.36Å; T340-L344 HydrophobicContact CG2-CG 4.47Å; T340-L344 WeakPolarHBondContact O-CB 3.18Å; T340-L344 WeakPolarHBondContact O-CG 3.27Å; T340-L344 PolarHBondContact O-N 2.86Å
341A98.9Very high98.3Very high0 Ų056.9 Ų56.90%027%0.274CS..Hα-helixtrans-60.7-41.517500000113.3Y4 V5 M8 L337 E338 E339 L344 Y345Y4-A341 WeakPolarHBondContact O-CB 3.33Å; V5-A341 HydrophobicContact CB-CB 4.4Å; V5-A341 HydrophobicContact CG2-CB 4.08Å; M8-A341 HydrophobicContact CB-CB 4.11Å; M8-A341 HydrophobicContact CG-CB 3.69Å; L337-A341 VanDerWaalsContact O-CB 3.22Å; L337-A341 WeakPolarHBondContact O-CB 3.39Å; L337-A341 PolarHBondContact O-N 2.99Å; E338-A341 PolarHBondContact O-N 3.36Å; E339-A341 VanDerWaalsContact C-N 3.31Å; E339-A341 PolarHBondContact O-N 3.29Å; A341-L344 PolarHBondContact O-N 3.28Å; A341-Y345 WeakPolarHBondContact O-CB 3.45Å; A341-Y345 PolarHBondContact O-N 3.4Å
342R98.9Very high98.1Very high92 Ų9257.7 Ų57.735%0.34728%0.279SS..Hα-helixtrans-68.3-37.4177.6-68.9172.4-158-62.2-4.1111.6M1 V5 E338 E339 T340 Y345 S346M1-R342 HydrophobicContact CG-CG 4.38Å; M1-R342 HydrophobicContact SD-CG 4.35Å; V5-R342 HydrophobicContact CG2-CG 4.09Å; E338-R342 VanDerWaalsContact O-CG 3.28Å; E338-R342 WeakPolarHBondContact O-CG 3.36Å; E338-R342 PolarHBondContact O-N 3.22Å; E338-R342 VanDerWaalsContact O-N 3.1Å; E338-R342 IonicContact OE2-NH2 2.74Å; E338-R342 PolarHBondContact OE2-NH2 3.43Å; E338-R342 VanDerWaalsContact OE2-NH2 3.09Å; E339-R342 PolarHBondContact O-N 2.92Å; E339-R342 VanDerWaalsContact O-N 3.17Å; T340-R342 PolarHBondContact O-N 2.66Å; R342-Y345 PolarHBondContact O-N 2.87Å; R342-S346 PolarHBondContact O-N 3.46Å; R342-S346 PolarHBondContact O-OG 3.06Å
343A98.8Very high97.9Very high31 Ų3160.4 Ų60.426%0.25630%0.3SS..Hα-helixtrans-66.5-46.4174.400000111.5V68 E339 T340 Y345 S346 L347V68-A343 HydrophobicContact CB-CB 4.34Å; V68-A343 HydrophobicContact CG1-CB 3.63Å; V68-A343 HydrophobicContact CG2-CB 3.66Å; E339-A343 PolarHBondContact O-N 3.13Å; T340-A343 PolarHBondContact O-N 2.96Å; A343-Y345 VanDerWaalsContact C-N 3.32Å; A343-Y345 PolarHBondContact O-N 2.97Å; A343-S346 WeakPolarHBondContact O-CB 3.48Å; A343-S346 PolarHBondContact O-N 2.78Å; A343-S346 VanDerWaalsContact O-N 3.1Å; A343-L347 PolarHBondContact O-N 3.01Å; A343-L347 VanDerWaalsContact O-N 3.16Å
344L98.8Very high97.6Very high0 Ų058.5 Ų58.50%029%0.294CS..Hα-helixtrans-57.8-43172.8-76.8175.5000111.9Y4 M8 A64 L67 V68 C137 L140 R141 T340 A341 S346 L347 G348Y4-L344 HydrophobicContact CD1-CB 4.27Å; M8-L344 HydrophobicContact SD-CD1 4.21Å; A64-L344 HydrophobicContact CB-CD1 3.95Å; L67-L344 HydrophobicContact CB-CD2 3.98Å; L67-L344 HydrophobicContact CD1-CD2 4.45Å; V68-L344 HydrophobicContact CG2-CD2 3.85Å; V68-L344 HydrophobicContact CG2-CG 3.8Å; C137-L344 HydrophobicContact CB-CD1 3.88Å; L140-L344 HydrophobicContact CD1-CD1 4.31Å; R141-L344 HydrophobicContact CB-CD2 4.19Å; T340-L344 HydrophobicContact CG2-CD1 4.36Å; T340-L344 HydrophobicContact CG2-CG 4.47Å; T340-L344 WeakPolarHBondContact O-CB 3.18Å; T340-L344 WeakPolarHBondContact O-CG 3.27Å; T340-L344 PolarHBondContact O-N 2.86Å; A341-L344 PolarHBondContact O-N 3.28Å; L344-S346 VanDerWaalsContact C-N 3.3Å; L344-S346 PolarHBondContact O-N 2.61Å; L344-L347 PolarHBondContact O-N 3.14Å; L344-G348 PolarHBondContact O-N 3.46Å
345Y98.8Very high97.4Very high90 Ų9059.9 Ų59.935%0.35331%0.305SS..Hα-helixtrans-60.1-41.1175.6177.8-106.7000111.9M1 Y4 A341 R342 A343 L347 A349M1-Y345 HydrophobicContact CB-CD1 3.91Å; M1-Y345 HydrophobicContact CB-CE1 3.88Å; M1-Y345 HydrophobicContact CB-CG 4.34Å; M1-Y345 HydrophobicContact CG-CD1 4.18Å; M1-Y345 VanDerWaalsContact N-CE2 3.3Å; Y4-Y345 VanDerWaalsContact CD1-CA 3.49Å; Y4-Y345 HydrophobicContact CD1-CD2 4.24Å; Y4-Y345 HydrophobicContact CD1-CG 4.47Å; Y4-Y345 AromaticContact CD2-CD2 3.8Å; Y4-Y345 HydrophobicContact CD2-CD2 3.8Å; Y4-Y345 HydrophobicContact CE1-CD2 4.35Å; Y4-Y345 AromaticContact CE2-CD2 3.92Å; Y4-Y345 HydrophobicContact CE2-CD2 3.92Å; Y4-Y345 AromaticContact CG-CD2 3.97Å; Y4-Y345 HydrophobicContact CG-CD2 3.97Å; Y4-Y345 HydrophobicContact CG-CG 4.38Å; A341-Y345 WeakPolarHBondContact O-CB 3.45Å; A341-Y345 PolarHBondContact O-N 3.4Å; R342-Y345 PolarHBondContact O-N 2.87Å; A343-Y345 VanDerWaalsContact C-N 3.32Å; A343-Y345 PolarHBondContact O-N 2.97Å; Y345-L347 PolarHBondContact O-N 3Å; Y345-A349 HydrophobicContact CD2-CB 4.07Å; Y345-A349 HydrophobicContact CE2-CB 3.76Å; Y345-A349 WeakPolarHBondContact O-CB 3.4Å; Y345-A349 PolarHBondContact O-N 2.93Å
346S98.6Very high97Very high71 Ų7157.9 Ų57.950%0.49730%0.301SS..Hα-helixtrans-65-27.7179.4-59.80000113.3R342 A343 L344R342-S346 PolarHBondContact O-N 3.46Å; R342-S346 PolarHBondContact O-OG 3.06Å; A343-S346 WeakPolarHBondContact O-CB 3.48Å; A343-S346 PolarHBondContact O-N 2.78Å; A343-S346 VanDerWaalsContact O-N 3.1Å; L344-S346 VanDerWaalsContact C-N 3.3Å; L344-S346 PolarHBondContact O-N 2.61Å
347L98.5Very high96.3Very high17 Ų1758.6 Ų58.69%0.08931%0.311CS..Hα-helixtrans-86.4-58.1175-65172.8000111.4K72 A343 L344 Y345 A349 K350K72-L347 HydrophobicContact CG-CD2 3.58Å; A343-L347 PolarHBondContact O-N 3.01Å; A343-L347 VanDerWaalsContact O-N 3.16Å; L344-L347 PolarHBondContact O-N 3.14Å; Y345-L347 PolarHBondContact O-N 3Å; L347-A349 PolarHBondContact O-N 3.09Å; L347-K350 PolarHBondContact O-N 3.21Å; L347-K350 VanDerWaalsContact O-N 3.17Å
348G97.7Very high96.2Very high1 Ų161.6 Ų61.61%0.0133%0.327CS..Hα-helixtrans-72.2-21.3-171.700000115.3R141 P143 H144 L344 K350R141-G348 WeakPolarHBondContact O-CA 3.32Å; P143-G348 WeakPolarHBondContact CD-O 3.32Å; P143-G348 WeakPolarHBondContact CG-O 3.42Å; H144-G348 PolarHBondContact NE2-O 3.4Å; L344-G348 PolarHBondContact O-N 3.46Å; G348-K350 PolarHBondContact O-N 3.16Å
349A95.3Very high96Very high48 Ų4862.9 Ų62.940%0.39734%0.336SS..THydrogen-bonded Turntrans-77.8-8.5173.200000113.4Y345 L347Y345-A349 HydrophobicContact CD2-CB 4.07Å; Y345-A349 HydrophobicContact CE2-CB 3.76Å; Y345-A349 WeakPolarHBondContact O-CB 3.4Å; Y345-A349 PolarHBondContact O-N 2.93Å; L347-A349 PolarHBondContact O-N 3.09Å
350K94.6Very high95.8Very high138 Ų13858.9 Ų58.960%0.632%0.319SS*.SBendtrans-119.7105.5178.2-65.8-175.3-178.8-176.30108.8L347 G348 D352L347-K350 PolarHBondContact O-N 3.21Å; L347-K350 VanDerWaalsContact O-N 3.17Å; G348-K350 PolarHBondContact O-N 3.16Å; K350-D352 PolarHBondContact O-N 3.37Å
351E96.3Very high95.7Very high119 Ų11961.6 Ų61.656%0.55633%0.333SS*.  trans-52.2130178.4-167.3176.7163.100111.9H144 S146H144-E351 HydrophobicContact CB-CG 4.02Å; H144-E351 IonicContact ND1-OE2 3.63Å; H144-E351 PolarHBondContact NE2-N 3.17Å; S146-E351 WeakPolarHBondContact CB-OE1 3.45Å; S146-E351 VanDerWaalsContact OG-CD 3.23Å; S146-E351 PolarHBondContact OG-OE1 3.38Å
352D94.9Very high95.5Very high24 Ų2465.5 Ų65.513%0.12835%0.354CS..  trans-143.8166.9177.368.4-12.8000111.3A73 R141 Q147 K350A73-D352 PolarHBondContact N-OD2 3.13Å; R141-D352 IonicContact CZ-OD1 3.7Å; R141-D352 IonicContact CZ-OD2 3.28Å; R141-D352 IonicContact NH1-OD1 3.32Å; R141-D352 PolarHBondContact NH1-OD1 2.9Å; R141-D352 IonicContact NH1-OD2 2.64Å; R141-D352 IonicContact NH2-OD1 2.76Å; R141-D352 PolarHBondContact NH2-OD1 3.06Å; R141-D352 IonicContact NH2-OD2 3.06Å; R141-D352 PolarHBondContact NH2-OD2 3.35Å; Q147-D352 PolarHBondContact NE2-O 3.44Å; Q147-D352 PolarHBondContact NE2-OD1 3.07Å; K350-D352 PolarHBondContact O-N 3.37Å
353T94.6Very high95.2Very high117 Ų11763.7 Ų63.772%0.71836%0.355SS*.  trans-117.5128.5-178.1-48.20000109.7A73A73-T353 WeakPolarHBondContact CA-O 3.45Å; A73-T353 WeakPolarHBondContact CB-O 3.26Å
354V93.7Very high95Very high18 Ų1866.1 Ų66.111%0.10936%0.362CS..  trans-76.8156.1174.6-560000110.9P74 L76 F142 T150P74-V354 HydrophobicContact CG-CG1 3.91Å; P74-V354 WeakPolarHBondContact O-CA 3.24Å; P74-V354 WeakPolarHBondContact O-CB 3.37Å; L76-V354 HydrophobicContact CD1-CG2 4.45Å; L76-V354 HydrophobicContact CD2-CB 4.13Å; L76-V354 HydrophobicContact CD2-CG1 4.36Å; L76-V354 HydrophobicContact CD2-CG2 4.08Å; L76-V354 HydrophobicContact CG-CB 4.44Å; L76-V354 HydrophobicContact CG-CG2 4.19Å; F142-V354 HydrophobicContact CE1-CG1 3.78Å; F142-V354 HydrophobicContact CZ-CG1 4.09Å; T150-V354 HydrophobicContact CG2-CB 4.35Å; T150-V354 HydrophobicContact CG2-CG1 3.58Å; T150-V354 HydrophobicContact CG2-CG2 3.82Å; T150-V354 VanDerWaalsContact OG1-CG2 3.27Å; T150-V354 WeakPolarHBondContact OG1-CG2 3.38Å
355I94.2Very high94.7Very high94 Ų9471.2 Ų71.248%0.48239%0.389SS..BIsolated β-bridgetrans-91.6112.7166.2-59.3161.7000106.8P74 K75 L76P74-I355 PolarHBondContact O-N 2.76Å; K75-I355 HydrophobicContact CB-CB 4.49Å; K75-I355 HydrophobicContact CG-CB 3.96Å; K75-I355 HydrophobicContact CG-CD1 3.68Å; K75-I355 HydrophobicContact CG-CG1 4.4Å; K75-I355 HydrophobicContact CG-CG2 4.27Å; L76-I355 PolarHBondContact N-O 3.46Å
356S89.1Confident94.3Very high79 Ų7969.6 Ų69.655%0.55239%0.392SS*.  trans-64.5168.9-175.665.60000113.3
357L84.8Confident94Very high109 Ų10969.5 Ų69.557%0.57138%0.383SS*.  trans-62.80175.8-75.5-175.9000113.8L76 T77 Y80 W118L76-L357 HydrophobicContact CB-CD2 4.02Å; L76-L357 HydrophobicContact CB-CG 4.1Å; L76-L357 HydrophobicContact CD1-CG 4.46Å; T77-L357 HydrophobicContact CG2-CD2 3.59Å; Y80-L357 HydrophobicContact CD2-CD1 4.24Å; Y80-L357 HydrophobicContact CD2-CD2 3.92Å; Y80-L357 HydrophobicContact CD2-CG 4.34Å; Y80-L357 HydrophobicContact CE2-CD1 3.71Å; Y80-L357 HydrophobicContact CE2-CD2 3.92Å; Y80-L357 HydrophobicContact CE2-CG 3.83Å; W118-L357 HydrophobicContact CH2-CD1 4.28Å

Retrieved 357 of 357 residues in 73.4 ms (Link to these results)

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