G4VBG8_SCHMA Loading...

ADP-ribosylhydrolase ARH3

AlphaFold DB , UniProt , Accession G4VBG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 352 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
1M87.4Confident96.1Very high62 Ų6225.1 Ų25.131%0.30513%0.126SC..  0138.90179.2173.2-178.200109.6Y3 F6 F183 I186 H187M1-Y3 PolarHBondContact O-N 3.24Å; M1-F6 HydrophobicContact CE-CB 3.43Å; M1-F6 VanDerWaalsContact CE-CB 3.43Å; M1-F6 HydrophobicContact CE-CD1 3.92Å; M1-F6 HydrophobicContact CE-CD2 3.46Å; M1-F6 VanDerWaalsContact CE-CD2 3.46Å; M1-F6 HydrophobicContact CE-CE2 4.21Å; M1-F6 HydrophobicContact CE-CG 3.29Å; M1-F183 HydrophobicContact CE-CD2 3.5Å; M1-F183 HydrophobicContact CE-CE2 3.91Å; M1-F183 HydrophobicContact CE-CG 4.34Å; M1-F183 HydrophobicContact SD-CD2 3.9Å; M1-F183 HydrophobicContact SD-CE2 3.83Å; M1-F183 HydrophobicContact SD-CZ 4.47Å; M1-I186 HydrophobicContact CE-CB 3.89Å; M1-I186 HydrophobicContact CE-CD1 4.15Å; M1-I186 HydrophobicContact CE-CG2 3.78Å; M1-I186 HydrophobicContact CG-CG2 3.93Å; M1-I186 HydrophobicContact SD-CB 4.21Å; M1-I186 HydrophobicContact SD-CG2 4Å; M1-H187 HydrophobicContact SD-CB 3.94Å
2D93Very high96.3Very high92 Ų9223 Ų2349%0.49212%0.116SC..  trans-84.4101.4169.6179.1-8.3000109.4L4 S5 F6D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 2.84Å; D2-L4 WeakPolarHBondContact OD1-CB 3.19Å; D2-L4 PolarHBondContact OD1-N 3.17Å; D2-S5 PolarHBondContact O-N 3.04Å; D2-S5 PolarHBondContact OD1-N 3.29Å; D2-S5 WeakPolarHBondContact OD2-CB 3.45Å; D2-F6 PolarHBondContact O-N 3.08Å; D2-F6 VanDerWaalsContact O-N 3.12Å
3Y95.7Very high96.4Very high45 Ų4521.2 Ų21.218%0.17611%0.107CC..Hα-helixtrans-63.7-32.9-179.8-64-67.6000112.9M1 F6 C7 F183 S346 L349 Q350M1-Y3 PolarHBondContact O-N 3.24Å; Y3-F6 PolarHBondContact O-N 3.27Å; Y3-C7 WeakPolarHBondContact O-CB 3.48Å; Y3-C7 PolarHBondContact O-N 3.05Å; Y3-C7 PolarHBondContact O-SG 2.96Å; Y3-C7 VanDerWaalsContact O-SG 3.39Å; Y3-F183 AromaticContact CD1-CE2 3.85Å; Y3-F183 HydrophobicContact CD1-CE2 3.85Å; Y3-F183 HydrophobicContact CD1-CZ 4.3Å; Y3-F183 AromaticContact CE1-CE2 3.72Å; Y3-F183 HydrophobicContact CE1-CE2 3.72Å; Y3-F183 AromaticContact CE1-CZ 3.72Å; Y3-F183 HydrophobicContact CE1-CZ 3.72Å; Y3-S346 WeakPolarHBondContact CB-OG 3.24Å; Y3-L349 HydrophobicContact CD1-CB 3.82Å; Y3-L349 HydrophobicContact CD1-CD1 4.12Å; Y3-L349 HydrophobicContact CE1-CB 4.23Å; Y3-L349 HydrophobicContact CG-CB 4.13Å; Y3-Q350 HydrophobicContact CD2-CG 3.54Å; Y3-Q350 HydrophobicContact CE2-CG 4.17Å; Y3-Q350 HydrophobicContact CG-CG 4.31Å
4L96.4Very high96.6Very high43 Ų4320.2 Ų20.223%0.22510%0.104CC..Hα-helixtrans-70.2-48.6179.9179.562.9000109.5D2 F6 C7 R8 S346D2-L4 VanDerWaalsContact C-N 3.28Å; D2-L4 PolarHBondContact O-N 2.84Å; D2-L4 WeakPolarHBondContact OD1-CB 3.19Å; D2-L4 PolarHBondContact OD1-N 3.17Å; L4-F6 PolarHBondContact O-N 3.35Å; L4-C7 PolarHBondContact O-N 2.99Å; L4-R8 HydrophobicContact CD1-CG 3.93Å; L4-R8 HydrophobicContact CG-CG 4.24Å; L4-R8 VanDerWaalsContact O-CB 3.29Å; L4-R8 WeakPolarHBondContact O-CB 3.44Å; L4-R8 WeakPolarHBondContact O-CG 3.4Å; L4-R8 PolarHBondContact O-N 3.45Å; L4-S346 VanDerWaalsContact CA-OG 3.31Å; L4-S346 WeakPolarHBondContact CA-OG 3.48Å; L4-S346 PolarHBondContact N-OG 2.95Å
5S96.2Very high96.7Very high14 Ų1419 Ų1910%0.09810%0.098CC..Hα-helixtrans-56.3-40.6176.3-179.30000111.8D2 G9 G315 I316D2-S5 PolarHBondContact O-N 3.04Å; D2-S5 PolarHBondContact OD1-N 3.29Å; D2-S5 WeakPolarHBondContact OD2-CB 3.45Å; S5-G9 PolarHBondContact O-N 3.21Å; S5-G315 WeakPolarHBondContact O-CA 3.47Å; S5-G315 VanDerWaalsContact OG-CA 3.27Å; S5-G315 WeakPolarHBondContact OG-CA 3.31Å; S5-I316 PolarHBondContact O-N 3.33Å; S5-I316 PolarHBondContact OG-N 3.3Å; S5-I316 VanDerWaalsContact OG-N 3.11Å
6F97.5Very high96.8Very high3 Ų317.8 Ų17.81%0.0139%0.092CC..Hα-helixtrans-67-51.1175.7178.4-101.8000113.4M1 D2 Y3 L4 R8 G9 V10 L141 L144 I179 I182 F183 I186 G312M1-F6 HydrophobicContact CE-CB 3.43Å; M1-F6 VanDerWaalsContact CE-CB 3.43Å; M1-F6 HydrophobicContact CE-CD1 3.92Å; M1-F6 HydrophobicContact CE-CD2 3.46Å; M1-F6 VanDerWaalsContact CE-CD2 3.46Å; M1-F6 HydrophobicContact CE-CE2 4.21Å; M1-F6 HydrophobicContact CE-CG 3.29Å; D2-F6 PolarHBondContact O-N 3.08Å; D2-F6 VanDerWaalsContact O-N 3.12Å; Y3-F6 PolarHBondContact O-N 3.27Å; L4-F6 PolarHBondContact O-N 3.35Å; F6-R8 VanDerWaalsContact C-N 3.32Å; F6-R8 PolarHBondContact O-N 3.2Å; F6-G9 WeakPolarHBondContact O-CA 3.21Å; F6-G9 PolarHBondContact O-N 2.8Å; F6-G9 VanDerWaalsContact O-N 3.13Å; F6-V10 HydrophobicContact CE1-CG2 4.11Å; F6-V10 HydrophobicContact CE2-CG2 4Å; F6-V10 HydrophobicContact CZ-CG2 3.78Å; F6-V10 PolarHBondContact O-N 3.43Å; F6-L141 HydrophobicContact CD1-CD2 4.02Å; F6-L141 HydrophobicContact CE1-CD2 3.42Å; F6-L141 VanDerWaalsContact CE1-CD2 3.42Å; F6-L141 HydrophobicContact CZ-CD2 4.27Å; F6-L144 HydrophobicContact CE1-CD1 3.81Å; F6-I179 HydrophobicContact CZ-CG2 4.14Å; F6-I182 HydrophobicContact CE2-CG2 3.91Å; F6-F183 AromaticContact CD1-CD2 3.78Å; F6-F183 HydrophobicContact CD1-CD2 3.78Å; F6-F183 HydrophobicContact CD1-CE2 4.45Å; F6-F183 HydrophobicContact CE1-CB 3.99Å; F6-F183 AromaticContact CE1-CD2 3.59Å; F6-F183 HydrophobicContact CE1-CD2 3.59Å; F6-F183 HydrophobicContact CE1-CG 4.25Å; F6-F183 HydrophobicContact CE2-CB 4.21Å; F6-F183 HydrophobicContact CG-CD2 4.38Å; F6-F183 HydrophobicContact CZ-CB 3.62Å; F6-F183 HydrophobicContact CZ-CD2 4.05Å; F6-F183 HydrophobicContact CZ-CG 4.35Å; F6-I186 HydrophobicContact CD2-CD1 3.59Å; F6-I186 HydrophobicContact CE2-CD1 3.87Å; F6-G312 VanDerWaalsContact CD2-O 3.24Å; F6-G312 WeakPolarHBondContact CD2-O 3.38Å
7C98Very high96.9Very high0 Ų016.8 Ų16.80%09%0.087CC..Hα-helixtrans-61.6-40.7179.7-74.30000111.8Y3 L4 V10 L11 L141 A342Y3-C7 WeakPolarHBondContact O-CB 3.48Å; Y3-C7 PolarHBondContact O-N 3.05Å; Y3-C7 PolarHBondContact O-SG 2.96Å; Y3-C7 VanDerWaalsContact O-SG 3.39Å; L4-C7 PolarHBondContact O-N 2.99Å; C7-V10 PolarHBondContact O-N 3.16Å; C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.47Å; C7-L141 HydrophobicContact CB-CD1 4.46Å; C7-A342 HydrophobicContact CB-CB 4.35Å
8R97.7Very high97Very high7 Ų715.8 Ų15.83%0.0268%0.082CC..Hα-helixtrans-62.4-46.5172.2-71-178.480-146.321.2110.9L4 F6 V10 L11 I12 I316 P317 N318 E339 A342L4-R8 HydrophobicContact CD1-CG 3.93Å; L4-R8 HydrophobicContact CG-CG 4.24Å; L4-R8 VanDerWaalsContact O-CB 3.29Å; L4-R8 WeakPolarHBondContact O-CB 3.44Å; L4-R8 WeakPolarHBondContact O-CG 3.4Å; L4-R8 PolarHBondContact O-N 3.45Å; F6-R8 VanDerWaalsContact C-N 3.32Å; F6-R8 PolarHBondContact O-N 3.2Å; R8-V10 VanDerWaalsContact C-N 3.31Å; R8-V10 PolarHBondContact O-N 2.74Å; R8-L11 PolarHBondContact O-N 3.1Å; R8-I12 HydrophobicContact CB-CD1 3.93Å; R8-I12 HydrophobicContact CG-CD1 4.18Å; R8-I12 WeakPolarHBondContact O-CA 3.24Å; R8-I12 WeakPolarHBondContact O-CB 3.47Å; R8-I12 WeakPolarHBondContact O-CG1 3.29Å; R8-I12 PolarHBondContact O-N 3.17Å; R8-I316 HydrophobicContact CB-CB 4.27Å; R8-I316 PolarHBondContact NH1-O 3.04Å; R8-P317 PolarHBondContact NH1-O 2.8Å; R8-N318 VanDerWaalsContact NH1-CB 3.32Å; R8-N318 PolarHBondContact NH2-OD1 3.13Å; R8-N318 VanDerWaalsContact NH2-OD1 3.1Å; R8-E339 WeakPolarHBondContact CD-OE1 3.27Å; R8-E339 IonicContact CZ-OE1 3.31Å; R8-E339 VanDerWaalsContact CZ-OE1 3.31Å; R8-E339 IonicContact CZ-OE2 3.22Å; R8-E339 VanDerWaalsContact CZ-OE2 3.22Å; R8-E339 IonicContact NE-OE1 2.84Å; R8-E339 PolarHBondContact NE-OE1 3.42Å; R8-E339 IonicContact NE-OE2 2.78Å; R8-E339 PolarHBondContact NE-OE2 3.12Å; R8-E339 IonicContact NH2-OE1 3.25Å; R8-E339 PolarHBondContact NH2-OE1 3.11Å; R8-E339 IonicContact NH2-OE2 2.84Å; R8-E339 PolarHBondContact NH2-OE2 3.32Å; R8-A342 HydrophobicContact CB-CB 4.46Å; R8-A342 HydrophobicContact CG-CB 3.66Å
9G97.8Very high97.1Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-47.8-51.6173.300000113.2S5 F6 G13 G311 G312S5-G9 PolarHBondContact O-N 3.21Å; F6-G9 WeakPolarHBondContact O-CA 3.21Å; F6-G9 PolarHBondContact O-N 2.8Å; F6-G9 VanDerWaalsContact O-N 3.13Å; G9-G13 VanDerWaalsContact O-CA 3.26Å; G9-G13 WeakPolarHBondContact O-CA 3.43Å; G9-G13 PolarHBondContact O-N 2.88Å; G9-G311 WeakPolarHBondContact CA-O 3.49Å; G9-G311 CarbonylContact O-C 3.59Å; G9-G311 VanDerWaalsContact O-CA 3.3Å; G9-G311 WeakPolarHBondContact O-CA 3.34Å; G9-G312 PolarHBondContact O-N 3.4Å
10V98.7Very high97.2Very high1 Ų114.3 Ų14.31%0.0067%0.074CC..Hα-helixtrans-70.1-50.2-178.81730000112.2F6 C7 R8 G14 A137 L141 I179 A308F6-V10 HydrophobicContact CE1-CG2 4.11Å; F6-V10 HydrophobicContact CE2-CG2 4Å; F6-V10 HydrophobicContact CZ-CG2 3.78Å; F6-V10 PolarHBondContact O-N 3.43Å; C7-V10 PolarHBondContact O-N 3.16Å; R8-V10 VanDerWaalsContact C-N 3.31Å; R8-V10 PolarHBondContact O-N 2.74Å; V10-G14 PolarHBondContact O-N 3.24Å; V10-A137 HydrophobicContact CG1-CB 3.79Å; V10-L141 HydrophobicContact CB-CD1 4.01Å; V10-L141 HydrophobicContact CB-CD2 4.13Å; V10-L141 HydrophobicContact CB-CG 4.37Å; V10-L141 HydrophobicContact CG1-CD1 3.82Å; V10-L141 HydrophobicContact CG1-CD2 4.14Å; V10-L141 HydrophobicContact CG1-CG 3.98Å; V10-L141 HydrophobicContact CG2-CD2 4.11Å; V10-I179 HydrophobicContact CG1-CD1 4.04Å; V10-I179 HydrophobicContact CG1-CG1 4.47Å; V10-I179 HydrophobicContact CG1-CG2 4.42Å; V10-I179 HydrophobicContact CG2-CG2 4.28Å; V10-A308 WeakPolarHBondContact CA-O 3.49Å; V10-A308 HydrophobicContact CG1-CB 4.48Å; V10-A308 WeakPolarHBondContact O-CA 3.28Å; V10-A308 VanDerWaalsContact O-CB 3.29Å; V10-A308 WeakPolarHBondContact O-CB 3.45Å
11L98.7Very high97.2Very high9 Ų913.6 Ų13.65%0.0477%0.07CC..Hα-helixtrans-77.4-47.2-173.4-63.9-178.7000113.2C7 R8 G13 G14 L15 L64 P138 L141 I338 A342 L345C7-L11 WeakPolarHBondContact O-CG 3Å; C7-L11 PolarHBondContact O-N 3.47Å; R8-L11 PolarHBondContact O-N 3.1Å; L11-G13 VanDerWaalsContact C-N 3.31Å; L11-G14 PolarHBondContact O-N 2.84Å; L11-L15 PolarHBondContact O-N 3.25Å; L11-L64 HydrophobicContact CD1-CD1 4.4Å; L11-L64 HydrophobicContact CD1-CD2 4.48Å; L11-P138 HydrophobicContact CD2-CG 3.89Å; L11-L141 HydrophobicContact CD1-CD1 4.16Å; L11-L141 HydrophobicContact CD2-CD1 3.74Å; L11-L141 HydrophobicContact CG-CD1 3.63Å; L11-I338 HydrophobicContact CB-CG2 3.74Å; L11-A342 HydrophobicContact CD1-CB 4.07Å; L11-L345 HydrophobicContact CD1-CD1 3.91Å
12I98.2Very high97.7Very high0 Ų012.1 Ų12.10%06%0.062CC..Hα-helixtrans-69.1-36.1177.3-59.5174.7000109.8R8 L15 M16 I316 I329 Y335 I338 E339R8-I12 HydrophobicContact CB-CD1 3.93Å; R8-I12 HydrophobicContact CG-CD1 4.18Å; R8-I12 WeakPolarHBondContact O-CA 3.24Å; R8-I12 WeakPolarHBondContact O-CB 3.47Å; R8-I12 WeakPolarHBondContact O-CG1 3.29Å; R8-I12 PolarHBondContact O-N 3.17Å; I12-L15 PolarHBondContact O-N 2.95Å; I12-M16 HydrophobicContact CG2-CE 4.06Å; I12-M16 HydrophobicContact CG2-CG 4.26Å; I12-M16 HydrophobicContact CG2-SD 4.3Å; I12-M16 WeakPolarHBondContact O-CG 3.41Å; I12-M16 PolarHBondContact O-N 3.44Å; I12-I316 HydrophobicContact CB-CD1 4.15Å; I12-I316 HydrophobicContact CG2-CD1 4.24Å; I12-I329 HydrophobicContact CD1-CG2 4.46Å; I12-I329 HydrophobicContact CG2-CB 4.25Å; I12-I329 HydrophobicContact CG2-CD1 4.07Å; I12-I329 HydrophobicContact CG2-CG1 3.81Å; I12-I329 HydrophobicContact CG2-CG2 3.5Å; I12-I329 VanDerWaalsContact CG2-CG2 3.5Å; I12-Y335 HydrophobicContact CD1-CD2 4.46Å; I12-Y335 HydrophobicContact CD1-CE2 4.09Å; I12-I338 HydrophobicContact CG1-CG2 3.92Å; I12-E339 VanDerWaalsContact CD1-OE2 3.31Å; I12-E339 WeakPolarHBondContact CD1-OE2 3.31Å
13G98.3Very high97.9Very high0 Ų011.1 Ų11.10%06%0.056CC..Hα-helixtrans-54.5-51.2170.400000111.8G9 L11 M16 G17 T307G9-G13 VanDerWaalsContact O-CA 3.26Å; G9-G13 WeakPolarHBondContact O-CA 3.43Å; G9-G13 PolarHBondContact O-N 2.88Å; L11-G13 VanDerWaalsContact C-N 3.31Å; G13-M16 PolarHBondContact O-N 3.27Å; G13-G17 PolarHBondContact O-N 3.31Å; G13-T307 WeakPolarHBondContact CA-O 3.35Å; G13-T307 WeakPolarHBondContact O-CB 3.49Å; G13-T307 WeakPolarHBondContact O-CG2 3.45Å
14G98.7Very high98Very high7 Ų710.3 Ų10.37%0.0725%0.053CC..Hα-helixtrans-56.7-50.1174.500000112.8V10 L11 M16 G17 D18 C304V10-G14 PolarHBondContact O-N 3.24Å; L11-G14 PolarHBondContact O-N 2.84Å; G14-M16 PolarHBondContact O-N 3.4Å; G14-G17 PolarHBondContact O-N 2.97Å; G14-D18 PolarHBondContact O-N 3Å; G14-C304 WeakPolarHBondContact CA-O 3.47Å
15L98.7Very high98Very high2 Ų211 Ų111%0.016%0.055CC..Hα-helixtrans-56.4-47.4178.317566.1000112.6L11 I12 G17 D18 C19 T57 C332 E333 I338L11-L15 PolarHBondContact O-N 3.25Å; I12-L15 PolarHBondContact O-N 2.95Å; L15-G17 VanDerWaalsContact C-N 3.35Å; L15-D18 PolarHBondContact O-N 3.47Å; L15-C19 WeakPolarHBondContact O-CB 3.44Å; L15-C19 PolarHBondContact O-N 3.23Å; L15-C19 PolarHBondContact O-SG 2.84Å; L15-T57 HydrophobicContact CD1-CG2 3.74Å; L15-C332 HydrophobicContact CD1-CB 4.18Å; L15-C332 HydrophobicContact CD2-CB 3.69Å; L15-C332 HydrophobicContact CG-CB 3.7Å; L15-E333 WeakPolarHBondContact CD1-O 3.42Å; L15-I338 HydrophobicContact CD2-CB 4.38Å; L15-I338 HydrophobicContact CD2-CG1 4.2Å
16M98.3Very high97.9Very high0 Ų013.5 Ų13.50%08%0.083CC..Hα-helixtrans-64.7-41.8178.4-70.4-178.7-62.100111.5I12 G13 G14 D18 Y20 I289 T307 I316 I324 I328 I329I12-M16 HydrophobicContact CG2-CE 4.06Å; I12-M16 HydrophobicContact CG2-CG 4.26Å; I12-M16 HydrophobicContact CG2-SD 4.3Å; I12-M16 WeakPolarHBondContact O-CG 3.41Å; I12-M16 PolarHBondContact O-N 3.44Å; G13-M16 PolarHBondContact O-N 3.27Å; G14-M16 PolarHBondContact O-N 3.4Å; M16-D18 VanDerWaalsContact C-N 3.33Å; M16-D18 PolarHBondContact O-N 3.12Å; M16-Y20 WeakPolarHBondContact O-CB 3.24Å; M16-Y20 WeakPolarHBondContact O-CD2 3.21Å; M16-Y20 PolarHBondContact O-N 3.26Å; M16-I289 HydrophobicContact CB-CD1 3.91Å; M16-T307 HydrophobicContact CE-CG2 4.43Å; M16-I316 HydrophobicContact CE-CD1 4.02Å; M16-I324 HydrophobicContact CE-CD1 3.58Å; M16-I324 HydrophobicContact CE-CG2 4.23Å; M16-I324 HydrophobicContact SD-CD1 4.43Å; M16-I324 HydrophobicContact SD-CG2 3.76Å; M16-I328 HydrophobicContact SD-CG2 3.85Å; M16-I329 HydrophobicContact CG-CG1 4.5Å; M16-I329 HydrophobicContact SD-CG1 3.62Å
17G98.6Very high97.8Very high0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-58.4-44.9177.100000112.5G13 G14 L15 G21 G303G13-G17 PolarHBondContact O-N 3.31Å; G14-G17 PolarHBondContact O-N 2.97Å; L15-G17 VanDerWaalsContact C-N 3.35Å; G17-G21 WeakPolarHBondContact O-CA 3.22Å; G17-G21 PolarHBondContact O-N 3.46Å; G17-G303 VanDerWaalsContact CA-C 3.47Å
18D98.8Very high97.6Very high0 Ų023.2 Ų23.20%014%0.137CC..Hα-helixtrans-62-65.2172.2174.8-4.2000110.6G14 L15 M16 Y20 G21 F22 S54 D56 T57 C304G14-D18 PolarHBondContact O-N 3Å; L15-D18 PolarHBondContact O-N 3.47Å; M16-D18 VanDerWaalsContact C-N 3.33Å; M16-D18 PolarHBondContact O-N 3.12Å; D18-Y20 PolarHBondContact O-N 3.13Å; D18-G21 CarbonylContact O-C 3.52Å; D18-G21 PolarHBondContact O-N 3.14Å; D18-F22 VanDerWaalsContact O-CB 3.26Å; D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 3.07Å; D18-S54 WeakPolarHBondContact OD1-CB 3.29Å; D18-S54 PolarHBondContact OD1-N 2.83Å; D18-S54 PolarHBondContact OD1-OG 3.05Å; D18-S54 VanDerWaalsContact OD1-OG 3.13Å; D18-S54 PolarHBondContact OD2-N 3.14Å; D18-S54 VanDerWaalsContact OD2-N 3.13Å; D18-D56 HydrophobicContact CB-CB 4.15Å; D18-D56 WeakPolarHBondContact OD2-CB 3.39Å; D18-T57 WeakPolarHBondContact OD2-CB 3.29Å; D18-T57 PolarHBondContact OD2-N 3.38Å; D18-T57 PolarHBondContact OD2-OG1 3.14Å; D18-C304 HydrophobicContact CB-CB 4.15Å
19C98.5Very high97.3Very high0 Ų025.5 Ų25.50%016%0.157CC..Hα-helixtrans-55.1-43.5-172.3-77.10000114.4L15 L51 C332L15-C19 WeakPolarHBondContact O-CB 3.44Å; L15-C19 PolarHBondContact O-N 3.23Å; L15-C19 PolarHBondContact O-SG 2.84Å; C19-L51 HydrophobicContact CB-CB 3.86Å; C19-C332 HydrophobicContact CB-CB 4.13Å
20Y98.2Very high97.1Very high1 Ų127.4 Ų27.40%0.00417%0.169CC..Hα-helixtrans-76.5-37.6177.3-78.8-88.6000111.9M16 D18 F22 Y24 L38 L39 S42 L51 I289 I293 I328M16-Y20 WeakPolarHBondContact O-CB 3.24Å; M16-Y20 WeakPolarHBondContact O-CD2 3.21Å; M16-Y20 PolarHBondContact O-N 3.26Å; D18-Y20 PolarHBondContact O-N 3.13Å; Y20-F22 VanDerWaalsContact C-N 3.35Å; Y20-Y24 WeakPolarHBondContact O-CD2 3.42Å; Y20-L38 HydrophobicContact CD1-CD2 3.83Å; Y20-L38 HydrophobicContact CD1-CG 4.24Å; Y20-L38 HydrophobicContact CE1-CD2 4.16Å; Y20-L38 HydrophobicContact CE1-CG 4.1Å; Y20-L39 HydrophobicContact CD1-CD2 3.86Å; Y20-L39 HydrophobicContact CD1-CG 4.26Å; Y20-L39 HydrophobicContact CD2-CD2 4.4Å; Y20-L39 HydrophobicContact CE1-CD2 3.55Å; Y20-L39 HydrophobicContact CE1-CG 4.17Å; Y20-L39 HydrophobicContact CE2-CD2 4.13Å; Y20-L39 HydrophobicContact CG-CD2 4.28Å; Y20-S42 WeakPolarHBondContact OH-CB 3.28Å; Y20-S42 PolarHBondContact OH-OG 3.45Å; Y20-L51 HydrophobicContact CD1-CD1 3.79Å; Y20-L51 HydrophobicContact CD2-CD1 3.82Å; Y20-L51 HydrophobicContact CE1-CD1 3.53Å; Y20-L51 HydrophobicContact CE2-CD1 3.56Å; Y20-L51 HydrophobicContact CG-CD1 3.93Å; Y20-I289 HydrophobicContact CD2-CD1 4.42Å; Y20-I289 HydrophobicContact CG-CG2 4.18Å; Y20-I293 WeakPolarHBondContact O-CD1 3.17Å; Y20-I328 HydrophobicContact CE2-CG2 3.66Å
21G98.3Very high96.9Very high0 Ų035 Ų350%020%0.202CC..Hα-helixtrans-66.4-35.3178.300000112.9G17 D18 L23 Y24 E25 T299G17-G21 WeakPolarHBondContact O-CA 3.22Å; G17-G21 PolarHBondContact O-N 3.46Å; D18-G21 CarbonylContact O-C 3.52Å; D18-G21 PolarHBondContact O-N 3.14Å; G21-L23 VanDerWaalsContact C-N 3.25Å; G21-L23 PolarHBondContact O-N 3Å; G21-Y24 PolarHBondContact O-N 3.45Å; G21-E25 PolarHBondContact O-N 3.34Å; G21-T299 PolarHBondContact O-OG1 2.94Å
22F98Very high96.8Very high31 Ų3136.6 Ų36.614%0.13621%0.208CC..Hα-helixtrans-64.2-29.9-174.7-174.9-138.8000112.7D18 Y20 Y24 E25 M52 C94 D300D18-F22 VanDerWaalsContact O-CB 3.26Å; D18-F22 WeakPolarHBondContact O-CB 3.43Å; D18-F22 PolarHBondContact O-N 3.07Å; Y20-F22 VanDerWaalsContact C-N 3.35Å; F22-Y24 PolarHBondContact O-N 3.39Å; F22-E25 HydrophobicContact CD2-CB 4.25Å; F22-E25 WeakPolarHBondContact CD2-OE2 3.09Å; F22-E25 WeakPolarHBondContact CE2-OE2 3.32Å; F22-E25 PolarHBondContact O-N 2.87Å; F22-M52 HydrophobicContact CD1-CB 4.48Å; F22-M52 HydrophobicContact CE1-CB 4.42Å; F22-M52 HydrophobicContact CE1-CG 4.3Å; F22-M52 HydrophobicContact CE1-SD 4.09Å; F22-C94 HydrophobicContact CE2-CB 3.67Å; F22-C94 WeakPolarHBondContact CE2-SG 3.47Å; F22-C94 HydrophobicContact CZ-CB 4.1Å; F22-C94 VanDerWaalsContact CZ-SG 3.57Å; F22-D300 HydrophobicContact CB-CB 4.05Å
23L97.2Very high96.7Very high70 Ų7039.8 Ų39.837%0.36623%0.231SC..THydrogen-bonded Turntrans-60.5-18.8172.9-61.3177.3000113.6G21 K27 L38 L51G21-L23 VanDerWaalsContact C-N 3.25Å; G21-L23 PolarHBondContact O-N 3Å; L23-K27 PolarHBondContact O-NZ 3.49Å; L23-L38 HydrophobicContact CD1-CD2 3.44Å; L23-L38 VanDerWaalsContact CD1-CD2 3.44Å; L23-L51 HydrophobicContact CD1-CD2 3.92Å; L23-L51 HydrophobicContact CD2-CD2 4.46Å
24Y97.5Very high96.6Very high29 Ų2942.5 Ų42.511%0.11425%0.247CC..THydrogen-bonded Turntrans-119.75.6-175.5-57.6-91.8000113.6Y20 G21 F22 G26 K27 V30 T34 L38 I293 T299Y20-Y24 WeakPolarHBondContact O-CD2 3.42Å; G21-Y24 PolarHBondContact O-N 3.45Å; F22-Y24 PolarHBondContact O-N 3.39Å; Y24-G26 PolarHBondContact O-N 3.28Å; Y24-K27 HydrophobicContact CD1-CD 4.46Å; Y24-K27 VanDerWaalsContact O-CB 3.25Å; Y24-K27 WeakPolarHBondContact O-CB 3.46Å; Y24-K27 WeakPolarHBondContact O-CG 3.47Å; Y24-K27 PolarHBondContact O-N 2.93Å; Y24-K27 VanDerWaalsContact O-N 3.12Å; Y24-V30 HydrophobicContact CD1-CG2 4.44Å; Y24-T34 HydrophobicContact CE1-CG2 3.84Å; Y24-L38 HydrophobicContact CE2-CD2 4.24Å; Y24-I293 HydrophobicContact CD1-CG2 3.82Å; Y24-I293 HydrophobicContact CD2-CB 4.42Å; Y24-I293 HydrophobicContact CD2-CD1 3.81Å; Y24-I293 HydrophobicContact CD2-CG1 3.98Å; Y24-I293 HydrophobicContact CD2-CG2 3.54Å; Y24-I293 HydrophobicContact CE1-CG2 4.25Å; Y24-I293 HydrophobicContact CE2-CD1 3.99Å; Y24-I293 HydrophobicContact CE2-CG2 3.99Å; Y24-I293 HydrophobicContact CG-CG2 3.45Å; Y24-I293 VanDerWaalsContact CG-CG2 3.45Å; Y24-T299 PolarHBondContact O-OG1 3.12Å
25E96.2Very high96.4Very high57 Ų5742.2 Ų42.227%0.26624%0.244SC..THydrogen-bonded Turntrans-54.5135.7-178.1-170.5-162167.900111.3G21 F22 K27 C94 T299 D300G21-E25 PolarHBondContact O-N 3.34Å; F22-E25 HydrophobicContact CD2-CB 4.25Å; F22-E25 WeakPolarHBondContact CD2-OE2 3.09Å; F22-E25 WeakPolarHBondContact CE2-OE2 3.32Å; F22-E25 PolarHBondContact O-N 2.87Å; E25-K27 PolarHBondContact O-N 3.3Å; E25-K27 VanDerWaalsContact O-N 3.12Å; E25-C94 WeakPolarHBondContact OE2-CB 3.47Å; E25-T299 WeakPolarHBondContact CA-OG1 3.35Å; E25-T299 PolarHBondContact N-OG1 2.78Å; E25-T299 VanDerWaalsContact N-OG1 3.13Å; E25-D300 WeakPolarHBondContact CG-OD1 3.28Å
26G94.2Very high96.3Very high67 Ų6743 Ų4369%0.69125%0.248SC*.THydrogen-bonded Turntrans72.6-1.5177.500000114.7Y24 G297Y24-G26 PolarHBondContact O-N 3.28Å; G26-G297 PolarHBondContact N-O 3.44Å
27K94.9Very high96.1Very high99 Ų9948.5 Ų48.543%0.4327%0.274SS..PPolyproline II helixtrans-81.9152.1179.4-62-177.2-172.6161.70111.2L23 Y24 E25 G297L23-K27 PolarHBondContact O-NZ 3.49Å; Y24-K27 HydrophobicContact CD1-CD 4.46Å; Y24-K27 VanDerWaalsContact O-CB 3.25Å; Y24-K27 WeakPolarHBondContact O-CB 3.46Å; Y24-K27 WeakPolarHBondContact O-CG 3.47Å; Y24-K27 PolarHBondContact O-N 2.93Å; Y24-K27 VanDerWaalsContact O-N 3.12Å; E25-K27 PolarHBondContact O-N 3.3Å; E25-K27 VanDerWaalsContact O-N 3.12Å; K27-G297 PolarHBondContact O-N 3.25Å
28P93.6Very high96Very high108 Ų10849.5 Ų49.570%0.70128%0.279SS*.PPolyproline II helixtrans-61.3164.1167.828.9-36000110.9V30P28-V30 PolarHBondContact O-N 2.92Å
29A92.8Very high95.8Very high55 Ų5549.5 Ų49.546%0.45528%0.279SS..PPolyproline II helixtrans-48.5134.217400000112V245 G294A29-V245 HydrophobicContact CB-CG1 3.69Å; A29-G294 WeakPolarHBondContact CA-O 3.49Å; A29-G294 VanDerWaalsContact CB-O 3.3Å; A29-G294 WeakPolarHBondContact CB-O 3.35Å
30V92.3Very high95.6Very high40 Ų4052.9 Ų52.924%0.24230%0.295CS..  trans-113.5160.1178-61.20000110.6Y24 P28 I293 G294Y24-V30 HydrophobicContact CD1-CG2 4.44Å; P28-V30 PolarHBondContact O-N 2.92Å; V30-I293 HydrophobicContact CG2-CG2 3.75Å; V30-G294 PolarHBondContact N-O 3.23Å; V30-G294 WeakPolarHBondContact O-CA 3.36Å
31K95.2Very high95.5Very high161 Ų16157.5 Ų57.570%0.731%0.312SS*.  trans-63.4141172.7-65.8-178.2178.9-179.60109.9S33 T34 P35K31-S33 PolarHBondContact O-N 2.83Å; K31-S33 VanDerWaalsContact O-N 3.12Å; K31-T34 WeakPolarHBondContact O-CB 3.4Å; K31-T34 PolarHBondContact O-N 3.13Å; K31-T34 PolarHBondContact O-OG1 2.86Å; K31-P35 WeakPolarHBondContact O-CD 3.47Å
32F95.9Very high95.3Very high41 Ų4157.6 Ų57.618%0.1831%0.313CS..THydrogen-bonded Turntrans-57-28.5177.5-62.1-26.4000113.5T34 P35 L36 V245 I279 V290 L291F32-T34 PolarHBondContact O-N 2.94Å; F32-P35 VanDerWaalsContact O-CD 3.31Å; F32-P35 WeakPolarHBondContact O-CD 3.31Å; F32-P35 WeakPolarHBondContact O-CG 3.48Å; F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 PolarHBondContact O-N 3.41Å; F32-L36 VanDerWaalsContact O-N 3.08Å; F32-V245 HydrophobicContact CE1-CG2 4.06Å; F32-V245 HydrophobicContact CZ-CG2 3.9Å; F32-I279 HydrophobicContact CB-CG1 4.18Å; F32-I279 HydrophobicContact CD2-CD1 4.01Å; F32-I279 HydrophobicContact CD2-CG1 3.73Å; F32-I279 HydrophobicContact CE2-CD1 4.18Å; F32-I279 HydrophobicContact CE2-CG1 4.31Å; F32-I279 HydrophobicContact CG-CD1 4.2Å; F32-I279 HydrophobicContact CG-CG1 4.02Å; F32-V290 HydrophobicContact CB-CG1 3.84Å; F32-V290 HydrophobicContact CD1-CG1 4.34Å; F32-V290 HydrophobicContact CG-CG1 4.24Å; F32-L291 HydrophobicContact CE1-CD1 3.93Å; F32-L291 HydrophobicContact CZ-CD1 3.69Å
33S95.8Very high95Very high68 Ų6857.8 Ų57.848%0.47632%0.315SS..Hα-helixtrans-56.9-29.4174.759.50000113.4K31 E37K31-S33 PolarHBondContact O-N 2.83Å; K31-S33 VanDerWaalsContact O-N 3.12Å; S33-E37 WeakPolarHBondContact O-CB 3.47Å; S33-E37 PolarHBondContact O-N 2.92Å
34T96Very high94.8Very high57 Ų5759.8 Ų59.835%0.3533%0.326SS..Hα-helixtrans-68-59-177.3-56.20000112.5Y24 K31 F32 L36 E37 L38Y24-T34 HydrophobicContact CE1-CG2 3.84Å; K31-T34 WeakPolarHBondContact O-CB 3.4Å; K31-T34 PolarHBondContact O-N 3.13Å; K31-T34 PolarHBondContact O-OG1 2.86Å; F32-T34 PolarHBondContact O-N 2.94Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.89Å; T34-E37 PolarHBondContact O-N 3.49Å; T34-L38 PolarHBondContact O-N 3.32Å
35P96.3Very high94.5Very high1 Ų160.3 Ų60.31%0.00634%0.34CS..Hα-helixtrans-67.5-27.9173.226.6-35.6000113K31 F32 L38 L39 V290 I293K31-P35 WeakPolarHBondContact O-CD 3.47Å; F32-P35 VanDerWaalsContact O-CD 3.31Å; F32-P35 WeakPolarHBondContact O-CD 3.31Å; F32-P35 WeakPolarHBondContact O-CG 3.48Å; P35-L38 PolarHBondContact O-N 3.48Å; P35-L39 PolarHBondContact O-N 2.78Å; P35-V290 HydrophobicContact CB-CG2 4.49Å; P35-V290 HydrophobicContact CG-CB 4.45Å; P35-V290 HydrophobicContact CG-CG1 4.06Å; P35-I293 HydrophobicContact CB-CB 4.06Å; P35-I293 HydrophobicContact CB-CD1 3.72Å; P35-I293 HydrophobicContact CB-CG2 3.85Å; P35-I293 HydrophobicContact CG-CB 4.05Å; P35-I293 HydrophobicContact CG-CG2 3.77Å
36L95.3Very high94.4Very high17 Ų1762.6 Ų62.69%0.08935%0.354CS..Hα-helixtrans-59.4-48.7173.9-171.883.9000111F32 T34 L38 L39 Q40 I279 F281 V290F32-L36 WeakPolarHBondContact O-CB 3.27Å; F32-L36 PolarHBondContact O-N 3.41Å; F32-L36 VanDerWaalsContact O-N 3.08Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.89Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.31Å; L36-L39 PolarHBondContact O-N 2.84Å; L36-Q40 WeakPolarHBondContact O-CB 3.34Å; L36-Q40 VanDerWaalsContact O-CG 3.3Å; L36-Q40 WeakPolarHBondContact O-CG 3.23Å; L36-Q40 PolarHBondContact O-N 3.16Å; L36-I279 HydrophobicContact CD1-CG2 4.49Å; L36-F281 HydrophobicContact CD1-CD2 3.83Å; L36-F281 HydrophobicContact CD1-CE2 3.45Å; L36-F281 VanDerWaalsContact CD1-CE2 3.45Å; L36-F281 HydrophobicContact CD1-CZ 3.96Å; L36-F281 HydrophobicContact CG-CE2 4.45Å; L36-V290 HydrophobicContact CD1-CG2 4.49Å
37E95.5Very high94.3Very high116 Ų11661.4 Ų61.454%0.54233%0.33SS..Hα-helixtrans-59.7-43.9178.5-176-178.1171.500111.3S33 T34 Q40 R41S33-E37 WeakPolarHBondContact O-CB 3.47Å; S33-E37 PolarHBondContact O-N 2.92Å; T34-E37 PolarHBondContact O-N 3.49Å; E37-Q40 PolarHBondContact O-N 3.49Å; E37-R41 HydrophobicContact CG-CG 4.41Å; E37-R41 WeakPolarHBondContact O-CB 3.43Å; E37-R41 WeakPolarHBondContact O-CG 3.39Å; E37-R41 PolarHBondContact O-N 3.02Å
38L95.2Very high94.1Very high22 Ų2262.6 Ų62.612%0.11535%0.346CS..Hα-helixtrans-61.3-45.6177.4178.165.4000112.2Y20 L23 Y24 T34 P35 L36 R41 S42 E47Y20-L38 HydrophobicContact CD1-CD2 3.83Å; Y20-L38 HydrophobicContact CD1-CG 4.24Å; Y20-L38 HydrophobicContact CE1-CD2 4.16Å; Y20-L38 HydrophobicContact CE1-CG 4.1Å; L23-L38 HydrophobicContact CD1-CD2 3.44Å; L23-L38 VanDerWaalsContact CD1-CD2 3.44Å; Y24-L38 HydrophobicContact CE2-CD2 4.24Å; T34-L38 PolarHBondContact O-N 3.32Å; P35-L38 PolarHBondContact O-N 3.48Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.31Å; L38-R41 PolarHBondContact O-N 3.06Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 2.88Å; L38-S42 PolarHBondContact O-OG 3.22Å; L38-E47 HydrophobicContact CD1-CG 3.83Å
39L95.6Very high94.1Very high0 Ų065.3 Ų65.30%035%0.346CS..Hα-helixtrans-65.4-41.7177-79.6168.6000111.6Y20 P35 L36 R41 S42 I43 F281 L286 I289 V290 I328Y20-L39 HydrophobicContact CD1-CD2 3.86Å; Y20-L39 HydrophobicContact CD1-CG 4.26Å; Y20-L39 HydrophobicContact CD2-CD2 4.4Å; Y20-L39 HydrophobicContact CE1-CD2 3.55Å; Y20-L39 HydrophobicContact CE1-CG 4.17Å; Y20-L39 HydrophobicContact CE2-CD2 4.13Å; Y20-L39 HydrophobicContact CG-CD2 4.28Å; P35-L39 PolarHBondContact O-N 2.78Å; L36-L39 PolarHBondContact O-N 2.84Å; L39-R41 PolarHBondContact O-N 2.73Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.5Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.27Å; L39-F281 HydrophobicContact CB-CE2 3.86Å; L39-F281 HydrophobicContact CB-CZ 3.68Å; L39-F281 HydrophobicContact CD1-CE2 3.74Å; L39-F281 HydrophobicContact CD1-CZ 4.38Å; L39-F281 HydrophobicContact CG-CE2 4.47Å; L39-L286 HydrophobicContact CD2-CD2 4.21Å; L39-I289 HydrophobicContact CD1-CB 4.29Å; L39-I289 HydrophobicContact CD1-CG2 3.99Å; L39-V290 HydrophobicContact CD1-CG2 3.57Å; L39-I328 HydrophobicContact CD2-CG2 4.27Å
40Q94.4Very high94.2Very high70 Ų7068.4 Ų68.433%0.32735%0.351SS..Hα-helixtrans-62.2-42.1175.2-74.5174.3-19.900111.7L36 E37 S42 I43 N44 F281L36-Q40 WeakPolarHBondContact O-CB 3.34Å; L36-Q40 VanDerWaalsContact O-CG 3.3Å; L36-Q40 WeakPolarHBondContact O-CG 3.23Å; L36-Q40 PolarHBondContact O-N 3.16Å; E37-Q40 PolarHBondContact O-N 3.49Å; Q40-S42 VanDerWaalsContact C-N 3.33Å; Q40-S42 PolarHBondContact O-N 3.11Å; Q40-I43 PolarHBondContact O-N 3.11Å; Q40-N44 WeakPolarHBondContact O-CB 3.18Å; Q40-N44 VanDerWaalsContact O-CG 3.25Å; Q40-N44 PolarHBondContact O-N 3.21Å; Q40-N44 PolarHBondContact O-ND2 2.98Å; Q40-F281 HydrophobicContact CG-CE1 4.47Å; Q40-F281 HydrophobicContact CG-CZ 4.15Å
41R95Very high94.5Very high99 Ų9967 Ų6737%0.37434%0.343SS..Hα-helixtrans-63.7-38.9174.4-70.2167.958.785.514.3111.6E37 L38 L39 N44 G45 L46 E47E37-R41 HydrophobicContact CG-CG 4.41Å; E37-R41 WeakPolarHBondContact O-CB 3.43Å; E37-R41 WeakPolarHBondContact O-CG 3.39Å; E37-R41 PolarHBondContact O-N 3.02Å; L38-R41 PolarHBondContact O-N 3.06Å; L39-R41 PolarHBondContact O-N 2.73Å; R41-N44 PolarHBondContact O-N 3.31Å; R41-G45 PolarHBondContact O-N 3.38Å; R41-L46 HydrophobicContact CB-CB 4.14Å; R41-L46 HydrophobicContact CG-CD1 4.47Å; R41-L46 WeakPolarHBondContact O-CB 3.47Å; R41-L46 PolarHBondContact O-N 3.24Å; R41-E47 HydrophobicContact CB-CG 3.77Å; R41-E47 IonicContact CZ-OE1 2.76Å; R41-E47 IonicContact NE-OE1 2.67Å; R41-E47 PolarHBondContact NE-OE1 2.98Å; R41-E47 IonicContact NH2-OE1 3.13Å; R41-E47 PolarHBondContact NH2-OE1 3.05Å; R41-E47 PolarHBondContact O-N 3.12Å
42S94.9Very high94.6Very high1 Ų163.3 Ų63.31%0.00733%0.329CS..Hα-helixtrans-63.3-46.8174-57.20000112.3Y20 L38 L39 Q40 N44 G45 N327Y20-S42 WeakPolarHBondContact OH-CB 3.28Å; Y20-S42 PolarHBondContact OH-OG 3.45Å; L38-S42 WeakPolarHBondContact O-CB 3.34Å; L38-S42 PolarHBondContact O-N 2.88Å; L38-S42 PolarHBondContact O-OG 3.22Å; L39-S42 WeakPolarHBondContact O-CB 3.43Å; L39-S42 PolarHBondContact O-N 3.5Å; Q40-S42 VanDerWaalsContact C-N 3.33Å; Q40-S42 PolarHBondContact O-N 3.11Å; S42-N44 VanDerWaalsContact C-N 3.31Å; S42-N44 PolarHBondContact O-N 3.39Å; S42-G45 PolarHBondContact O-N 3.25Å; S42-G45 VanDerWaalsContact O-N 3.11Å; S42-N327 WeakPolarHBondContact O-CB 3.41Å
43I92.1Very high94.7Very high36 Ų3662.3 Ų62.319%0.18532%0.324CS..Hα-helixtrans-55.3-48175.4-75.7165.5000110.7L39 Q40 G45 F281 L286 L325 N327 I328L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 VanDerWaalsContact O-CG1 3.27Å; L39-I43 WeakPolarHBondContact O-CG1 3.49Å; L39-I43 PolarHBondContact O-N 3.27Å; Q40-I43 PolarHBondContact O-N 3.11Å; I43-G45 PolarHBondContact O-N 2.82Å; I43-F281 HydrophobicContact CD1-CD1 4.48Å; I43-F281 HydrophobicContact CD1-CE1 3.52Å; I43-F281 HydrophobicContact CD1-CZ 4Å; I43-L286 HydrophobicContact CD1-CD1 4.4Å; I43-L325 HydrophobicContact CB-CD1 4.24Å; I43-L325 HydrophobicContact CG1-CD1 4.16Å; I43-L325 HydrophobicContact CG2-CD1 3.49Å; I43-L325 VanDerWaalsContact CG2-CD1 3.49Å; I43-N327 PolarHBondContact O-ND2 3.13Å; I43-N327 VanDerWaalsContact O-ND2 3.17Å; I43-I328 HydrophobicContact CD1-CD1 3.9Å; I43-I328 HydrophobicContact CG1-CD1 3.35Å; I43-I328 HydrophobicContact CG1-CG1 3.75Å
44N92.7Very high94.8Very high112 Ų11259 Ų5960%0.59930%0.301SS*.THydrogen-bonded Turntrans-77.83.6-177.7-65.7-33.7000113.9Q40 R41 S42 L46Q40-N44 WeakPolarHBondContact O-CB 3.18Å; Q40-N44 VanDerWaalsContact O-CG 3.25Å; Q40-N44 PolarHBondContact O-N 3.21Å; Q40-N44 PolarHBondContact O-ND2 2.98Å; R41-N44 PolarHBondContact O-N 3.31Å; S42-N44 VanDerWaalsContact C-N 3.31Å; S42-N44 PolarHBondContact O-N 3.39Å; N44-L46 HydrophobicContact CB-CD1 4.29Å; N44-L46 HydrophobicContact CB-CG 4.13Å; N44-L46 PolarHBondContact O-N 3.43Å
45G91.5Very high95Very high39 Ų3957.2 Ų57.240%0.40229%0.289SS..THydrogen-bonded Turntrans68.318.5-179.600000114.3R41 S42 I43R41-G45 PolarHBondContact O-N 3.38Å; S42-G45 PolarHBondContact O-N 3.25Å; S42-G45 VanDerWaalsContact O-N 3.11Å; I43-G45 PolarHBondContact O-N 2.82Å
46L93.9Very high95.1Very high106 Ų10657.1 Ų57.156%0.55529%0.289SS*.  trans-84.5-25.1176.7-60.2177.7000112.1R41 N44R41-L46 HydrophobicContact CB-CB 4.14Å; R41-L46 HydrophobicContact CG-CD1 4.47Å; R41-L46 WeakPolarHBondContact O-CB 3.47Å; R41-L46 PolarHBondContact O-N 3.24Å; N44-L46 HydrophobicContact CB-CD1 4.29Å; N44-L46 HydrophobicContact CB-CG 4.13Å; N44-L46 PolarHBondContact O-N 3.43Å
47E92.3Very high95.2Very high41 Ų4156.5 Ų56.519%0.19229%0.286CS..  trans-84.6124.5165.4-65.6-53.6127.600109.8L38 R41 L331L38-E47 HydrophobicContact CD1-CG 3.83Å; R41-E47 HydrophobicContact CB-CG 3.77Å; R41-E47 IonicContact CZ-OE1 2.76Å; R41-E47 IonicContact NE-OE1 2.67Å; R41-E47 PolarHBondContact NE-OE1 2.98Å; R41-E47 IonicContact NH2-OE1 3.13Å; R41-E47 PolarHBondContact NH2-OE1 3.05Å; R41-E47 PolarHBondContact O-N 3.12Å; E47-L331 HydrophobicContact CB-CD1 3.93Å
48T89.8Confident95.4Very high125 Ų12551.1 Ų51.177%0.76726%0.261SS*.  trans-123.4-11.118058.40000112.9
49K93.7Very high95.6Very high164 Ų16450.2 Ų50.271%0.71326%0.256SS*.SBendtrans-77.6126.5177.7-173.3-178.5176.2-174.30109.1L51K49-L51 PolarHBondContact O-N 3.49Å
50Q95.9Very high95.7Very high120 Ų12050.7 Ų50.756%0.56126%0.259SS*.PPolyproline II helixtrans-58.3131.4172.2-172176.465.900110.2L331 E333Q50-L331 CarbonylContact C-O 3.34Å; Q50-L331 WeakPolarHBondContact CA-O 3.3Å; Q50-L331 WeakPolarHBondContact CG-O 3.49Å; Q50-E333 HydrophobicContact CG-CB 4.02Å
51L97.5Very high95.9Very high12 Ų1247.4 Ų47.46%0.06324%0.244CC..BIsolated β-bridgetrans-84.7122.4175.3-59.6-177.6000108.8C19 Y20 L23 K49 L331 E333C19-L51 HydrophobicContact CB-CB 3.86Å; Y20-L51 HydrophobicContact CD1-CD1 3.79Å; Y20-L51 HydrophobicContact CD2-CD1 3.82Å; Y20-L51 HydrophobicContact CE1-CD1 3.53Å; Y20-L51 HydrophobicContact CE2-CD1 3.56Å; Y20-L51 HydrophobicContact CG-CD1 3.93Å; L23-L51 HydrophobicContact CD1-CD2 3.92Å; L23-L51 HydrophobicContact CD2-CD2 4.46Å; K49-L51 PolarHBondContact O-N 3.49Å; L51-L331 HydrophobicContact CG-CB 4.41Å; L51-L331 PolarHBondContact N-O 2.95Å; L51-E333 VanDerWaalsContact O-CB 3.27Å; L51-E333 WeakPolarHBondContact O-CB 3.45Å; L51-E333 PolarHBondContact O-N 3.37Å
52M97.5Very high96.1Very high83 Ų8342.7 Ų42.741%0.40923%0.226SC..PPolyproline II helixtrans-73.6142.6178.1-168.2-174.7-38.500109.8F22 H92 E333F22-M52 HydrophobicContact CD1-CB 4.48Å; F22-M52 HydrophobicContact CE1-CB 4.42Å; F22-M52 HydrophobicContact CE1-CG 4.3Å; F22-M52 HydrophobicContact CE1-SD 4.09Å; M52-H92 HydrophobicContact SD-CB 4.1Å; M52-E333 WeakPolarHBondContact CA-OE2 3.41Å; M52-E333 WeakPolarHBondContact CG-OE2 3.19Å
53Y98.4Very high96.3Very high19 Ų1942.7 Ų42.78%0.07523%0.226CC..PPolyproline II helixtrans-89.8157.6170.169.4-106.1000111.5T57 Q58 R93 E333 S334Y53-T57 HydrophobicContact CD1-CG2 4.14Å; Y53-T57 HydrophobicContact CD2-CG2 3.87Å; Y53-T57 HydrophobicContact CE2-CG2 4.43Å; Y53-T57 HydrophobicContact CG-CG2 3.73Å; Y53-Q58 HydrophobicContact CD2-CB 4.38Å; Y53-Q58 HydrophobicContact CE2-CB 3.69Å; Y53-Q58 HydrophobicContact CE2-CG 4.08Å; Y53-R93 WeakPolarHBondContact O-CD 3.47Å; Y53-R93 PolarHBondContact O-NH1 3.23Å; Y53-R93 PolarHBondContact OH-NH2 2.71Å; Y53-E333 HydrophobicContact CD1-CB 3.75Å; Y53-E333 HydrophobicContact CD1-CG 3.64Å; Y53-E333 WeakPolarHBondContact CD1-OE2 3.48Å; Y53-E333 HydrophobicContact CE1-CB 4.31Å; Y53-E333 HydrophobicContact CE1-CG 3.66Å; Y53-E333 WeakPolarHBondContact CE1-OE1 3.39Å; Y53-E333 PolarHBondContact N-OE2 3.1Å; Y53-S334 VanDerWaalsContact CE1-OG 3.23Å; Y53-S334 WeakPolarHBondContact CE1-OG 3.44Å
54S98.5Very high96.6Very high0 Ų041 Ų410%022%0.217CC..  trans-94.8-160.7179.280.90000113.1D18 D56 Q58 R93 D300D18-S54 WeakPolarHBondContact OD1-CB 3.29Å; D18-S54 PolarHBondContact OD1-N 2.83Å; D18-S54 PolarHBondContact OD1-OG 3.05Å; D18-S54 VanDerWaalsContact OD1-OG 3.13Å; D18-S54 PolarHBondContact OD2-N 3.14Å; D18-S54 VanDerWaalsContact OD2-N 3.13Å; S54-D56 PolarHBondContact O-N 2.82Å; S54-D56 WeakPolarHBondContact OG-CB 3.47Å; S54-D56 PolarHBondContact OG-N 2.61Å; S54-D56 PolarHBondContact OG-OD1 2.93Å; S54-Q58 PolarHBondContact O-N 3.3Å; S54-R93 CarbonylContact C-O 3.52Å; S54-D300 VanDerWaalsContact CB-OD2 3.31Å; S54-D300 WeakPolarHBondContact CB-OD2 3.42Å; S54-D300 PolarHBondContact OG-OD2 3.24Å
55D98.4Very high96.9Very high18 Ų1838 Ų3810%0.09620%0.198CC..Hα-helixtrans-68.3-20.7174.259-45.4000112.4Q58 M59 R93 Y95 M134D55-Q58 PolarHBondContact O-N 2.89Å; D55-M59 WeakPolarHBondContact O-CB 3.41Å; D55-M59 VanDerWaalsContact O-CG 3.25Å; D55-M59 WeakPolarHBondContact O-CG 3.3Å; D55-M59 PolarHBondContact O-N 2.95Å; D55-R93 HydrophobicContact CB-CB 4.41Å; D55-R93 WeakPolarHBondContact CB-O 3.45Å; D55-R93 PolarHBondContact N-O 2.54Å; D55-Y95 HydrophobicContact CB-CD1 3.48Å; D55-Y95 VanDerWaalsContact CB-CD1 3.48Å; D55-Y95 HydrophobicContact CB-CD2 3.98Å; D55-Y95 HydrophobicContact CB-CE1 3.52Å; D55-Y95 HydrophobicContact CB-CE2 3.98Å; D55-Y95 HydrophobicContact CB-CG 3.74Å; D55-Y95 WeakPolarHBondContact OD2-CA 3.36Å; D55-M134 HydrophobicContact CB-CE 4.19Å; D55-M134 WeakPolarHBondContact OD2-CE 3.49Å
56D98.7Very high97.2Very high0 Ų036.2 Ų36.20%018%0.179CC..Hα-helixtrans-48.9-63.2171.6-80.849.7000113D18 S54 S60 M134 T301 C304D18-D56 HydrophobicContact CB-CB 4.15Å; D18-D56 WeakPolarHBondContact OD2-CB 3.39Å; S54-D56 PolarHBondContact O-N 2.82Å; S54-D56 WeakPolarHBondContact OG-CB 3.47Å; S54-D56 PolarHBondContact OG-N 2.61Å; S54-D56 PolarHBondContact OG-OD1 2.93Å; D56-S60 WeakPolarHBondContact O-CB 3.48Å; D56-S60 PolarHBondContact O-N 3.4Å; D56-S60 VanDerWaalsContact O-N 3.13Å; D56-S60 PolarHBondContact O-OG 2.89Å; D56-M134 HydrophobicContact CB-CG 4.48Å; D56-M134 HydrophobicContact CB-SD 4.48Å; D56-M134 WeakPolarHBondContact OD2-CB 3.43Å; D56-T301 PolarHBondContact OD1-OG1 3.14Å; D56-T301 VanDerWaalsContact OD2-CA 3.25Å; D56-T301 WeakPolarHBondContact OD2-CA 3.48Å; D56-C304 HydrophobicContact CB-CB 4.49Å; D56-C304 VanDerWaalsContact OD2-CB 3.24Å; D56-C304 WeakPolarHBondContact OD2-CB 3.38Å
57T98.8Very high97.4Very high4 Ų431.2 Ų31.23%0.02515%0.153CC..Hα-helixtrans-71.1-35.8177.9-64.40000111L15 D18 Y53 M59 S60 L61L15-T57 HydrophobicContact CD1-CG2 3.74Å; D18-T57 WeakPolarHBondContact OD2-CB 3.29Å; D18-T57 PolarHBondContact OD2-N 3.38Å; D18-T57 PolarHBondContact OD2-OG1 3.14Å; Y53-T57 HydrophobicContact CD1-CG2 4.14Å; Y53-T57 HydrophobicContact CD2-CG2 3.87Å; Y53-T57 HydrophobicContact CE2-CG2 4.43Å; Y53-T57 HydrophobicContact CG-CG2 3.73Å; T57-M59 PolarHBondContact O-N 2.9Å; T57-S60 WeakPolarHBondContact O-CB 3.43Å; T57-S60 PolarHBondContact O-N 3.34Å; T57-S60 VanDerWaalsContact O-N 3.14Å; T57-L61 HydrophobicContact CG2-CD1 3.93Å; T57-L61 HydrophobicContact CG2-CG 4.16Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 3.48Å
58Q98.6Very high97.7Very high2 Ų234 Ų341%0.00916%0.162CC..Hα-helixtrans-59.2-49.6-179.7-157.816755.200111.3Y53 S54 D55 S60 L61 A62 D85 N89 Y95Y53-Q58 HydrophobicContact CD2-CB 4.38Å; Y53-Q58 HydrophobicContact CE2-CB 3.69Å; Y53-Q58 HydrophobicContact CE2-CG 4.08Å; S54-Q58 PolarHBondContact O-N 3.3Å; D55-Q58 PolarHBondContact O-N 2.89Å; Q58-S60 VanDerWaalsContact C-N 3.3Å; Q58-S60 PolarHBondContact O-N 3.44Å; Q58-L61 PolarHBondContact O-N 2.89Å; Q58-A62 PolarHBondContact O-N 3.35Å; Q58-A62 VanDerWaalsContact O-N 3.09Å; Q58-D85 HydrophobicContact CG-CB 3.91Å; Q58-D85 WeakPolarHBondContact CG-OD2 3.28Å; Q58-N89 PolarHBondContact NE2-O 3.41Å; Q58-Y95 PolarHBondContact OE1-OH 3.39Å
59M98.6Very high98.1Very high3 Ų331.2 Ų31.22%0.01515%0.151CC..Hα-helixtrans-69.4-30178.4-62.9-159.379.400111.9D55 T57 A62 I63 F82 Y95 F103 M134 R135 T162D55-M59 WeakPolarHBondContact O-CB 3.41Å; D55-M59 VanDerWaalsContact O-CG 3.25Å; D55-M59 WeakPolarHBondContact O-CG 3.3Å; D55-M59 PolarHBondContact O-N 2.95Å; T57-M59 PolarHBondContact O-N 2.9Å; M59-A62 PolarHBondContact O-N 2.71Å; M59-I63 WeakPolarHBondContact O-CG1 3.46Å; M59-I63 PolarHBondContact O-N 3.09Å; M59-F82 HydrophobicContact CB-CD1 4.41Å; M59-F82 HydrophobicContact CB-CE1 4.05Å; M59-F82 HydrophobicContact CE-CB 4.26Å; M59-F82 HydrophobicContact CE-CD1 3.49Å; M59-F82 VanDerWaalsContact CE-CD1 3.49Å; M59-F82 HydrophobicContact CE-CD2 3.77Å; M59-F82 HydrophobicContact CE-CE1 3.61Å; M59-F82 HydrophobicContact CE-CE2 3.86Å; M59-F82 HydrophobicContact CE-CG 3.59Å; M59-F82 HydrophobicContact CE-CZ 3.8Å; M59-F82 WeakPolarHBondContact O-CE1 3.26Å; M59-Y95 HydrophobicContact CG-CE1 3.81Å; M59-Y95 HydrophobicContact SD-CE1 3.93Å; M59-F103 HydrophobicContact CE-CE1 4.43Å; M59-F103 HydrophobicContact CE-CZ 3.77Å; M59-M134 HydrophobicContact CB-CE 4.25Å; M59-M134 HydrophobicContact CG-CE 3.99Å; M59-M134 HydrophobicContact SD-CE 3.59Å; M59-M134 VanDerWaalsContact SD-CE 3.59Å; M59-R135 HydrophobicContact CB-CB 3.84Å; M59-R135 HydrophobicContact CB-CG 4.39Å; M59-R135 PolarHBondContact SD-NH1 3.23Å; M59-R135 VanDerWaalsContact SD-NH1 3.36Å; M59-T162 HydrophobicContact CE-CG2 4.28Å
60S98.8Very high98.3Very high11 Ų1129.5 Ų29.58%0.07714%0.14CC..Hα-helixtrans-63.9-44.6172.1-64.50000112.2D56 T57 Q58 A62 I63 L64 R135D56-S60 WeakPolarHBondContact O-CB 3.48Å; D56-S60 PolarHBondContact O-N 3.4Å; D56-S60 VanDerWaalsContact O-N 3.13Å; D56-S60 PolarHBondContact O-OG 2.89Å; T57-S60 WeakPolarHBondContact O-CB 3.43Å; T57-S60 PolarHBondContact O-N 3.34Å; T57-S60 VanDerWaalsContact O-N 3.14Å; Q58-S60 VanDerWaalsContact C-N 3.3Å; Q58-S60 PolarHBondContact O-N 3.44Å; S60-A62 PolarHBondContact O-N 2.91Å; S60-I63 WeakPolarHBondContact O-CB 3.43Å; S60-I63 PolarHBondContact O-N 3.27Å; S60-L64 WeakPolarHBondContact O-CG 3.17Å; S60-L64 PolarHBondContact O-N 3.15Å; S60-R135 WeakPolarHBondContact OG-CA 3.39Å
61L98.7Very high98.3Very high1 Ų128.6 Ų28.61%0.00514%0.139CC..Hα-helixtrans-62.9-39.8176.4-74.7170.6000111.9T57 Q58 I63 L64 R65 E337 I338 Y341T57-L61 HydrophobicContact CG2-CD1 3.93Å; T57-L61 HydrophobicContact CG2-CG 4.16Å; T57-L61 WeakPolarHBondContact O-CG 3.44Å; T57-L61 PolarHBondContact O-N 3.48Å; Q58-L61 PolarHBondContact O-N 2.89Å; L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 3.47Å; L61-L64 HydrophobicContact CD2-CD1 4.34Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.48Å; L61-R65 PolarHBondContact O-N 3.37Å; L61-E337 HydrophobicContact CD2-CG 3.93Å; L61-I338 HydrophobicContact CD2-CD1 3.49Å; L61-I338 VanDerWaalsContact CD2-CD1 3.49Å; L61-I338 HydrophobicContact CD2-CG1 4.06Å; L61-I338 HydrophobicContact CG-CD1 4.12Å; L61-Y341 HydrophobicContact CD2-CD2 4.14Å; L61-Y341 HydrophobicContact CD2-CE2 4.13Å
62A98.6Very high98.2Very high0 Ų030.8 Ų30.80%016%0.156CC..Hα-helixtrans-59.9-39.4173.800000113Q58 M59 S60 S66 E81 F82Q58-A62 PolarHBondContact O-N 3.35Å; Q58-A62 VanDerWaalsContact O-N 3.09Å; M59-A62 PolarHBondContact O-N 2.71Å; S60-A62 PolarHBondContact O-N 2.91Å; A62-S66 WeakPolarHBondContact O-CB 3.45Å; A62-S66 PolarHBondContact O-N 3Å; A62-E81 HydrophobicContact CB-CB 3.93Å; A62-F82 HydrophobicContact CB-CD1 3.47Å; A62-F82 VanDerWaalsContact CB-CD1 3.47Å; A62-F82 HydrophobicContact CB-CE1 3.72Å
63I98.8Very high98.2Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-63.7-46.6173.6-68.4161.7000110.5M59 S60 L61 S66 L67 L78 F82 R135 P138 A139 V158M59-I63 WeakPolarHBondContact O-CG1 3.46Å; M59-I63 PolarHBondContact O-N 3.09Å; S60-I63 WeakPolarHBondContact O-CB 3.43Å; S60-I63 PolarHBondContact O-N 3.27Å; L61-I63 VanDerWaalsContact C-N 3.32Å; L61-I63 PolarHBondContact O-N 3.47Å; I63-S66 PolarHBondContact O-N 3.12Å; I63-L67 HydrophobicContact CG2-CD1 3.54Å; I63-L67 HydrophobicContact CG2-CG 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.19Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.71Å; I63-L78 HydrophobicContact CB-CD1 4.41Å; I63-L78 HydrophobicContact CG1-CD1 3.86Å; I63-L78 HydrophobicContact CG1-CD2 4.15Å; I63-F82 HydrophobicContact CD1-CE1 4.45Å; I63-F82 HydrophobicContact CD1-CZ 4.17Å; I63-F82 HydrophobicContact CG1-CE1 3.94Å; I63-F82 HydrophobicContact CG1-CZ 3.81Å; I63-R135 HydrophobicContact CD1-CB 3.96Å; I63-R135 HydrophobicContact CD1-CG 3.73Å; I63-R135 WeakPolarHBondContact CD1-O 3.5Å; I63-P138 HydrophobicContact CB-CB 4.23Å; I63-P138 HydrophobicContact CG2-CB 3.76Å; I63-A139 HydrophobicContact CG2-CB 4.19Å; I63-V158 HydrophobicContact CD1-CG1 3.53Å; I63-V158 HydrophobicContact CG1-CG1 4.01Å
64L98.7Very high98.2Very high0 Ų029.3 Ų29.30%015%0.15CC..Hα-helixtrans-59.7-48.2178.6-72.5167.1000112.1L11 S60 L61 S66 L67 R68 P138 I338 Y341 W344 L345L11-L64 HydrophobicContact CD1-CD1 4.4Å; L11-L64 HydrophobicContact CD1-CD2 4.48Å; S60-L64 WeakPolarHBondContact O-CG 3.17Å; S60-L64 PolarHBondContact O-N 3.15Å; L61-L64 HydrophobicContact CD2-CD1 4.34Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.48Å; L64-S66 PolarHBondContact O-N 3.3Å; L64-L67 PolarHBondContact O-N 2.93Å; L64-R68 VanDerWaalsContact O-CB 3.29Å; L64-R68 WeakPolarHBondContact O-CB 3.18Å; L64-R68 PolarHBondContact O-N 3.48Å; L64-P138 HydrophobicContact CD1-CB 4.43Å; L64-P138 HydrophobicContact CD1-CG 4.02Å; L64-P138 HydrophobicContact CD2-CB 3.63Å; L64-P138 HydrophobicContact CD2-CG 4.11Å; L64-P138 HydrophobicContact CG-CB 3.68Å; L64-P138 HydrophobicContact CG-CG 3.77Å; L64-I338 HydrophobicContact CD1-CD1 4.08Å; L64-Y341 HydrophobicContact CB-CD1 3.67Å; L64-Y341 HydrophobicContact CB-CD2 3.9Å; L64-Y341 HydrophobicContact CB-CE1 3.76Å; L64-Y341 HydrophobicContact CB-CE2 3.99Å; L64-Y341 HydrophobicContact CB-CG 3.76Å; L64-Y341 HydrophobicContact CD1-CD1 4.48Å; L64-Y341 HydrophobicContact CD1-CD2 3.76Å; L64-Y341 HydrophobicContact CD1-CG 3.76Å; L64-Y341 HydrophobicContact CD2-CD1 4.15Å; L64-Y341 HydrophobicContact CD2-CG 4.09Å; L64-Y341 HydrophobicContact CG-CD1 4.3Å; L64-Y341 HydrophobicContact CG-CD2 4.34Å; L64-Y341 HydrophobicContact CG-CG 4.06Å; L64-W344 HydrophobicContact CD2-CZ3 4.3Å; L64-L345 HydrophobicContact CD2-CD1 3.71Å; L64-L345 HydrophobicContact CD2-CG 4.46Å
65R98.6Very high98.1Very high51 Ų5130 Ų3019%0.19216%0.156CC..Hα-helixtrans-56.9-49.6175.3-78.1-170.2-47.2-93.4-2.9111.5L61 R68 A69 E81 D85 Y341L61-R65 PolarHBondContact O-N 3.37Å; R65-R68 PolarHBondContact O-N 3.07Å; R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.47Å; R65-A69 PolarHBondContact O-N 3.39Å; R65-E81 IonicContact CZ-OE2 3.61Å; R65-E81 IonicContact NE-OE2 2.91Å; R65-E81 PolarHBondContact NE-OE2 3.48Å; R65-E81 IonicContact NH2-OE2 3.69Å; R65-E81 PolarHBondContact NH2-OE2 2.83Å; R65-D85 IonicContact CZ-OD1 3.59Å; R65-D85 IonicContact CZ-OD2 3.48Å; R65-D85 IonicContact NH1-OD2 2.71Å; R65-D85 IonicContact NH2-OD1 2.66Å; R65-D85 PolarHBondContact NH2-OD1 3.28Å; R65-D85 IonicContact NH2-OD2 3.59Å; R65-D85 PolarHBondContact NH2-OD2 2.86Å; R65-Y341 WeakPolarHBondContact CG-OH 3.42Å
66S98.7Very high98.1Very high1 Ų133.7 Ų33.71%0.00717%0.173CC..Hα-helixtrans-63.2-48.4-178.7-168.10000112.6A62 I63 L64 R68 A69 R70 H77 L78A62-S66 WeakPolarHBondContact O-CB 3.45Å; A62-S66 PolarHBondContact O-N 3Å; I63-S66 PolarHBondContact O-N 3.12Å; L64-S66 PolarHBondContact O-N 3.3Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.32Å; S66-A69 PolarHBondContact O-N 3.28Å; S66-R70 WeakPolarHBondContact O-CB 3.37Å; S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.37Å; S66-H77 PolarHBondContact OG-ND1 3.22Å; S66-L78 PolarHBondContact OG-N 3.39Å
67L98.3Very high98Very high1 Ų135.8 Ų35.81%0.00518%0.182CC..Hα-helixtrans-63.1-38.5179.6-69.3172.7000112I63 L64 N71 L73 Y142 W344I63-L67 HydrophobicContact CG2-CD1 3.54Å; I63-L67 HydrophobicContact CG2-CG 4.13Å; I63-L67 WeakPolarHBondContact O-CB 3.19Å; I63-L67 VanDerWaalsContact O-CG 3.25Å; I63-L67 WeakPolarHBondContact O-CG 3.29Å; I63-L67 PolarHBondContact O-N 2.71Å; L64-L67 PolarHBondContact O-N 2.93Å; L67-N71 VanDerWaalsContact O-CA 3.25Å; L67-N71 WeakPolarHBondContact O-CA 3.13Å; L67-N71 PolarHBondContact O-N 3.24Å; L67-L73 HydrophobicContact CD2-CB 4.38Å; L67-Y142 HydrophobicContact CB-CD2 4.08Å; L67-Y142 HydrophobicContact CB-CE2 4.15Å; L67-Y142 HydrophobicContact CD1-CD1 4.27Å; L67-Y142 HydrophobicContact CD1-CD2 4.1Å; L67-Y142 HydrophobicContact CD1-CG 3.8Å; L67-Y142 HydrophobicContact CD2-CD1 3.96Å; L67-Y142 HydrophobicContact CD2-CD2 4.44Å; L67-Y142 HydrophobicContact CD2-CE1 3.98Å; L67-Y142 HydrophobicContact CD2-CE2 4.44Å; L67-Y142 HydrophobicContact CD2-CG 4.21Å; L67-Y142 HydrophobicContact CG-CD2 4.46Å; L67-Y142 HydrophobicContact CG-CG 4.42Å; L67-W344 HydrophobicContact CB-CH2 3.89Å
68R98Very high98Very high99 Ų9935.6 Ų35.637%0.37418%0.182SC..Hα-helixtrans-69.7-45.3176.9-174.5176.2179.9-177.21.6112L64 R65 S66 R70 E340 Y341 W344L64-R68 VanDerWaalsContact O-CB 3.29Å; L64-R68 WeakPolarHBondContact O-CB 3.18Å; L64-R68 PolarHBondContact O-N 3.48Å; R65-R68 PolarHBondContact O-N 3.07Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.32Å; R68-R70 PolarHBondContact O-N 3.43Å; R68-E340 IonicContact CZ-OE1 3.17Å; R68-E340 IonicContact NH1-OE1 2.68Å; R68-E340 PolarHBondContact NH1-OE1 3.06Å; R68-E340 IonicContact NH2-OE1 2.73Å; R68-E340 PolarHBondContact NH2-OE1 2.81Å; R68-Y341 HydrophobicContact CB-CE1 4.18Å; R68-W344 HydrophobicContact CB-CD2 4.35Å; R68-W344 HydrophobicContact CB-CE3 4.49Å; R68-W344 HydrophobicContact CB-CH2 3.99Å; R68-W344 HydrophobicContact CB-CZ2 3.81Å; R68-W344 HydrophobicContact CB-CZ3 4.32Å; R68-W344 HydrophobicContact CG-CD2 4.24Å; R68-W344 HydrophobicContact CG-CZ2 4.16Å
69A98.2Very high98Very high67 Ų6735.5 Ų35.555%0.55418%0.181SC*.Hα-helixtrans-66.7-36.2-178.300000112.9R65 S66R65-A69 VanDerWaalsContact O-CB 3.24Å; R65-A69 WeakPolarHBondContact O-CB 3.47Å; R65-A69 PolarHBondContact O-N 3.39Å; S66-A69 PolarHBondContact O-N 3.28Å
70R97.7Very high98Very high128 Ų12840.7 Ų40.748%0.48320%0.203SC..Hα-helixtrans-101.4-12.8-173.9-52.5-63.1-86.3174.2-8.9113.4S66 R68 S72 D74 H77S66-R70 WeakPolarHBondContact O-CB 3.37Å; S66-R70 WeakPolarHBondContact O-CG 3.42Å; S66-R70 PolarHBondContact O-N 3.37Å; R68-R70 PolarHBondContact O-N 3.43Å; R70-S72 PolarHBondContact O-N 3.04Å; R70-S72 PolarHBondContact O-OG 3.14Å; R70-D74 HydrophobicContact CB-CB 4.04Å; R70-D74 HydrophobicContact CG-CB 3.84Å; R70-D74 IonicContact CZ-OD2 3.57Å; R70-D74 IonicContact NE-OD2 2.8Å; R70-D74 PolarHBondContact NE-OD2 3.09Å; R70-D74 IonicContact NH2-OD2 2.69Å; R70-D74 PolarHBondContact NH2-OD2 3.08Å; R70-H77 HydrophobicContact CG-CB 3.99Å
71N95.5Very high97.9Very high100 Ų10041.9 Ų41.954%0.53521%0.208SC..SBendtrans52.224.5-173.5-166.337.8000113.5L67 Y142 R348L67-N71 VanDerWaalsContact O-CA 3.25Å; L67-N71 WeakPolarHBondContact O-CA 3.13Å; L67-N71 PolarHBondContact O-N 3.24Å; N71-Y142 PolarHBondContact O-OH 2.9Å; N71-R348 PolarHBondContact OD1-NH1 3.35Å; N71-R348 PolarHBondContact OD1-NH2 3.37Å
72S96.7Very high97.9Very high59 Ų5941.9 Ų41.941%0.41321%0.208SC..SBendtrans-167.3167177.259.40000108.8R70 D74 Y142R70-S72 PolarHBondContact O-N 3.04Å; R70-S72 PolarHBondContact O-OG 3.14Å; S72-D74 PolarHBondContact O-N 3.47Å; S72-Y142 WeakPolarHBondContact CA-OH 3.25Å; S72-Y142 PolarHBondContact N-OH 3.25Å
73L97.1Very high97.9Very high36 Ų3641.9 Ų41.919%0.18821%0.208CC..  trans-71.5110.2166.9178.962.5000109.9L67 L78 I154 D157 V158L67-L73 HydrophobicContact CD2-CB 4.38Å; L73-L78 HydrophobicContact CD1-CD2 3.93Å; L73-I154 HydrophobicContact CD2-CG2 4.5Å; L73-D157 HydrophobicContact CD2-CB 3.64Å; L73-V158 HydrophobicContact CD1-CG2 3.61Å; L73-V158 HydrophobicContact CD2-CG2 4.09Å
74D97.7Very high97.8Very high34 Ų3443.9 Ų43.918%0.18222%0.22CC..  trans-110110.3167.6-178.6-28.5000108.4R70 S72 E76 H77 L78R70-D74 HydrophobicContact CB-CB 4.04Å; R70-D74 HydrophobicContact CG-CB 3.84Å; R70-D74 IonicContact CZ-OD2 3.57Å; R70-D74 IonicContact NE-OD2 2.8Å; R70-D74 PolarHBondContact NE-OD2 3.09Å; R70-D74 IonicContact NH2-OD2 2.69Å; R70-D74 PolarHBondContact NH2-OD2 3.08Å; S72-D74 PolarHBondContact O-N 3.47Å; D74-E76 PolarHBondContact OD1-N 3.35Å; D74-E76 VanDerWaalsContact OD1-N 3.07Å; D74-H77 HydrophobicContact CB-CB 3.82Å; D74-H77 PolarHBondContact O-N 3.12Å; D74-H77 PolarHBondContact OD1-N 3.2Å; D74-L78 WeakPolarHBondContact O-CB 3.38Å; D74-L78 PolarHBondContact O-N 2.84Å
75A97.2Very high97.7Very high14 Ų1444.6 Ų44.612%0.11622%0.224CC..Hα-helixtrans-69.9-34.6-173.500000113A79 P114 Y115 L161A75-A79 VanDerWaalsContact O-CB 3.25Å; A75-A79 WeakPolarHBondContact O-CB 3.3Å; A75-A79 PolarHBondContact O-N 2.86Å; A75-P114 HydrophobicContact CB-CG 3.72Å; A75-Y115 HydrophobicContact CB-CE1 4.22Å; A75-Y115 HydrophobicContact CB-CE2 4.21Å; A75-Y115 WeakPolarHBondContact CB-OH 3.38Å; A75-L161 HydrophobicContact CB-CD2 4.43Å
76E97.5Very high97.7Very high97 Ų9745.2 Ų45.245%0.45323%0.227SC..Hα-helixtrans-70.4-42.8177.4-58.6-168.9168.100109.8D74 A79 K80 Y111 P114D74-E76 PolarHBondContact OD1-N 3.35Å; D74-E76 VanDerWaalsContact OD1-N 3.07Å; E76-A79 PolarHBondContact O-N 2.98Å; E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.81Å; E76-Y111 WeakPolarHBondContact CG-O 3.4Å; E76-P114 HydrophobicContact CG-CG 4.3Å
77H98.1Very high97.6Very high43 Ų4349.1 Ų49.120%0.19924%0.244CC..Hα-helixtrans-63.7-44.2175.6-170.3-88.9000111.8S66 R70 D74 K80 E81S66-H77 PolarHBondContact OG-ND1 3.22Å; R70-H77 HydrophobicContact CG-CB 3.99Å; D74-H77 HydrophobicContact CB-CB 3.82Å; D74-H77 PolarHBondContact O-N 3.12Å; D74-H77 PolarHBondContact OD1-N 3.2Å; H77-K80 WeakPolarHBondContact O-CB 3.37Å; H77-K80 PolarHBondContact O-N 3.1Å; H77-E81 IonicContact CE1-OE1 3.35Å; H77-E81 PolarHBondContact CE1-OE1 2.95Å; H77-E81 IonicContact NE2-OE1 2.79Å; H77-E81 WeakPolarHBondContact O-CG 3.49Å; H77-E81 PolarHBondContact O-N 3.11Å
78L98.4Very high97.5Very high1 Ų155.6 Ų55.61%0.00527%0.274CS..Hα-helixtrans-65.6-41177.3-179.255.5000112.2I63 S66 L73 D74 K80 E81 F82 V158 L161I63-L78 HydrophobicContact CB-CD1 4.41Å; I63-L78 HydrophobicContact CG1-CD1 3.86Å; I63-L78 HydrophobicContact CG1-CD2 4.15Å; S66-L78 PolarHBondContact OG-N 3.39Å; L73-L78 HydrophobicContact CD1-CD2 3.93Å; D74-L78 WeakPolarHBondContact O-CB 3.38Å; D74-L78 PolarHBondContact O-N 2.84Å; L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 3.43Å; L78-E81 PolarHBondContact O-N 3.45Å; L78-F82 HydrophobicContact CD1-CD1 4.14Å; L78-F82 HydrophobicContact CD1-CD2 4.44Å; L78-F82 HydrophobicContact CD1-CE1 3.66Å; L78-F82 HydrophobicContact CD1-CE2 4.02Å; L78-F82 HydrophobicContact CD1-CG 4.49Å; L78-F82 HydrophobicContact CD1-CZ 3.6Å; L78-F82 HydrophobicContact CD2-CE2 4.09Å; L78-F82 HydrophobicContact CD2-CZ 4Å; L78-F82 HydrophobicContact CG-CD2 4.2Å; L78-F82 HydrophobicContact CG-CE1 4.3Å; L78-F82 HydrophobicContact CG-CE2 3.73Å; L78-F82 HydrophobicContact CG-CZ 3.77Å; L78-F82 WeakPolarHBondContact O-CG 3.36Å; L78-F82 PolarHBondContact O-N 3.31Å; L78-V158 HydrophobicContact CD2-CB 4.36Å; L78-V158 HydrophobicContact CD2-CG1 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.79Å; L78-L161 HydrophobicContact CB-CD1 3.99Å; L78-L161 HydrophobicContact CD2-CD1 3.56Å; L78-L161 HydrophobicContact CG-CD1 3.61Å
79A97.9Very high97.3Very high0 Ų055.1 Ų55.10%028%0.279CS..Hα-helixtrans-57.9-43.4173.100000110.7A75 E76 F82 T83 L106 Y111 P114 L161A75-A79 VanDerWaalsContact O-CB 3.25Å; A75-A79 WeakPolarHBondContact O-CB 3.3Å; A75-A79 PolarHBondContact O-N 2.86Å; E76-A79 PolarHBondContact O-N 2.98Å; A79-F82 PolarHBondContact O-N 3.38Å; A79-T83 VanDerWaalsContact O-CG2 3.31Å; A79-T83 WeakPolarHBondContact O-CG2 3.36Å; A79-T83 PolarHBondContact O-N 2.88Å; A79-T83 PolarHBondContact O-OG1 3.31Å; A79-L106 HydrophobicContact CB-CD1 4.24Å; A79-L106 HydrophobicContact CB-CD2 4.29Å; A79-Y111 HydrophobicContact CB-CD1 4.09Å; A79-P114 HydrophobicContact CB-CB 3.89Å; A79-L161 HydrophobicContact CB-CD2 4.29Å
80K98Very high97.1Very high111 Ų11152.3 Ų52.348%0.48326%0.256SS..Hα-helixtrans-59.4-51.1175-175.5176.8171.7-176.70111.9E76 H77 L78 F82 T83 T84 Y111E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.81Å; H77-K80 WeakPolarHBondContact O-CB 3.37Å; H77-K80 PolarHBondContact O-N 3.1Å; L78-K80 VanDerWaalsContact C-N 3.26Å; L78-K80 PolarHBondContact O-N 3.43Å; K80-F82 PolarHBondContact O-N 2.98Å; K80-T83 PolarHBondContact O-N 3.49Å; K80-T83 VanDerWaalsContact O-N 3.16Å; K80-T83 PolarHBondContact O-OG1 2.68Å; K80-T84 WeakPolarHBondContact O-CB 3.27Å; K80-T84 PolarHBondContact O-N 3.27Å; K80-T84 PolarHBondContact O-OG1 3.21Å; K80-Y111 HydrophobicContact CB-CD1 4.22Å; K80-Y111 HydrophobicContact CB-CD2 4.07Å; K80-Y111 HydrophobicContact CB-CE1 4.15Å; K80-Y111 HydrophobicContact CB-CE2 3.99Å; K80-Y111 HydrophobicContact CB-CG 4.17Å; K80-Y111 HydrophobicContact CD-CD2 4.47Å; K80-Y111 HydrophobicContact CD-CE2 4.16Å; K80-Y111 HydrophobicContact CG-CD2 4.29Å; K80-Y111 HydrophobicContact CG-CE2 3.79Å
81E98.4Very high96.9Very high37 Ų3751.1 Ų51.117%0.17327%0.267CS..Hα-helixtrans-53.2-49.4176.2-70.9-7015800112.2A62 R65 H77 L78 T83 T84 D85A62-E81 HydrophobicContact CB-CB 3.93Å; R65-E81 IonicContact CZ-OE2 3.61Å; R65-E81 IonicContact NE-OE2 2.91Å; R65-E81 PolarHBondContact NE-OE2 3.48Å; R65-E81 IonicContact NH2-OE2 3.69Å; R65-E81 PolarHBondContact NH2-OE2 2.83Å; H77-E81 IonicContact CE1-OE1 3.35Å; H77-E81 PolarHBondContact CE1-OE1 2.95Å; H77-E81 IonicContact NE2-OE1 2.79Å; H77-E81 WeakPolarHBondContact O-CG 3.49Å; H77-E81 PolarHBondContact O-N 3.11Å; L78-E81 PolarHBondContact O-N 3.45Å; E81-T83 PolarHBondContact O-N 3.22Å; E81-T84 PolarHBondContact O-N 3.46Å; E81-D85 PolarHBondContact O-N 2.84Å
82F98.1Very high96.8Very high1 Ų152.7 Ų52.70%0.00427%0.271CS..Hα-helixtrans-58.3-46176.9-70.4-26.7000112.7M59 A62 I63 L78 A79 K80 Y86 F103 L161M59-F82 HydrophobicContact CB-CD1 4.41Å; M59-F82 HydrophobicContact CB-CE1 4.05Å; M59-F82 HydrophobicContact CE-CB 4.26Å; M59-F82 HydrophobicContact CE-CD1 3.49Å; M59-F82 VanDerWaalsContact CE-CD1 3.49Å; M59-F82 HydrophobicContact CE-CD2 3.77Å; M59-F82 HydrophobicContact CE-CE1 3.61Å; M59-F82 HydrophobicContact CE-CE2 3.86Å; M59-F82 HydrophobicContact CE-CG 3.59Å; M59-F82 HydrophobicContact CE-CZ 3.8Å; M59-F82 WeakPolarHBondContact O-CE1 3.26Å; A62-F82 HydrophobicContact CB-CD1 3.47Å; A62-F82 VanDerWaalsContact CB-CD1 3.47Å; A62-F82 HydrophobicContact CB-CE1 3.72Å; I63-F82 HydrophobicContact CD1-CE1 4.45Å; I63-F82 HydrophobicContact CD1-CZ 4.17Å; I63-F82 HydrophobicContact CG1-CE1 3.94Å; I63-F82 HydrophobicContact CG1-CZ 3.81Å; L78-F82 HydrophobicContact CD1-CD1 4.14Å; L78-F82 HydrophobicContact CD1-CD2 4.44Å; L78-F82 HydrophobicContact CD1-CE1 3.66Å; L78-F82 HydrophobicContact CD1-CE2 4.02Å; L78-F82 HydrophobicContact CD1-CG 4.49Å; L78-F82 HydrophobicContact CD1-CZ 3.6Å; L78-F82 HydrophobicContact CD2-CE2 4.09Å; L78-F82 HydrophobicContact CD2-CZ 4Å; L78-F82 HydrophobicContact CG-CD2 4.2Å; L78-F82 HydrophobicContact CG-CE1 4.3Å; L78-F82 HydrophobicContact CG-CE2 3.73Å; L78-F82 HydrophobicContact CG-CZ 3.77Å; L78-F82 WeakPolarHBondContact O-CG 3.36Å; L78-F82 PolarHBondContact O-N 3.31Å; A79-F82 PolarHBondContact O-N 3.38Å; K80-F82 PolarHBondContact O-N 2.98Å; F82-Y86 WeakPolarHBondContact O-CB 3.18Å; F82-Y86 PolarHBondContact O-N 3.35Å; F82-Y86 VanDerWaalsContact O-N 3.09Å; F82-F103 HydrophobicContact CB-CD1 4.47Å; F82-F103 HydrophobicContact CB-CE1 3.74Å; F82-F103 HydrophobicContact CB-CZ 3.94Å; F82-F103 HydrophobicContact CG-CE1 4.45Å; F82-L161 HydrophobicContact CD2-CD1 4.16Å; F82-L161 HydrophobicContact CE2-CB 4.23Å; F82-L161 HydrophobicContact CE2-CD1 3.73Å
83T97.3Very high96.9Very high0 Ų050.9 Ų50.90%026%0.255CS..Hα-helixtrans-69.2-37.7-179.563.80000112.7A79 K80 E81 Y86 F87 F103 L106 Y111A79-T83 VanDerWaalsContact O-CG2 3.31Å; A79-T83 WeakPolarHBondContact O-CG2 3.36Å; A79-T83 PolarHBondContact O-N 2.88Å; A79-T83 PolarHBondContact O-OG1 3.31Å; K80-T83 PolarHBondContact O-N 3.49Å; K80-T83 VanDerWaalsContact O-N 3.16Å; K80-T83 PolarHBondContact O-OG1 2.68Å; E81-T83 PolarHBondContact O-N 3.22Å; T83-Y86 PolarHBondContact O-N 3.43Å; T83-F87 WeakPolarHBondContact O-CB 3.39Å; T83-F87 WeakPolarHBondContact O-CD2 3.41Å; T83-F87 PolarHBondContact O-N 3.42Å; T83-F103 HydrophobicContact CG2-CB 3.71Å; T83-F103 HydrophobicContact CG2-CD1 3.9Å; T83-F103 HydrophobicContact CG2-CG 4.03Å; T83-F103 WeakPolarHBondContact CG2-O 3.26Å; T83-L106 HydrophobicContact CG2-CB 4.08Å; T83-L106 HydrophobicContact CG2-CD1 4.37Å; T83-Y111 HydrophobicContact CG2-CE1 3.76Å; T83-Y111 WeakPolarHBondContact OG1-CE1 3.49Å; T83-Y111 PolarHBondContact OG1-OH 3.43Å
84T97.8Very high96.8Very high41 Ų4152.2 Ų52.225%0.25227%0.267SS..Hα-helixtrans-61.6-51.6178.1-70.90000109.9K80 E81 Y86 F87 E88K80-T84 WeakPolarHBondContact O-CB 3.27Å; K80-T84 PolarHBondContact O-N 3.27Å; K80-T84 PolarHBondContact O-OG1 3.21Å; E81-T84 PolarHBondContact O-N 3.46Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.21Å; T84-F87 PolarHBondContact O-N 2.87Å; T84-E88 HydrophobicContact CG2-CG 4.37Å; T84-E88 WeakPolarHBondContact O-CB 3.22Å; T84-E88 WeakPolarHBondContact O-CG 3.32Å; T84-E88 PolarHBondContact O-N 3.27Å
85D97.3Very high96.7Very high16 Ų1651.8 Ų51.89%0.08626%0.263CS..Hα-helixtrans-57.2-46.2177.5-84.56.8000112.4Q58 R65 E81 N89 G90Q58-D85 HydrophobicContact CG-CB 3.91Å; Q58-D85 WeakPolarHBondContact CG-OD2 3.28Å; R65-D85 IonicContact CZ-OD1 3.59Å; R65-D85 IonicContact CZ-OD2 3.48Å; R65-D85 IonicContact NH1-OD2 2.71Å; R65-D85 IonicContact NH2-OD1 2.66Å; R65-D85 PolarHBondContact NH2-OD1 3.28Å; R65-D85 IonicContact NH2-OD2 3.59Å; R65-D85 PolarHBondContact NH2-OD2 2.86Å; E81-D85 PolarHBondContact O-N 2.84Å; D85-N89 CarbonylContact O-C 3.59Å; D85-N89 WeakPolarHBondContact O-CA 3.37Å; D85-N89 PolarHBondContact O-N 3.49Å; D85-G90 PolarHBondContact O-N 3Å; D85-G90 VanDerWaalsContact O-N 3.09Å
86Y97.6Very high96.5Very high64 Ų6452.6 Ų52.625%0.25127%0.273SS..Hα-helixtrans-60.2-48179.3176.7-93.8000112.3F82 T83 T84 G90 Y95 I99 G100 F103F82-Y86 WeakPolarHBondContact O-CB 3.18Å; F82-Y86 PolarHBondContact O-N 3.35Å; F82-Y86 VanDerWaalsContact O-N 3.09Å; T83-Y86 PolarHBondContact O-N 3.43Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 3.21Å; Y86-G90 VanDerWaalsContact O-CA 3.28Å; Y86-G90 WeakPolarHBondContact O-CA 3.42Å; Y86-G90 PolarHBondContact O-N 3.23Å; Y86-G90 VanDerWaalsContact O-N 3.11Å; Y86-Y95 AromaticContact CD2-CD1 3.96Å; Y86-Y95 HydrophobicContact CD2-CD1 3.96Å; Y86-Y95 AromaticContact CD2-CD2 3.55Å; Y86-Y95 HydrophobicContact CD2-CD2 3.55Å; Y86-Y95 HydrophobicContact CD2-CE1 4.17Å; Y86-Y95 AromaticContact CD2-CE2 3.8Å; Y86-Y95 HydrophobicContact CD2-CE2 3.8Å; Y86-Y95 AromaticContact CD2-CG 3.63Å; Y86-Y95 HydrophobicContact CD2-CG 3.63Å; Y86-Y95 HydrophobicContact CE2-CD1 4.45Å; Y86-Y95 AromaticContact CE2-CD2 3.99Å; Y86-Y95 HydrophobicContact CE2-CD2 3.99Å; Y86-Y95 AromaticContact CE2-CG 3.87Å; Y86-Y95 HydrophobicContact CE2-CG 3.87Å; Y86-I99 HydrophobicContact CD2-CG2 4.24Å; Y86-I99 HydrophobicContact CE2-CG2 3.83Å; Y86-G100 VanDerWaalsContact CZ-CA 3.5Å; Y86-G100 VanDerWaalsContact OH-CA 3.24Å; Y86-G100 WeakPolarHBondContact OH-CA 3.37Å; Y86-F103 VanDerWaalsContact CB-CD2 3.5Å; Y86-F103 HydrophobicContact CD1-CB 4.29Å; Y86-F103 AromaticContact CD1-CD2 3.8Å; Y86-F103 HydrophobicContact CD1-CD2 3.8Å; Y86-F103 AromaticContact CD2-CD2 3.54Å; Y86-F103 HydrophobicContact CD2-CD2 3.54Å; Y86-F103 AromaticContact CD2-CE2 3.71Å; Y86-F103 HydrophobicContact CD2-CE2 3.71Å; Y86-F103 HydrophobicContact CE1-CD2 4.43Å; Y86-F103 HydrophobicContact CE2-CD2 4.19Å; Y86-F103 AromaticContact CG-CD2 3.32Å; Y86-F103 HydrophobicContact CG-CD2 3.32Å; Y86-F103 AromaticContact CG-CE2 3.81Å; Y86-F103 HydrophobicContact CG-CE2 3.81Å; Y86-F103 HydrophobicContact CG-CG 4.39Å
87F96.8Very high96.1Very high82 Ų8252.3 Ų52.336%0.3630%0.296SS..Hα-helixtrans-77.9-28.6-175.4-71-57000113.7T83 T84 F103 K107T83-F87 WeakPolarHBondContact O-CB 3.39Å; T83-F87 WeakPolarHBondContact O-CD2 3.41Å; T83-F87 PolarHBondContact O-N 3.42Å; T84-F87 PolarHBondContact O-N 2.87Å; F87-F103 HydrophobicContact CE2-CB 4.23Å; F87-F103 HydrophobicContact CZ-CB 4.22Å; F87-K107 HydrophobicContact CD2-CD 4.02Å; F87-K107 HydrophobicContact CE2-CB 4.36Å; F87-K107 HydrophobicContact CE2-CD 3.82Å
88E96.7Very high95.6Very high138 Ų13852.3 Ų52.365%0.64530%0.301SS*.Hα-helixtrans-89.4-42.4-178.6-67-177.7-177.500112.2T84T84-E88 HydrophobicContact CG2-CG 4.37Å; T84-E88 WeakPolarHBondContact O-CB 3.22Å; T84-E88 WeakPolarHBondContact O-CG 3.32Å; T84-E88 PolarHBondContact O-N 3.27Å
89N94.1Very high95.2Very high89 Ų8952.9 Ų52.948%0.47630%0.303SS..Hα-helixtrans-13512.6-169.2-65.2-57000113.9Q58 D85 R93Q58-N89 PolarHBondContact NE2-O 3.41Å; D85-N89 CarbonylContact O-C 3.59Å; D85-N89 WeakPolarHBondContact O-CA 3.37Å; D85-N89 PolarHBondContact O-N 3.49Å; N89-R93 WeakPolarHBondContact O-CG 3.47Å
90G94.3Very high95Very high7 Ų753.5 Ų53.57%0.07231%0.31CS..G310 helixtrans-84.7-12.9-173.500000115.8D85 Y86 H92 R93D85-G90 PolarHBondContact O-N 3Å; D85-G90 VanDerWaalsContact O-N 3.09Å; Y86-G90 VanDerWaalsContact O-CA 3.28Å; Y86-G90 WeakPolarHBondContact O-CA 3.42Å; Y86-G90 PolarHBondContact O-N 3.23Å; Y86-G90 VanDerWaalsContact O-N 3.11Å; G90-H92 PolarHBondContact O-N 3.3Å; G90-H92 VanDerWaalsContact O-N 3.08Å; G90-R93 PolarHBondContact O-N 3.06Å; G90-R93 VanDerWaalsContact O-N 3.1Å
91S93.4Very high94.6Very high103 Ų10357.1 Ų57.172%0.7232%0.321SS*.G310 helixtrans-62.5-21.5-172.363.40000114.9
92H93.5Very high94.3Very high134 Ų13455.5 Ų55.562%0.6231%0.313SS*.G310 helixtrans-113.28-179.6-49.7107.9000113M52 G90M52-H92 HydrophobicContact SD-CB 4.1Å; G90-H92 PolarHBondContact O-N 3.3Å; G90-H92 VanDerWaalsContact O-N 3.08Å
93R96.9Very high94.2Very high20 Ų2055.4 Ų55.48%0.07531%0.313CS..THydrogen-bonded Turntrans-102.211.1-174.4-57.5-66.4-176.6-168.2-3.1113.1Y53 S54 D55 N89 G90 Y95 E333Y53-R93 WeakPolarHBondContact O-CD 3.47Å; Y53-R93 PolarHBondContact O-NH1 3.23Å; Y53-R93 PolarHBondContact OH-NH2 2.71Å; S54-R93 CarbonylContact C-O 3.52Å; D55-R93 HydrophobicContact CB-CB 4.41Å; D55-R93 WeakPolarHBondContact CB-O 3.45Å; D55-R93 PolarHBondContact N-O 2.54Å; N89-R93 WeakPolarHBondContact O-CG 3.47Å; G90-R93 PolarHBondContact O-N 3.06Å; G90-R93 VanDerWaalsContact O-N 3.1Å; R93-Y95 HydrophobicContact CB-CD2 4.04Å; R93-Y95 HydrophobicContact CB-CE2 3.88Å; R93-Y95 PolarHBondContact O-N 2.78Å; R93-E333 IonicContact CZ-OE1 2.78Å; R93-E333 IonicContact CZ-OE2 2.68Å; R93-E333 IonicContact NH1-OE1 3.74Å; R93-E333 IonicContact NH1-OE2 2.59Å; R93-E333 PolarHBondContact NH1-OE2 2.83Å; R93-E333 IonicContact NH2-OE1 3.93Å; R93-E333 PolarHBondContact NH2-OE1 3.42Å; R93-E333 IonicContact NH2-OE2 2.67Å; R93-E333 PolarHBondContact NH2-OE2 3.19Å
94C95.1Very high94.1Very high65 Ų6562 Ų6244%0.43934%0.339SS..THydrogen-bonded Turntrans53.924.5174.2-69.50000117.9F22 E25 G96F22-C94 HydrophobicContact CE2-CB 3.67Å; F22-C94 WeakPolarHBondContact CE2-SG 3.47Å; F22-C94 HydrophobicContact CZ-CB 4.1Å; F22-C94 VanDerWaalsContact CZ-SG 3.57Å; E25-C94 WeakPolarHBondContact OE2-CB 3.47Å; C94-G96 PolarHBondContact O-N 2.67Å
95Y96.4Very high93.9Very high25 Ų2561.5 Ų61.510%0.09834%0.337CS..  trans-41.5132.5173-79.7-81.3000114.6D55 Q58 M59 Y86 R93 G97 I99 F103D55-Y95 HydrophobicContact CB-CD1 3.48Å; D55-Y95 VanDerWaalsContact CB-CD1 3.48Å; D55-Y95 HydrophobicContact CB-CD2 3.98Å; D55-Y95 HydrophobicContact CB-CE1 3.52Å; D55-Y95 HydrophobicContact CB-CE2 3.98Å; D55-Y95 HydrophobicContact CB-CG 3.74Å; D55-Y95 WeakPolarHBondContact OD2-CA 3.36Å; Q58-Y95 PolarHBondContact OE1-OH 3.39Å; M59-Y95 HydrophobicContact CG-CE1 3.81Å; M59-Y95 HydrophobicContact SD-CE1 3.93Å; Y86-Y95 AromaticContact CD2-CD1 3.96Å; Y86-Y95 HydrophobicContact CD2-CD1 3.96Å; Y86-Y95 AromaticContact CD2-CD2 3.55Å; Y86-Y95 HydrophobicContact CD2-CD2 3.55Å; Y86-Y95 HydrophobicContact CD2-CE1 4.17Å; Y86-Y95 AromaticContact CD2-CE2 3.8Å; Y86-Y95 HydrophobicContact CD2-CE2 3.8Å; Y86-Y95 AromaticContact CD2-CG 3.63Å; Y86-Y95 HydrophobicContact CD2-CG 3.63Å; Y86-Y95 HydrophobicContact CE2-CD1 4.45Å; Y86-Y95 AromaticContact CE2-CD2 3.99Å; Y86-Y95 HydrophobicContact CE2-CD2 3.99Å; Y86-Y95 AromaticContact CE2-CG 3.87Å; Y86-Y95 HydrophobicContact CE2-CG 3.87Å; R93-Y95 HydrophobicContact CB-CD2 4.04Å; R93-Y95 HydrophobicContact CB-CE2 3.88Å; R93-Y95 PolarHBondContact O-N 2.78Å; Y95-G97 PolarHBondContact O-N 2.92Å; Y95-I99 HydrophobicContact CD1-CG2 3.82Å; Y95-I99 HydrophobicContact CG-CG2 4.09Å; Y95-F103 HydrophobicContact CD1-CE2 4.23Å; Y95-F103 AromaticContact CE1-CE2 3.96Å; Y95-F103 HydrophobicContact CE1-CE2 3.96Å; Y95-F103 HydrophobicContact CE1-CZ 4.47Å
96G92Very high93.7Very high31 Ų3160.8 Ų60.832%0.3233%0.333SS..  trans-54.3132.6176.900000113C94 S98 I99C94-G96 PolarHBondContact O-N 2.67Å; G96-S98 PolarHBondContact O-N 2.87Å; G96-I99 VanDerWaalsContact O-CG2 3.28Å; G96-I99 WeakPolarHBondContact O-CG2 3.36Å; G96-I99 PolarHBondContact O-N 3.37Å
97G89.8Confident93.6Very high91 Ų9163.1 Ų63.194%0.93835%0.345SS*.THydrogen-bonded Turntrans-60.2-8.8-164.500000117.9Y95Y95-G97 PolarHBondContact O-N 2.92Å
98S86.8Confident93.4Very high42 Ų4265.3 Ų65.329%0.29436%0.357SS..THydrogen-bonded Turntrans-89.6-20.6174.963.70000113.9G96 G100 R101G96-S98 PolarHBondContact O-N 2.87Å; S98-G100 PolarHBondContact O-N 2.79Å; S98-R101 PolarHBondContact O-N 3.32Å
99I91.9Very high93.3Very high13 Ų1361.5 Ų61.57%0.06734%0.344CS..Hα-helixtrans-71.1-32.2-166.2-162.767.9000113.4Y86 Y95 G96 R101 T102 F103 T162Y86-I99 HydrophobicContact CD2-CG2 4.24Å; Y86-I99 HydrophobicContact CE2-CG2 3.83Å; Y95-I99 HydrophobicContact CD1-CG2 3.82Å; Y95-I99 HydrophobicContact CG-CG2 4.09Å; G96-I99 VanDerWaalsContact O-CG2 3.28Å; G96-I99 WeakPolarHBondContact O-CG2 3.36Å; G96-I99 PolarHBondContact O-N 3.37Å; I99-R101 PolarHBondContact O-N 2.69Å; I99-R101 VanDerWaalsContact O-N 3.15Å; I99-T102 WeakPolarHBondContact O-CB 3.22Å; I99-T102 PolarHBondContact O-N 3.43Å; I99-F103 HydrophobicContact CB-CE2 4.28Å; I99-F103 HydrophobicContact CD1-CE1 3.97Å; I99-F103 HydrophobicContact CD1-CE2 4.29Å; I99-F103 HydrophobicContact CD1-CZ 3.85Å; I99-F103 HydrophobicContact CG1-CD1 4.25Å; I99-F103 HydrophobicContact CG1-CD2 3.73Å; I99-F103 HydrophobicContact CG1-CE1 3.81Å; I99-F103 HydrophobicContact CG1-CE2 3.27Å; I99-F103 HydrophobicContact CG1-CG 4.23Å; I99-F103 HydrophobicContact CG1-CZ 3.3Å; I99-F103 HydrophobicContact CG2-CD2 4.23Å; I99-F103 HydrophobicContact CG2-CE2 3.99Å; I99-F103 PolarHBondContact O-N 3.23Å; I99-T162 VanDerWaalsContact CD1-CB 3.45Å; I99-T162 HydrophobicContact CD1-CG2 3.52Å
100G92.4Very high93.3Very high14 Ų1462.8 Ų62.814%0.14435%0.35CS..Hα-helixtrans-56.2-34.6179.900000113Y86 S98 Y104Y86-G100 VanDerWaalsContact CZ-CA 3.5Å; Y86-G100 VanDerWaalsContact OH-CA 3.24Å; Y86-G100 WeakPolarHBondContact OH-CA 3.37Å; S98-G100 PolarHBondContact O-N 2.79Å; G100-Y104 VanDerWaalsContact O-CB 3.25Å; G100-Y104 WeakPolarHBondContact O-CB 3.38Å; G100-Y104 PolarHBondContact O-N 3.38Å
101R90.5Very high93.3Very high187 Ų18763.6 Ų63.671%0.70635%0.352SS*.Hα-helixtrans-66.2-42.9175.5-176.5178.2176.7-178-2.6111.8S98 I99 S105S98-R101 PolarHBondContact O-N 3.32Å; I99-R101 PolarHBondContact O-N 2.69Å; I99-R101 VanDerWaalsContact O-N 3.15Å; R101-S105 WeakPolarHBondContact O-CB 3.49Å; R101-S105 PolarHBondContact O-N 3.49Å; R101-S105 PolarHBondContact O-OG 2.96Å
102T92.4Very high93.3Very high2 Ų265.4 Ų65.41%0.01235%0.346CS..Hα-helixtrans-63.8-48.6177.7-55.60000110.7I99 Y104 S105 L106 H117 A118 L121I99-T102 WeakPolarHBondContact O-CB 3.22Å; I99-T102 PolarHBondContact O-N 3.43Å; T102-Y104 PolarHBondContact O-N 2.85Å; T102-S105 PolarHBondContact O-N 2.96Å; T102-L106 HydrophobicContact CG2-CD1 4.14Å; T102-L106 WeakPolarHBondContact O-CG 3.5Å; T102-L106 PolarHBondContact O-N 2.86Å; T102-H117 HydrophobicContact CG2-CB 4.29Å; T102-A118 HydrophobicContact CG2-CB 4.44Å; T102-L121 WeakPolarHBondContact OG1-CD1 3.23Å
103F95.5Very high93.2Very high0 Ų064 Ų640%034%0.344CS..Hα-helixtrans-64.8-38.6179.4-66.9-24.1000113.1M59 F82 T83 Y86 F87 Y95 I99 L106 K107 T162M59-F103 HydrophobicContact CE-CE1 4.43Å; M59-F103 HydrophobicContact CE-CZ 3.77Å; F82-F103 HydrophobicContact CB-CD1 4.47Å; F82-F103 HydrophobicContact CB-CE1 3.74Å; F82-F103 HydrophobicContact CB-CZ 3.94Å; F82-F103 HydrophobicContact CG-CE1 4.45Å; T83-F103 HydrophobicContact CG2-CB 3.71Å; T83-F103 HydrophobicContact CG2-CD1 3.9Å; T83-F103 HydrophobicContact CG2-CG 4.03Å; T83-F103 WeakPolarHBondContact CG2-O 3.26Å; Y86-F103 VanDerWaalsContact CB-CD2 3.5Å; Y86-F103 HydrophobicContact CD1-CB 4.29Å; Y86-F103 AromaticContact CD1-CD2 3.8Å; Y86-F103 HydrophobicContact CD1-CD2 3.8Å; Y86-F103 AromaticContact CD2-CD2 3.54Å; Y86-F103 HydrophobicContact CD2-CD2 3.54Å; Y86-F103 AromaticContact CD2-CE2 3.71Å; Y86-F103 HydrophobicContact CD2-CE2 3.71Å; Y86-F103 HydrophobicContact CE1-CD2 4.43Å; Y86-F103 HydrophobicContact CE2-CD2 4.19Å; Y86-F103 AromaticContact CG-CD2 3.32Å; Y86-F103 HydrophobicContact CG-CD2 3.32Å; Y86-F103 AromaticContact CG-CE2 3.81Å; Y86-F103 HydrophobicContact CG-CE2 3.81Å; Y86-F103 HydrophobicContact CG-CG 4.39Å; F87-F103 HydrophobicContact CE2-CB 4.23Å; F87-F103 HydrophobicContact CZ-CB 4.22Å; Y95-F103 HydrophobicContact CD1-CE2 4.23Å; Y95-F103 AromaticContact CE1-CE2 3.96Å; Y95-F103 HydrophobicContact CE1-CE2 3.96Å; Y95-F103 HydrophobicContact CE1-CZ 4.47Å; I99-F103 HydrophobicContact CB-CE2 4.28Å; I99-F103 HydrophobicContact CD1-CE1 3.97Å; I99-F103 HydrophobicContact CD1-CE2 4.29Å; I99-F103 HydrophobicContact CD1-CZ 3.85Å; I99-F103 HydrophobicContact CG1-CD1 4.25Å; I99-F103 HydrophobicContact CG1-CD2 3.73Å; I99-F103 HydrophobicContact CG1-CE1 3.81Å; I99-F103 HydrophobicContact CG1-CE2 3.27Å; I99-F103 HydrophobicContact CG1-CG 4.23Å; I99-F103 HydrophobicContact CG1-CZ 3.3Å; I99-F103 HydrophobicContact CG2-CD2 4.23Å; I99-F103 HydrophobicContact CG2-CE2 3.99Å; I99-F103 PolarHBondContact O-N 3.23Å; F103-L106 HydrophobicContact CD1-CD1 4.21Å; F103-K107 PolarHBondContact O-N 3.32Å; F103-K107 VanDerWaalsContact O-N 3.11Å; F103-T162 HydrophobicContact CE1-CG2 3.85Å; F103-T162 HydrophobicContact CZ-CG2 4.33Å
104Y94.6Very high93Very high137 Ų13763.4 Ų63.454%0.53734%0.342SS..Hα-helixtrans-61.4-45.4172.3-175.9-94.2000111.6G100 T102 K107 M108G100-Y104 VanDerWaalsContact O-CB 3.25Å; G100-Y104 WeakPolarHBondContact O-CB 3.38Å; G100-Y104 PolarHBondContact O-N 3.38Å; T102-Y104 PolarHBondContact O-N 2.85Å; Y104-K107 PolarHBondContact O-N 2.71Å; Y104-M108 HydrophobicContact CD1-CG 4.05Å; Y104-M108 HydrophobicContact CE1-CG 3.65Å; Y104-M108 HydrophobicContact CE1-SD 4.29Å; Y104-M108 WeakPolarHBondContact O-CG 3.32Å; Y104-M108 PolarHBondContact O-N 3.23Å
105S93.5Very high92.9Very high31 Ų3162.6 Ų62.622%0.21733%0.33CS..Hα-helixtrans-62.6-45.6179.9-54.30000111.8R101 T102 K107 M108 V109R101-S105 WeakPolarHBondContact O-CB 3.49Å; R101-S105 PolarHBondContact O-N 3.49Å; R101-S105 PolarHBondContact O-OG 2.96Å; T102-S105 PolarHBondContact O-N 2.96Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 3.41Å; S105-M108 PolarHBondContact O-N 3.05Å; S105-M108 VanDerWaalsContact O-N 3.13Å; S105-V109 PolarHBondContact O-N 3.01Å
106L94Very high92.4Very high1 Ų163 Ų631%0.00534%0.339CS..Hα-helixtrans-56.3-44.5175.3-75.8167.2000112.4A79 T83 T102 F103 M108 V109 N110 Y111 P114A79-L106 HydrophobicContact CB-CD1 4.24Å; A79-L106 HydrophobicContact CB-CD2 4.29Å; T83-L106 HydrophobicContact CG2-CB 4.08Å; T83-L106 HydrophobicContact CG2-CD1 4.37Å; T102-L106 HydrophobicContact CG2-CD1 4.14Å; T102-L106 WeakPolarHBondContact O-CG 3.5Å; T102-L106 PolarHBondContact O-N 2.86Å; F103-L106 HydrophobicContact CD1-CD1 4.21Å; L106-M108 PolarHBondContact O-N 3.34Å; L106-V109 WeakPolarHBondContact O-CG2 3.37Å; L106-V109 PolarHBondContact O-N 3.26Å; L106-N110 PolarHBondContact O-N 3.05Å; L106-Y111 HydrophobicContact CB-CD1 4.09Å; L106-Y111 HydrophobicContact CB-CE1 4.31Å; L106-Y111 PolarHBondContact O-N 3.22Å; L106-P114 HydrophobicContact CD2-CB 3.93Å
107K94.2Very high92.1Very high114 Ų11463.4 Ų63.450%0.49633%0.332SS..Hα-helixtrans-63.7-40.1177.4-172.1173.5-177.7173.30111.9F87 F103 Y104 S105 V109 N110F87-K107 HydrophobicContact CD2-CD 4.02Å; F87-K107 HydrophobicContact CE2-CB 4.36Å; F87-K107 HydrophobicContact CE2-CD 3.82Å; F103-K107 PolarHBondContact O-N 3.32Å; F103-K107 VanDerWaalsContact O-N 3.11Å; Y104-K107 PolarHBondContact O-N 2.71Å; S105-K107 VanDerWaalsContact C-N 3.33Å; S105-K107 PolarHBondContact O-N 3.41Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.83Å; K107-N110 PolarHBondContact O-N 3.1Å
108M93.8Very high92Very high127 Ų12759.1 Ų59.163%0.62629%0.288SS*.Hα-helixtrans-66.4-31.1-179.4-72.6-59-6100113.7Y104 S105 L106 N110Y104-M108 HydrophobicContact CD1-CG 4.05Å; Y104-M108 HydrophobicContact CE1-CG 3.65Å; Y104-M108 HydrophobicContact CE1-SD 4.29Å; Y104-M108 WeakPolarHBondContact O-CG 3.32Å; Y104-M108 PolarHBondContact O-N 3.23Å; S105-M108 PolarHBondContact O-N 3.05Å; S105-M108 VanDerWaalsContact O-N 3.13Å; L106-M108 PolarHBondContact O-N 3.34Å; M108-N110 VanDerWaalsContact C-N 3.32Å
109V93.7Very high91.9Very high59 Ų5958.9 Ų58.936%0.35829%0.289SS..THydrogen-bonded Turntrans-9311.6176.5-57.80000113.3S105 L106 K107 Y111 K112 H117S105-V109 PolarHBondContact O-N 3.01Å; L106-V109 WeakPolarHBondContact O-CG2 3.37Å; L106-V109 PolarHBondContact O-N 3.26Å; K107-V109 VanDerWaalsContact C-N 3.33Å; K107-V109 PolarHBondContact O-N 2.83Å; V109-Y111 PolarHBondContact O-N 2.82Å; V109-K112 PolarHBondContact O-N 3.36Å; V109-H117 VanDerWaalsContact CG2-NE2 3.31Å; V109-H117 WeakPolarHBondContact CG2-NE2 3.41Å
110N94.7Very high91.6Very high115 Ų11563.6 Ų63.662%0.61531%0.314SS*.THydrogen-bonded Turntrans5143.1-175.2-169.353.7000112.3L106 K107 M108 K112L106-N110 PolarHBondContact O-N 3.05Å; K107-N110 PolarHBondContact O-N 3.1Å; M108-N110 VanDerWaalsContact C-N 3.32Å; N110-K112 PolarHBondContact O-N 3.24Å
111Y94.6Very high91.2Very high25 Ų2563.5 Ų63.510%0.09831%0.31CS..THydrogen-bonded Turntrans62.98.6174.7-46.6-73.2000116.3E76 A79 K80 T83 L106 V109E76-Y111 WeakPolarHBondContact CG-O 3.4Å; A79-Y111 HydrophobicContact CB-CD1 4.09Å; K80-Y111 HydrophobicContact CB-CD1 4.22Å; K80-Y111 HydrophobicContact CB-CD2 4.07Å; K80-Y111 HydrophobicContact CB-CE1 4.15Å; K80-Y111 HydrophobicContact CB-CE2 3.99Å; K80-Y111 HydrophobicContact CB-CG 4.17Å; K80-Y111 HydrophobicContact CD-CD2 4.47Å; K80-Y111 HydrophobicContact CD-CE2 4.16Å; K80-Y111 HydrophobicContact CG-CD2 4.29Å; K80-Y111 HydrophobicContact CG-CE2 3.79Å; T83-Y111 HydrophobicContact CG2-CE1 3.76Å; T83-Y111 WeakPolarHBondContact OG1-CE1 3.49Å; T83-Y111 PolarHBondContact OG1-OH 3.43Å; L106-Y111 HydrophobicContact CB-CD1 4.09Å; L106-Y111 HydrophobicContact CB-CE1 4.31Å; L106-Y111 PolarHBondContact O-N 3.22Å; V109-Y111 PolarHBondContact O-N 2.82Å
112K92.6Very high91.1Very high140 Ų14059 Ų5961%0.60930%0.296SS*.SBendtrans-68.2142.2173.6-65-172.3177.3-175.90110.4V109 N110V109-K112 PolarHBondContact O-N 3.36Å; N110-K112 PolarHBondContact O-N 3.24Å
113D90.7Very high90.8Very high106 Ų10667 Ų6757%0.56734%0.339SS*.SBendtrans47.361.7-176.3-168.612.5000112.6Y115 A116D113-Y115 PolarHBondContact O-N 3.48Å; D113-A116 PolarHBondContact O-N 2.98Å; D113-A116 VanDerWaalsContact O-N 3.1Å
114P93.2Very high90.5Very high7 Ų769.6 Ų69.65%0.04537%0.366CS..THydrogen-bonded Turntrans-68.6-3.2-165.430.9-38.4000114A75 E76 A79 L106 L161A75-P114 HydrophobicContact CB-CG 3.72Å; E76-P114 HydrophobicContact CG-CG 4.3Å; A79-P114 HydrophobicContact CB-CB 3.89Å; L106-P114 HydrophobicContact CD2-CB 3.93Å; P114-L161 HydrophobicContact CB-CD2 3.63Å; P114-L161 HydrophobicContact CG-CD2 4.06Å
115Y92.7Very high90.2Very high47 Ų4766.7 Ų66.718%0.18436%0.362CS..THydrogen-bonded Turntrans-95-14.9178.5-52.5-63.8000113.6A75 D113 D157 R160 L161A75-Y115 HydrophobicContact CB-CE1 4.22Å; A75-Y115 HydrophobicContact CB-CE2 4.21Å; A75-Y115 WeakPolarHBondContact CB-OH 3.38Å; D113-Y115 PolarHBondContact O-N 3.48Å; Y115-D157 HydrophobicContact CE1-CB 4.23Å; Y115-D157 WeakPolarHBondContact CE1-O 3.27Å; Y115-D157 WeakPolarHBondContact OH-CB 3.23Å; Y115-R160 HydrophobicContact CD1-CB 4.02Å; Y115-R160 HydrophobicContact CE1-CB 4.47Å; Y115-L161 HydrophobicContact CD1-CD2 3.98Å; Y115-L161 HydrophobicContact CD1-CG 4.49Å; Y115-L161 HydrophobicContact CE1-CD2 3.84Å; Y115-L161 HydrophobicContact CE1-CG 4.19Å
116A86.4Confident90.2Very high35 Ų3565.2 Ų65.229%0.28935%0.352SS..Hα-helixtrans-63.9-46.1-17300000112.4D113 A118 A119D113-A116 PolarHBondContact O-N 2.98Å; D113-A116 VanDerWaalsContact O-N 3.1Å; A116-A118 PolarHBondContact O-N 2.97Å; A116-A119 PolarHBondContact O-N 3.49Å
117H86.5Confident90.3Very high38 Ų3865.7 Ų65.718%0.17636%0.355CS..Hα-helixtrans-73.9-30.2-169.4-60.1-50.2000114.5T102 V109 A119 D120T102-H117 HydrophobicContact CG2-CB 4.29Å; V109-H117 VanDerWaalsContact CG2-NE2 3.31Å; V109-H117 WeakPolarHBondContact CG2-NE2 3.41Å; H117-A119 VanDerWaalsContact C-N 3.3Å; H117-D120 PolarHBondContact O-N 2.84Å
118A87.2Confident90.4Very high1 Ų164.6 Ų64.61%0.00835%0.349CS..Hα-helixtrans-69.5-31.817800000111.9T102 A116 D120 L121 R160 T164T102-A118 HydrophobicContact CG2-CB 4.44Å; A116-A118 PolarHBondContact O-N 2.97Å; A118-D120 VanDerWaalsContact C-N 3.31Å; A118-D120 PolarHBondContact O-N 3.39Å; A118-L121 PolarHBondContact O-N 3.46Å; A118-R160 VanDerWaalsContact CB-O 3.25Å; A118-R160 WeakPolarHBondContact CB-O 3.47Å; A118-T164 HydrophobicContact CB-CG2 3.91Å; A118-T164 PolarHBondContact O-OG1 3.45Å
119A84.3Confident90.6Very high38 Ų3859.1 Ų59.131%0.31433%0.325SS..Hα-helixtrans-66.1-33175.800000112.6A116 H117 L121 G124 T164A116-A119 PolarHBondContact O-N 3.49Å; H117-A119 VanDerWaalsContact C-N 3.3Å; A119-L121 VanDerWaalsContact C-N 3.26Å; A119-L121 PolarHBondContact O-N 3.29Å; A119-G124 CarbonylContact O-C 3.31Å; A119-G124 VanDerWaalsContact O-C 3.31Å; A119-G124 WeakPolarHBondContact O-CA 3.45Å; A119-T164 WeakPolarHBondContact CA-OG1 3.32Å; A119-T164 HydrophobicContact CB-CG2 4.25Å
120D85.8Confident90.8Very high111 Ų11156.8 Ų56.859%0.59431%0.31SS*.THydrogen-bonded Turntrans-73.2-14.4-178.8-66.4-25.3000114H117 A118H117-D120 PolarHBondContact O-N 2.84Å; A118-D120 VanDerWaalsContact C-N 3.31Å; A118-D120 PolarHBondContact O-N 3.39Å
121L84.1Confident90.9Very high12 Ų1251.6 Ų51.66%0.06328%0.284CS..Hα-helixtrans-61.8148.2177.7-67.7-180000111.6T102 A118 A119 N123 G124 T125 G126T102-L121 WeakPolarHBondContact OG1-CD1 3.23Å; A118-L121 PolarHBondContact O-N 3.46Å; A119-L121 VanDerWaalsContact C-N 3.26Å; A119-L121 PolarHBondContact O-N 3.29Å; L121-N123 PolarHBondContact O-N 3.47Å; L121-G124 PolarHBondContact O-N 3.47Å; L121-T125 PolarHBondContact O-N 2.8Å; L121-G126 PolarHBondContact O-N 3Å
122F88Confident91.1Very high94 Ų9450.4 Ų50.441%0.41228%0.279SS..Hα-helixtrans5250.8175-54.3-77.4000113.2G124 T125F122-G124 VanDerWaalsContact C-N 3.32Å; F122-G124 PolarHBondContact O-N 3.04Å; F122-T125 WeakPolarHBondContact CB-OG1 3.29Å; F122-T125 PolarHBondContact O-N 3.22Å; F122-T125 PolarHBondContact O-OG1 2.79Å
123N87.3Confident91.4Very high170 Ų17043.8 Ų43.891%0.90925%0.251SS*.Hα-helixtrans58.439.9179.7-57.3-3.9000113.2L121 T125L121-N123 PolarHBondContact O-N 3.47Å; N123-T125 VanDerWaalsContact C-N 3.34Å
124G88.4Confident91.8Very high54 Ų5439 Ų3956%0.55723%0.225SC*.Hα-helixtrans85.41.9176.400000115A119 L121 F122A119-G124 CarbonylContact O-C 3.31Å; A119-G124 VanDerWaalsContact O-C 3.31Å; A119-G124 WeakPolarHBondContact O-CA 3.45Å; L121-G124 PolarHBondContact O-N 3.47Å; F122-G124 VanDerWaalsContact C-N 3.32Å; F122-G124 PolarHBondContact O-N 3.04Å
125T89.4Confident92.1Very high76 Ų7638.8 Ų38.847%0.46622%0.223SC..THydrogen-bonded Turntrans-85.9-20179.261.80000112.9L121 F122 N123 H165L121-T125 PolarHBondContact O-N 2.8Å; F122-T125 WeakPolarHBondContact CB-OG1 3.29Å; F122-T125 PolarHBondContact O-N 3.22Å; F122-T125 PolarHBondContact O-OG1 2.79Å; N123-T125 VanDerWaalsContact C-N 3.34Å; T125-H165 PolarHBondContact O-CD2 3.47Å
126G92.8Very high92.4Very high0 Ų036.5 Ų36.50%022%0.215CC..  trans78.1163.1-173.100000113.6L121 T164L121-G126 PolarHBondContact O-N 3Å; G126-T164 WeakPolarHBondContact CA-OG1 3.38Å
127S95.7Very high93Very high10 Ų1035.4 Ų35.47%0.0721%0.205CC..  trans-71.4129.2174.3-176.70000111.4G129 H163 H165 A168S127-G129 VanDerWaalsContact C-N 3.33Å; S127-G129 PolarHBondContact OG-N 3.35Å; S127-H163 WeakPolarHBondContact CB-CD2 3.42Å; S127-H163 PolarHBondContact O-CD2 3.03Å; S127-H163 PolarHBondContact OG-CD2 3.17Å; S127-H163 PolarHBondContact OG-NE2 3.38Å; S127-H163 VanDerWaalsContact OG-NE2 3.1Å; S127-H165 WeakPolarHBondContact O-CB 3.01Å; S127-A168 WeakPolarHBondContact O-CB 3.42Å
128Y96.2Very high93.5Very high92 Ų9233.6 Ų33.636%0.36120%0.197SC..  trans-92.210.7168.554.5-111.2000113.5K257 A258Y128-K257 HydrophobicContact CD2-CB 4.32Å; Y128-K257 HydrophobicContact CD2-CD 4.31Å; Y128-K257 HydrophobicContact CD2-CG 3.94Å; Y128-K257 HydrophobicContact CE2-CD 3.92Å; Y128-K257 HydrophobicContact CE2-CG 3.71Å; Y128-A258 PolarHBondContact O-N 3.42Å
129G97.6Very high94.1Very high12 Ų1233.6 Ų33.612%0.12420%0.197CC..BIsolated β-bridgetrans-63.3162.6177.700000113.7S127 G131 H163 A168 L256S127-G129 VanDerWaalsContact C-N 3.33Å; S127-G129 PolarHBondContact OG-N 3.35Å; G129-G131 VanDerWaalsContact C-N 3.31Å; G129-H163 PolarHBondContact O-CD2 3.39Å; G129-H163 PolarHBondContact O-NE2 3.09Å; G129-A168 VanDerWaalsContact O-CB 3.29Å; G129-A168 WeakPolarHBondContact O-CB 3.32Å; G129-L256 CarbonylContact C-O 3.53Å; G129-L256 WeakPolarHBondContact CA-O 3.19Å
130N98.5Very high94.8Very high9 Ų931.8 Ų31.85%0.04818%0.182CC..THydrogen-bonded Turntrans-80.5-3.8177.756.6-5.4000114.8G132 A133 M134 L256 A258 S261 D298 T301N130-G132 PolarHBondContact O-N 3.26Å; N130-A133 WeakPolarHBondContact O-CA 3.23Å; N130-A133 PolarHBondContact O-N 3.47Å; N130-M134 PolarHBondContact O-N 2.99Å; N130-L256 VanDerWaalsContact CG-O 3.31Å; N130-L256 PolarHBondContact N-O 2.83Å; N130-L256 PolarHBondContact OD1-O 3.33Å; N130-A258 HydrophobicContact CB-CB 4.44Å; N130-S261 WeakPolarHBondContact CB-OG 3.43Å; N130-S261 PolarHBondContact ND2-OG 3.42Å; N130-D298 PolarHBondContact ND2-OD2 3.37Å; N130-T301 HydrophobicContact CB-CG2 4.11Å; N130-T301 WeakPolarHBondContact ND2-CG2 3.5Å
131G98Very high95.4Very high7 Ų726.5 Ų26.57%0.07215%0.153CC..Hα-helixtrans-62.2-14.9-177.300000115.4G129 M134 R135G129-G131 VanDerWaalsContact C-N 3.31Å; G131-M134 VanDerWaalsContact CA-SD 3.53Å; G131-R135 WeakPolarHBondContact O-CD 3.25Å; G131-R135 WeakPolarHBondContact O-CG 3.37Å; G131-R135 PolarHBondContact O-NH1 3.49Å
132G98.2Very high96.1Very high0 Ų026 Ų260%015%0.151CC..Hα-helixtrans-73.3-38166.900000113.8N130 H163N130-G132 PolarHBondContact O-N 3.26Å; G132-H163 PolarHBondContact N-ND1 3.2Å
133A98.9Very high96.5Very high1 Ų121.5 Ų21.51%0.00813%0.131CC..Hα-helixtrans-83.5-38-17700000112.4N130 R135 I136 A172 Q175 V262 M305N130-A133 WeakPolarHBondContact O-CA 3.23Å; N130-A133 PolarHBondContact O-N 3.47Å; A133-R135 PolarHBondContact O-N 3.37Å; A133-R135 VanDerWaalsContact O-N 3.16Å; A133-I136 VanDerWaalsContact O-CG2 3.31Å; A133-I136 WeakPolarHBondContact O-CG2 3.47Å; A133-I136 PolarHBondContact O-N 2.95Å; A133-A172 HydrophobicContact CB-CB 4.47Å; A133-Q175 HydrophobicContact CB-CB 4.35Å; A133-V262 HydrophobicContact CB-CG2 3.63Å; A133-M305 HydrophobicContact CB-SD 3.6Å
134M98.7Very high97Very high6 Ų614.4 Ų14.43%0.039%0.093CC..Hα-helixtrans-54.9-36.3-178.883-174.5-171.800113.1D55 D56 M59 N130 G131 T301D55-M134 HydrophobicContact CB-CE 4.19Å; D55-M134 WeakPolarHBondContact OD2-CE 3.49Å; D56-M134 HydrophobicContact CB-CG 4.48Å; D56-M134 HydrophobicContact CB-SD 4.48Å; D56-M134 WeakPolarHBondContact OD2-CB 3.43Å; M59-M134 HydrophobicContact CB-CE 4.25Å; M59-M134 HydrophobicContact CG-CE 3.99Å; M59-M134 HydrophobicContact SD-CE 3.59Å; M59-M134 VanDerWaalsContact SD-CE 3.59Å; N130-M134 PolarHBondContact O-N 2.99Å; G131-M134 VanDerWaalsContact CA-SD 3.53Å; M134-T301 HydrophobicContact CB-CG2 3.53Å
135R98.7Very high97.3Very high1 Ų113 Ų130%0.0047%0.072CC..THydrogen-bonded Turntrans-99.72.4-173.569.5-177.8-176.3-1296.1114.9M59 S60 I63 G131 A133 A137 P138 V158 T159 T162M59-R135 HydrophobicContact CB-CB 3.84Å; M59-R135 HydrophobicContact CB-CG 4.39Å; M59-R135 PolarHBondContact SD-NH1 3.23Å; M59-R135 VanDerWaalsContact SD-NH1 3.36Å; S60-R135 WeakPolarHBondContact OG-CA 3.39Å; I63-R135 HydrophobicContact CD1-CB 3.96Å; I63-R135 HydrophobicContact CD1-CG 3.73Å; I63-R135 WeakPolarHBondContact CD1-O 3.5Å; G131-R135 WeakPolarHBondContact O-CD 3.25Å; G131-R135 WeakPolarHBondContact O-CG 3.37Å; G131-R135 PolarHBondContact O-NH1 3.49Å; A133-R135 PolarHBondContact O-N 3.37Å; A133-R135 VanDerWaalsContact O-N 3.16Å; R135-A137 PolarHBondContact O-N 3.14Å; R135-P138 WeakPolarHBondContact O-CD 3.21Å; R135-V158 PolarHBondContact NH2-O 2.89Å; R135-T159 PolarHBondContact NH2-O 2.85Å; R135-T162 PolarHBondContact NH1-OG1 2.9Å; R135-T162 PolarHBondContact NH2-OG1 2.87Å
136I98.8Very high97.6Very high0 Ų013 Ų130%06%0.064CC..  trans-83-15.1-161.8-152.361.1000113.8A133 A139 A140 I155 V158 A172 Q175 A176A133-I136 VanDerWaalsContact O-CG2 3.31Å; A133-I136 WeakPolarHBondContact O-CG2 3.47Å; A133-I136 PolarHBondContact O-N 2.95Å; I136-A139 HydrophobicContact CD1-CB 4.04Å; I136-A139 WeakPolarHBondContact O-CB 3.33Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-A140 PolarHBondContact O-N 2.92Å; I136-I155 HydrophobicContact CD1-CD1 4.2Å; I136-I155 HydrophobicContact CD1-CG2 3.98Å; I136-I155 HydrophobicContact CG1-CD1 3.95Å; I136-I155 HydrophobicContact CG1-CG2 3.86Å; I136-V158 HydrophobicContact CD1-CB 4.22Å; I136-V158 HydrophobicContact CD1-CG1 3.92Å; I136-A172 HydrophobicContact CG1-CB 4.43Å; I136-Q175 HydrophobicContact CG2-CB 3.83Å; I136-Q175 HydrophobicContact CG2-CG 3.57Å; I136-A176 HydrophobicContact CG1-CB 4.25Å; I136-A176 HydrophobicContact CG2-CB 4.24Å
137A98.8Very high97.7Very high11 Ų1115.9 Ų15.99%0.0918%0.084CC..Hα-helixtrans-55.6-46.9-174.600000113.8V10 R135 A139 A140 L141 I179V10-A137 HydrophobicContact CG1-CB 3.79Å; R135-A137 PolarHBondContact O-N 3.14Å; A137-A139 PolarHBondContact O-N 3.18Å; A137-A140 PolarHBondContact O-N 3.29Å; A137-L141 WeakPolarHBondContact O-CG 3.38Å; A137-L141 PolarHBondContact O-N 2.96Å; A137-I179 HydrophobicContact CB-CD1 3.72Å
138P98.8Very high97.7Very high1 Ų119.4 Ų19.41%0.00610%0.098CC..Hα-helixtrans-52.6-46.7170.5-33.438.8000115.2L11 I63 L64 R135 A140 L141 Y142L11-P138 HydrophobicContact CD2-CG 3.89Å; I63-P138 HydrophobicContact CB-CB 4.23Å; I63-P138 HydrophobicContact CG2-CB 3.76Å; L64-P138 HydrophobicContact CD1-CB 4.43Å; L64-P138 HydrophobicContact CD1-CG 4.02Å; L64-P138 HydrophobicContact CD2-CB 3.63Å; L64-P138 HydrophobicContact CD2-CG 4.11Å; L64-P138 HydrophobicContact CG-CB 3.68Å; L64-P138 HydrophobicContact CG-CG 3.77Å; R135-P138 WeakPolarHBondContact O-CD 3.21Å; P138-A140 VanDerWaalsContact C-N 3.35Å; P138-L141 PolarHBondContact O-N 3.42Å; P138-Y142 WeakPolarHBondContact O-CB 3.26Å; P138-Y142 PolarHBondContact O-N 2.94Å
139A98.7Very high97.7Very high0 Ų021.2 Ų21.20%010%0.104CC..Hα-helixtrans-67.3-38.2-179.200000111.2I63 I136 A137 G143 I154 I155 V158I63-A139 HydrophobicContact CG2-CB 4.19Å; I136-A139 HydrophobicContact CD1-CB 4.04Å; I136-A139 WeakPolarHBondContact O-CB 3.33Å; I136-A139 PolarHBondContact O-N 3.05Å; A137-A139 PolarHBondContact O-N 3.18Å; A139-G143 WeakPolarHBondContact O-CA 3.25Å; A139-G143 PolarHBondContact O-N 3.05Å; A139-I154 HydrophobicContact CB-CG2 4.06Å; A139-I155 HydrophobicContact CB-CD1 4.02Å; A139-V158 HydrophobicContact CB-CG2 4.28Å
140A98.7Very high97.7Very high0 Ų024.1 Ų24.10%012%0.117CC..Hα-helixtrans-62.8-49174.200000111.5I136 A137 P138 G143 L144 F151 I155 A176 I179I136-A140 PolarHBondContact O-N 2.92Å; A137-A140 PolarHBondContact O-N 3.29Å; P138-A140 VanDerWaalsContact C-N 3.35Å; A140-G143 CarbonylContact O-C 2.98Å; A140-G143 WeakPolarHBondContact O-CA 3.4Å; A140-G143 PolarHBondContact O-N 3.39Å; A140-G143 VanDerWaalsContact O-N 3.09Å; A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 3.28Å; A140-F151 HydrophobicContact CB-CE2 4.33Å; A140-F151 HydrophobicContact CB-CZ 4.25Å; A140-I155 HydrophobicContact CB-CD1 4.31Å; A140-A176 HydrophobicContact CB-CB 3.93Å; A140-I179 HydrophobicContact CB-CB 4.18Å; A140-I179 HydrophobicContact CB-CD1 3.94Å; A140-I179 HydrophobicContact CB-CG2 4.14Å
141L98.6Very high97.7Very high0 Ų023.7 Ų23.70%012%0.115CC..Hα-helixtrans-59.5-47.5177.1-71.6178.6000112.3F6 C7 V10 L11 A137 P138 G143 L144 I179 L345F6-L141 HydrophobicContact CD1-CD2 4.02Å; F6-L141 HydrophobicContact CE1-CD2 3.42Å; F6-L141 VanDerWaalsContact CE1-CD2 3.42Å; F6-L141 HydrophobicContact CZ-CD2 4.27Å; C7-L141 HydrophobicContact CB-CD1 4.46Å; V10-L141 HydrophobicContact CB-CD1 4.01Å; V10-L141 HydrophobicContact CB-CD2 4.13Å; V10-L141 HydrophobicContact CB-CG 4.37Å; V10-L141 HydrophobicContact CG1-CD1 3.82Å; V10-L141 HydrophobicContact CG1-CD2 4.14Å; V10-L141 HydrophobicContact CG1-CG 3.98Å; V10-L141 HydrophobicContact CG2-CD2 4.11Å; L11-L141 HydrophobicContact CD1-CD1 4.16Å; L11-L141 HydrophobicContact CD2-CD1 3.74Å; L11-L141 HydrophobicContact CG-CD1 3.63Å; A137-L141 WeakPolarHBondContact O-CG 3.38Å; A137-L141 PolarHBondContact O-N 2.96Å; P138-L141 PolarHBondContact O-N 3.42Å; L141-G143 PolarHBondContact O-N 3.27Å; L141-L144 HydrophobicContact CD2-CD1 4.01Å; L141-L144 PolarHBondContact O-N 2.98Å; L141-I179 HydrophobicContact CD2-CG2 4.17Å; L141-L345 HydrophobicContact CB-CD1 3.76Å; L141-L345 HydrophobicContact CB-CD2 4.44Å; L141-L345 HydrophobicContact CD1-CD1 3.76Å; L141-L345 HydrophobicContact CG-CD1 4.44Å
142Y98.2Very high97.7Very high2 Ų223.4 Ų23.41%0.00811%0.111CC..Hα-helixtrans-60.7-37.3174.9-175.5-89.7000111.6L67 N71 S72 P138 Y146 I154 W344 L345 R348L67-Y142 HydrophobicContact CB-CD2 4.08Å; L67-Y142 HydrophobicContact CB-CE2 4.15Å; L67-Y142 HydrophobicContact CD1-CD1 4.27Å; L67-Y142 HydrophobicContact CD1-CD2 4.1Å; L67-Y142 HydrophobicContact CD1-CG 3.8Å; L67-Y142 HydrophobicContact CD2-CD1 3.96Å; L67-Y142 HydrophobicContact CD2-CD2 4.44Å; L67-Y142 HydrophobicContact CD2-CE1 3.98Å; L67-Y142 HydrophobicContact CD2-CE2 4.44Å; L67-Y142 HydrophobicContact CD2-CG 4.21Å; L67-Y142 HydrophobicContact CG-CD2 4.46Å; L67-Y142 HydrophobicContact CG-CG 4.42Å; N71-Y142 PolarHBondContact O-OH 2.9Å; S72-Y142 WeakPolarHBondContact CA-OH 3.25Å; S72-Y142 PolarHBondContact N-OH 3.25Å; P138-Y142 WeakPolarHBondContact O-CB 3.26Å; P138-Y142 PolarHBondContact O-N 2.94Å; Y142-Y146 HydrophobicContact CD1-CD2 4.46Å; Y142-Y146 AromaticContact CD1-CE2 3.68Å; Y142-Y146 HydrophobicContact CD1-CE2 3.68Å; Y142-Y146 HydrophobicContact CE1-CD2 4.45Å; Y142-Y146 AromaticContact CE1-CE2 3.39Å; Y142-Y146 HydrophobicContact CE1-CE2 3.39Å; Y142-Y146 AromaticContact CE1-CZ 3.83Å; Y142-Y146 WeakPolarHBondContact CE1-OH 3.46Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.38Å; Y142-Y146 WeakPolarHBondContact O-CE2 3.48Å; Y142-Y146 PolarHBondContact OH-OH 3.47Å; Y142-I154 HydrophobicContact CD1-CD1 4.16Å; Y142-I154 HydrophobicContact CE1-CD1 4.32Å; Y142-W344 AromaticContact CD2-CH2 3.68Å; Y142-W344 HydrophobicContact CD2-CH2 3.68Å; Y142-W344 HydrophobicContact CD2-CZ2 4.34Å; Y142-W344 HydrophobicContact CD2-CZ3 4.43Å; Y142-W344 AromaticContact CE2-CH2 3.89Å; Y142-W344 HydrophobicContact CE2-CH2 3.89Å; Y142-W344 HydrophobicContact CE2-CZ2 4.18Å; Y142-L345 HydrophobicContact CD2-CD2 4.15Å; Y142-R348 VanDerWaalsContact CE2-CZ 3.48Å; Y142-R348 VanDerWaalsContact CE2-NE 3.35Å; Y142-R348 PolarHBondContact OH-NH2 3.38Å
143G97.8Very high97.7Very high0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-67-28.3179.600000115.1A139 A140 L141 Q145 Y146A139-G143 WeakPolarHBondContact O-CA 3.25Å; A139-G143 PolarHBondContact O-N 3.05Å; A140-G143 CarbonylContact O-C 2.98Å; A140-G143 WeakPolarHBondContact O-CA 3.4Å; A140-G143 PolarHBondContact O-N 3.39Å; A140-G143 VanDerWaalsContact O-N 3.09Å; L141-G143 PolarHBondContact O-N 3.27Å; G143-Q145 CarbonylContact O-C 3.43Å; G143-Q145 PolarHBondContact O-N 2.84Å; G143-Y146 PolarHBondContact O-N 3.04Å
144L97.4Very high97.7Very high20 Ų2027.9 Ų27.911%0.10513%0.131CC..THydrogen-bonded Turntrans-54.2-25-171.2-70.2176000114.1F6 A140 L141 Q180 F183 L349F6-L144 HydrophobicContact CE1-CD1 3.81Å; A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 3.28Å; L141-L144 HydrophobicContact CD2-CD1 4.01Å; L141-L144 PolarHBondContact O-N 2.98Å; L144-Q180 HydrophobicContact CD2-CB 3.95Å; L144-Q180 HydrophobicContact CD2-CG 4.02Å; L144-F183 HydrophobicContact CD1-CB 4.19Å; L144-F183 HydrophobicContact CD1-CD1 4.39Å; L144-F183 HydrophobicContact CD1-CD2 3.64Å; L144-F183 HydrophobicContact CD1-CE2 4.02Å; L144-F183 HydrophobicContact CD1-CG 3.82Å; L144-F183 HydrophobicContact CD2-CB 4.09Å; L144-F183 HydrophobicContact CD2-CD1 4.31Å; L144-F183 HydrophobicContact CD2-CG 4.17Å; L144-L349 HydrophobicContact CB-CD2 3.86Å; L144-L349 HydrophobicContact CD1-CD1 4.08Å; L144-L349 HydrophobicContact CD1-CD2 4.35Å
145Q93.7Very high97.7Very high26 Ų2627.6 Ų27.612%0.12113%0.13CC..THydrogen-bonded Turntrans-79.8-37.8177.280.1-178.9-42.300110.9G143 R352G143-Q145 CarbonylContact O-C 3.43Å; G143-Q145 PolarHBondContact O-N 2.84Å; Q145-R352 VanDerWaalsContact C-NH1 3.25Å; Q145-R352 VanDerWaalsContact CB-NE 3.34Å; Q145-R352 PolarHBondContact O-NH1 3.21Å; Q145-R352 PolarHBondContact O-NH2 3.4Å
146Y95.6Very high97.7Very high74 Ų7427.5 Ų27.529%0.2913%0.13SC..SBendtrans-71.4166.9-171-60.2-80.3000114.1Y142 G143 D150 I154 R348Y142-Y146 HydrophobicContact CD1-CD2 4.46Å; Y142-Y146 AromaticContact CD1-CE2 3.68Å; Y142-Y146 HydrophobicContact CD1-CE2 3.68Å; Y142-Y146 HydrophobicContact CE1-CD2 4.45Å; Y142-Y146 AromaticContact CE1-CE2 3.39Å; Y142-Y146 HydrophobicContact CE1-CE2 3.39Å; Y142-Y146 AromaticContact CE1-CZ 3.83Å; Y142-Y146 WeakPolarHBondContact CE1-OH 3.46Å; Y142-Y146 WeakPolarHBondContact O-CD2 3.38Å; Y142-Y146 WeakPolarHBondContact O-CE2 3.48Å; Y142-Y146 PolarHBondContact OH-OH 3.47Å; G143-Y146 PolarHBondContact O-N 3.04Å; Y146-D150 HydrophobicContact CG-CB 4.39Å; Y146-I154 HydrophobicContact CD2-CD1 3.71Å; Y146-I154 HydrophobicContact CE2-CD1 4.05Å; Y146-I154 HydrophobicContact CG-CD1 4.28Å; Y146-R348 PolarHBondContact OH-NH2 3.34Å
147S96Very high97.6Very high61 Ų6127.7 Ų27.743%0.42713%0.13SC..  trans-57.9160.4173.375.90000110.5R149 D150 F151S147-R149 VanDerWaalsContact C-N 3.26Å; S147-R149 PolarHBondContact O-N 3.13Å; S147-D150 PolarHBondContact O-N 2.85Å; S147-D150 VanDerWaalsContact O-N 3.1Å; S147-D150 WeakPolarHBondContact OG-CB 3.1Å; S147-D150 PolarHBondContact OG-N 2.91Å; S147-D150 PolarHBondContact OG-OD2 3.4Å; S147-F151 WeakPolarHBondContact O-CB 3.07Å; S147-F151 PolarHBondContact O-N 3.48Å
148K96Very high97.6Very high84 Ų8427.1 Ų27.137%0.36513%0.126SC..Hα-helixtrans-47.8-49.8175.6176.6-168.3163.8-159.10111.9D150 F151 E152 K207 E209K148-D150 PolarHBondContact O-N 2.95Å; K148-F151 WeakPolarHBondContact O-CB 3.45Å; K148-F151 PolarHBondContact O-N 3.41Å; K148-E152 WeakPolarHBondContact CE-OE1 3.31Å; K148-E152 WeakPolarHBondContact O-CG 3.16Å; K148-E152 PolarHBondContact O-N 3.45Å; K148-K207 WeakPolarHBondContact CE-O 3.32Å; K148-K207 PolarHBondContact NZ-O 3.45Å; K148-E209 IonicContact NZ-OE1 3.35Å; K148-E209 PolarHBondContact NZ-OE1 3.09Å
149R96.4Very high97.6Very high131 Ų13127.1 Ų27.149%0.49413%0.126SC..Hα-helixtrans-65.6-38.3-178.1-173.2-178.2-179.493.31.7112.6S147 K153S147-R149 VanDerWaalsContact C-N 3.26Å; S147-R149 PolarHBondContact O-N 3.13Å; R149-K153 WeakPolarHBondContact O-CB 3.46Å; R149-K153 PolarHBondContact O-N 3.07Å
150D97.3Very high97.5Very high73 Ų7328.8 Ų28.839%0.3913%0.132SC..Hα-helixtrans-73.9-36.6178.4-67.4-39.3000112Y146 S147 K148 K153 I154Y146-D150 HydrophobicContact CG-CB 4.39Å; S147-D150 PolarHBondContact O-N 2.85Å; S147-D150 VanDerWaalsContact O-N 3.1Å; S147-D150 WeakPolarHBondContact OG-CB 3.1Å; S147-D150 PolarHBondContact OG-N 2.91Å; S147-D150 PolarHBondContact OG-OD2 3.4Å; K148-D150 PolarHBondContact O-N 2.95Å; D150-K153 WeakPolarHBondContact O-CB 3.47Å; D150-K153 PolarHBondContact O-N 3.49Å; D150-I154 VanDerWaalsContact O-CG1 3.29Å; D150-I154 WeakPolarHBondContact O-CG1 3.46Å; D150-I154 PolarHBondContact O-N 2.99Å
151F98.1Very high97.4Very high0 Ų028.9 Ų28.90%013%0.133CC..Hα-helixtrans-55.7-55.5169.4178.5-85.4000109.6A140 S147 K148 K153 I154 I155 A176 Y177 Q180A140-F151 HydrophobicContact CB-CE2 4.33Å; A140-F151 HydrophobicContact CB-CZ 4.25Å; S147-F151 WeakPolarHBondContact O-CB 3.07Å; S147-F151 PolarHBondContact O-N 3.48Å; K148-F151 WeakPolarHBondContact O-CB 3.45Å; K148-F151 PolarHBondContact O-N 3.41Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 2.92Å; F151-I154 PolarHBondContact O-N 3.17Å; F151-I154 VanDerWaalsContact O-N 3.1Å; F151-I155 HydrophobicContact CD1-CG1 3.97Å; F151-I155 HydrophobicContact CE1-CD1 4.32Å; F151-I155 HydrophobicContact CE1-CG1 3.67Å; F151-I155 HydrophobicContact CZ-CD1 4.19Å; F151-I155 HydrophobicContact CZ-CG1 4.04Å; F151-I155 WeakPolarHBondContact O-CG1 3.45Å; F151-I155 PolarHBondContact O-N 2.67Å; F151-A176 HydrophobicContact CE1-CB 3.98Å; F151-A176 HydrophobicContact CZ-CB 3.78Å; F151-Y177 HydrophobicContact CD1-CD1 4.3Å; F151-Y177 HydrophobicContact CD1-CE1 4.01Å; F151-Y177 AromaticContact CE1-CD1 3.71Å; F151-Y177 HydrophobicContact CE1-CD1 3.71Å; F151-Y177 AromaticContact CE1-CE1 3.84Å; F151-Y177 HydrophobicContact CE1-CE1 3.84Å; F151-Q180 HydrophobicContact CE2-CB 4.27Å; F151-Q180 HydrophobicContact CZ-CB 4.08Å
152E98.3Very high97.3Very high0 Ų028.9 Ų28.90%013%0.133CC..Hα-helixtrans-54.4-44.6176.9-73.3171.8-169.200112.1K148 I154 I155 I156 Y177 T208 E209 Y210K148-E152 WeakPolarHBondContact CE-OE1 3.31Å; K148-E152 WeakPolarHBondContact O-CG 3.16Å; K148-E152 PolarHBondContact O-N 3.45Å; E152-I154 PolarHBondContact O-N 3.06Å; E152-I155 PolarHBondContact O-N 2.94Å; E152-I156 HydrophobicContact CB-CD1 4.45Å; E152-I156 VanDerWaalsContact O-CB 3.32Å; E152-I156 WeakPolarHBondContact O-CB 3.39Å; E152-I156 VanDerWaalsContact O-CG1 3.28Å; E152-I156 WeakPolarHBondContact O-CG1 3.37Å; E152-I156 PolarHBondContact O-N 3.49Å; E152-Y177 HydrophobicContact CG-CE1 4.35Å; E152-Y177 WeakPolarHBondContact CG-OH 3.31Å; E152-Y177 PolarHBondContact OE1-OH 2.97Å; E152-Y177 VanDerWaalsContact OE1-OH 3.09Å; E152-T208 HydrophobicContact CG-CG2 4.14Å; E152-E209 PolarHBondContact OE2-N 3.2Å; E152-Y210 PolarHBondContact OE2-N 3.31Å; E152-Y210 VanDerWaalsContact OE2-N 3.12Å
153K98.2Very high97.2Very high80 Ų8029.6 Ų29.635%0.34814%0.136SC..Hα-helixtrans-56.9-48.8176.4180179.8-169.4-46.10112R149 D150 F151 D157 Y210R149-K153 WeakPolarHBondContact O-CB 3.46Å; R149-K153 PolarHBondContact O-N 3.07Å; D150-K153 WeakPolarHBondContact O-CB 3.47Å; D150-K153 PolarHBondContact O-N 3.49Å; F151-K153 VanDerWaalsContact C-N 3.29Å; F151-K153 PolarHBondContact O-N 2.92Å; K153-D157 IonicContact NZ-OD2 2.7Å; K153-D157 PolarHBondContact NZ-OD2 3.37Å; K153-D157 VanDerWaalsContact O-CB 3.24Å; K153-D157 WeakPolarHBondContact O-CB 3.24Å; K153-D157 PolarHBondContact O-N 3.41Å; K153-Y210 HydrophobicContact CB-CD1 4.11Å; K153-Y210 HydrophobicContact CB-CD2 4.16Å; K153-Y210 HydrophobicContact CB-CE1 4.12Å; K153-Y210 HydrophobicContact CB-CE2 4.19Å; K153-Y210 HydrophobicContact CB-CG 4.12Å; K153-Y210 HydrophobicContact CD-CE2 4.22Å; K153-Y210 HydrophobicContact CG-CD1 4.44Å; K153-Y210 HydrophobicContact CG-CD2 4.36Å; K153-Y210 HydrophobicContact CG-CE1 3.94Å; K153-Y210 HydrophobicContact CG-CE2 3.88Å
154I98.4Very high97.1Very high15 Ų1530.7 Ų30.78%0.07714%0.143CC..Hα-helixtrans-61.1-48.1-179.7-67.8167.8000110.2L73 A139 Y142 Y146 D150 F151 E152 V158L73-I154 HydrophobicContact CD2-CG2 4.5Å; A139-I154 HydrophobicContact CB-CG2 4.06Å; Y142-I154 HydrophobicContact CD1-CD1 4.16Å; Y142-I154 HydrophobicContact CE1-CD1 4.32Å; Y146-I154 HydrophobicContact CD2-CD1 3.71Å; Y146-I154 HydrophobicContact CE2-CD1 4.05Å; Y146-I154 HydrophobicContact CG-CD1 4.28Å; D150-I154 VanDerWaalsContact O-CG1 3.29Å; D150-I154 WeakPolarHBondContact O-CG1 3.46Å; D150-I154 PolarHBondContact O-N 2.99Å; F151-I154 PolarHBondContact O-N 3.17Å; F151-I154 VanDerWaalsContact O-N 3.1Å; E152-I154 PolarHBondContact O-N 3.06Å; I154-V158 WeakPolarHBondContact O-CB 3.06Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 3.35Å; I154-V158 VanDerWaalsContact O-N 3.11Å
155I98.7Very high97Very high0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-59.9-53.2-179.4-60.1-41000110.6I136 A139 A140 F151 E152 D157 V158 T159 A172 L173 A176I136-I155 HydrophobicContact CD1-CD1 4.2Å; I136-I155 HydrophobicContact CD1-CG2 3.98Å; I136-I155 HydrophobicContact CG1-CD1 3.95Å; I136-I155 HydrophobicContact CG1-CG2 3.86Å; A139-I155 HydrophobicContact CB-CD1 4.02Å; A140-I155 HydrophobicContact CB-CD1 4.31Å; F151-I155 HydrophobicContact CD1-CG1 3.97Å; F151-I155 HydrophobicContact CE1-CD1 4.32Å; F151-I155 HydrophobicContact CE1-CG1 3.67Å; F151-I155 HydrophobicContact CZ-CD1 4.19Å; F151-I155 HydrophobicContact CZ-CG1 4.04Å; F151-I155 WeakPolarHBondContact O-CG1 3.45Å; F151-I155 PolarHBondContact O-N 2.67Å; E152-I155 PolarHBondContact O-N 2.94Å; I155-D157 PolarHBondContact O-N 3.41Å; I155-V158 PolarHBondContact O-N 3.12Å; I155-T159 PolarHBondContact O-N 3.48Å; I155-T159 PolarHBondContact O-OG1 3.43Å; I155-A172 HydrophobicContact CG2-CB 4.33Å; I155-L173 HydrophobicContact CB-CD2 4.24Å; I155-L173 HydrophobicContact CG2-CD2 3.91Å; I155-L173 HydrophobicContact CG2-CG 4.29Å; I155-A176 HydrophobicContact CD1-CB 3.69Å; I155-A176 HydrophobicContact CG1-CB 3.67Å; I155-A176 HydrophobicContact CG2-CB 4.01Å
156I98.4Very high97.2Very high0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-67.5-41.9-173.3-68.9167.8000111.4E152 T159 R160 I169 L173 T208 Y210 F211 V212E152-I156 HydrophobicContact CB-CD1 4.45Å; E152-I156 VanDerWaalsContact O-CB 3.32Å; E152-I156 WeakPolarHBondContact O-CB 3.39Å; E152-I156 VanDerWaalsContact O-CG1 3.28Å; E152-I156 WeakPolarHBondContact O-CG1 3.37Å; E152-I156 PolarHBondContact O-N 3.49Å; I156-T159 PolarHBondContact O-N 3.18Å; I156-R160 HydrophobicContact CG2-CG 4.05Å; I156-R160 WeakPolarHBondContact O-CB 3.39Å; I156-R160 WeakPolarHBondContact O-CD 3.43Å; I156-R160 WeakPolarHBondContact O-CG 3.4Å; I156-R160 PolarHBondContact O-N 3.01Å; I156-I169 HydrophobicContact CD1-CG2 4.49Å; I156-I169 HydrophobicContact CG1-CG2 3.92Å; I156-I169 HydrophobicContact CG2-CG2 4.38Å; I156-L173 HydrophobicContact CD1-CD1 4.1Å; I156-L173 HydrophobicContact CD1-CD2 4.13Å; I156-L173 HydrophobicContact CD1-CG 4.49Å; I156-L173 HydrophobicContact CG1-CD1 4.21Å; I156-L173 HydrophobicContact CG1-CD2 3.98Å; I156-L173 HydrophobicContact CG1-CG 4.19Å; I156-T208 HydrophobicContact CD1-CG2 4.08Å; I156-Y210 HydrophobicContact CB-CD1 3.95Å; I156-Y210 HydrophobicContact CB-CE1 4.12Å; I156-Y210 HydrophobicContact CD1-CD1 3.83Å; I156-Y210 WeakPolarHBondContact CD1-O 3.08Å; I156-Y210 HydrophobicContact CG1-CD1 4.47Å; I156-Y210 HydrophobicContact CG2-CD1 4.08Å; I156-Y210 HydrophobicContact CG2-CE1 4.01Å; I156-F211 HydrophobicContact CD1-CB 4.48Å; I156-F211 HydrophobicContact CG2-CB 3.86Å; I156-F211 HydrophobicContact CG2-CD1 3.84Å; I156-F211 HydrophobicContact CG2-CG 3.98Å; I156-V212 HydrophobicContact CD1-CG2 4.19Å
157D98.1Very high97.3Very high3 Ų328.7 Ų28.72%0.01614%0.137CC..Hα-helixtrans-68-39.2179.9-75.2-8.5000111.6L73 Y115 K153 I155 T159 R160 L161 Y210L73-D157 HydrophobicContact CD2-CB 3.64Å; Y115-D157 HydrophobicContact CE1-CB 4.23Å; Y115-D157 WeakPolarHBondContact CE1-O 3.27Å; Y115-D157 WeakPolarHBondContact OH-CB 3.23Å; K153-D157 IonicContact NZ-OD2 2.7Å; K153-D157 PolarHBondContact NZ-OD2 3.37Å; K153-D157 VanDerWaalsContact O-CB 3.24Å; K153-D157 WeakPolarHBondContact O-CB 3.24Å; K153-D157 PolarHBondContact O-N 3.41Å; I155-D157 PolarHBondContact O-N 3.41Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 PolarHBondContact O-N 3.1Å; D157-R160 PolarHBondContact O-N 3.09Å; D157-R160 IonicContact OD1-NH1 2.98Å; D157-R160 PolarHBondContact OD1-NH1 3.17Å; D157-L161 PolarHBondContact O-N 3.08Å; D157-Y210 WeakPolarHBondContact OD1-CE1 3.4Å; D157-Y210 PolarHBondContact OD1-OH 3.44Å; D157-Y210 PolarHBondContact OD2-OH 3.14Å; D157-Y210 VanDerWaalsContact OD2-OH 3.08Å
158V98.4Very high97.4Very high0 Ų025.8 Ų25.80%012%0.116CC..Hα-helixtrans-60.7-40.7172.3168.20000111.6I63 L73 L78 R135 I136 A139 I154 I155I63-V158 HydrophobicContact CD1-CG1 3.53Å; I63-V158 HydrophobicContact CG1-CG1 4.01Å; L73-V158 HydrophobicContact CD1-CG2 3.61Å; L73-V158 HydrophobicContact CD2-CG2 4.09Å; L78-V158 HydrophobicContact CD2-CB 4.36Å; L78-V158 HydrophobicContact CD2-CG1 4.21Å; L78-V158 HydrophobicContact CD2-CG2 3.79Å; R135-V158 PolarHBondContact NH2-O 2.89Å; I136-V158 HydrophobicContact CD1-CB 4.22Å; I136-V158 HydrophobicContact CD1-CG1 3.92Å; A139-V158 HydrophobicContact CB-CG2 4.28Å; I154-V158 WeakPolarHBondContact O-CB 3.06Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 3.35Å; I154-V158 VanDerWaalsContact O-N 3.11Å; I155-V158 PolarHBondContact O-N 3.12Å
159T98.2Very high97.5Very high0 Ų021.8 Ų21.80%010%0.099CC..Hα-helixtrans-68.3-45.9179.4-59.50000111.9R135 I155 I156 D157 L161 T162 H163 I169 A172R135-T159 PolarHBondContact NH2-O 2.85Å; I155-T159 PolarHBondContact O-N 3.48Å; I155-T159 PolarHBondContact O-OG1 3.43Å; I156-T159 PolarHBondContact O-N 3.18Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 PolarHBondContact O-N 3.1Å; T159-L161 PolarHBondContact O-N 3.49Å; T159-L161 VanDerWaalsContact O-N 3.12Å; T159-T162 PolarHBondContact O-N 3.4Å; T159-H163 CarbonylContact C-O 3.56Å; T159-H163 HydrophobicContact CG2-CB 3.96Å; T159-H163 PolarHBondContact O-N 2.57Å; T159-I169 HydrophobicContact CG2-CG1 4.11Å; T159-A172 HydrophobicContact CG2-CB 3.94Å; T159-A172 WeakPolarHBondContact OG1-CB 3.4Å
160R96.5Very high97.6Very high36 Ų3615.5 Ų15.514%0.1368%0.075CC..Hα-helixtrans-64.6-16.4-175.4-75.2168.163.7-146.20.4115Y115 A118 I156 D157 T162 H163 T164 I169 F211Y115-R160 HydrophobicContact CD1-CB 4.02Å; Y115-R160 HydrophobicContact CE1-CB 4.47Å; A118-R160 VanDerWaalsContact CB-O 3.25Å; A118-R160 WeakPolarHBondContact CB-O 3.47Å; I156-R160 HydrophobicContact CG2-CG 4.05Å; I156-R160 WeakPolarHBondContact O-CB 3.39Å; I156-R160 WeakPolarHBondContact O-CD 3.43Å; I156-R160 WeakPolarHBondContact O-CG 3.4Å; I156-R160 PolarHBondContact O-N 3.01Å; D157-R160 PolarHBondContact O-N 3.09Å; D157-R160 IonicContact OD1-NH1 2.98Å; D157-R160 PolarHBondContact OD1-NH1 3.17Å; R160-T162 PolarHBondContact O-N 2.87Å; R160-H163 WeakPolarHBondContact CA-O 3.34Å; R160-T164 HydrophobicContact CB-CG2 4.36Å; R160-T164 HydrophobicContact CG-CG2 4.45Å; R160-I169 HydrophobicContact CG-CD1 3.88Å; R160-I169 HydrophobicContact CG-CG1 4.48Å; R160-F211 HydrophobicContact CG-CE1 4.31Å; R160-F211 VanDerWaalsContact NE-CE2 3.29Å
161L96.4Very high97.7Very high1 Ų112 Ų121%0.0056%0.057CC..THydrogen-bonded Turntrans-57.8-24170-71.1176.9000112.8A75 L78 A79 F82 P114 Y115 D157 T159A75-L161 HydrophobicContact CB-CD2 4.43Å; L78-L161 HydrophobicContact CB-CD1 3.99Å; L78-L161 HydrophobicContact CD2-CD1 3.56Å; L78-L161 HydrophobicContact CG-CD1 3.61Å; A79-L161 HydrophobicContact CB-CD2 4.29Å; F82-L161 HydrophobicContact CD2-CD1 4.16Å; F82-L161 HydrophobicContact CE2-CB 4.23Å; F82-L161 HydrophobicContact CE2-CD1 3.73Å; P114-L161 HydrophobicContact CB-CD2 3.63Å; P114-L161 HydrophobicContact CG-CD2 4.06Å; Y115-L161 HydrophobicContact CD1-CD2 3.98Å; Y115-L161 HydrophobicContact CD1-CG 4.49Å; Y115-L161 HydrophobicContact CE1-CD2 3.84Å; Y115-L161 HydrophobicContact CE1-CG 4.19Å; D157-L161 PolarHBondContact O-N 3.08Å; T159-L161 PolarHBondContact O-N 3.49Å; T159-L161 VanDerWaalsContact O-N 3.12Å
162T96.4Very high97.7Very high1 Ų112 Ų121%0.0066%0.057CC..THydrogen-bonded Turntrans-139.4-21.2179.574.90000114.9M59 I99 F103 R135 T159 R160M59-T162 HydrophobicContact CE-CG2 4.28Å; I99-T162 VanDerWaalsContact CD1-CB 3.45Å; I99-T162 HydrophobicContact CD1-CG2 3.52Å; F103-T162 HydrophobicContact CE1-CG2 3.85Å; F103-T162 HydrophobicContact CZ-CG2 4.33Å; R135-T162 PolarHBondContact NH1-OG1 2.9Å; R135-T162 PolarHBondContact NH2-OG1 2.87Å; T159-T162 PolarHBondContact O-N 3.4Å; R160-T162 PolarHBondContact O-N 2.87Å
163H96.6Very high97.7Very high16 Ų1612 Ų127%0.0746%0.057CC..  trans-132.3109.8-177.8-67.981.5000110.4S127 G129 G132 T159 R160 A168S127-H163 WeakPolarHBondContact CB-CD2 3.42Å; S127-H163 PolarHBondContact O-CD2 3.03Å; S127-H163 PolarHBondContact OG-CD2 3.17Å; S127-H163 PolarHBondContact OG-NE2 3.38Å; S127-H163 VanDerWaalsContact OG-NE2 3.1Å; G129-H163 PolarHBondContact O-CD2 3.39Å; G129-H163 PolarHBondContact O-NE2 3.09Å; G132-H163 PolarHBondContact N-ND1 3.2Å; T159-H163 CarbonylContact C-O 3.56Å; T159-H163 HydrophobicContact CG2-CB 3.96Å; T159-H163 PolarHBondContact O-N 2.57Å; R160-H163 WeakPolarHBondContact CA-O 3.34Å; H163-A168 HydrophobicContact CB-CB 3.63Å
164T95.2Very high97.7Very high23 Ų238.2 Ų8.214%0.1414%0.04CC..  trans-108.5-8-179.852.50000113.2A118 A119 G126 R160 I169A118-T164 HydrophobicContact CB-CG2 3.91Å; A118-T164 PolarHBondContact O-OG1 3.45Å; A119-T164 WeakPolarHBondContact CA-OG1 3.32Å; A119-T164 HydrophobicContact CB-CG2 4.25Å; G126-T164 WeakPolarHBondContact CA-OG1 3.38Å; R160-T164 HydrophobicContact CB-CG2 4.36Å; R160-T164 HydrophobicContact CG-CG2 4.45Å; T164-I169 WeakPolarHBondContact O-CD1 3.48Å
165H96Very high97.8Very high40 Ų407.7 Ų7.719%0.1854%0.037CC..SBendtrans-68.9137.3179.1-168.4-77.7000110.6T125 S127 L167 A168 I169T125-H165 PolarHBondContact O-CD2 3.47Å; S127-H165 WeakPolarHBondContact O-CB 3.01Å; H165-L167 VanDerWaalsContact C-N 3.33Å; H165-L167 PolarHBondContact ND1-N 3.35Å; H165-L167 VanDerWaalsContact ND1-N 3.14Å; H165-L167 PolarHBondContact O-N 2.95Å; H165-A168 PolarHBondContact O-N 2.68Å; H165-I169 PolarHBondContact O-N 2.78Å; H165-I169 VanDerWaalsContact O-N 3.12Å
166P97.3Very high97.8Very high5 Ų57.7 Ų7.73%0.0324%0.037CC..Hα-helixtrans-49.3-45.4179.3-34.539.2000114.9A168 I169 C170 N218 W219 A222P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 2.86Å; P166-I169 PolarHBondContact O-N 2.59Å; P166-C170 WeakPolarHBondContact O-CB 3.4Å; P166-C170 PolarHBondContact O-N 3.47Å; P166-C170 PolarHBondContact O-SG 3.45Å; P166-C170 VanDerWaalsContact O-SG 3.34Å; P166-N218 HydrophobicContact CG-CB 4.13Å; P166-W219 HydrophobicContact CB-CD2 3.85Å; P166-W219 HydrophobicContact CB-CE3 3.57Å; P166-W219 HydrophobicContact CB-CG 4.4Å; P166-W219 HydrophobicContact CB-CH2 4.49Å; P166-W219 HydrophobicContact CB-CZ3 3.91Å; P166-W219 HydrophobicContact CG-CD2 3.82Å; P166-W219 HydrophobicContact CG-CE3 4.04Å; P166-W219 HydrophobicContact CG-CG 4.22Å; P166-W219 HydrophobicContact CG-CZ2 4.34Å; P166-W219 HydrophobicContact CG-CZ3 4.38Å; P166-A222 HydrophobicContact CB-CB 3.59Å
167L97.9Very high97.8Very high33 Ų337.8 Ų7.817%0.1734%0.038CC..Hα-helixtrans-54.2-42.2174.6-69.8173.9000113.6H165 G171 A222 A225 Y226 I259H165-L167 VanDerWaalsContact C-N 3.33Å; H165-L167 PolarHBondContact ND1-N 3.35Å; H165-L167 VanDerWaalsContact ND1-N 3.14Å; H165-L167 PolarHBondContact O-N 2.95Å; L167-G171 PolarHBondContact O-N 3.31Å; L167-A222 HydrophobicContact CD2-CB 3.79Å; L167-A222 HydrophobicContact CG-CB 4.14Å; L167-A225 HydrophobicContact CD2-CB 4.07Å; L167-Y226 HydrophobicContact CD2-CE2 4.33Å; L167-Y226 WeakPolarHBondContact O-CE2 3.34Å; L167-Y226 PolarHBondContact O-OH 3.45Å; L167-Y226 VanDerWaalsContact O-OH 3.08Å; L167-I259 HydrophobicContact CD1-CG2 4.46Å; L167-I259 HydrophobicContact CD2-CB 4.2Å; L167-I259 HydrophobicContact CD2-CD1 4.38Å; L167-I259 HydrophobicContact CD2-CG1 4.28Å
168A98.1Very high97.8Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-73-38.7179.900000112.2S127 G129 H163 H165 P166 G171 A172S127-A168 WeakPolarHBondContact O-CB 3.42Å; G129-A168 VanDerWaalsContact O-CB 3.29Å; G129-A168 WeakPolarHBondContact O-CB 3.32Å; H163-A168 HydrophobicContact CB-CB 3.63Å; H165-A168 PolarHBondContact O-N 2.68Å; P166-A168 VanDerWaalsContact C-N 3.31Å; P166-A168 PolarHBondContact O-N 2.86Å; A168-G171 PolarHBondContact O-N 3.47Å; A168-A172 PolarHBondContact O-N 3.09Å
169I98.2Very high97.9Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-65.7-46.6177.2-66.1172.7000110.6I156 T159 R160 T164 H165 P166 G171 A172 L173 F211 W219I156-I169 HydrophobicContact CD1-CG2 4.49Å; I156-I169 HydrophobicContact CG1-CG2 3.92Å; I156-I169 HydrophobicContact CG2-CG2 4.38Å; T159-I169 HydrophobicContact CG2-CG1 4.11Å; R160-I169 HydrophobicContact CG-CD1 3.88Å; R160-I169 HydrophobicContact CG-CG1 4.48Å; T164-I169 WeakPolarHBondContact O-CD1 3.48Å; H165-I169 PolarHBondContact O-N 2.78Å; H165-I169 VanDerWaalsContact O-N 3.12Å; P166-I169 PolarHBondContact O-N 2.59Å; I169-G171 VanDerWaalsContact C-N 3.27Å; I169-G171 PolarHBondContact O-N 3.06Å; I169-A172 PolarHBondContact O-N 2.76Å; I169-L173 HydrophobicContact CG2-CD1 4.03Å; I169-L173 WeakPolarHBondContact O-CG 3.34Å; I169-L173 PolarHBondContact O-N 3.28Å; I169-F211 HydrophobicContact CD1-CD1 4.22Å; I169-F211 HydrophobicContact CD1-CE1 3.89Å; I169-W219 HydrophobicContact CB-CH2 3.97Å; I169-W219 HydrophobicContact CB-CZ3 4.06Å; I169-W219 HydrophobicContact CD1-CH2 3.58Å; I169-W219 HydrophobicContact CD1-CZ2 4.27Å; I169-W219 HydrophobicContact CD1-CZ3 4.48Å; I169-W219 HydrophobicContact CG1-CH2 4.35Å; I169-W219 HydrophobicContact CG2-CH2 3.87Å; I169-W219 HydrophobicContact CG2-CZ3 4Å
170C98.5Very high97.9Very high0 Ų09 Ų90%04%0.044CC..Hα-helixtrans-59.6-38.9174.3-69.90000111.6P166 L173 M174 L205 Y226P166-C170 WeakPolarHBondContact O-CB 3.4Å; P166-C170 PolarHBondContact O-N 3.47Å; P166-C170 PolarHBondContact O-SG 3.45Å; P166-C170 VanDerWaalsContact O-SG 3.34Å; C170-L173 PolarHBondContact O-N 2.94Å; C170-M174 WeakPolarHBondContact O-CB 3.2Å; C170-M174 VanDerWaalsContact O-CG 3.28Å; C170-M174 WeakPolarHBondContact O-CG 3.2Å; C170-M174 PolarHBondContact O-N 2.95Å; C170-L205 HydrophobicContact CB-CD1 4.11Å; C170-L205 HydrophobicContact CB-CD2 4.09Å; C170-Y226 HydrophobicContact CB-CD2 3.54Å; C170-Y226 HydrophobicContact CB-CE2 3.39Å
171G98.7Very high98Very high0 Ų08.2 Ų8.20%04%0.042CC..Hα-helixtrans-62.4-45.517500000113.8L167 A168 I169 M174 Q175 Y226L167-G171 PolarHBondContact O-N 3.31Å; A168-G171 PolarHBondContact O-N 3.47Å; I169-G171 VanDerWaalsContact C-N 3.27Å; I169-G171 PolarHBondContact O-N 3.06Å; G171-M174 PolarHBondContact O-N 3.05Å; G171-Q175 PolarHBondContact O-N 2.95Å; G171-Y226 WeakPolarHBondContact CA-OH 3.33Å; G171-Y226 PolarHBondContact N-OH 2.7Å
172A98.9Very high98.1Very high0 Ų08.3 Ų8.30%04%0.042CC..Hα-helixtrans-65-40.8176.700000112.2A133 I136 I155 T159 A168 I169 Q175 A176A133-A172 HydrophobicContact CB-CB 4.47Å; I136-A172 HydrophobicContact CG1-CB 4.43Å; I155-A172 HydrophobicContact CG2-CB 4.33Å; T159-A172 HydrophobicContact CG2-CB 3.94Å; T159-A172 WeakPolarHBondContact OG1-CB 3.4Å; A168-A172 PolarHBondContact O-N 3.09Å; I169-A172 PolarHBondContact O-N 2.76Å; A172-Q175 PolarHBondContact O-N 3.33Å; A172-A176 VanDerWaalsContact O-CB 3.31Å; A172-A176 WeakPolarHBondContact O-CB 3.3Å; A172-A176 PolarHBondContact O-N 3.27Å
173L98.8Very high98.1Very high0 Ų09.7 Ų9.70%05%0.048CC..Hα-helixtrans-61.2-44.1172.6-75.2167.1000111.8I155 I156 I169 C170 Q175 A176 Y177 L205 T208 V212I155-L173 HydrophobicContact CB-CD2 4.24Å; I155-L173 HydrophobicContact CG2-CD2 3.91Å; I155-L173 HydrophobicContact CG2-CG 4.29Å; I156-L173 HydrophobicContact CD1-CD1 4.1Å; I156-L173 HydrophobicContact CD1-CD2 4.13Å; I156-L173 HydrophobicContact CD1-CG 4.49Å; I156-L173 HydrophobicContact CG1-CD1 4.21Å; I156-L173 HydrophobicContact CG1-CD2 3.98Å; I156-L173 HydrophobicContact CG1-CG 4.19Å; I169-L173 HydrophobicContact CG2-CD1 4.03Å; I169-L173 WeakPolarHBondContact O-CG 3.34Å; I169-L173 PolarHBondContact O-N 3.28Å; C170-L173 PolarHBondContact O-N 2.94Å; L173-Q175 PolarHBondContact O-N 3.4Å; L173-A176 PolarHBondContact O-N 3.34Å; L173-Y177 HydrophobicContact CB-CD2 4.23Å; L173-Y177 HydrophobicContact CB-CE2 3.95Å; L173-Y177 HydrophobicContact CD2-CE2 4.15Å; L173-Y177 VanDerWaalsContact O-CB 3.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.29Å; L173-Y177 WeakPolarHBondContact O-CD2 3.34Å; L173-Y177 VanDerWaalsContact O-CG 3.22Å; L173-Y177 PolarHBondContact O-N 3.05Å; L173-L205 HydrophobicContact CB-CD1 3.99Å; L173-L205 HydrophobicContact CD1-CD1 3.95Å; L173-T208 HydrophobicContact CD1-CG2 3.85Å; L173-T208 HydrophobicContact CD2-CG2 4.45Å; L173-V212 HydrophobicContact CD1-CG2 4.42Å
174M98.7Very high98.1Very high0 Ų011.5 Ų11.50%06%0.062CC..Hα-helixtrans-59.8-47.7178.1-80.6-63.2-155.100112.1C170 G171 A178 L201 L202 L205 Y226 L230 V262C170-M174 WeakPolarHBondContact O-CB 3.2Å; C170-M174 VanDerWaalsContact O-CG 3.28Å; C170-M174 WeakPolarHBondContact O-CG 3.2Å; C170-M174 PolarHBondContact O-N 2.95Å; G171-M174 PolarHBondContact O-N 3.05Å; M174-A178 WeakPolarHBondContact O-CB 3.42Å; M174-A178 PolarHBondContact O-N 3.34Å; M174-L201 HydrophobicContact SD-CB 4.11Å; M174-L202 HydrophobicContact CE-CD2 3.66Å; M174-L202 HydrophobicContact CE-CG 4.31Å; M174-L205 HydrophobicContact CE-CB 4.06Å; M174-L205 HydrophobicContact CE-CD2 3.62Å; M174-L205 HydrophobicContact CE-CG 4.43Å; M174-L205 HydrophobicContact CG-CD2 4.24Å; M174-L205 HydrophobicContact SD-CB 4.31Å; M174-L205 HydrophobicContact SD-CD2 4.35Å; M174-Y226 HydrophobicContact CE-CD1 4.41Å; M174-Y226 HydrophobicContact CG-CD1 4.09Å; M174-Y226 HydrophobicContact CG-CE1 4.28Å; M174-L230 HydrophobicContact CE-CD1 3.33Å; M174-L230 HydrophobicContact CE-CG 4.46Å; M174-L230 HydrophobicContact SD-CD1 4.24Å; M174-V262 HydrophobicContact CB-CG1 3.92Å
175Q98.9Very high98.2Very high3 Ų311.9 Ų11.91%0.0146%0.063CC..Hα-helixtrans-62.6-43.8176.9179.862.811.900111.6A133 I136 G171 A172 L173 A178 I179 M305A133-Q175 HydrophobicContact CB-CB 4.35Å; I136-Q175 HydrophobicContact CG2-CB 3.83Å; I136-Q175 HydrophobicContact CG2-CG 3.57Å; G171-Q175 PolarHBondContact O-N 2.95Å; A172-Q175 PolarHBondContact O-N 3.33Å; L173-Q175 PolarHBondContact O-N 3.4Å; Q175-A178 PolarHBondContact O-N 3.1Å; Q175-I179 WeakPolarHBondContact O-CG1 3.36Å; Q175-I179 PolarHBondContact O-N 3.2Å; Q175-M305 HydrophobicContact CG-CG 4.32Å; Q175-M305 HydrophobicContact CG-SD 4.46Å; Q175-M305 PolarHBondContact NE2-O 3.08Å
176A98.9Very high98.2Very high0 Ų012 Ų120%07%0.065CC..Hα-helixtrans-67.7-42.7179.800000112.8I136 A140 F151 I155 A172 L173 A178 I179 Q180I136-A176 HydrophobicContact CG1-CB 4.25Å; I136-A176 HydrophobicContact CG2-CB 4.24Å; A140-A176 HydrophobicContact CB-CB 3.93Å; F151-A176 HydrophobicContact CE1-CB 3.98Å; F151-A176 HydrophobicContact CZ-CB 3.78Å; I155-A176 HydrophobicContact CD1-CB 3.69Å; I155-A176 HydrophobicContact CG1-CB 3.67Å; I155-A176 HydrophobicContact CG2-CB 4.01Å; A172-A176 VanDerWaalsContact O-CB 3.31Å; A172-A176 WeakPolarHBondContact O-CB 3.3Å; A172-A176 PolarHBondContact O-N 3.27Å; L173-A176 PolarHBondContact O-N 3.34Å; A176-A178 VanDerWaalsContact C-N 3.3Å; A176-A178 PolarHBondContact O-N 3.43Å; A176-I179 PolarHBondContact O-N 3.35Å; A176-Q180 PolarHBondContact O-N 2.92Å
177Y98.8Very high98.1Very high3 Ų315.7 Ų15.71%0.0128%0.082CC..Hα-helixtrans-64-36.1175-70.6-35000111.8F151 E152 L173 I179 Q180 M181 K204 T208F151-Y177 HydrophobicContact CD1-CD1 4.3Å; F151-Y177 HydrophobicContact CD1-CE1 4.01Å; F151-Y177 AromaticContact CE1-CD1 3.71Å; F151-Y177 HydrophobicContact CE1-CD1 3.71Å; F151-Y177 AromaticContact CE1-CE1 3.84Å; F151-Y177 HydrophobicContact CE1-CE1 3.84Å; E152-Y177 HydrophobicContact CG-CE1 4.35Å; E152-Y177 WeakPolarHBondContact CG-OH 3.31Å; E152-Y177 PolarHBondContact OE1-OH 2.97Å; E152-Y177 VanDerWaalsContact OE1-OH 3.09Å; L173-Y177 HydrophobicContact CB-CD2 4.23Å; L173-Y177 HydrophobicContact CB-CE2 3.95Å; L173-Y177 HydrophobicContact CD2-CE2 4.15Å; L173-Y177 VanDerWaalsContact O-CB 3.3Å; L173-Y177 WeakPolarHBondContact O-CB 3.29Å; L173-Y177 WeakPolarHBondContact O-CD2 3.34Å; L173-Y177 VanDerWaalsContact O-CG 3.22Å; L173-Y177 PolarHBondContact O-N 3.05Å; Y177-I179 VanDerWaalsContact C-N 3.34Å; Y177-I179 PolarHBondContact O-N 3.46Å; Y177-Q180 PolarHBondContact O-N 2.8Å; Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 VanDerWaalsContact O-CG 3.28Å; Y177-M181 WeakPolarHBondContact O-CG 3.28Å; Y177-M181 PolarHBondContact O-N 3.35Å; Y177-K204 HydrophobicContact CD1-CD 4.45Å; Y177-K204 HydrophobicContact CD2-CB 3.89Å; Y177-K204 HydrophobicContact CE2-CB 4.05Å; Y177-K204 HydrophobicContact CG-CB 4.14Å; Y177-K204 HydrophobicContact CG-CD 4.39Å; Y177-T208 PolarHBondContact OH-OG1 3.35Å
178A98.9Very high98Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-60.9-44.3174.500000111.1M174 Q175 A176 M181 I182 F197 L201 L266 L309M174-A178 WeakPolarHBondContact O-CB 3.42Å; M174-A178 PolarHBondContact O-N 3.34Å; Q175-A178 PolarHBondContact O-N 3.1Å; A176-A178 VanDerWaalsContact C-N 3.3Å; A176-A178 PolarHBondContact O-N 3.43Å; A178-M181 PolarHBondContact O-N 3.15Å; A178-I182 WeakPolarHBondContact O-CB 3.21Å; A178-I182 WeakPolarHBondContact O-CG1 3.41Å; A178-I182 PolarHBondContact O-N 3.05Å; A178-F197 HydrophobicContact CB-CE1 4.37Å; A178-F197 HydrophobicContact CB-CZ 3.97Å; A178-L201 HydrophobicContact CB-CD1 4.3Å; A178-L201 HydrophobicContact CB-CD2 4.06Å; A178-L266 HydrophobicContact CB-CD2 4.02Å; A178-L309 HydrophobicContact CB-CD1 3.99Å; A178-L309 HydrophobicContact CB-CD2 3.55Å; A178-L309 HydrophobicContact CB-CG 4.44Å
179I98.9Very high97.8Very high1 Ų126.7 Ų26.71%0.00514%0.135CC..Hα-helixtrans-60.7-46.6173.5-65.1167.8000111.3F6 V10 A137 A140 L141 Q175 A176 Y177 M181 I182 F183 L309F6-I179 HydrophobicContact CZ-CG2 4.14Å; V10-I179 HydrophobicContact CG1-CD1 4.04Å; V10-I179 HydrophobicContact CG1-CG1 4.47Å; V10-I179 HydrophobicContact CG1-CG2 4.42Å; V10-I179 HydrophobicContact CG2-CG2 4.28Å; A137-I179 HydrophobicContact CB-CD1 3.72Å; A140-I179 HydrophobicContact CB-CB 4.18Å; A140-I179 HydrophobicContact CB-CD1 3.94Å; A140-I179 HydrophobicContact CB-CG2 4.14Å; L141-I179 HydrophobicContact CD2-CG2 4.17Å; Q175-I179 WeakPolarHBondContact O-CG1 3.36Å; Q175-I179 PolarHBondContact O-N 3.2Å; A176-I179 PolarHBondContact O-N 3.35Å; Y177-I179 VanDerWaalsContact C-N 3.34Å; Y177-I179 PolarHBondContact O-N 3.46Å; I179-M181 VanDerWaalsContact C-N 3.33Å; I179-M181 PolarHBondContact O-N 2.92Å; I179-I182 PolarHBondContact O-N 3.4Å; I179-F183 WeakPolarHBondContact O-CB 3.48Å; I179-F183 PolarHBondContact O-N 3.48Å; I179-L309 HydrophobicContact CG1-CD2 3.63Å
180Q98.4Very high97.7Very high28 Ų2831 Ų3113%0.13116%0.157CC..Hα-helixtrans-61.7-39.6178.6-176.9-174.977.400112.7L144 F151 A176 Y177 F183 S184L144-Q180 HydrophobicContact CD2-CB 3.95Å; L144-Q180 HydrophobicContact CD2-CG 4.02Å; F151-Q180 HydrophobicContact CE2-CB 4.27Å; F151-Q180 HydrophobicContact CZ-CB 4.08Å; A176-Q180 PolarHBondContact O-N 2.92Å; Y177-Q180 PolarHBondContact O-N 2.8Å; Q180-F183 WeakPolarHBondContact O-CB 3.31Å; Q180-S184 PolarHBondContact O-N 2.77Å; Q180-S184 VanDerWaalsContact O-N 3.14Å; Q180-S184 PolarHBondContact O-OG 3.46Å
181M98.4Very high97.6Very high19 Ų1938.9 Ų38.99%0.09419%0.194CC..Hα-helixtrans-71.5-42.9178.4-74.3174.855.300111.7Y177 A178 I179 F183 S184 L185 F197 N200 L201 K204Y177-M181 WeakPolarHBondContact O-CB 3.49Å; Y177-M181 VanDerWaalsContact O-CG 3.28Å; Y177-M181 WeakPolarHBondContact O-CG 3.28Å; Y177-M181 PolarHBondContact O-N 3.35Å; A178-M181 PolarHBondContact O-N 3.15Å; I179-M181 VanDerWaalsContact C-N 3.33Å; I179-M181 PolarHBondContact O-N 2.92Å; M181-F183 VanDerWaalsContact C-N 3.29Å; M181-F183 PolarHBondContact O-N 2.93Å; M181-S184 PolarHBondContact O-N 3.3Å; M181-S184 VanDerWaalsContact O-N 3.14Å; M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.1Å; M181-F197 HydrophobicContact CB-CD2 4.41Å; M181-F197 HydrophobicContact CB-CE2 3.74Å; M181-F197 HydrophobicContact CB-CZ 4.48Å; M181-F197 HydrophobicContact CE-CD2 3.65Å; M181-F197 HydrophobicContact CE-CE2 3.91Å; M181-F197 HydrophobicContact CE-CG 4.22Å; M181-F197 WeakPolarHBondContact CE-O 3.29Å; M181-N200 HydrophobicContact CE-CB 3.39Å; M181-N200 HydrophobicContact SD-CB 4.25Å; M181-L201 HydrophobicContact CE-CG 4.13Å; M181-L201 HydrophobicContact SD-CB 4.44Å; M181-L201 HydrophobicContact SD-CD2 3.52Å; M181-L201 VanDerWaalsContact SD-CD2 3.52Å; M181-L201 HydrophobicContact SD-CG 3.71Å; M181-K204 HydrophobicContact CG-CD 3.93Å; M181-K204 HydrophobicContact SD-CD 3.66Å
182I98.5Very high97.5Very high2 Ų239.8 Ų39.81%0.0120%0.198CC..Hα-helixtrans-58-44.2173.6-70.4169.5000110.3F6 A178 I179 S184 L185 I186 F197 F269 L309 Y313F6-I182 HydrophobicContact CE2-CG2 3.91Å; A178-I182 WeakPolarHBondContact O-CB 3.21Å; A178-I182 WeakPolarHBondContact O-CG1 3.41Å; A178-I182 PolarHBondContact O-N 3.05Å; I179-I182 PolarHBondContact O-N 3.4Å; I182-S184 VanDerWaalsContact C-N 3.31Å; I182-S184 PolarHBondContact O-N 3.49Å; I182-L185 PolarHBondContact O-N 3.32Å; I182-I186 HydrophobicContact CG2-CD1 3.72Å; I182-I186 HydrophobicContact CG2-CG1 4.4Å; I182-I186 VanDerWaalsContact O-CG1 3.28Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 3.3Å; I182-F197 HydrophobicContact CD1-CZ 4.38Å; I182-F197 HydrophobicContact CG1-CE2 3.97Å; I182-F197 HydrophobicContact CG1-CZ 4.01Å; I182-F269 HydrophobicContact CD1-CE1 3.83Å; I182-F269 HydrophobicContact CD1-CE2 4.35Å; I182-F269 HydrophobicContact CD1-CZ 3.62Å; I182-F269 HydrophobicContact CG1-CE1 4.48Å; I182-F269 HydrophobicContact CG1-CZ 4.23Å; I182-L309 HydrophobicContact CD1-CB 3.8Å; I182-L309 HydrophobicContact CD1-CD2 3.72Å; I182-L309 HydrophobicContact CD1-CG 4.3Å; I182-Y313 HydrophobicContact CG2-CD2 4.16Å
183F97.9Very high97.4Very high31 Ų3143.3 Ų43.314%0.13622%0.217CC..Hα-helixtrans-55.2-47174.7176.5-97000112.1M1 Y3 F6 L144 I179 Q180 M181 I186 H187 L349M1-F183 HydrophobicContact CE-CD2 3.5Å; M1-F183 HydrophobicContact CE-CE2 3.91Å; M1-F183 HydrophobicContact CE-CG 4.34Å; M1-F183 HydrophobicContact SD-CD2 3.9Å; M1-F183 HydrophobicContact SD-CE2 3.83Å; M1-F183 HydrophobicContact SD-CZ 4.47Å; Y3-F183 AromaticContact CD1-CE2 3.85Å; Y3-F183 HydrophobicContact CD1-CE2 3.85Å; Y3-F183 HydrophobicContact CD1-CZ 4.3Å; Y3-F183 AromaticContact CE1-CE2 3.72Å; Y3-F183 HydrophobicContact CE1-CE2 3.72Å; Y3-F183 AromaticContact CE1-CZ 3.72Å; Y3-F183 HydrophobicContact CE1-CZ 3.72Å; F6-F183 AromaticContact CD1-CD2 3.78Å; F6-F183 HydrophobicContact CD1-CD2 3.78Å; F6-F183 HydrophobicContact CD1-CE2 4.45Å; F6-F183 HydrophobicContact CE1-CB 3.99Å; F6-F183 AromaticContact CE1-CD2 3.59Å; F6-F183 HydrophobicContact CE1-CD2 3.59Å; F6-F183 HydrophobicContact CE1-CG 4.25Å; F6-F183 HydrophobicContact CE2-CB 4.21Å; F6-F183 HydrophobicContact CG-CD2 4.38Å; F6-F183 HydrophobicContact CZ-CB 3.62Å; F6-F183 HydrophobicContact CZ-CD2 4.05Å; F6-F183 HydrophobicContact CZ-CG 4.35Å; L144-F183 HydrophobicContact CD1-CB 4.19Å; L144-F183 HydrophobicContact CD1-CD1 4.39Å; L144-F183 HydrophobicContact CD1-CD2 3.64Å; L144-F183 HydrophobicContact CD1-CE2 4.02Å; L144-F183 HydrophobicContact CD1-CG 3.82Å; L144-F183 HydrophobicContact CD2-CB 4.09Å; L144-F183 HydrophobicContact CD2-CD1 4.31Å; L144-F183 HydrophobicContact CD2-CG 4.17Å; I179-F183 WeakPolarHBondContact O-CB 3.48Å; I179-F183 PolarHBondContact O-N 3.48Å; Q180-F183 WeakPolarHBondContact O-CB 3.31Å; M181-F183 VanDerWaalsContact C-N 3.29Å; M181-F183 PolarHBondContact O-N 2.93Å; F183-I186 PolarHBondContact O-N 3.01Å; F183-H187 WeakPolarHBondContact O-CB 3.09Å; F183-H187 PolarHBondContact O-N 3.02Å; F183-L349 HydrophobicContact CE2-CD1 4.19Å
184S96.9Very high97.3Very high53 Ų5345.9 Ų45.937%0.37123%0.227SC..Hα-helixtrans-64.6-44.9179.5-51.10000111.6Q180 M181 I182 I186 H187 D188Q180-S184 PolarHBondContact O-N 2.77Å; Q180-S184 VanDerWaalsContact O-N 3.14Å; Q180-S184 PolarHBondContact O-OG 3.46Å; M181-S184 PolarHBondContact O-N 3.3Å; M181-S184 VanDerWaalsContact O-N 3.14Å; I182-S184 VanDerWaalsContact C-N 3.31Å; I182-S184 PolarHBondContact O-N 3.49Å; S184-I186 PolarHBondContact O-N 3.5Å; S184-H187 PolarHBondContact O-N 2.95Å; S184-D188 WeakPolarHBondContact O-CB 3.44Å; S184-D188 PolarHBondContact O-N 3.35Å
185L97.4Very high97.3Very high31 Ų3148.3 Ų48.316%0.16224%0.242CC..Hα-helixtrans-58.3-44.8177.4-71.3172.6000112.2M181 I182 H189 I190 L192 F197M181-L185 WeakPolarHBondContact O-CG 3.43Å; M181-L185 PolarHBondContact O-N 3.1Å; I182-L185 PolarHBondContact O-N 3.32Å; L185-H189 PolarHBondContact O-N 3.07Å; L185-I190 HydrophobicContact CD2-CB 3.74Å; L185-I190 HydrophobicContact CD2-CG2 3.58Å; L185-I190 PolarHBondContact O-N 3.41Å; L185-L192 HydrophobicContact CD1-CB 4.08Å; L185-L192 HydrophobicContact CD1-CD1 3.99Å; L185-L192 HydrophobicContact CD1-CG 4.07Å; L185-F197 HydrophobicContact CD1-CD2 3.94Å; L185-F197 HydrophobicContact CD1-CE2 4.18Å
186I95.9Very high97.2Very high42 Ų4251.7 Ų51.722%0.21526%0.263CS..Hα-helixtrans-69.5-41.3179.1-61.7163000111M1 F6 I182 F183 S184 D188 H189 G312M1-I186 HydrophobicContact CE-CB 3.89Å; M1-I186 HydrophobicContact CE-CD1 4.15Å; M1-I186 HydrophobicContact CE-CG2 3.78Å; M1-I186 HydrophobicContact CG-CG2 3.93Å; M1-I186 HydrophobicContact SD-CB 4.21Å; M1-I186 HydrophobicContact SD-CG2 4Å; F6-I186 HydrophobicContact CD2-CD1 3.59Å; F6-I186 HydrophobicContact CE2-CD1 3.87Å; I182-I186 HydrophobicContact CG2-CD1 3.72Å; I182-I186 HydrophobicContact CG2-CG1 4.4Å; I182-I186 VanDerWaalsContact O-CG1 3.28Å; I182-I186 WeakPolarHBondContact O-CG1 3.34Å; I182-I186 PolarHBondContact O-N 3.3Å; F183-I186 PolarHBondContact O-N 3.01Å; S184-I186 PolarHBondContact O-N 3.5Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 2.98Å; I186-H189 PolarHBondContact O-N 3.03Å; I186-G312 WeakPolarHBondContact CD1-O 3.29Å
187H94.1Very high97.2Very high84 Ų8452 Ų5239%0.38926%0.264SS..Hα-helixtrans-58.9-43.7177.7-171.386.2000111.5M1 F183 S184 H189M1-H187 HydrophobicContact SD-CB 3.94Å; F183-H187 WeakPolarHBondContact O-CB 3.09Å; F183-H187 PolarHBondContact O-N 3.02Å; S184-H187 PolarHBondContact O-N 2.95Å; H187-H189 VanDerWaalsContact C-N 3.33Å
188D95.3Very high97.2Very high99 Ų9951.8 Ų51.853%0.52926%0.264SS..THydrogen-bonded Turntrans-893.4-177.3-63-26.3000113.4S184 I186 I190S184-D188 WeakPolarHBondContact O-CB 3.44Å; S184-D188 PolarHBondContact O-N 3.35Å; I186-D188 VanDerWaalsContact C-N 3.29Å; I186-D188 PolarHBondContact O-N 2.98Å; D188-I190 HydrophobicContact CB-CD1 3.71Å; D188-I190 HydrophobicContact CB-CG1 3.82Å; D188-I190 PolarHBondContact O-N 3.48Å
189H94.9Very high97.2Very high164 Ų16455 Ų5576%0.75928%0.28SS*.THydrogen-bonded Turntrans5536.1-176.8-58.3-74000114.1L185 I186 H187L185-H189 PolarHBondContact O-N 3.07Å; I186-H189 PolarHBondContact O-N 3.03Å; H187-H189 VanDerWaalsContact C-N 3.33Å
190I96.4Very high97.2Very high91 Ų9158.1 Ų58.147%0.46730%0.298SS..PPolyproline II helixtrans-94.3125.3179.9-59.3173.7000109.5L185 D188L185-I190 HydrophobicContact CD2-CB 3.74Å; L185-I190 HydrophobicContact CD2-CG2 3.58Å; L185-I190 PolarHBondContact O-N 3.41Å; D188-I190 HydrophobicContact CB-CD1 3.71Å; D188-I190 HydrophobicContact CB-CG1 3.82Å; D188-I190 PolarHBondContact O-N 3.48Å
191Q95.6Very high97.2Very high166 Ų16656.8 Ų56.878%0.77629%0.291SS*.PPolyproline II helixtrans-68.7134.1172.6-175.5174.8-7.500110.6D193Q191-D193 PolarHBondContact O-N 3.48Å
192L97.3Very high97.2Very high18 Ų1856.5 Ų56.59%0.09429%0.29CS..PPolyproline II helixtrans-68.2121177.9-170.7154.6000111L185 F197 F269 L270 L273 Y313L185-L192 HydrophobicContact CD1-CB 4.08Å; L185-L192 HydrophobicContact CD1-CD1 3.99Å; L185-L192 HydrophobicContact CD1-CG 4.07Å; L192-F197 HydrophobicContact CD1-CB 4.46Å; L192-F197 HydrophobicContact CD1-CD1 4.4Å; L192-F197 HydrophobicContact CD1-CD2 3.68Å; L192-F197 HydrophobicContact CD1-CE2 3.93Å; L192-F197 HydrophobicContact CD1-CG 3.94Å; L192-F197 HydrophobicContact CD1-CZ 4.39Å; L192-F197 HydrophobicContact CD2-CB 4.13Å; L192-F197 HydrophobicContact CD2-CG 4.39Å; L192-F197 HydrophobicContact CG-CB 4.11Å; L192-F197 HydrophobicContact CG-CD2 4.07Å; L192-F197 HydrophobicContact CG-CG 4.14Å; L192-F269 HydrophobicContact CD1-CE1 3.98Å; L192-F269 HydrophobicContact CD1-CZ 3.87Å; L192-L270 HydrophobicContact CD1-CD2 4.22Å; L192-L270 HydrophobicContact CD2-CD2 3.53Å; L192-L273 HydrophobicContact CD1-CD1 4.34Å; L192-L273 HydrophobicContact CD2-CD1 3.94Å; L192-Y313 HydrophobicContact CB-CE2 3.59Å; L192-Y313 WeakPolarHBondContact CB-OH 3.21Å; L192-Y313 HydrophobicContact CD1-CD2 4.31Å; L192-Y313 HydrophobicContact CD1-CE2 4.17Å; L192-Y313 PolarHBondContact N-OH 3.31Å; L192-Y313 VanDerWaalsContact N-OH 3.1Å
193D97.2Very high97.1Very high75 Ų7560.3 Ų60.340%0.40131%0.308SS..PPolyproline II helixtrans-98.3123.8160.1170.362000109.2Q191 V195 T196 F197Q191-D193 PolarHBondContact O-N 3.48Å; D193-V195 VanDerWaalsContact C-N 3.3Å; D193-V195 PolarHBondContact O-N 2.84Å; D193-V195 PolarHBondContact OD2-N 3.22Å; D193-T196 PolarHBondContact O-N 3.36Å; D193-T196 VanDerWaalsContact OD2-CB 3.27Å; D193-T196 WeakPolarHBondContact OD2-CB 3.42Å; D193-T196 PolarHBondContact OD2-N 3.11Å; D193-T196 PolarHBondContact OD2-OG1 3.16Å; D193-F197 WeakPolarHBondContact O-CB 3.17Å; D193-F197 PolarHBondContact O-N 3.01Å
194Y96.9Very high97.1Very high54 Ų5462.1 Ų62.121%0.21232%0.315CS..Hα-helixtrans-68.9-29.5-169.971.7-96.6000112.9I198 L237Y194-I198 WeakPolarHBondContact O-CB 3.49Å; Y194-I198 VanDerWaalsContact O-CG1 3.32Å; Y194-I198 WeakPolarHBondContact O-CG1 3.35Å; Y194-I198 PolarHBondContact O-N 3.08Å; Y194-L237 HydrophobicContact CD2-CB 3.96Å; Y194-L237 HydrophobicContact CD2-CD1 3.71Å; Y194-L237 HydrophobicContact CE2-CB 3.8Å; Y194-L237 HydrophobicContact CE2-CD1 4.37Å; Y194-L237 HydrophobicContact CG-CB 4.42Å; Y194-L237 HydrophobicContact CG-CD1 4.02Å
195V97.5Very high97.2Very high51 Ų5159.6 Ų59.631%0.30930%0.298SS..Hα-helixtrans-68.1-54178177.80000109.1D193 F197 I198 D199 K234D193-V195 VanDerWaalsContact C-N 3.3Å; D193-V195 PolarHBondContact O-N 2.84Å; D193-V195 PolarHBondContact OD2-N 3.22Å; V195-F197 VanDerWaalsContact C-N 3.3Å; V195-F197 PolarHBondContact O-N 2.95Å; V195-I198 PolarHBondContact O-N 3.28Å; V195-D199 PolarHBondContact O-N 2.8Å; V195-K234 HydrophobicContact CG1-CD 4.18Å
196T97.9Very high97.1Very high74 Ų7462 Ų6245%0.45431%0.308SS..Hα-helixtrans-60.5-39.7178-53.80000111.5D193 D199 N200D193-T196 PolarHBondContact O-N 3.36Å; D193-T196 VanDerWaalsContact OD2-CB 3.27Å; D193-T196 WeakPolarHBondContact OD2-CB 3.42Å; D193-T196 PolarHBondContact OD2-N 3.11Å; D193-T196 PolarHBondContact OD2-OG1 3.16Å; T196-D199 PolarHBondContact O-N 3.46Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.42Å; T196-N200 PolarHBondContact O-N 3.22Å; T196-N200 PolarHBondContact O-ND2 3.15Å
197F98.4Very high97.2Very high5 Ų565.3 Ų65.32%0.02232%0.321CS..Hα-helixtrans-62.1-46.3176.8-174.2-99.4000112A178 M181 I182 L185 L192 D193 V195 L201 L266 F269 L270A178-F197 HydrophobicContact CB-CE1 4.37Å; A178-F197 HydrophobicContact CB-CZ 3.97Å; M181-F197 HydrophobicContact CB-CD2 4.41Å; M181-F197 HydrophobicContact CB-CE2 3.74Å; M181-F197 HydrophobicContact CB-CZ 4.48Å; M181-F197 HydrophobicContact CE-CD2 3.65Å; M181-F197 HydrophobicContact CE-CE2 3.91Å; M181-F197 HydrophobicContact CE-CG 4.22Å; M181-F197 WeakPolarHBondContact CE-O 3.29Å; I182-F197 HydrophobicContact CD1-CZ 4.38Å; I182-F197 HydrophobicContact CG1-CE2 3.97Å; I182-F197 HydrophobicContact CG1-CZ 4.01Å; L185-F197 HydrophobicContact CD1-CD2 3.94Å; L185-F197 HydrophobicContact CD1-CE2 4.18Å; L192-F197 HydrophobicContact CD1-CB 4.46Å; L192-F197 HydrophobicContact CD1-CD1 4.4Å; L192-F197 HydrophobicContact CD1-CD2 3.68Å; L192-F197 HydrophobicContact CD1-CE2 3.93Å; L192-F197 HydrophobicContact CD1-CG 3.94Å; L192-F197 HydrophobicContact CD1-CZ 4.39Å; L192-F197 HydrophobicContact CD2-CB 4.13Å; L192-F197 HydrophobicContact CD2-CG 4.39Å; L192-F197 HydrophobicContact CG-CB 4.11Å; L192-F197 HydrophobicContact CG-CD2 4.07Å; L192-F197 HydrophobicContact CG-CG 4.14Å; D193-F197 WeakPolarHBondContact O-CB 3.17Å; D193-F197 PolarHBondContact O-N 3.01Å; V195-F197 VanDerWaalsContact C-N 3.3Å; V195-F197 PolarHBondContact O-N 2.95Å; F197-L201 HydrophobicContact CD1-CD1 3.81Å; F197-L201 HydrophobicContact CD1-CG 4.47Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.24Å; F197-L201 HydrophobicContact CZ-CD1 4.11Å; F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.44Å; F197-L266 HydrophobicContact CE1-CD2 4.36Å; F197-F269 HydrophobicContact CE1-CE1 4.14Å; F197-F269 HydrophobicContact CZ-CE1 4.24Å; F197-L270 HydrophobicContact CD1-CD1 4.49Å; F197-L270 HydrophobicContact CD1-CD2 4.08Å; F197-L270 HydrophobicContact CE1-CD2 4.49Å
198I98.6Very high97.3Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-67.2-42.2178.7-74.5168.1000111.6Y194 V195 L201 L202 L230 V233 K234 L237 L270Y194-I198 WeakPolarHBondContact O-CB 3.49Å; Y194-I198 VanDerWaalsContact O-CG1 3.32Å; Y194-I198 WeakPolarHBondContact O-CG1 3.35Å; Y194-I198 PolarHBondContact O-N 3.08Å; V195-I198 PolarHBondContact O-N 3.28Å; I198-L201 WeakPolarHBondContact O-CB 3.25Å; I198-L201 PolarHBondContact O-N 3.42Å; I198-L202 HydrophobicContact CG2-CD1 4.31Å; I198-L202 PolarHBondContact O-N 2.67Å; I198-L230 HydrophobicContact CG2-CB 3.81Å; I198-L230 HydrophobicContact CG2-CD1 4.25Å; I198-V233 HydrophobicContact CD1-CB 4.18Å; I198-V233 HydrophobicContact CD1-CG1 3.63Å; I198-K234 HydrophobicContact CB-CD 4.19Å; I198-K234 HydrophobicContact CB-CG 4.12Å; I198-K234 HydrophobicContact CD1-CD 4.47Å; I198-K234 HydrophobicContact CD1-CG 3.51Å; I198-K234 HydrophobicContact CG1-CG 4.41Å; I198-K234 HydrophobicContact CG2-CD 3.93Å; I198-K234 HydrophobicContact CG2-CG 3.92Å; I198-L237 HydrophobicContact CD1-CD1 4.29Å; I198-L270 HydrophobicContact CD1-CD1 3.71Å; I198-L270 HydrophobicContact CG1-CD1 3.96Å
199D98.6Very high97.2Very high66 Ų6662.2 Ų62.235%0.35330%0.304SS..Hα-helixtrans-65-41.9180-69.5-18.6000111.1V195 T196 L201 L202 E203 K234V195-D199 PolarHBondContact O-N 2.8Å; T196-D199 PolarHBondContact O-N 3.46Å; D199-L201 PolarHBondContact O-N 2.98Å; D199-L202 PolarHBondContact O-N 3.31Å; D199-E203 PolarHBondContact O-N 3.18Å; D199-K234 IonicContact OD1-NZ 3.06Å; D199-K234 PolarHBondContact OD1-NZ 3.3Å; D199-K234 IonicContact OD2-NZ 3.41Å
200N98.3Very high97.2Very high68 Ų6856.6 Ų56.636%0.36428%0.277SS..Hα-helixtrans-65.9-35.3174.8-73.4-15.4000112.6M181 T196 E203 K204M181-N200 HydrophobicContact CE-CB 3.39Å; M181-N200 HydrophobicContact SD-CB 4.25Å; T196-N200 VanDerWaalsContact O-CB 3.26Å; T196-N200 WeakPolarHBondContact O-CB 3.42Å; T196-N200 PolarHBondContact O-N 3.22Å; T196-N200 PolarHBondContact O-ND2 3.15Å; N200-E203 PolarHBondContact O-N 3.32Å; N200-K204 VanDerWaalsContact O-CG 3.32Å; N200-K204 WeakPolarHBondContact O-CG 3.29Å; N200-K204 PolarHBondContact O-N 3.22Å
201L98.4Very high97Very high0 Ų056.7 Ų56.70%027%0.274CS..Hα-helixtrans-62.5-45.9173.6-83.3174.4000111.8M174 A178 M181 F197 I198 D199 K204 L205 L266M174-L201 HydrophobicContact SD-CB 4.11Å; A178-L201 HydrophobicContact CB-CD1 4.3Å; A178-L201 HydrophobicContact CB-CD2 4.06Å; M181-L201 HydrophobicContact CE-CG 4.13Å; M181-L201 HydrophobicContact SD-CB 4.44Å; M181-L201 HydrophobicContact SD-CD2 3.52Å; M181-L201 VanDerWaalsContact SD-CD2 3.52Å; M181-L201 HydrophobicContact SD-CG 3.71Å; F197-L201 HydrophobicContact CD1-CD1 3.81Å; F197-L201 HydrophobicContact CD1-CG 4.47Å; F197-L201 HydrophobicContact CE1-CD1 3.45Å; F197-L201 VanDerWaalsContact CE1-CD1 3.45Å; F197-L201 HydrophobicContact CE1-CG 4.24Å; F197-L201 HydrophobicContact CZ-CD1 4.11Å; F197-L201 WeakPolarHBondContact O-CG 3.24Å; F197-L201 PolarHBondContact O-N 3.44Å; I198-L201 WeakPolarHBondContact O-CB 3.25Å; I198-L201 PolarHBondContact O-N 3.42Å; D199-L201 PolarHBondContact O-N 2.98Å; L201-K204 PolarHBondContact O-N 3.49Å; L201-L205 PolarHBondContact O-N 2.76Å; L201-L266 HydrophobicContact CD1-CD1 4.31Å; L201-L266 HydrophobicContact CD1-CD2 4Å
202L98.3Very high96.7Very high12 Ų1249.6 Ų49.66%0.06324%0.242CC..Hα-helixtrans-62-45.3176.3-74.6170.4000111.1M174 I198 D199 K204 L205 E206 K227 L230M174-L202 HydrophobicContact CE-CD2 3.66Å; M174-L202 HydrophobicContact CE-CG 4.31Å; I198-L202 HydrophobicContact CG2-CD1 4.31Å; I198-L202 PolarHBondContact O-N 2.67Å; D199-L202 PolarHBondContact O-N 3.31Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.72Å; L202-L205 PolarHBondContact O-N 2.92Å; L202-L205 VanDerWaalsContact O-N 3.16Å; L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.04Å; L202-K227 HydrophobicContact CD2-CB 4.41Å; L202-K227 HydrophobicContact CD2-CG 3.81Å; L202-L230 HydrophobicContact CD1-CB 4.19Å; L202-L230 HydrophobicContact CD1-CD1 4.44Å; L202-L230 HydrophobicContact CD2-CB 4.42Å; L202-L230 HydrophobicContact CD2-CD1 3.78Å; L202-L230 HydrophobicContact CD2-CG 4.48Å; L202-L230 HydrophobicContact CG-CB 4.45Å; L202-L230 HydrophobicContact CG-CD1 3.83Å
203E98.1Very high96.5Very high82 Ų8251.9 Ų51.938%0.38325%0.254SS..Hα-helixtrans-59.7-41.9176.9-173-175170.400111.8D199 N200 E206 K207D199-E203 PolarHBondContact O-N 3.18Å; N200-E203 PolarHBondContact O-N 3.32Å; E203-E206 PolarHBondContact O-N 2.97Å; E203-K207 HydrophobicContact CG-CD 4.07Å; E203-K207 WeakPolarHBondContact O-CB 3.42Å; E203-K207 WeakPolarHBondContact O-CG 3.4Å; E203-K207 PolarHBondContact O-N 2.81Å; E203-K207 WeakPolarHBondContact OE1-CE 3.39Å; E203-K207 IonicContact OE1-NZ 3.17Å; E203-K207 PolarHBondContact OE1-NZ 2.98Å
204K97.5Very high96.2Very high69 Ų6950 Ų5030%0.324%0.243SC..Hα-helixtrans-63.9-43.1174.9-73.2-177102.670.70111.9Y177 M181 N200 L201 L202 K207 T208Y177-K204 HydrophobicContact CD1-CD 4.45Å; Y177-K204 HydrophobicContact CD2-CB 3.89Å; Y177-K204 HydrophobicContact CE2-CB 4.05Å; Y177-K204 HydrophobicContact CG-CB 4.14Å; Y177-K204 HydrophobicContact CG-CD 4.39Å; M181-K204 HydrophobicContact CG-CD 3.93Å; M181-K204 HydrophobicContact SD-CD 3.66Å; N200-K204 VanDerWaalsContact O-CG 3.32Å; N200-K204 WeakPolarHBondContact O-CG 3.29Å; N200-K204 PolarHBondContact O-N 3.22Å; L201-K204 PolarHBondContact O-N 3.49Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.72Å; K204-K207 CarbonylContact O-C 3.54Å; K204-K207 PolarHBondContact O-N 2.95Å; K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 3.19Å
205L97.8Very high95.9Very high0 Ų056.8 Ų56.80%027%0.273CS..Hα-helixtrans-60.5-49.2176.5-175.365000111C170 L173 M174 L201 L202 K207 T208 F214 L223 Y226C170-L205 HydrophobicContact CB-CD1 4.11Å; C170-L205 HydrophobicContact CB-CD2 4.09Å; L173-L205 HydrophobicContact CB-CD1 3.99Å; L173-L205 HydrophobicContact CD1-CD1 3.95Å; M174-L205 HydrophobicContact CE-CB 4.06Å; M174-L205 HydrophobicContact CE-CD2 3.62Å; M174-L205 HydrophobicContact CE-CG 4.43Å; M174-L205 HydrophobicContact CG-CD2 4.24Å; M174-L205 HydrophobicContact SD-CB 4.31Å; M174-L205 HydrophobicContact SD-CD2 4.35Å; L201-L205 PolarHBondContact O-N 2.76Å; L202-L205 PolarHBondContact O-N 2.92Å; L202-L205 VanDerWaalsContact O-N 3.16Å; L205-K207 PolarHBondContact O-N 2.98Å; L205-T208 WeakPolarHBondContact O-CB 3.4Å; L205-T208 PolarHBondContact O-N 3.44Å; L205-T208 VanDerWaalsContact O-N 3.1Å; L205-T208 PolarHBondContact O-OG1 3.02Å; L205-F214 HydrophobicContact CG-CZ 4.4Å; L205-F214 WeakPolarHBondContact O-CE2 3.4Å; L205-F214 WeakPolarHBondContact O-CZ 3.49Å; L205-L223 HydrophobicContact CD2-CD1 3.81Å; L205-L223 HydrophobicContact CG-CD1 4.05Å; L205-Y226 HydrophobicContact CD2-CG 4.41Å
206E97Very high95.7Very high83 Ų8358.7 Ų58.739%0.38828%0.279SS..Hα-helixtrans-57.3-34177.7-72.6-178.3169.400113.4L202 E203 F214 L223 K227L202-E206 WeakPolarHBondContact O-CG 3.42Å; L202-E206 PolarHBondContact O-N 3.04Å; E203-E206 PolarHBondContact O-N 2.97Å; E206-F214 WeakPolarHBondContact O-CE2 3.34Å; E206-L223 HydrophobicContact CG-CD1 3.89Å; E206-L223 HydrophobicContact CG-CD2 4.04Å; E206-K227 WeakPolarHBondContact OE1-CE 3.45Å; E206-K227 IonicContact OE1-NZ 2.65Å; E206-K227 PolarHBondContact OE1-NZ 3.5Å
207K96.7Very high95.6Very high111 Ų11159.5 Ų59.548%0.48329%0.285SS..THydrogen-bonded Turntrans-91.411.4-179.3-68179.6179178.80113.7K148 E203 K204 L205 E209K148-K207 WeakPolarHBondContact CE-O 3.32Å; K148-K207 PolarHBondContact NZ-O 3.45Å; E203-K207 HydrophobicContact CG-CD 4.07Å; E203-K207 WeakPolarHBondContact O-CB 3.42Å; E203-K207 WeakPolarHBondContact O-CG 3.4Å; E203-K207 PolarHBondContact O-N 2.81Å; E203-K207 WeakPolarHBondContact OE1-CE 3.39Å; E203-K207 IonicContact OE1-NZ 3.17Å; E203-K207 PolarHBondContact OE1-NZ 2.98Å; K204-K207 CarbonylContact O-C 3.54Å; K204-K207 PolarHBondContact O-N 2.95Å; L205-K207 PolarHBondContact O-N 2.98Å; K207-E209 PolarHBondContact O-N 3.49Å
208T97.5Very high95.4Very high10 Ų1062.6 Ų62.66%0.06130%0.302CS..  trans-63.2129.4176.1-57.40000110.2E152 I156 L173 Y177 K204 L205 V212E152-T208 HydrophobicContact CG-CG2 4.14Å; I156-T208 HydrophobicContact CD1-CG2 4.08Å; L173-T208 HydrophobicContact CD1-CG2 3.85Å; L173-T208 HydrophobicContact CD2-CG2 4.45Å; Y177-T208 PolarHBondContact OH-OG1 3.35Å; K204-T208 PolarHBondContact O-N 3.41Å; K204-T208 PolarHBondContact O-OG1 3.19Å; L205-T208 WeakPolarHBondContact O-CB 3.4Å; L205-T208 PolarHBondContact O-N 3.44Å; L205-T208 VanDerWaalsContact O-N 3.1Å; L205-T208 PolarHBondContact O-OG1 3.02Å; T208-V212 HydrophobicContact CG2-CB 4.27Å; T208-V212 HydrophobicContact CG2-CG2 3.8Å
209E92.5Very high95.3Very high108 Ų10863.2 Ų63.251%0.50530%0.304SS..  trans-108.7-27.4-171.5-71.3168.3-149.900113.6K148 E152 K207K148-E209 IonicContact NZ-OE1 3.35Å; K148-E209 PolarHBondContact NZ-OE1 3.09Å; E152-E209 PolarHBondContact OE2-N 3.2Å; K207-E209 PolarHBondContact O-N 3.49Å
210Y94.5Very high95.2Very high46 Ų4663.6 Ų63.618%0.1831%0.306CS..SBendtrans-86.5130.7-179.3-178.3-99.7000111.8E152 K153 I156 D157 V212E152-Y210 PolarHBondContact OE2-N 3.31Å; E152-Y210 VanDerWaalsContact OE2-N 3.12Å; K153-Y210 HydrophobicContact CB-CD1 4.11Å; K153-Y210 HydrophobicContact CB-CD2 4.16Å; K153-Y210 HydrophobicContact CB-CE1 4.12Å; K153-Y210 HydrophobicContact CB-CE2 4.19Å; K153-Y210 HydrophobicContact CB-CG 4.12Å; K153-Y210 HydrophobicContact CD-CE2 4.22Å; K153-Y210 HydrophobicContact CG-CD1 4.44Å; K153-Y210 HydrophobicContact CG-CD2 4.36Å; K153-Y210 HydrophobicContact CG-CE1 3.94Å; K153-Y210 HydrophobicContact CG-CE2 3.88Å; I156-Y210 HydrophobicContact CB-CD1 3.95Å; I156-Y210 HydrophobicContact CB-CE1 4.12Å; I156-Y210 HydrophobicContact CD1-CD1 3.83Å; I156-Y210 WeakPolarHBondContact CD1-O 3.08Å; I156-Y210 HydrophobicContact CG1-CD1 4.47Å; I156-Y210 HydrophobicContact CG2-CD1 4.08Å; I156-Y210 HydrophobicContact CG2-CE1 4.01Å; D157-Y210 WeakPolarHBondContact OD1-CE1 3.4Å; D157-Y210 PolarHBondContact OD1-OH 3.44Å; D157-Y210 PolarHBondContact OD2-OH 3.14Å; D157-Y210 VanDerWaalsContact OD2-OH 3.08Å; Y210-V212 PolarHBondContact O-N 2.86Å
211F92.4Very high95.2Very high92 Ų9266.7 Ų66.740%0.40432%0.318SS..SBendtrans62-24.3172.3-169.2-97.8000117.4I156 R160 I169 W219I156-F211 HydrophobicContact CD1-CB 4.48Å; I156-F211 HydrophobicContact CG2-CB 3.86Å; I156-F211 HydrophobicContact CG2-CD1 3.84Å; I156-F211 HydrophobicContact CG2-CG 3.98Å; R160-F211 HydrophobicContact CG-CE1 4.31Å; R160-F211 VanDerWaalsContact NE-CE2 3.29Å; I169-F211 HydrophobicContact CD1-CD1 4.22Å; I169-F211 HydrophobicContact CD1-CE1 3.89Å; F211-W219 HydrophobicContact CD1-CH2 4.15Å; F211-W219 AromaticContact CD1-CZ2 3.97Å; F211-W219 HydrophobicContact CD1-CZ2 3.97Å; F211-W219 HydrophobicContact CE1-CH2 4.32Å; F211-W219 AromaticContact CE1-CZ2 3.92Å; F211-W219 HydrophobicContact CE1-CZ2 3.92Å
212V89.4Confident95.2Very high18 Ų1866.8 Ų66.811%0.10932%0.319CS..  trans-83.1142.1-178.6-179.80000110.9I156 L173 T208 Y210 F214 W219I156-V212 HydrophobicContact CD1-CG2 4.19Å; L173-V212 HydrophobicContact CD1-CG2 4.42Å; T208-V212 HydrophobicContact CG2-CB 4.27Å; T208-V212 HydrophobicContact CG2-CG2 3.8Å; Y210-V212 PolarHBondContact O-N 2.86Å; V212-F214 HydrophobicContact CG1-CD1 3.83Å; V212-F214 HydrophobicContact CG1-CD2 3.86Å; V212-F214 HydrophobicContact CG1-CE1 3.5Å; V212-F214 VanDerWaalsContact CG1-CE1 3.5Å; V212-F214 HydrophobicContact CG1-CE2 3.54Å; V212-F214 HydrophobicContact CG1-CG 4.01Å; V212-F214 HydrophobicContact CG1-CZ 3.36Å; V212-W219 HydrophobicContact CB-CE3 4.27Å; V212-W219 HydrophobicContact CB-CH2 4.45Å; V212-W219 HydrophobicContact CB-CZ3 4.22Å; V212-W219 HydrophobicContact CG1-CD2 3.9Å; V212-W219 HydrophobicContact CG1-CE3 3.55Å; V212-W219 HydrophobicContact CG1-CG 4.42Å; V212-W219 HydrophobicContact CG1-CZ3 3.93Å; V212-W219 HydrophobicContact CG2-CE3 4.13Å; V212-W219 HydrophobicContact CG2-CH2 3.79Å; V212-W219 HydrophobicContact CG2-CZ2 4.49Å; V212-W219 HydrophobicContact CG2-CZ3 3.6Å
213N92.3Very high95.1Very high65 Ų6566.6 Ų66.635%0.34832%0.318SS..  trans-136.188.8172.8-174.8-2.8000110.9K215 Q216 W219N213-K215 PolarHBondContact O-N 3.13Å; N213-K215 VanDerWaalsContact OD1-CB 3.3Å; N213-K215 WeakPolarHBondContact OD1-CB 3.39Å; N213-K215 PolarHBondContact OD1-N 3.42Å; N213-K215 VanDerWaalsContact OD1-N 3.13Å; N213-Q216 HydrophobicContact CB-CG 4.28Å; N213-Q216 WeakPolarHBondContact O-CB 3.49Å; N213-Q216 PolarHBondContact O-N 2.85Å; N213-W219 VanDerWaalsContact O-CB 3.3Å; N213-W219 WeakPolarHBondContact O-CB 3.26Å
214F91Very high95.1Very high37 Ų3766.4 Ų66.416%0.16232%0.32CS..THydrogen-bonded Turntrans-663.7178.7-61.7-59.6000115L205 E206 V212 W219 L223L205-F214 HydrophobicContact CG-CZ 4.4Å; L205-F214 WeakPolarHBondContact O-CE2 3.4Å; L205-F214 WeakPolarHBondContact O-CZ 3.49Å; E206-F214 WeakPolarHBondContact O-CE2 3.34Å; V212-F214 HydrophobicContact CG1-CD1 3.83Å; V212-F214 HydrophobicContact CG1-CD2 3.86Å; V212-F214 HydrophobicContact CG1-CE1 3.5Å; V212-F214 VanDerWaalsContact CG1-CE1 3.5Å; V212-F214 HydrophobicContact CG1-CE2 3.54Å; V212-F214 HydrophobicContact CG1-CG 4.01Å; V212-F214 HydrophobicContact CG1-CZ 3.36Å; F214-W219 HydrophobicContact CD1-CB 4.04Å; F214-L223 HydrophobicContact CD1-CB 3.89Å; F214-L223 HydrophobicContact CD1-CD2 3.79Å; F214-L223 HydrophobicContact CD1-CG 4.4Å; F214-L223 HydrophobicContact CD2-CD2 4.46Å; F214-L223 HydrophobicContact CE1-CB 3.76Å; F214-L223 HydrophobicContact CE1-CD1 4.38Å; F214-L223 HydrophobicContact CE1-CD2 4.02Å; F214-L223 HydrophobicContact CE1-CG 4.27Å; F214-L223 HydrophobicContact CG-CD2 4.03Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 HydrophobicContact CZ-CD2 4.42Å
215K90.8Very high95.2Very high196 Ų19664.4 Ų64.485%0.85232%0.316SS*.THydrogen-bonded Turntrans-85.7-15.2166.2-56-178.6-179.6178.50112.7N213N213-K215 PolarHBondContact O-N 3.13Å; N213-K215 VanDerWaalsContact OD1-CB 3.3Å; N213-K215 WeakPolarHBondContact OD1-CB 3.39Å; N213-K215 PolarHBondContact OD1-N 3.42Å; N213-K215 VanDerWaalsContact OD1-N 3.13Å
216Q93.8Very high95.2Very high90 Ų9064.5 Ų64.542%0.42132%0.316SS..SBendtrans-86.5139.2175.3-69-175.90.600110.3N213 N218 W219 L220N213-Q216 HydrophobicContact CB-CG 4.28Å; N213-Q216 WeakPolarHBondContact O-CB 3.49Å; N213-Q216 PolarHBondContact O-N 2.85Å; Q216-N218 WeakPolarHBondContact CB-OD1 3.45Å; Q216-N218 PolarHBondContact O-N 3.33Å; Q216-W219 PolarHBondContact O-N 3.31Å; Q216-L220 PolarHBondContact O-N 3.13Å; Q216-L220 VanDerWaalsContact O-N 3.08Å
217P95.4Very high95.3Very high92 Ų9263.4 Ų63.460%0.59731%0.311SS*.Hα-helixtrans-54.3-45.9-173-29.535.5000114.7W219 L220 E221P217-W219 VanDerWaalsContact C-N 3.34Å; P217-W219 PolarHBondContact O-N 2.96Å; P217-L220 PolarHBondContact O-N 2.82Å; P217-E221 WeakPolarHBondContact O-CB 3.44Å; P217-E221 VanDerWaalsContact O-CG 3.28Å; P217-E221 WeakPolarHBondContact O-CG 3.48Å; P217-E221 PolarHBondContact O-N 3.01Å
218N94.5Very high95.4Very high69 Ų6964.5 Ų64.537%0.36932%0.317SS..Hα-helixtrans-62.6-35.9-178.462.6-24000113.9P166 Q216 A222P166-N218 HydrophobicContact CG-CB 4.13Å; Q216-N218 WeakPolarHBondContact CB-OD1 3.45Å; Q216-N218 PolarHBondContact O-N 3.33Å; N218-A222 WeakPolarHBondContact O-CB 3.21Å; N218-A222 PolarHBondContact O-N 3.39Å
219W96.7Very high95.4Very high13 Ų1365.6 Ų65.65%0.04932%0.321CS..Hα-helixtrans-74.4-39.9175.6-74.5104.9000111.7P166 I169 F211 V212 N213 F214 Q216 P217 A222 L223P166-W219 HydrophobicContact CB-CD2 3.85Å; P166-W219 HydrophobicContact CB-CE3 3.57Å; P166-W219 HydrophobicContact CB-CG 4.4Å; P166-W219 HydrophobicContact CB-CH2 4.49Å; P166-W219 HydrophobicContact CB-CZ3 3.91Å; P166-W219 HydrophobicContact CG-CD2 3.82Å; P166-W219 HydrophobicContact CG-CE3 4.04Å; P166-W219 HydrophobicContact CG-CG 4.22Å; P166-W219 HydrophobicContact CG-CZ2 4.34Å; P166-W219 HydrophobicContact CG-CZ3 4.38Å; I169-W219 HydrophobicContact CB-CH2 3.97Å; I169-W219 HydrophobicContact CB-CZ3 4.06Å; I169-W219 HydrophobicContact CD1-CH2 3.58Å; I169-W219 HydrophobicContact CD1-CZ2 4.27Å; I169-W219 HydrophobicContact CD1-CZ3 4.48Å; I169-W219 HydrophobicContact CG1-CH2 4.35Å; I169-W219 HydrophobicContact CG2-CH2 3.87Å; I169-W219 HydrophobicContact CG2-CZ3 4Å; F211-W219 HydrophobicContact CD1-CH2 4.15Å; F211-W219 AromaticContact CD1-CZ2 3.97Å; F211-W219 HydrophobicContact CD1-CZ2 3.97Å; F211-W219 HydrophobicContact CE1-CH2 4.32Å; F211-W219 AromaticContact CE1-CZ2 3.92Å; F211-W219 HydrophobicContact CE1-CZ2 3.92Å; V212-W219 HydrophobicContact CB-CE3 4.27Å; V212-W219 HydrophobicContact CB-CH2 4.45Å; V212-W219 HydrophobicContact CB-CZ3 4.22Å; V212-W219 HydrophobicContact CG1-CD2 3.9Å; V212-W219 HydrophobicContact CG1-CE3 3.55Å; V212-W219 HydrophobicContact CG1-CG 4.42Å; V212-W219 HydrophobicContact CG1-CZ3 3.93Å; V212-W219 HydrophobicContact CG2-CE3 4.13Å; V212-W219 HydrophobicContact CG2-CH2 3.79Å; V212-W219 HydrophobicContact CG2-CZ2 4.49Å; V212-W219 HydrophobicContact CG2-CZ3 3.6Å; N213-W219 VanDerWaalsContact O-CB 3.3Å; N213-W219 WeakPolarHBondContact O-CB 3.26Å; F214-W219 HydrophobicContact CD1-CB 4.04Å; Q216-W219 PolarHBondContact O-N 3.31Å; P217-W219 VanDerWaalsContact C-N 3.34Å; P217-W219 PolarHBondContact O-N 2.96Å; W219-A222 PolarHBondContact O-N 3.13Å; W219-L223 WeakPolarHBondContact O-CB 3.33Å; W219-L223 PolarHBondContact O-N 3.25Å
220L96.6Very high95.7Very high75 Ų7560.5 Ų60.539%0.39330%0.297SS..Hα-helixtrans-63.7-46.7176-176.460.5000111Q216 P217 A222 L223 D224Q216-L220 PolarHBondContact O-N 3.13Å; Q216-L220 VanDerWaalsContact O-N 3.08Å; P217-L220 PolarHBondContact O-N 2.82Å; L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 2.76Å; L220-L223 WeakPolarHBondContact O-CB 3.46Å; L220-L223 PolarHBondContact O-N 2.94Å; L220-D224 WeakPolarHBondContact O-CB 3.37Å; L220-D224 PolarHBondContact O-N 2.69Å
221E97.6Very high95.9Very high133 Ų13362.5 Ų62.562%0.62131%0.308SS*.Hα-helixtrans-58.3-41.3175.2-74.6169.1-16700112P217 D224 A225P217-E221 WeakPolarHBondContact O-CB 3.44Å; P217-E221 VanDerWaalsContact O-CG 3.28Å; P217-E221 WeakPolarHBondContact O-CG 3.48Å; P217-E221 PolarHBondContact O-N 3.01Å; E221-D224 PolarHBondContact O-N 2.91Å; E221-A225 WeakPolarHBondContact O-CB 3.41Å; E221-A225 PolarHBondContact O-N 2.71Å
222A98Very high96.1Very high2 Ų259.6 Ų59.62%0.01730%0.297CS..Hα-helixtrans-65.4-43.8176.100000112.2P166 L167 N218 W219 L220 A225 Y226P166-A222 HydrophobicContact CB-CB 3.59Å; L167-A222 HydrophobicContact CD2-CB 3.79Å; L167-A222 HydrophobicContact CG-CB 4.14Å; N218-A222 WeakPolarHBondContact O-CB 3.21Å; N218-A222 PolarHBondContact O-N 3.39Å; W219-A222 PolarHBondContact O-N 3.13Å; L220-A222 VanDerWaalsContact C-N 3.3Å; L220-A222 PolarHBondContact O-N 2.76Å; A222-A225 PolarHBondContact O-N 3.21Å; A222-Y226 VanDerWaalsContact O-CD2 3.3Å; A222-Y226 WeakPolarHBondContact O-CD2 3.36Å; A222-Y226 PolarHBondContact O-N 3.34Å; A222-Y226 VanDerWaalsContact O-N 3.12Å
223L97.9Very high96.6Very high8 Ų858.8 Ų58.84%0.04229%0.292CS..Hα-helixtrans-60.5-46175.5176.261000111.5L205 E206 F214 W219 L220 A225 Y226 K227L205-L223 HydrophobicContact CD2-CD1 3.81Å; L205-L223 HydrophobicContact CG-CD1 4.05Å; E206-L223 HydrophobicContact CG-CD1 3.89Å; E206-L223 HydrophobicContact CG-CD2 4.04Å; F214-L223 HydrophobicContact CD1-CB 3.89Å; F214-L223 HydrophobicContact CD1-CD2 3.79Å; F214-L223 HydrophobicContact CD1-CG 4.4Å; F214-L223 HydrophobicContact CD2-CD2 4.46Å; F214-L223 HydrophobicContact CE1-CB 3.76Å; F214-L223 HydrophobicContact CE1-CD1 4.38Å; F214-L223 HydrophobicContact CE1-CD2 4.02Å; F214-L223 HydrophobicContact CE1-CG 4.27Å; F214-L223 HydrophobicContact CG-CD2 4.03Å; F214-L223 HydrophobicContact CZ-CD1 4.48Å; F214-L223 HydrophobicContact CZ-CD2 4.42Å; W219-L223 WeakPolarHBondContact O-CB 3.33Å; W219-L223 PolarHBondContact O-N 3.25Å; L220-L223 WeakPolarHBondContact O-CB 3.46Å; L220-L223 PolarHBondContact O-N 2.94Å; L223-A225 PolarHBondContact O-N 3.06Å; L223-Y226 PolarHBondContact O-N 3.06Å; L223-K227 HydrophobicContact CG-CD 4.38Å; L223-K227 WeakPolarHBondContact O-CG 2.75Å; L223-K227 PolarHBondContact O-N 2.8Å
224D98.2Very high96.8Very high78 Ų7857.2 Ų57.242%0.41728%0.282SS..Hα-helixtrans-64-39.8179.4-72.1-19.3000111.8L220 E221 Y226 K227 E228L220-D224 WeakPolarHBondContact O-CB 3.37Å; L220-D224 PolarHBondContact O-N 2.69Å; E221-D224 PolarHBondContact O-N 2.91Å; D224-Y226 VanDerWaalsContact C-N 3.35Å; D224-Y226 PolarHBondContact O-N 3.4Å; D224-K227 WeakPolarHBondContact O-CB 3.49Å; D224-K227 PolarHBondContact O-N 3.29Å; D224-E228 PolarHBondContact O-N 2.83Å
225A98.4Very high97.1Very high27 Ų2761.7 Ų61.722%0.22330%0.298CS..Hα-helixtrans-60.7-42.8173.900000112.1L167 E221 A222 L223 E228 K229 I259L167-A225 HydrophobicContact CD2-CB 4.07Å; E221-A225 WeakPolarHBondContact O-CB 3.41Å; E221-A225 PolarHBondContact O-N 2.71Å; A222-A225 PolarHBondContact O-N 3.21Å; L223-A225 PolarHBondContact O-N 3.06Å; A225-E228 PolarHBondContact O-N 2.94Å; A225-K229 WeakPolarHBondContact O-CB 3.32Å; A225-K229 WeakPolarHBondContact O-CG 3.32Å; A225-K229 PolarHBondContact O-N 2.82Å; A225-I259 HydrophobicContact CB-CD1 3.93Å; A225-I259 HydrophobicContact CB-CG1 4.1Å
226Y98.6Very high97.4Very high1 Ų152.4 Ų52.40%0.00426%0.258CS..Hα-helixtrans-66.9-39.5175.6-87.6-75.3000112.1L167 C170 G171 M174 L205 A222 L223 D224 K229 L230 A258 I259 V262 P263L167-Y226 HydrophobicContact CD2-CE2 4.33Å; L167-Y226 WeakPolarHBondContact O-CE2 3.34Å; L167-Y226 PolarHBondContact O-OH 3.45Å; L167-Y226 VanDerWaalsContact O-OH 3.08Å; C170-Y226 HydrophobicContact CB-CD2 3.54Å; C170-Y226 HydrophobicContact CB-CE2 3.39Å; G171-Y226 WeakPolarHBondContact CA-OH 3.33Å; G171-Y226 PolarHBondContact N-OH 2.7Å; M174-Y226 HydrophobicContact CE-CD1 4.41Å; M174-Y226 HydrophobicContact CG-CD1 4.09Å; M174-Y226 HydrophobicContact CG-CE1 4.28Å; L205-Y226 HydrophobicContact CD2-CG 4.41Å; A222-Y226 VanDerWaalsContact O-CD2 3.3Å; A222-Y226 WeakPolarHBondContact O-CD2 3.36Å; A222-Y226 PolarHBondContact O-N 3.34Å; A222-Y226 VanDerWaalsContact O-N 3.12Å; L223-Y226 PolarHBondContact O-N 3.06Å; D224-Y226 VanDerWaalsContact C-N 3.35Å; D224-Y226 PolarHBondContact O-N 3.4Å; Y226-K229 PolarHBondContact O-N 2.75Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 WeakPolarHBondContact O-CG 3.19Å; Y226-L230 PolarHBondContact O-N 2.71Å; Y226-A258 PolarHBondContact OH-O 3.24Å; Y226-I259 HydrophobicContact CD1-CD1 3.86Å; Y226-I259 HydrophobicContact CD2-CD1 3.84Å; Y226-I259 HydrophobicContact CE1-CD1 3.88Å; Y226-I259 HydrophobicContact CE2-CD1 3.84Å; Y226-I259 HydrophobicContact CG-CD1 3.82Å; Y226-V262 HydrophobicContact CE1-CB 4.32Å; Y226-V262 HydrophobicContact CE1-CG1 4.36Å; Y226-P263 HydrophobicContact CD1-CG 4.23Å; Y226-P263 HydrophobicContact CE1-CG 4.04Å
227K98.5Very high97.5Very high61 Ų6148.7 Ų48.727%0.26524%0.241SC..Hα-helixtrans-56.7-51.3172.9-75.1172.6176.3-173.60111.3L202 E206 L223 D224 L230 Q231L202-K227 HydrophobicContact CD2-CB 4.41Å; L202-K227 HydrophobicContact CD2-CG 3.81Å; E206-K227 WeakPolarHBondContact OE1-CE 3.45Å; E206-K227 IonicContact OE1-NZ 2.65Å; E206-K227 PolarHBondContact OE1-NZ 3.5Å; L223-K227 HydrophobicContact CG-CD 4.38Å; L223-K227 WeakPolarHBondContact O-CG 2.75Å; L223-K227 PolarHBondContact O-N 2.8Å; D224-K227 WeakPolarHBondContact O-CB 3.49Å; D224-K227 PolarHBondContact O-N 3.29Å; K227-L230 PolarHBondContact O-N 2.66Å; K227-Q231 WeakPolarHBondContact O-CG 3.11Å; K227-Q231 PolarHBondContact O-N 3.43Å
228E98.5Very high97.4Very high134 Ų13447.7 Ų47.763%0.62623%0.23SC*.Hα-helixtrans-59.1-52.2179.6-173.5-174.4164.100111.2D224 A225 L230 Q231 I232D224-E228 PolarHBondContact O-N 2.83Å; A225-E228 PolarHBondContact O-N 2.94Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 3.16Å; E228-Q231 PolarHBondContact O-N 3.35Å; E228-I232 WeakPolarHBondContact O-CG1 3.44Å; E228-I232 PolarHBondContact O-N 3.48Å; E228-I232 VanDerWaalsContact O-N 3.08Å
229K98.4Very high96.6Very high33 Ų3348.9 Ų48.914%0.14324%0.236CC..Hα-helixtrans-59-40.4178.9-75-75.9-176.7175.60112.3A225 Y226 I232 V233 R251 L252 I259 P263A225-K229 WeakPolarHBondContact O-CB 3.32Å; A225-K229 WeakPolarHBondContact O-CG 3.32Å; A225-K229 PolarHBondContact O-N 2.82Å; Y226-K229 PolarHBondContact O-N 2.75Å; K229-I232 WeakPolarHBondContact O-CB 3.42Å; K229-I232 PolarHBondContact O-N 2.92Å; K229-V233 WeakPolarHBondContact O-CG2 3.42Å; K229-V233 PolarHBondContact O-N 3.08Å; K229-R251 PolarHBondContact NZ-O 3.1Å; K229-L252 HydrophobicContact CD-CD2 4.31Å; K229-L252 PolarHBondContact NZ-O 2.9Å; K229-I259 HydrophobicContact CB-CD1 4.41Å; K229-I259 HydrophobicContact CG-CD1 3.86Å; K229-I259 HydrophobicContact CG-CG1 4.05Å; K229-P263 HydrophobicContact CB-CB 3.83Å; K229-P263 HydrophobicContact CB-CG 3.69Å; K229-P263 HydrophobicContact CG-CG 4.14Å
230L98.4Very high95.4Very high0 Ų055.7 Ų55.70%027%0.274CS..Hα-helixtrans-74.8-26179.2-69.1-167.9000113.7M174 I198 L202 Y226 K227 E228 I232 V233 K234 P263 L266M174-L230 HydrophobicContact CE-CD1 3.33Å; M174-L230 HydrophobicContact CE-CG 4.46Å; M174-L230 HydrophobicContact SD-CD1 4.24Å; I198-L230 HydrophobicContact CG2-CB 3.81Å; I198-L230 HydrophobicContact CG2-CD1 4.25Å; L202-L230 HydrophobicContact CD1-CB 4.19Å; L202-L230 HydrophobicContact CD1-CD1 4.44Å; L202-L230 HydrophobicContact CD2-CB 4.42Å; L202-L230 HydrophobicContact CD2-CD1 3.78Å; L202-L230 HydrophobicContact CD2-CG 4.48Å; L202-L230 HydrophobicContact CG-CB 4.45Å; L202-L230 HydrophobicContact CG-CD1 3.83Å; Y226-L230 WeakPolarHBondContact O-CB 3.35Å; Y226-L230 WeakPolarHBondContact O-CG 3.19Å; Y226-L230 PolarHBondContact O-N 2.71Å; K227-L230 PolarHBondContact O-N 2.66Å; E228-L230 VanDerWaalsContact C-N 3.31Å; E228-L230 PolarHBondContact O-N 3.16Å; L230-I232 VanDerWaalsContact C-N 3.32Å; L230-V233 HydrophobicContact CD2-CB 4.4Å; L230-V233 HydrophobicContact CD2-CG2 3.95Å; L230-V233 PolarHBondContact O-N 2.98Å; L230-K234 PolarHBondContact O-N 3.17Å; L230-P263 HydrophobicContact CD2-CB 4.26Å; L230-L266 HydrophobicContact CD2-CD1 3.77Å
231Q98.2Very high94.4Very high89 Ų8955.3 Ų55.342%0.41627%0.269SS..Hα-helixtrans-64.7-38.8165.2-64.2-43.4-56.800111.4K227 E228 K234 Y235K227-Q231 WeakPolarHBondContact O-CG 3.11Å; K227-Q231 PolarHBondContact O-N 3.43Å; E228-Q231 PolarHBondContact O-N 3.35Å; Q231-K234 VanDerWaalsContact CD-CE 3.47Å; Q231-K234 PolarHBondContact O-N 3.17Å; Q231-Y235 WeakPolarHBondContact O-CB 3.32Å; Q231-Y235 PolarHBondContact O-N 3.33Å
232I98Very high93.8Very high31 Ų3153.5 Ų53.516%0.15926%0.261CS..Hα-helixtrans-63-42.5173.7-64.2170.4000110.7E228 K229 L230 K234 Y235 L236 R251 L252E228-I232 WeakPolarHBondContact O-CG1 3.44Å; E228-I232 PolarHBondContact O-N 3.48Å; E228-I232 VanDerWaalsContact O-N 3.08Å; K229-I232 WeakPolarHBondContact O-CB 3.42Å; K229-I232 PolarHBondContact O-N 2.92Å; L230-I232 VanDerWaalsContact C-N 3.32Å; I232-K234 PolarHBondContact O-N 3.36Å; I232-Y235 WeakPolarHBondContact O-CB 3.39Å; I232-Y235 PolarHBondContact O-N 3.12Å; I232-Y235 VanDerWaalsContact O-N 3.15Å; I232-L236 HydrophobicContact CG2-CD1 3.83Å; I232-L236 HydrophobicContact CG2-CG 4.22Å; I232-L236 WeakPolarHBondContact O-CG 3.28Å; I232-L236 PolarHBondContact O-N 3.3Å; I232-R251 HydrophobicContact CG2-CB 3.7Å; I232-L252 HydrophobicContact CB-CD2 3.91Å; I232-L252 HydrophobicContact CG2-CD2 3.48Å; I232-L252 VanDerWaalsContact CG2-CD2 3.48Å; I232-L252 HydrophobicContact CG2-CG 4.07Å
233V98.3Very high93.6Very high0 Ų054.4 Ų54.40%027%0.266CS..Hα-helixtrans-56.2-50.4174.5175.80000110.5I198 K229 L230 Y235 L236 L237 L252 P263 L270I198-V233 HydrophobicContact CD1-CB 4.18Å; I198-V233 HydrophobicContact CD1-CG1 3.63Å; K229-V233 WeakPolarHBondContact O-CG2 3.42Å; K229-V233 PolarHBondContact O-N 3.08Å; L230-V233 HydrophobicContact CD2-CB 4.4Å; L230-V233 HydrophobicContact CD2-CG2 3.95Å; L230-V233 PolarHBondContact O-N 2.98Å; V233-Y235 VanDerWaalsContact C-N 3.3Å; V233-Y235 PolarHBondContact O-N 2.76Å; V233-L236 PolarHBondContact O-N 3.44Å; V233-L237 HydrophobicContact CG1-CD1 3.73Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.39Å; V233-L237 PolarHBondContact O-N 2.65Å; V233-L237 VanDerWaalsContact O-N 3.1Å; V233-L252 HydrophobicContact CG2-CD1 4.09Å; V233-L252 HydrophobicContact CG2-CD2 3.79Å; V233-P263 HydrophobicContact CG2-CB 4.21Å; V233-P263 WeakPolarHBondContact CG2-O 3.44Å; V233-L270 HydrophobicContact CG1-CD1 4.31Å
234K97.4Very high93.4Very high33 Ų3357.5 Ų57.514%0.14329%0.288CS..Hα-helixtrans-56.7-44175.2-72.8-169.3-65.6-1790112.1V195 I198 D199 L230 Q231 I232 L236 L237V195-K234 HydrophobicContact CG1-CD 4.18Å; I198-K234 HydrophobicContact CB-CD 4.19Å; I198-K234 HydrophobicContact CB-CG 4.12Å; I198-K234 HydrophobicContact CD1-CD 4.47Å; I198-K234 HydrophobicContact CD1-CG 3.51Å; I198-K234 HydrophobicContact CG1-CG 4.41Å; I198-K234 HydrophobicContact CG2-CD 3.93Å; I198-K234 HydrophobicContact CG2-CG 3.92Å; D199-K234 IonicContact OD1-NZ 3.06Å; D199-K234 PolarHBondContact OD1-NZ 3.3Å; D199-K234 IonicContact OD2-NZ 3.41Å; L230-K234 PolarHBondContact O-N 3.17Å; Q231-K234 VanDerWaalsContact CD-CE 3.47Å; Q231-K234 PolarHBondContact O-N 3.17Å; I232-K234 PolarHBondContact O-N 3.36Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-L236 PolarHBondContact O-N 2.94Å; K234-L237 PolarHBondContact O-N 3.08Å
235Y96.5Very high93.3Very high130 Ų13055.5 Ų55.551%0.5128%0.279SS..Hα-helixtrans-60.5-41.8178.8174.6-84.6000112.3Q231 I232 V233 K241Q231-Y235 WeakPolarHBondContact O-CB 3.32Å; Q231-Y235 PolarHBondContact O-N 3.33Å; I232-Y235 WeakPolarHBondContact O-CB 3.39Å; I232-Y235 PolarHBondContact O-N 3.12Å; I232-Y235 VanDerWaalsContact O-N 3.15Å; V233-Y235 VanDerWaalsContact C-N 3.3Å; V233-Y235 PolarHBondContact O-N 2.76Å; Y235-K241 HydrophobicContact CD1-CD 4.22Å; Y235-K241 HydrophobicContact CE1-CD 3.73Å; Y235-K241 HydrophobicContact CE2-CD 4.48Å; Y235-K241 VanDerWaalsContact CZ-CE 3.41Å; Y235-K241 WeakPolarHBondContact O-CD 3.27Å; Y235-K241 PolarHBondContact O-NZ 2.86Å
236L96.9Very high93.2Very high2 Ų258.5 Ų58.51%0.0130%0.295CS..Hα-helixtrans-75.6-21.9-177.9-68.3172.9000113.3I232 V233 K234 I238 P243 N247 L252 Y267I232-L236 HydrophobicContact CG2-CD1 3.83Å; I232-L236 HydrophobicContact CG2-CG 4.22Å; I232-L236 WeakPolarHBondContact O-CG 3.28Å; I232-L236 PolarHBondContact O-N 3.3Å; V233-L236 PolarHBondContact O-N 3.44Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-L236 PolarHBondContact O-N 2.94Å; L236-I238 VanDerWaalsContact C-N 3.34Å; L236-P243 HydrophobicContact CB-CG 4.38Å; L236-P243 HydrophobicContact CD2-CB 3.81Å; L236-P243 HydrophobicContact CD2-CG 4.01Å; L236-N247 VanDerWaalsContact CD2-OD1 3.27Å; L236-N247 WeakPolarHBondContact CD2-OD1 3.24Å; L236-L252 HydrophobicContact CD1-CD1 3.72Å; L236-L252 HydrophobicContact CD1-CD2 4.45Å; L236-L252 HydrophobicContact CD1-CG 3.82Å; L236-Y267 HydrophobicContact CB-CD2 3.95Å; L236-Y267 HydrophobicContact CB-CE2 3.63Å
237L96.3Very high93Very high11 Ų1160.9 Ų60.96%0.05831%0.307CS..THydrogen-bonded Turntrans-83.6-3.3178.2-71.2170.2000114.4Y194 I198 V233 K234 D239 Y267 L270 R271Y194-L237 HydrophobicContact CD2-CB 3.96Å; Y194-L237 HydrophobicContact CD2-CD1 3.71Å; Y194-L237 HydrophobicContact CE2-CB 3.8Å; Y194-L237 HydrophobicContact CE2-CD1 4.37Å; Y194-L237 HydrophobicContact CG-CB 4.42Å; Y194-L237 HydrophobicContact CG-CD1 4.02Å; I198-L237 HydrophobicContact CD1-CD1 4.29Å; V233-L237 HydrophobicContact CG1-CD1 3.73Å; V233-L237 HydrophobicContact CG1-CG 4.38Å; V233-L237 WeakPolarHBondContact O-CG 3.39Å; V233-L237 PolarHBondContact O-N 2.65Å; V233-L237 VanDerWaalsContact O-N 3.1Å; K234-L237 PolarHBondContact O-N 3.08Å; L237-D239 PolarHBondContact O-N 2.82Å; L237-Y267 HydrophobicContact CD2-CD2 3.95Å; L237-Y267 HydrophobicContact CD2-CE2 3.99Å; L237-Y267 HydrophobicContact CG-CD2 4.07Å; L237-Y267 HydrophobicContact CG-CE2 4.32Å; L237-L270 HydrophobicContact CD1-CB 3.62Å; L237-L270 HydrophobicContact CD1-CD1 3.73Å; L237-L270 HydrophobicContact CD1-CG 4.32Å; L237-L270 HydrophobicContact CD2-CB 3.98Å; L237-L270 HydrophobicContact CG-CB 4.48Å; L237-R271 HydrophobicContact CD2-CB 3.77Å
238I93.3Very high93Very high72 Ų7258.1 Ų58.137%0.36930%0.296SS..SBendtrans-64.9121.3174.8-68.4167.4000108.9L236 D240 K241L236-I238 VanDerWaalsContact C-N 3.34Å; I238-D240 PolarHBondContact O-N 3.5Å; I238-K241 HydrophobicContact CB-CD 4.46Å; I238-K241 HydrophobicContact CB-CG 4.5Å; I238-K241 PolarHBondContact O-N 2.98Å
239D77.3Confident93Very high93 Ų9353.1 Ų53.150%0.49727%0.274SS..G310 helixtrans-51.5-37.4-165.4-72.8-23.4000113.9L237 K241 K274L237-D239 PolarHBondContact O-N 2.82Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 PolarHBondContact O-N 2.95Å; D239-K274 IonicContact OD1-NZ 2.71Å; D239-K274 PolarHBondContact OD1-NZ 3.02Å; D239-K274 IonicContact OD2-NZ 2.82Å; D239-K274 PolarHBondContact OD2-NZ 3.42Å
240D73Confident92.9Very high156 Ų15657.3 Ų57.383%0.83430%0.298SS*.G310 helixtrans-78.3-5.9-175.2-62.6-32.9000115.1I238I238-D240 PolarHBondContact O-N 3.5Å
241K74.8Confident92.9Very high68 Ų6864 Ų6430%0.29632%0.324SS..G310 helixtrans-86.1-26-171.9-75.2-169.3-172.1144.60115.6Y235 I238 D239 P243Y235-K241 HydrophobicContact CD1-CD 4.22Å; Y235-K241 HydrophobicContact CE1-CD 3.73Å; Y235-K241 HydrophobicContact CE2-CD 4.48Å; Y235-K241 VanDerWaalsContact CZ-CE 3.41Å; Y235-K241 WeakPolarHBondContact O-CD 3.27Å; Y235-K241 PolarHBondContact O-NZ 2.86Å; I238-K241 HydrophobicContact CB-CD 4.46Å; I238-K241 HydrophobicContact CB-CG 4.5Å; I238-K241 PolarHBondContact O-N 2.98Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 PolarHBondContact O-N 2.95Å; K241-P243 VanDerWaalsContact C-N 3.27Å
242Q85.4Confident92.9Very high95 Ų9559.8 Ų59.844%0.44430%0.304SS..  trans26.662.6-173.2-64.5-71.2300112.4S244Q242-S244 PolarHBondContact O-N 2.9Å
243P92.4Very high92.9Very high21 Ų2158.8 Ų58.814%0.13630%0.301CS..  trans-64141-167.526.5-34.7000110.9L236 K241 N247 I248L236-P243 HydrophobicContact CB-CG 4.38Å; L236-P243 HydrophobicContact CD2-CB 3.81Å; L236-P243 HydrophobicContact CD2-CG 4.01Å; K241-P243 VanDerWaalsContact C-N 3.27Å; P243-N247 HydrophobicContact CB-CB 4.44Å; P243-I248 HydrophobicContact CB-CD1 4.46Å; P243-I248 HydrophobicContact CB-CG1 4.01Å; P243-I248 HydrophobicContact CG-CD1 4.12Å; P243-I248 HydrophobicContact CG-CG1 3.92Å
244S94.1Very high92.9Very high72 Ų7260.1 Ų60.150%0.50331%0.308SS..  trans-65155.2174.969.90000111.2Q242 T246 N247 I248Q242-S244 PolarHBondContact O-N 2.9Å; S244-T246 PolarHBondContact O-N 3.29Å; S244-N247 WeakPolarHBondContact O-CB 3.49Å; S244-N247 PolarHBondContact O-N 2.9Å; S244-N247 WeakPolarHBondContact OG-CB 3.35Å; S244-N247 PolarHBondContact OG-N 2.95Å; S244-I248 WeakPolarHBondContact O-CG1 3.28Å; S244-I248 PolarHBondContact O-N 2.99Å
245V95.7Very high92.9Very high36 Ų3661.4 Ų61.422%0.21832%0.316CS..Hα-helixtrans-51.8-45.4174.4169.80000111.3A29 F32 N247 I248 V249 L295A29-V245 HydrophobicContact CB-CG1 3.69Å; F32-V245 HydrophobicContact CE1-CG2 4.06Å; F32-V245 HydrophobicContact CZ-CG2 3.9Å; V245-N247 VanDerWaalsContact C-N 3.34Å; V245-N247 PolarHBondContact O-N 3.27Å; V245-I248 PolarHBondContact O-N 3.38Å; V245-V249 HydrophobicContact CG1-CG2 4.24Å; V245-V249 WeakPolarHBondContact O-CG2 3.43Å; V245-V249 PolarHBondContact O-N 3.36Å; V245-L295 HydrophobicContact CB-CD2 4.45Å; V245-L295 HydrophobicContact CG1-CD2 3.99Å; V245-L295 HydrophobicContact CG2-CD2 4.35Å
246T96.2Very high93Very high90 Ų9060 Ų6055%0.55232%0.317SS*.Hα-helixtrans-57.9-44.6176-52.70000111.9S244 I248 V249 D250S244-T246 PolarHBondContact O-N 3.29Å; T246-I248 VanDerWaalsContact C-N 3.34Å; T246-I248 PolarHBondContact O-N 3.25Å; T246-V249 PolarHBondContact O-N 2.96Å; T246-D250 WeakPolarHBondContact CG2-OD2 3.35Å; T246-D250 VanDerWaalsContact O-CB 3.31Å; T246-D250 WeakPolarHBondContact O-CB 3.17Å; T246-D250 PolarHBondContact O-N 3.31Å
247N96.2Very high93Very high51 Ų5164.1 Ų64.127%0.27334%0.335SS..Hα-helixtrans-63.4-40.3179.1-174.6-108.2000112.5L236 P243 S244 V245 R251L236-N247 VanDerWaalsContact CD2-OD1 3.27Å; L236-N247 WeakPolarHBondContact CD2-OD1 3.24Å; P243-N247 HydrophobicContact CB-CB 4.44Å; S244-N247 WeakPolarHBondContact O-CB 3.49Å; S244-N247 PolarHBondContact O-N 2.9Å; S244-N247 WeakPolarHBondContact OG-CB 3.35Å; S244-N247 PolarHBondContact OG-N 2.95Å; V245-N247 VanDerWaalsContact C-N 3.34Å; V245-N247 PolarHBondContact O-N 3.27Å; N247-R251 VanDerWaalsContact O-CB 3.3Å; N247-R251 WeakPolarHBondContact O-CB 3.44Å; N247-R251 WeakPolarHBondContact O-CG 3.32Å; N247-R251 PolarHBondContact O-N 3.02Å
248I97.5Very high93.1Very high4 Ų463.6 Ų63.62%0.02133%0.332CS..Hα-helixtrans-64-51177.1-61.8157.9000109.7P243 S244 V245 T246 R251 L252 Y267 L295P243-I248 HydrophobicContact CB-CD1 4.46Å; P243-I248 HydrophobicContact CB-CG1 4.01Å; P243-I248 HydrophobicContact CG-CD1 4.12Å; P243-I248 HydrophobicContact CG-CG1 3.92Å; S244-I248 WeakPolarHBondContact O-CG1 3.28Å; S244-I248 PolarHBondContact O-N 2.99Å; V245-I248 PolarHBondContact O-N 3.38Å; T246-I248 VanDerWaalsContact C-N 3.34Å; T246-I248 PolarHBondContact O-N 3.25Å; I248-R251 PolarHBondContact O-N 3.04Å; I248-L252 HydrophobicContact CG2-CD1 4.22Å; I248-L252 WeakPolarHBondContact O-CB 3.13Å; I248-L252 PolarHBondContact O-N 3.31Å; I248-Y267 HydrophobicContact CD1-CE1 3.73Å; I248-Y267 VanDerWaalsContact CD1-OH 3.29Å; I248-Y267 WeakPolarHBondContact CD1-OH 3.39Å; I248-Y267 HydrophobicContact CG1-CE1 4.01Å; I248-Y267 HydrophobicContact CG2-CD1 3.86Å; I248-Y267 HydrophobicContact CG2-CE1 3.69Å; I248-L295 HydrophobicContact CB-CD2 4.05Å; I248-L295 HydrophobicContact CD1-CD2 4.05Å; I248-L295 HydrophobicContact CG2-CD1 4.04Å; I248-L295 HydrophobicContact CG2-CD2 3.83Å
249V97.7Very high93.4Very high28 Ų2861.1 Ų61.117%0.1732%0.319CS..Hα-helixtrans-64.8-42.2-177.7172.80000111.8V245 T246 R251 G253 N254 L295V245-V249 HydrophobicContact CG1-CG2 4.24Å; V245-V249 WeakPolarHBondContact O-CG2 3.43Å; V245-V249 PolarHBondContact O-N 3.36Å; T246-V249 PolarHBondContact O-N 2.96Å; V249-R251 VanDerWaalsContact C-N 3.28Å; V249-R251 PolarHBondContact O-N 2.68Å; V249-G253 WeakPolarHBondContact O-CA 3.35Å; V249-G253 PolarHBondContact O-N 3.37Å; V249-N254 HydrophobicContact CG1-CB 4.36Å; V249-N254 HydrophobicContact CG2-CB 4.34Å; V249-L295 HydrophobicContact CG2-CB 4.23Å; V249-L295 HydrophobicContact CG2-CD2 4.27Å; V249-L295 WeakPolarHBondContact CG2-O 3.41Å
250D97.6Very high94.4Very high122 Ų12257.9 Ų57.965%0.65230%0.302SS*.Hα-helixtrans-64.3-34.3179.2-72.6-13.4000112.3T246T246-D250 WeakPolarHBondContact CG2-OD2 3.35Å; T246-D250 VanDerWaalsContact O-CB 3.31Å; T246-D250 WeakPolarHBondContact O-CB 3.17Å; T246-D250 PolarHBondContact O-N 3.31Å
251R97.8Very high95.6Very high141 Ų14150.5 Ų50.553%0.53226%0.262SS..Hα-helixtrans-87.5-45.4-175.5-69-79.1-173.8-118.4-0.2112.4K229 I232 N247 I248 V249K229-R251 PolarHBondContact NZ-O 3.1Å; I232-R251 HydrophobicContact CG2-CB 3.7Å; N247-R251 VanDerWaalsContact O-CB 3.3Å; N247-R251 WeakPolarHBondContact O-CB 3.44Å; N247-R251 WeakPolarHBondContact O-CG 3.32Å; N247-R251 PolarHBondContact O-N 3.02Å; I248-R251 PolarHBondContact O-N 3.04Å; V249-R251 VanDerWaalsContact C-N 3.28Å; V249-R251 PolarHBondContact O-N 2.68Å
252L98.4Very high96.8Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-96.8-30.9-175.8-63.3-179000113K229 I232 V233 L236 I248 N260 P263 T264 Y267K229-L252 HydrophobicContact CD-CD2 4.31Å; K229-L252 PolarHBondContact NZ-O 2.9Å; I232-L252 HydrophobicContact CB-CD2 3.91Å; I232-L252 HydrophobicContact CG2-CD2 3.48Å; I232-L252 VanDerWaalsContact CG2-CD2 3.48Å; I232-L252 HydrophobicContact CG2-CG 4.07Å; V233-L252 HydrophobicContact CG2-CD1 4.09Å; V233-L252 HydrophobicContact CG2-CD2 3.79Å; L236-L252 HydrophobicContact CD1-CD1 3.72Å; L236-L252 HydrophobicContact CD1-CD2 4.45Å; L236-L252 HydrophobicContact CD1-CG 3.82Å; I248-L252 HydrophobicContact CG2-CD1 4.22Å; I248-L252 WeakPolarHBondContact O-CB 3.13Å; I248-L252 PolarHBondContact O-N 3.31Å; L252-N260 WeakPolarHBondContact O-CA 3.29Å; L252-P263 HydrophobicContact CD2-CB 4.45Å; L252-T264 WeakPolarHBondContact CB-OG1 3.16Å; L252-Y267 HydrophobicContact CD1-CD1 4.28Å; L252-Y267 HydrophobicContact CD1-CD2 4.42Å; L252-Y267 HydrophobicContact CD1-CG 3.83Å
253G98.3Very high97.4Very high9 Ų942.7 Ų42.79%0.09323%0.227CC..  trans84.7170.4-170.100000112.1V249 N260 T264V249-G253 WeakPolarHBondContact O-CA 3.35Å; V249-G253 PolarHBondContact O-N 3.37Å; G253-N260 CarbonylContact C-O 3.58Å; G253-T264 WeakPolarHBondContact O-CG2 3.48Å; G253-T264 PolarHBondContact O-OG1 3Å
254N98.2Very high97.7Very high29 Ų2941.7 Ų41.716%0.15522%0.221CC..  trans-153.833.9179.365.7-14.1000112V249 N260 L295 G296 G297 D298 I302V249-N254 HydrophobicContact CG1-CB 4.36Å; V249-N254 HydrophobicContact CG2-CB 4.34Å; N254-N260 PolarHBondContact N-O 3.26Å; N254-L295 PolarHBondContact ND2-O 2.93Å; N254-G296 WeakPolarHBondContact CB-O 3.01Å; N254-G296 PolarHBondContact ND2-O 2.85Å; N254-G296 VanDerWaalsContact ND2-O 3.13Å; N254-G297 CarbonylContact O-C 3.53Å; N254-G297 WeakPolarHBondContact O-CA 3.43Å; N254-D298 PolarHBondContact O-N 2.93Å; N254-I302 HydrophobicContact CB-CD1 4.02Å
255N97.7Very high97.9Very high60 Ų6038.3 Ų38.332%0.32120%0.197SC..SBendtrans-123.3177.2-174.761.846.4000112.4K257 N260 S261N255-K257 PolarHBondContact O-N 3.24Å; N255-K257 WeakPolarHBondContact OD1-CG 3.48Å; N255-K257 PolarHBondContact OD1-N 3.03Å; N255-N260 PolarHBondContact ND2-ND2 3.49Å; N255-N260 VanDerWaalsContact OD1-CB 3.3Å; N255-N260 WeakPolarHBondContact OD1-CB 3.33Å; N255-N260 PolarHBondContact OD1-ND2 3.45Å; N255-S261 WeakPolarHBondContact O-CB 3.48Å
256L97.5Very high98.1Very high99 Ų9936.7 Ų36.752%0.51819%0.187SC..SBendtrans-58.2-6.6-173.5-51101.8000116.2G129 N130 D298G129-L256 CarbonylContact C-O 3.53Å; G129-L256 WeakPolarHBondContact CA-O 3.19Å; N130-L256 VanDerWaalsContact CG-O 3.31Å; N130-L256 PolarHBondContact N-O 2.83Å; N130-L256 PolarHBondContact OD1-O 3.33Å; L256-D298 VanDerWaalsContact CA-OD2 3.24Å; L256-D298 WeakPolarHBondContact CA-OD2 3.42Å; L256-D298 PolarHBondContact N-OD2 3Å
257K98.1Very high98.2Very high90 Ų9032.6 Ų32.639%0.39116%0.161SC..BIsolated β-bridgetrans-75.9131.4175.2-56.8-172.1-179.8176.30109.5Y128 N255 I259 N260 S261Y128-K257 HydrophobicContact CD2-CB 4.32Å; Y128-K257 HydrophobicContact CD2-CD 4.31Å; Y128-K257 HydrophobicContact CD2-CG 3.94Å; Y128-K257 HydrophobicContact CE2-CD 3.92Å; Y128-K257 HydrophobicContact CE2-CG 3.71Å; N255-K257 PolarHBondContact O-N 3.24Å; N255-K257 WeakPolarHBondContact OD1-CG 3.48Å; N255-K257 PolarHBondContact OD1-N 3.03Å; K257-I259 HydrophobicContact CB-CG2 4.26Å; K257-I259 PolarHBondContact O-N 3.4Å; K257-I259 VanDerWaalsContact O-N 3.08Å; K257-N260 HydrophobicContact CB-CB 4.13Å; K257-N260 CarbonylContact O-C 3.49Å; K257-N260 WeakPolarHBondContact O-CA 3.38Å; K257-N260 PolarHBondContact O-N 2.99Å; K257-S261 PolarHBondContact O-N 3.42Å; K257-S261 VanDerWaalsContact O-N 3.11Å; K257-S261 PolarHBondContact O-OG 2.98Å; K257-S261 VanDerWaalsContact O-OG 3.05Å
258A98.6Very high98.3Very high0 Ų030.1 Ų30.10%015%0.148CC..Hα-helixtrans-52.8-37.5178.200000113.4Y128 N130 Y226 N260 S261 V262 P263Y128-A258 PolarHBondContact O-N 3.42Å; N130-A258 HydrophobicContact CB-CB 4.44Å; Y226-A258 PolarHBondContact OH-O 3.24Å; A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.22Å; A258-S261 PolarHBondContact O-N 3.06Å; A258-V262 HydrophobicContact CB-CG2 4.49Å; A258-V262 VanDerWaalsContact O-CB 3.29Å; A258-V262 WeakPolarHBondContact O-CB 3.35Å; A258-V262 WeakPolarHBondContact O-CG2 3.42Å; A258-V262 PolarHBondContact O-N 3.45Å; A258-P263 WeakPolarHBondContact O-CD 3.1Å
259I98.6Very high98.4Very high19 Ų1930 Ų3010%0.09715%0.147CC..Hα-helixtrans-72.8-16178.8-163.556.9000114.1L167 A225 Y226 K229 K257 P263L167-I259 HydrophobicContact CD1-CG2 4.46Å; L167-I259 HydrophobicContact CD2-CB 4.2Å; L167-I259 HydrophobicContact CD2-CD1 4.38Å; L167-I259 HydrophobicContact CD2-CG1 4.28Å; A225-I259 HydrophobicContact CB-CD1 3.93Å; A225-I259 HydrophobicContact CB-CG1 4.1Å; Y226-I259 HydrophobicContact CD1-CD1 3.86Å; Y226-I259 HydrophobicContact CD2-CD1 3.84Å; Y226-I259 HydrophobicContact CE1-CD1 3.88Å; Y226-I259 HydrophobicContact CE2-CD1 3.84Å; Y226-I259 HydrophobicContact CG-CD1 3.82Å; K229-I259 HydrophobicContact CB-CD1 4.41Å; K229-I259 HydrophobicContact CG-CD1 3.86Å; K229-I259 HydrophobicContact CG-CG1 4.05Å; K257-I259 HydrophobicContact CB-CG2 4.26Å; K257-I259 PolarHBondContact O-N 3.4Å; K257-I259 VanDerWaalsContact O-N 3.08Å; I259-P263 HydrophobicContact CD1-CG 4.4Å; I259-P263 WeakPolarHBondContact O-CD 3.46Å; I259-P263 WeakPolarHBondContact O-CG 3.45Å
260N98.7Very high98.4Very high26 Ų2629 Ų2914%0.13914%0.142CC..Hα-helixtrans-105.8-6178.8-70.2-16.5000113.6L252 G253 N254 N255 K257 A258 T264L252-N260 WeakPolarHBondContact O-CA 3.29Å; G253-N260 CarbonylContact C-O 3.58Å; N254-N260 PolarHBondContact N-O 3.26Å; N255-N260 PolarHBondContact ND2-ND2 3.49Å; N255-N260 VanDerWaalsContact OD1-CB 3.3Å; N255-N260 WeakPolarHBondContact OD1-CB 3.33Å; N255-N260 PolarHBondContact OD1-ND2 3.45Å; K257-N260 HydrophobicContact CB-CB 4.13Å; K257-N260 CarbonylContact O-C 3.49Å; K257-N260 WeakPolarHBondContact O-CA 3.38Å; K257-N260 PolarHBondContact O-N 2.99Å; A258-N260 VanDerWaalsContact C-N 3.26Å; A258-N260 PolarHBondContact O-N 3.22Å; N260-T264 PolarHBondContact O-OG1 2.79Å
261S98.8Very high98.4Very high0 Ų024.5 Ų24.50%012%0.115CC..Hα-helixtrans-121.8-38.2179.5520000112.9N130 N255 K257 A258 T264 A265N130-S261 WeakPolarHBondContact CB-OG 3.43Å; N130-S261 PolarHBondContact ND2-OG 3.42Å; N255-S261 WeakPolarHBondContact O-CB 3.48Å; K257-S261 PolarHBondContact O-N 3.42Å; K257-S261 VanDerWaalsContact O-N 3.11Å; K257-S261 PolarHBondContact O-OG 2.98Å; K257-S261 VanDerWaalsContact O-OG 3.05Å; A258-S261 PolarHBondContact O-N 3.06Å; S261-T264 PolarHBondContact O-N 2.92Å; S261-A265 WeakPolarHBondContact O-CB 3.44Å; S261-A265 PolarHBondContact O-N 3.01Å
262V98.9Very high98.4Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-66.2-49178.8178.50000112A133 M174 Y226 A258 T264 A265 L266 M305A133-V262 HydrophobicContact CB-CG2 3.63Å; M174-V262 HydrophobicContact CB-CG1 3.92Å; Y226-V262 HydrophobicContact CE1-CB 4.32Å; Y226-V262 HydrophobicContact CE1-CG1 4.36Å; A258-V262 HydrophobicContact CB-CG2 4.49Å; A258-V262 VanDerWaalsContact O-CB 3.29Å; A258-V262 WeakPolarHBondContact O-CB 3.35Å; A258-V262 WeakPolarHBondContact O-CG2 3.42Å; A258-V262 PolarHBondContact O-N 3.45Å; V262-T264 VanDerWaalsContact C-N 3.26Å; V262-T264 PolarHBondContact O-N 2.99Å; V262-A265 PolarHBondContact O-N 3.05Å; V262-L266 PolarHBondContact O-N 2.65Å; V262-M305 HydrophobicContact CG2-CE 4.02Å; V262-M305 HydrophobicContact CG2-SD 3.88Å
263P98.9Very high98.2Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-62-34.9173.6-24.237.1000112.9Y226 K229 L230 V233 L252 A258 I259 L266 Y267Y226-P263 HydrophobicContact CD1-CG 4.23Å; Y226-P263 HydrophobicContact CE1-CG 4.04Å; K229-P263 HydrophobicContact CB-CB 3.83Å; K229-P263 HydrophobicContact CB-CG 3.69Å; K229-P263 HydrophobicContact CG-CG 4.14Å; L230-P263 HydrophobicContact CD2-CB 4.26Å; V233-P263 HydrophobicContact CG2-CB 4.21Å; V233-P263 WeakPolarHBondContact CG2-O 3.44Å; L252-P263 HydrophobicContact CD2-CB 4.45Å; A258-P263 WeakPolarHBondContact O-CD 3.1Å; I259-P263 HydrophobicContact CD1-CG 4.4Å; I259-P263 WeakPolarHBondContact O-CD 3.46Å; I259-P263 WeakPolarHBondContact O-CG 3.45Å; P263-L266 PolarHBondContact O-N 2.84Å; P263-Y267 PolarHBondContact O-N 2.97Å
264T98.9Very high98Very high0 Ų023.5 Ų23.50%011%0.114CC..Hα-helixtrans-65.9-43176.3-52.80000111.3L252 G253 N260 S261 V262 L266 Y267 V268 L295 I302L252-T264 WeakPolarHBondContact CB-OG1 3.16Å; G253-T264 WeakPolarHBondContact O-CG2 3.48Å; G253-T264 PolarHBondContact O-OG1 3Å; N260-T264 PolarHBondContact O-OG1 2.79Å; S261-T264 PolarHBondContact O-N 2.92Å; V262-T264 VanDerWaalsContact C-N 3.26Å; V262-T264 PolarHBondContact O-N 2.99Å; T264-L266 PolarHBondContact O-N 3.07Å; T264-Y267 WeakPolarHBondContact O-CB 3.24Å; T264-Y267 PolarHBondContact O-N 3.47Å; T264-V268 VanDerWaalsContact O-CG2 3.28Å; T264-V268 WeakPolarHBondContact O-CG2 3.16Å; T264-V268 PolarHBondContact O-N 2.89Å; T264-L295 HydrophobicContact CG2-CD1 3.65Å; T264-I302 HydrophobicContact CG2-CD1 4.05Å; T264-I302 HydrophobicContact CG2-CG2 4.16Å
265A98.9Very high97.8Very high0 Ų027.2 Ų27.20%014%0.14CC..Hα-helixtrans-63.6-39.5175.200000112.3S261 V262 V268 F269 I302 M305 A306S261-A265 WeakPolarHBondContact O-CB 3.44Å; S261-A265 PolarHBondContact O-N 3.01Å; V262-A265 PolarHBondContact O-N 3.05Å; A265-V268 PolarHBondContact O-N 2.91Å; A265-F269 WeakPolarHBondContact O-CB 3.35Å; A265-F269 PolarHBondContact O-N 2.89Å; A265-I302 HydrophobicContact CB-CG2 4.3Å; A265-M305 HydrophobicContact CB-CB 3.66Å; A265-M305 HydrophobicContact CB-CE 3.85Å; A265-A306 HydrophobicContact CB-CB 4.16Å; A265-A306 WeakPolarHBondContact O-CB 3.43Å
266L98.8Very high97.6Very high2 Ų225 Ų251%0.0113%0.128CC..Hα-helixtrans-62.2-43.3172.4-74.5167.7000111.8A178 F197 L201 L230 V262 P263 T264 L270 L309A178-L266 HydrophobicContact CB-CD2 4.02Å; F197-L266 HydrophobicContact CE1-CD2 4.36Å; L201-L266 HydrophobicContact CD1-CD1 4.31Å; L201-L266 HydrophobicContact CD1-CD2 4Å; L230-L266 HydrophobicContact CD2-CD1 3.77Å; V262-L266 PolarHBondContact O-N 2.65Å; P263-L266 PolarHBondContact O-N 2.84Å; T264-L266 PolarHBondContact O-N 3.07Å; L266-L270 WeakPolarHBondContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CD1 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.22Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.4Å; L266-L309 HydrophobicContact CD2-CD1 3.73Å
267Y98.7Very high97.3Very high4 Ų425.9 Ų25.92%0.01613%0.133CC..Hα-helixtrans-59.6-48172.7168.3-97.3000111.7L236 L237 I248 L252 P263 T264 F269 L270 R271 L291L236-Y267 HydrophobicContact CB-CD2 3.95Å; L236-Y267 HydrophobicContact CB-CE2 3.63Å; L237-Y267 HydrophobicContact CD2-CD2 3.95Å; L237-Y267 HydrophobicContact CD2-CE2 3.99Å; L237-Y267 HydrophobicContact CG-CD2 4.07Å; L237-Y267 HydrophobicContact CG-CE2 4.32Å; I248-Y267 HydrophobicContact CD1-CE1 3.73Å; I248-Y267 VanDerWaalsContact CD1-OH 3.29Å; I248-Y267 WeakPolarHBondContact CD1-OH 3.39Å; I248-Y267 HydrophobicContact CG1-CE1 4.01Å; I248-Y267 HydrophobicContact CG2-CD1 3.86Å; I248-Y267 HydrophobicContact CG2-CE1 3.69Å; L252-Y267 HydrophobicContact CD1-CD1 4.28Å; L252-Y267 HydrophobicContact CD1-CD2 4.42Å; L252-Y267 HydrophobicContact CD1-CG 3.83Å; P263-Y267 PolarHBondContact O-N 2.97Å; T264-Y267 WeakPolarHBondContact O-CB 3.24Å; T264-Y267 PolarHBondContact O-N 3.47Å; Y267-F269 PolarHBondContact O-N 3.36Å; Y267-L270 PolarHBondContact O-N 3.12Å; Y267-R271 HydrophobicContact CE1-CB 4.43Å; Y267-R271 HydrophobicContact CE2-CB 4.22Å; Y267-R271 VanDerWaalsContact O-CB 3.23Å; Y267-R271 WeakPolarHBondContact O-CB 3.44Å; Y267-R271 PolarHBondContact O-N 3.06Å; Y267-L291 HydrophobicContact CE1-CD2 4.24Å
268V98.7Very high96.9Very high0 Ų024.1 Ų24.10%014%0.14CC..Hα-helixtrans-57.3-52.3179.2170.60000110.1T264 A265 L270 R271 S272 S288 L291 L295 I302 A306T264-V268 VanDerWaalsContact O-CG2 3.28Å; T264-V268 WeakPolarHBondContact O-CG2 3.16Å; T264-V268 PolarHBondContact O-N 2.89Å; A265-V268 PolarHBondContact O-N 2.91Å; V268-L270 PolarHBondContact O-N 2.78Å; V268-R271 PolarHBondContact O-N 2.8Å; V268-S272 VanDerWaalsContact O-CB 3.23Å; V268-S272 WeakPolarHBondContact O-CB 3.44Å; V268-S272 PolarHBondContact O-N 2.91Å; V268-S272 PolarHBondContact O-OG 3.06Å; V268-S288 WeakPolarHBondContact CG1-O 3.4Å; V268-L291 HydrophobicContact CB-CD2 4.3Å; V268-L291 HydrophobicContact CG1-CB 4.23Å; V268-L291 HydrophobicContact CG1-CD2 4.17Å; V268-L291 HydrophobicContact CG1-CG 4.31Å; V268-L291 HydrophobicContact CG2-CD2 4.14Å; V268-L291 HydrophobicContact CG2-CG 4.12Å; V268-L295 HydrophobicContact CG2-CD1 3.72Å; V268-I302 HydrophobicContact CG2-CG2 4.1Å; V268-A306 HydrophobicContact CB-CB 3.78Å; V268-A306 HydrophobicContact CG1-CB 3.55Å
269F98.7Very high96.7Very high0 Ų024.5 Ų24.50%014%0.142CC..Hα-helixtrans-53.8-55.6176.7161.1-124.3000112I182 L192 F197 A265 Y267 R271 S272 L273 A306 L309 A310 Y313I182-F269 HydrophobicContact CD1-CE1 3.83Å; I182-F269 HydrophobicContact CD1-CE2 4.35Å; I182-F269 HydrophobicContact CD1-CZ 3.62Å; I182-F269 HydrophobicContact CG1-CE1 4.48Å; I182-F269 HydrophobicContact CG1-CZ 4.23Å; L192-F269 HydrophobicContact CD1-CE1 3.98Å; L192-F269 HydrophobicContact CD1-CZ 3.87Å; F197-F269 HydrophobicContact CE1-CE1 4.14Å; F197-F269 HydrophobicContact CZ-CE1 4.24Å; A265-F269 WeakPolarHBondContact O-CB 3.35Å; A265-F269 PolarHBondContact O-N 2.89Å; Y267-F269 PolarHBondContact O-N 3.36Å; F269-R271 PolarHBondContact O-N 2.83Å; F269-S272 PolarHBondContact O-N 3.31Å; F269-L273 HydrophobicContact CD2-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD1 4.36Å; F269-L273 HydrophobicContact CE2-CD2 3.79Å; F269-L273 HydrophobicContact CE2-CG 4.29Å; F269-L273 HydrophobicContact CZ-CD1 4.28Å; F269-L273 HydrophobicContact CZ-CD2 4.45Å; F269-L273 PolarHBondContact O-N 3.27Å; F269-A306 HydrophobicContact CB-CB 4.46Å; F269-L309 HydrophobicContact CB-CB 4.08Å; F269-L309 HydrophobicContact CB-CD1 4.24Å; F269-L309 HydrophobicContact CD1-CB 3.83Å; F269-L309 HydrophobicContact CD1-CD1 3.91Å; F269-L309 HydrophobicContact CD2-CB 3.79Å; F269-L309 HydrophobicContact CE1-CB 4.21Å; F269-L309 HydrophobicContact CE2-CB 4.16Å; F269-L309 HydrophobicContact CG-CB 3.61Å; F269-L309 HydrophobicContact CG-CD1 4.19Å; F269-L309 HydrophobicContact CZ-CB 4.36Å; F269-A310 VanDerWaalsContact CD2-CA 3.5Å; F269-A310 HydrophobicContact CD2-CB 3.88Å; F269-A310 HydrophobicContact CE2-CB 4.41Å; F269-Y313 HydrophobicContact CE2-CG 4.32Å; F269-Y313 HydrophobicContact CZ-CG 4.28Å
270L98.2Very high96.3Very high9 Ų931 Ų315%0.04717%0.172CC..Hα-helixtrans-66.4-39.6-174.3-67.7169.3000112L192 F197 I198 V233 L237 L266 Y267 V268 S272 L273L192-L270 HydrophobicContact CD1-CD2 4.22Å; L192-L270 HydrophobicContact CD2-CD2 3.53Å; F197-L270 HydrophobicContact CD1-CD1 4.49Å; F197-L270 HydrophobicContact CD1-CD2 4.08Å; F197-L270 HydrophobicContact CE1-CD2 4.49Å; I198-L270 HydrophobicContact CD1-CD1 3.71Å; I198-L270 HydrophobicContact CG1-CD1 3.96Å; V233-L270 HydrophobicContact CG1-CD1 4.31Å; L237-L270 HydrophobicContact CD1-CB 3.62Å; L237-L270 HydrophobicContact CD1-CD1 3.73Å; L237-L270 HydrophobicContact CD1-CG 4.32Å; L237-L270 HydrophobicContact CD2-CB 3.98Å; L237-L270 HydrophobicContact CG-CB 4.48Å; L266-L270 WeakPolarHBondContact O-CB 3.25Å; L266-L270 WeakPolarHBondContact O-CD1 3.39Å; L266-L270 VanDerWaalsContact O-CG 3.22Å; L266-L270 WeakPolarHBondContact O-CG 3.41Å; L266-L270 PolarHBondContact O-N 3.4Å; Y267-L270 PolarHBondContact O-N 3.12Å; V268-L270 PolarHBondContact O-N 2.78Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 3.5Å; L270-L273 HydrophobicContact CD2-CD1 4.39Å; L270-L273 WeakPolarHBondContact O-CB 3.5Å; L270-L273 PolarHBondContact O-N 3.4Å
271R97Very high96Very high26 Ų2631 Ų3110%0.09817%0.171CC..Hα-helixtrans-66.5-36.5176.6-178.962-170.597.4-8.2111.3L237 Y267 V268 F269 L273 K274 P275 I276 L291L237-R271 HydrophobicContact CD2-CB 3.77Å; Y267-R271 HydrophobicContact CE1-CB 4.43Å; Y267-R271 HydrophobicContact CE2-CB 4.22Å; Y267-R271 VanDerWaalsContact O-CB 3.23Å; Y267-R271 WeakPolarHBondContact O-CB 3.44Å; Y267-R271 PolarHBondContact O-N 3.06Å; V268-R271 PolarHBondContact O-N 2.8Å; F269-R271 PolarHBondContact O-N 2.83Å; R271-L273 PolarHBondContact O-N 2.94Å; R271-K274 PolarHBondContact NH1-O 3.49Å; R271-K274 PolarHBondContact O-N 3.4Å; R271-P275 PolarHBondContact NH1-O 3.49Å; R271-P275 PolarHBondContact NH2-O 3.39Å; R271-I276 HydrophobicContact CG-CD1 4Å; R271-I276 HydrophobicContact CG-CG1 4.1Å; R271-L291 HydrophobicContact CB-CD2 4.18Å; R271-L291 HydrophobicContact CG-CD2 4.13Å
272S97.1Very high95.6Very high0 Ų038.6 Ų38.60%021%0.212CC..Hα-helixtrans-69.3-10177.7-660000114V268 F269 L270 K274 P284 R287 S288V268-S272 VanDerWaalsContact O-CB 3.23Å; V268-S272 WeakPolarHBondContact O-CB 3.44Å; V268-S272 PolarHBondContact O-N 2.91Å; V268-S272 PolarHBondContact O-OG 3.06Å; F269-S272 PolarHBondContact O-N 3.31Å; L270-S272 VanDerWaalsContact C-N 3.31Å; L270-S272 PolarHBondContact O-N 3.5Å; S272-K274 VanDerWaalsContact C-N 3.26Å; S272-K274 PolarHBondContact O-N 3.22Å; S272-P284 WeakPolarHBondContact CB-O 3.09Å; S272-P284 WeakPolarHBondContact O-CB 3.25Å; S272-R287 PolarHBondContact O-NE 3.09Å; S272-R287 VanDerWaalsContact O-NE 3.12Å; S272-R287 PolarHBondContact O-NH1 3.36Å; S272-R287 VanDerWaalsContact O-NH1 3.09Å; S272-R287 PolarHBondContact O-NH2 3.32Å; S272-S288 WeakPolarHBondContact CB-OG 3.3Å; S272-S288 VanDerWaalsContact OG-CA 3.29Å; S272-S288 WeakPolarHBondContact OG-CA 3.49Å; S272-S288 PolarHBondContact OG-N 2.97Å; S272-S288 VanDerWaalsContact OG-N 3.14Å; S272-S288 PolarHBondContact OG-OG 3.44Å; S272-S288 VanDerWaalsContact OG-OG 3.05Å
273L95.9Very high95.4Very high41 Ų4138.9 Ų38.922%0.21521%0.214CC..THydrogen-bonded Turntrans-71-21.7173-61.2-177000113.1L192 F269 L270 R271 P284 Y313L192-L273 HydrophobicContact CD1-CD1 4.34Å; L192-L273 HydrophobicContact CD2-CD1 3.94Å; F269-L273 HydrophobicContact CD2-CD2 4.35Å; F269-L273 HydrophobicContact CE2-CD1 4.36Å; F269-L273 HydrophobicContact CE2-CD2 3.79Å; F269-L273 HydrophobicContact CE2-CG 4.29Å; F269-L273 HydrophobicContact CZ-CD1 4.28Å; F269-L273 HydrophobicContact CZ-CD2 4.45Å; F269-L273 PolarHBondContact O-N 3.27Å; L270-L273 HydrophobicContact CD2-CD1 4.39Å; L270-L273 WeakPolarHBondContact O-CB 3.5Å; L270-L273 PolarHBondContact O-N 3.4Å; R271-L273 PolarHBondContact O-N 2.94Å; L273-P284 HydrophobicContact CD2-CB 4.14Å; L273-P284 HydrophobicContact CD2-CG 4.36Å; L273-Y313 HydrophobicContact CD1-CD1 4.44Å; L273-Y313 HydrophobicContact CD1-CE1 4.22Å; L273-Y313 HydrophobicContact CD2-CD1 3.52Å; L273-Y313 HydrophobicContact CD2-CE1 3.84Å; L273-Y313 HydrophobicContact CD2-CG 4.41Å
274K93.8Very high95.3Very high88 Ų8839.6 Ų39.638%0.38322%0.218SC..SBendtrans-118151177.7-65.1-177.6-176.71790111.2D239 R271 S272 I276 R287D239-K274 IonicContact OD1-NZ 2.71Å; D239-K274 PolarHBondContact OD1-NZ 3.02Å; D239-K274 IonicContact OD2-NZ 2.82Å; D239-K274 PolarHBondContact OD2-NZ 3.42Å; R271-K274 PolarHBondContact NH1-O 3.49Å; R271-K274 PolarHBondContact O-N 3.4Å; S272-K274 VanDerWaalsContact C-N 3.26Å; S272-K274 PolarHBondContact O-N 3.22Å; K274-I276 PolarHBondContact O-N 3.38Å; K274-R287 PolarHBondContact O-NH1 3.05Å
275P93.4Very high95.3Very high107 Ų10739.6 Ų39.670%0.69522%0.218SC*.  trans-49140.5179.6-29.936.3000112.5R271R271-P275 PolarHBondContact NH1-O 3.49Å; R271-P275 PolarHBondContact NH2-O 3.39Å
276I93.2Very high95.2Very high15 Ų1539.9 Ų39.98%0.07722%0.22CC..BIsolated β-bridgetrans-118.9126.4-179.9-56.6168.9000107.4R271 K274 G278 I279 R287 L291R271-I276 HydrophobicContact CG-CD1 4Å; R271-I276 HydrophobicContact CG-CG1 4.1Å; K274-I276 PolarHBondContact O-N 3.38Å; I276-G278 PolarHBondContact O-N 2.96Å; I276-I279 HydrophobicContact CB-CB 4.23Å; I276-I279 HydrophobicContact CB-CD1 4Å; I276-I279 HydrophobicContact CB-CG1 4.21Å; I276-I279 HydrophobicContact CD1-CD1 3.97Å; I276-I279 HydrophobicContact CG2-CD1 3.76Å; I276-I279 HydrophobicContact CG2-CG1 4.06Å; I276-I279 PolarHBondContact O-N 3.4Å; I276-R287 HydrophobicContact CD1-CB 4.33Å; I276-L291 HydrophobicContact CD1-CD2 3.97Å
277D91.2Very high95.1Very high116 Ų11640.4 Ų40.462%0.6222%0.222SC*.THydrogen-bonded Turntrans-59127.4178.8-63.7-14.5000110.1
278G91.3Very high95.1Very high53 Ų5340.2 Ų40.255%0.54622%0.221SC..THydrogen-bonded Turntrans844.6-176.200000115.6I276I276-G278 PolarHBondContact O-N 2.96Å
279I93.5Very high95.1Very high9 Ų940.2 Ų40.25%0.04622%0.221CC..BIsolated β-bridgetrans-124.199.3173.4-48.7-179.2000110.1F32 L36 I276 F281 R287 V290 L291F32-I279 HydrophobicContact CB-CG1 4.18Å; F32-I279 HydrophobicContact CD2-CD1 4.01Å; F32-I279 HydrophobicContact CD2-CG1 3.73Å; F32-I279 HydrophobicContact CE2-CD1 4.18Å; F32-I279 HydrophobicContact CE2-CG1 4.31Å; F32-I279 HydrophobicContact CG-CD1 4.2Å; F32-I279 HydrophobicContact CG-CG1 4.02Å; L36-I279 HydrophobicContact CD1-CG2 4.49Å; I276-I279 HydrophobicContact CB-CB 4.23Å; I276-I279 HydrophobicContact CB-CD1 4Å; I276-I279 HydrophobicContact CB-CG1 4.21Å; I276-I279 HydrophobicContact CD1-CD1 3.97Å; I276-I279 HydrophobicContact CG2-CD1 3.76Å; I276-I279 HydrophobicContact CG2-CG1 4.06Å; I276-I279 PolarHBondContact O-N 3.4Å; I279-F281 VanDerWaalsContact C-N 3.32Å; I279-F281 HydrophobicContact CG2-CD2 4.25Å; I279-F281 PolarHBondContact O-N 3.32Å; I279-F281 VanDerWaalsContact O-N 3.08Å; I279-R287 HydrophobicContact CG2-CB 4.35Å; I279-R287 HydrophobicContact CG2-CG 3.8Å; I279-V290 HydrophobicContact CB-CG1 4.29Å; I279-V290 HydrophobicContact CD1-CB 4.09Å; I279-V290 HydrophobicContact CD1-CG1 3.6Å; I279-V290 HydrophobicContact CG1-CB 4.45Å; I279-V290 HydrophobicContact CG1-CG1 3.65Å; I279-V290 HydrophobicContact CG2-CB 3.83Å; I279-V290 HydrophobicContact CG2-CG1 3.76Å; I279-V290 HydrophobicContact CG2-CG2 4.1Å; I279-L291 HydrophobicContact CD1-CB 4.11Å
280E90Very high95.1Very high154 Ų15440.2 Ų40.272%0.7222%0.221SC*.  trans-87.959.4-173.4-61179.7171.500112.7
281F92.3Very high95Very high26 Ų2640 Ų4011%0.11422%0.22CC..  trans-133132.8172.6-70.3-54.8000111.7L36 L39 Q40 I43 I279 L286 R287 V290L36-F281 HydrophobicContact CD1-CD2 3.83Å; L36-F281 HydrophobicContact CD1-CE2 3.45Å; L36-F281 VanDerWaalsContact CD1-CE2 3.45Å; L36-F281 HydrophobicContact CD1-CZ 3.96Å; L36-F281 HydrophobicContact CG-CE2 4.45Å; L39-F281 HydrophobicContact CB-CE2 3.86Å; L39-F281 HydrophobicContact CB-CZ 3.68Å; L39-F281 HydrophobicContact CD1-CE2 3.74Å; L39-F281 HydrophobicContact CD1-CZ 4.38Å; L39-F281 HydrophobicContact CG-CE2 4.47Å; Q40-F281 HydrophobicContact CG-CE1 4.47Å; Q40-F281 HydrophobicContact CG-CZ 4.15Å; I43-F281 HydrophobicContact CD1-CD1 4.48Å; I43-F281 HydrophobicContact CD1-CE1 3.52Å; I43-F281 HydrophobicContact CD1-CZ 4Å; I279-F281 VanDerWaalsContact C-N 3.32Å; I279-F281 HydrophobicContact CG2-CD2 4.25Å; I279-F281 PolarHBondContact O-N 3.32Å; I279-F281 VanDerWaalsContact O-N 3.08Å; F281-L286 HydrophobicContact CB-CB 4.02Å; F281-L286 HydrophobicContact CD1-CB 4.47Å; F281-L286 HydrophobicContact CD1-CD1 3.95Å; F281-L286 HydrophobicContact CD2-CB 3.76Å; F281-L286 HydrophobicContact CE1-CD1 4.21Å; F281-L286 HydrophobicContact CE2-CB 4.31Å; F281-L286 HydrophobicContact CG-CB 3.85Å; F281-L286 HydrophobicContact CG-CD1 4.16Å; F281-R287 HydrophobicContact CB-CG 4.06Å; F281-R287 WeakPolarHBondContact O-CD 3.47Å; F281-R287 WeakPolarHBondContact O-CG 3.31Å; F281-R287 PolarHBondContact O-NE 3.45Å; F281-R287 VanDerWaalsContact O-NE 3.15Å; F281-V290 HydrophobicContact CD2-CG2 4.14Å; F281-V290 HydrophobicContact CE2-CG2 3.97Å
282D90.7Very high95.1Very high160 Ų16038.8 Ų38.886%0.85622%0.215SC*.SBendtrans-72.8-32.3172.7-66.4-32.1000111.7P284 R287D282-P284 VanDerWaalsContact O-CD 3.28Å; D282-P284 WeakPolarHBondContact O-CD 3.46Å; D282-R287 PolarHBondContact O-NH2 3.41Å
283S94.6Very high95.2Very high7 Ų738.8 Ų38.85%0.04922%0.215CC..  trans-68.9116.7-178.1-176.70000111.8P285 L286 R287S283-P285 WeakPolarHBondContact OG-CD 3.4Å; S283-L286 PolarHBondContact O-N 3.12Å; S283-R287 PolarHBondContact O-N 2.87Å; S283-R287 VanDerWaalsContact O-N 3.09Å
284P96.9Very high95.3Very high14 Ų1436.9 Ų36.99%0.09121%0.205CC..Hα-helixtrans-55.8-42.1175.5-22.431.8000113.8S272 L273 D282 L286 R287 S288 A310 I314S272-P284 WeakPolarHBondContact CB-O 3.09Å; S272-P284 WeakPolarHBondContact O-CB 3.25Å; L273-P284 HydrophobicContact CD2-CB 4.14Å; L273-P284 HydrophobicContact CD2-CG 4.36Å; D282-P284 VanDerWaalsContact O-CD 3.28Å; D282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-L286 PolarHBondContact O-N 3.43Å; P284-R287 WeakPolarHBondContact O-CB 3.34Å; P284-R287 PolarHBondContact O-N 2.81Å; P284-S288 PolarHBondContact O-N 2.87Å; P284-S288 PolarHBondContact O-OG 3.13Å; P284-S288 VanDerWaalsContact O-OG 3.12Å; P284-A310 HydrophobicContact CB-CB 4.32Å; P284-I314 HydrophobicContact CB-CG2 4.49Å; P284-I314 HydrophobicContact CG-CG2 3.74Å
285P97.8Very high95.5Very high0 Ų032.7 Ų32.70%019%0.187CC..Hα-helixtrans-56.5-44.3174.4-32.340.8000114.2S283 R287 S288 I289 T307 A310 I314 I324S283-P285 WeakPolarHBondContact OG-CD 3.4Å; P285-R287 VanDerWaalsContact C-N 3.33Å; P285-R287 PolarHBondContact O-N 3.31Å; P285-S288 WeakPolarHBondContact O-CB 3.33Å; P285-S288 PolarHBondContact O-N 3.12Å; P285-S288 VanDerWaalsContact O-N 3.14Å; P285-I289 WeakPolarHBondContact O-CG1 3.31Å; P285-I289 PolarHBondContact O-N 3.28Å; P285-T307 HydrophobicContact CB-CG2 3.81Å; P285-A310 HydrophobicContact CB-CB 4.34Å; P285-A310 HydrophobicContact CG-CB 3.85Å; P285-I314 HydrophobicContact CG-CD1 3.81Å; P285-I314 HydrophobicContact CG-CG1 3.96Å; P285-I324 HydrophobicContact CB-CD1 3.63Å; P285-I324 HydrophobicContact CG-CD1 3.85Å
286L97.3Very high95.7Very high6 Ų627.6 Ų27.63%0.03115%0.154CC..Hα-helixtrans-67.4-36.8178.5-58.4-174.7000111.6L39 I43 F281 S283 P284 S288 I289 V290 I328L39-L286 HydrophobicContact CD2-CD2 4.21Å; I43-L286 HydrophobicContact CD1-CD1 4.4Å; F281-L286 HydrophobicContact CB-CB 4.02Å; F281-L286 HydrophobicContact CD1-CB 4.47Å; F281-L286 HydrophobicContact CD1-CD1 3.95Å; F281-L286 HydrophobicContact CD2-CB 3.76Å; F281-L286 HydrophobicContact CE1-CD1 4.21Å; F281-L286 HydrophobicContact CE2-CB 4.31Å; F281-L286 HydrophobicContact CG-CB 3.85Å; F281-L286 HydrophobicContact CG-CD1 4.16Å; S283-L286 PolarHBondContact O-N 3.12Å; P284-L286 PolarHBondContact O-N 3.43Å; L286-S288 VanDerWaalsContact C-N 3.32Å; L286-I289 HydrophobicContact CD2-CD1 4.31Å; L286-I289 PolarHBondContact O-N 3.22Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 2.86Å; L286-V290 VanDerWaalsContact O-N 3.1Å; L286-I328 HydrophobicContact CD1-CD1 3.99Å; L286-I328 HydrophobicContact CD2-CD1 3.87Å; L286-I328 HydrophobicContact CD2-CG2 4.42Å
287R97.5Very high95.9Very high14 Ų1427.7 Ų27.75%0.05316%0.159CC..Hα-helixtrans-62.9-38.3171.2-73.7-177.5-79.3172.1-1.9112.3S272 K274 I276 I279 F281 D282 S283 P284 P285 V290 L291S272-R287 PolarHBondContact O-NE 3.09Å; S272-R287 VanDerWaalsContact O-NE 3.12Å; S272-R287 PolarHBondContact O-NH1 3.36Å; S272-R287 VanDerWaalsContact O-NH1 3.09Å; S272-R287 PolarHBondContact O-NH2 3.32Å; K274-R287 PolarHBondContact O-NH1 3.05Å; I276-R287 HydrophobicContact CD1-CB 4.33Å; I279-R287 HydrophobicContact CG2-CB 4.35Å; I279-R287 HydrophobicContact CG2-CG 3.8Å; F281-R287 HydrophobicContact CB-CG 4.06Å; F281-R287 WeakPolarHBondContact O-CD 3.47Å; F281-R287 WeakPolarHBondContact O-CG 3.31Å; F281-R287 PolarHBondContact O-NE 3.45Å; F281-R287 VanDerWaalsContact O-NE 3.15Å; D282-R287 PolarHBondContact O-NH2 3.41Å; S283-R287 PolarHBondContact O-N 2.87Å; S283-R287 VanDerWaalsContact O-N 3.09Å; P284-R287 WeakPolarHBondContact O-CB 3.34Å; P284-R287 PolarHBondContact O-N 2.81Å; P285-R287 VanDerWaalsContact C-N 3.33Å; P285-R287 PolarHBondContact O-N 3.31Å; R287-V290 PolarHBondContact O-N 3.16Å; R287-L291 VanDerWaalsContact O-CB 3.26Å; R287-L291 WeakPolarHBondContact O-CB 3.25Å; R287-L291 PolarHBondContact O-N 2.74Å
288S98.4Very high96.3Very high0 Ų022.5 Ų22.50%013%0.131CC..Hα-helixtrans-64.9-41.7177.7-65.20000111.8V268 S272 P284 P285 L286 L291 S292V268-S288 WeakPolarHBondContact CG1-O 3.4Å; S272-S288 WeakPolarHBondContact CB-OG 3.3Å; S272-S288 VanDerWaalsContact OG-CA 3.29Å; S272-S288 WeakPolarHBondContact OG-CA 3.49Å; S272-S288 PolarHBondContact OG-N 2.97Å; S272-S288 VanDerWaalsContact OG-N 3.14Å; S272-S288 PolarHBondContact OG-OG 3.44Å; S272-S288 VanDerWaalsContact OG-OG 3.05Å; P284-S288 PolarHBondContact O-N 2.87Å; P284-S288 PolarHBondContact O-OG 3.13Å; P284-S288 VanDerWaalsContact O-OG 3.12Å; P285-S288 WeakPolarHBondContact O-CB 3.33Å; P285-S288 PolarHBondContact O-N 3.12Å; P285-S288 VanDerWaalsContact O-N 3.14Å; L286-S288 VanDerWaalsContact C-N 3.32Å; S288-L291 PolarHBondContact O-N 2.6Å; S288-S292 WeakPolarHBondContact O-CB 3.17Å; S288-S292 PolarHBondContact O-N 3.09Å; S288-S292 PolarHBondContact O-OG 2.9Å; S288-S292 VanDerWaalsContact O-OG 3.13Å
289I98.3Very high96.6Very high0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-60.8-50.3174.1-64.4168.3000111.1M16 Y20 L39 P285 L286 L291 S292 I293 T307M16-I289 HydrophobicContact CB-CD1 3.91Å; Y20-I289 HydrophobicContact CD2-CD1 4.42Å; Y20-I289 HydrophobicContact CG-CG2 4.18Å; L39-I289 HydrophobicContact CD1-CB 4.29Å; L39-I289 HydrophobicContact CD1-CG2 3.99Å; P285-I289 WeakPolarHBondContact O-CG1 3.31Å; P285-I289 PolarHBondContact O-N 3.28Å; L286-I289 HydrophobicContact CD2-CD1 4.31Å; L286-I289 PolarHBondContact O-N 3.22Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 2.93Å; I289-S292 PolarHBondContact O-OG 3.01Å; I289-S292 VanDerWaalsContact O-OG 3.09Å; I289-I293 HydrophobicContact CG2-CD1 3.72Å; I289-I293 WeakPolarHBondContact O-CB 3.43Å; I289-I293 WeakPolarHBondContact O-CD1 3.42Å; I289-I293 VanDerWaalsContact O-CG1 3.32Å; I289-I293 WeakPolarHBondContact O-CG1 3.36Å; I289-I293 PolarHBondContact O-N 3.1Å; I289-I293 VanDerWaalsContact O-N 3.1Å; I289-T307 HydrophobicContact CD1-CG2 4.15Å; I289-T307 HydrophobicContact CG1-CG2 3.95Å
290V98.2Very high96.9Very high0 Ų019.6 Ų19.60%010%0.103CC..Hα-helixtrans-61.9-44.5-179.71730000111.1F32 P35 L36 L39 I279 F281 L286 R287 G294F32-V290 HydrophobicContact CB-CG1 3.84Å; F32-V290 HydrophobicContact CD1-CG1 4.34Å; F32-V290 HydrophobicContact CG-CG1 4.24Å; P35-V290 HydrophobicContact CB-CG2 4.49Å; P35-V290 HydrophobicContact CG-CB 4.45Å; P35-V290 HydrophobicContact CG-CG1 4.06Å; L36-V290 HydrophobicContact CD1-CG2 4.49Å; L39-V290 HydrophobicContact CD1-CG2 3.57Å; I279-V290 HydrophobicContact CB-CG1 4.29Å; I279-V290 HydrophobicContact CD1-CB 4.09Å; I279-V290 HydrophobicContact CD1-CG1 3.6Å; I279-V290 HydrophobicContact CG1-CB 4.45Å; I279-V290 HydrophobicContact CG1-CG1 3.65Å; I279-V290 HydrophobicContact CG2-CB 3.83Å; I279-V290 HydrophobicContact CG2-CG1 3.76Å; I279-V290 HydrophobicContact CG2-CG2 4.1Å; F281-V290 HydrophobicContact CD2-CG2 4.14Å; F281-V290 HydrophobicContact CE2-CG2 3.97Å; L286-V290 WeakPolarHBondContact O-CG2 3.48Å; L286-V290 PolarHBondContact O-N 2.86Å; L286-V290 VanDerWaalsContact O-N 3.1Å; R287-V290 PolarHBondContact O-N 3.16Å; V290-G294 PolarHBondContact O-N 2.87Å
291L98.1Very high97.3Very high4 Ų412.5 Ų12.52%0.0217%0.07CC..Hα-helixtrans-68.3-46.7-178.9-179.559.7000111.2F32 Y267 V268 R271 I276 I279 R287 S288 I289 I293 G294 L295F32-L291 HydrophobicContact CE1-CD1 3.93Å; F32-L291 HydrophobicContact CZ-CD1 3.69Å; Y267-L291 HydrophobicContact CE1-CD2 4.24Å; V268-L291 HydrophobicContact CB-CD2 4.3Å; V268-L291 HydrophobicContact CG1-CB 4.23Å; V268-L291 HydrophobicContact CG1-CD2 4.17Å; V268-L291 HydrophobicContact CG1-CG 4.31Å; V268-L291 HydrophobicContact CG2-CD2 4.14Å; V268-L291 HydrophobicContact CG2-CG 4.12Å; R271-L291 HydrophobicContact CB-CD2 4.18Å; R271-L291 HydrophobicContact CG-CD2 4.13Å; I276-L291 HydrophobicContact CD1-CD2 3.97Å; I279-L291 HydrophobicContact CD1-CB 4.11Å; R287-L291 VanDerWaalsContact O-CB 3.26Å; R287-L291 WeakPolarHBondContact O-CB 3.25Å; R287-L291 PolarHBondContact O-N 2.74Å; S288-L291 PolarHBondContact O-N 2.6Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 2.93Å; L291-I293 PolarHBondContact O-N 3.28Å; L291-G294 PolarHBondContact O-N 3.11Å; L291-G294 VanDerWaalsContact O-N 3.15Å; L291-L295 HydrophobicContact CD1-CD2 4.37Å; L291-L295 HydrophobicContact CD1-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.92Å
292S98.5Very high97.6Very high0 Ų011.2 Ų11.20%07%0.065CC..Hα-helixtrans-59.6-44.8179.4660000111.8S288 I289 G294 L295 G303S288-S292 WeakPolarHBondContact O-CB 3.17Å; S288-S292 PolarHBondContact O-N 3.09Å; S288-S292 PolarHBondContact O-OG 2.9Å; S288-S292 VanDerWaalsContact O-OG 3.13Å; I289-S292 PolarHBondContact O-OG 3.01Å; I289-S292 VanDerWaalsContact O-OG 3.09Å; S292-G294 PolarHBondContact O-N 3.49Å; S292-L295 PolarHBondContact O-N 3.17Å; S292-G303 VanDerWaalsContact OG-CA 3.29Å; S292-G303 WeakPolarHBondContact OG-CA 3.39Å
293I98.4Very high98Very high1 Ų13.6 Ų3.61%0.0052%0.024CC..Hα-helixtrans-63.3-42.9175.4-68.3166000110.9Y20 Y24 V30 P35 I289 L291 L295 G296Y20-I293 WeakPolarHBondContact O-CD1 3.17Å; Y24-I293 HydrophobicContact CD1-CG2 3.82Å; Y24-I293 HydrophobicContact CD2-CB 4.42Å; Y24-I293 HydrophobicContact CD2-CD1 3.81Å; Y24-I293 HydrophobicContact CD2-CG1 3.98Å; Y24-I293 HydrophobicContact CD2-CG2 3.54Å; Y24-I293 HydrophobicContact CE1-CG2 4.25Å; Y24-I293 HydrophobicContact CE2-CD1 3.99Å; Y24-I293 HydrophobicContact CE2-CG2 3.99Å; Y24-I293 HydrophobicContact CG-CG2 3.45Å; Y24-I293 VanDerWaalsContact CG-CG2 3.45Å; V30-I293 HydrophobicContact CG2-CG2 3.75Å; P35-I293 HydrophobicContact CB-CB 4.06Å; P35-I293 HydrophobicContact CB-CD1 3.72Å; P35-I293 HydrophobicContact CB-CG2 3.85Å; P35-I293 HydrophobicContact CG-CB 4.05Å; P35-I293 HydrophobicContact CG-CG2 3.77Å; I289-I293 HydrophobicContact CG2-CD1 3.72Å; I289-I293 WeakPolarHBondContact O-CB 3.43Å; I289-I293 WeakPolarHBondContact O-CD1 3.42Å; I289-I293 VanDerWaalsContact O-CG1 3.32Å; I289-I293 WeakPolarHBondContact O-CG1 3.36Å; I289-I293 PolarHBondContact O-N 3.1Å; I289-I293 VanDerWaalsContact O-N 3.1Å; L291-I293 PolarHBondContact O-N 3.28Å; I293-L295 PolarHBondContact O-N 2.98Å; I293-G296 PolarHBondContact O-N 3.47Å
294G97.8Very high98.2Very high0 Ų03.6 Ų3.60%02%0.024CC..Hα-helixtrans-63-28.7178.900000113.9A29 V30 V290 L291 S292 G296A29-G294 WeakPolarHBondContact CA-O 3.49Å; A29-G294 VanDerWaalsContact CB-O 3.3Å; A29-G294 WeakPolarHBondContact CB-O 3.35Å; V30-G294 PolarHBondContact N-O 3.23Å; V30-G294 WeakPolarHBondContact O-CA 3.36Å; V290-G294 PolarHBondContact O-N 2.87Å; L291-G294 PolarHBondContact O-N 3.11Å; L291-G294 VanDerWaalsContact O-N 3.15Å; S292-G294 PolarHBondContact O-N 3.49Å; G294-G296 VanDerWaalsContact C-N 3.27Å; G294-G296 PolarHBondContact O-N 3.47Å
295L98Very high98.3Very high0 Ų03 Ų30%02%0.019CC..Hα-helixtrans-71.6-20.5172.6-63.3-179000112.8V245 I248 V249 N254 T264 V268 L291 S292 I293V245-L295 HydrophobicContact CB-CD2 4.45Å; V245-L295 HydrophobicContact CG1-CD2 3.99Å; V245-L295 HydrophobicContact CG2-CD2 4.35Å; I248-L295 HydrophobicContact CB-CD2 4.05Å; I248-L295 HydrophobicContact CD1-CD2 4.05Å; I248-L295 HydrophobicContact CG2-CD1 4.04Å; I248-L295 HydrophobicContact CG2-CD2 3.83Å; V249-L295 HydrophobicContact CG2-CB 4.23Å; V249-L295 HydrophobicContact CG2-CD2 4.27Å; V249-L295 WeakPolarHBondContact CG2-O 3.41Å; N254-L295 PolarHBondContact ND2-O 2.93Å; T264-L295 HydrophobicContact CG2-CD1 3.65Å; V268-L295 HydrophobicContact CG2-CD1 3.72Å; L291-L295 HydrophobicContact CD1-CD2 4.37Å; L291-L295 HydrophobicContact CD1-CG 4.39Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 2.92Å; S292-L295 PolarHBondContact O-N 3.17Å; I293-L295 PolarHBondContact O-N 2.98Å
296G98.2Very high98.3Very high1 Ų13 Ų31%0.012%0.019CC..  trans66.5-170.3-177.900000113.7N254 I293 G294 T299N254-G296 WeakPolarHBondContact CB-O 3.01Å; N254-G296 PolarHBondContact ND2-O 2.85Å; N254-G296 VanDerWaalsContact ND2-O 3.13Å; I293-G296 PolarHBondContact O-N 3.47Å; G294-G296 VanDerWaalsContact C-N 3.27Å; G294-G296 PolarHBondContact O-N 3.47Å; G296-T299 VanDerWaalsContact C-CG2 3.42Å; G296-T299 VanDerWaalsContact CA-CG2 3.47Å
297G98.1Very high98.4Very high17 Ų172.7 Ų2.718%0.1752%0.018CC..SBendtrans76.9-125.2-178.600000112G26 K27 N254 T299G26-G297 PolarHBondContact N-O 3.44Å; K27-G297 PolarHBondContact O-N 3.25Å; N254-G297 CarbonylContact O-C 3.53Å; N254-G297 WeakPolarHBondContact O-CA 3.43Å; G297-T299 VanDerWaalsContact C-N 3.25Å; G297-T299 PolarHBondContact O-N 3.34Å
298D98.3Very high98.5Very high7 Ų72.1 Ų2.14%0.0372%0.016CC..SBendtrans-8467.7-179.9-170.3-8.4000110.4N130 N254 L256 D300 T301 I302N130-D298 PolarHBondContact ND2-OD2 3.37Å; N254-D298 PolarHBondContact O-N 2.93Å; L256-D298 VanDerWaalsContact CA-OD2 3.24Å; L256-D298 WeakPolarHBondContact CA-OD2 3.42Å; L256-D298 PolarHBondContact N-OD2 3Å; D298-D300 VanDerWaalsContact OD1-OD1 3.11Å; D298-T301 WeakPolarHBondContact OD1-CB 3.47Å; D298-T301 PolarHBondContact OD1-N 3.12Å; D298-T301 PolarHBondContact OD1-OG1 3.31Å; D298-T301 PolarHBondContact OD2-OG1 3.08Å; D298-I302 WeakPolarHBondContact O-CB 3.48Å; D298-I302 WeakPolarHBondContact O-CD1 3.48Å; D298-I302 VanDerWaalsContact O-CG1 3.24Å; D298-I302 WeakPolarHBondContact O-CG1 3.43Å; D298-I302 PolarHBondContact O-N 3.27Å; D298-I302 VanDerWaalsContact O-N 3.12Å
299T98.6Very high98.5Very high0 Ų02.1 Ų2.10%02%0.016CC..Hα-helixtrans-73.6-33.9-165.846.30000113.7G21 Y24 E25 G296 G297 G303G21-T299 PolarHBondContact O-OG1 2.94Å; Y24-T299 PolarHBondContact O-OG1 3.12Å; E25-T299 WeakPolarHBondContact CA-OG1 3.35Å; E25-T299 PolarHBondContact N-OG1 2.78Å; E25-T299 VanDerWaalsContact N-OG1 3.13Å; G296-T299 VanDerWaalsContact C-CG2 3.42Å; G296-T299 VanDerWaalsContact CA-CG2 3.47Å; G297-T299 VanDerWaalsContact C-N 3.25Å; G297-T299 PolarHBondContact O-N 3.34Å; T299-G303 WeakPolarHBondContact O-CA 3.3Å; T299-G303 PolarHBondContact O-N 2.94Å
300D98.6Very high98.5Very high1 Ų12.1 Ų2.11%0.0052%0.016CC..Hα-helixtrans-66.1-52.317255.7-29.7000110.8F22 E25 S54 D298 I302 G303 C304F22-D300 HydrophobicContact CB-CB 4.05Å; E25-D300 WeakPolarHBondContact CG-OD1 3.28Å; S54-D300 VanDerWaalsContact CB-OD2 3.31Å; S54-D300 WeakPolarHBondContact CB-OD2 3.42Å; S54-D300 PolarHBondContact OG-OD2 3.24Å; D298-D300 VanDerWaalsContact OD1-OD1 3.11Å; D300-I302 PolarHBondContact O-N 2.86Å; D300-G303 CarbonylContact O-C 3.58Å; D300-G303 PolarHBondContact O-N 2.85Å; D300-C304 WeakPolarHBondContact O-CB 3.4Å; D300-C304 PolarHBondContact O-N 3.11Å
301T98.9Very high98.5Very high4 Ų42.1 Ų2.13%0.0252%0.016CC..Hα-helixtrans-64.2-44.2-177.9-53.80000112.6D56 N130 M134 D298 G303 M305D56-T301 PolarHBondContact OD1-OG1 3.14Å; D56-T301 VanDerWaalsContact OD2-CA 3.25Å; D56-T301 WeakPolarHBondContact OD2-CA 3.48Å; N130-T301 HydrophobicContact CB-CG2 4.11Å; N130-T301 WeakPolarHBondContact ND2-CG2 3.5Å; M134-T301 HydrophobicContact CB-CG2 3.53Å; D298-T301 WeakPolarHBondContact OD1-CB 3.47Å; D298-T301 PolarHBondContact OD1-N 3.12Å; D298-T301 PolarHBondContact OD1-OG1 3.31Å; D298-T301 PolarHBondContact OD2-OG1 3.08Å; T301-G303 VanDerWaalsContact C-N 3.34Å; T301-M305 HydrophobicContact CG2-CE 3.8Å; T301-M305 HydrophobicContact CG2-SD 4.39Å; T301-M305 WeakPolarHBondContact O-CG 3.12Å; T301-M305 PolarHBondContact O-N 2.83Å; T301-M305 VanDerWaalsContact O-N 3.08Å
302I98.9Very high98.5Very high0 Ų02 Ų20%02%0.015CC..Hα-helixtrans-65.2-42.1177-66.3168.4000110.2N254 T264 A265 V268 D298 D300 A306N254-I302 HydrophobicContact CB-CD1 4.02Å; T264-I302 HydrophobicContact CG2-CD1 4.05Å; T264-I302 HydrophobicContact CG2-CG2 4.16Å; A265-I302 HydrophobicContact CB-CG2 4.3Å; V268-I302 HydrophobicContact CG2-CG2 4.1Å; D298-I302 WeakPolarHBondContact O-CB 3.48Å; D298-I302 WeakPolarHBondContact O-CD1 3.48Å; D298-I302 VanDerWaalsContact O-CG1 3.24Å; D298-I302 WeakPolarHBondContact O-CG1 3.43Å; D298-I302 PolarHBondContact O-N 3.27Å; D298-I302 VanDerWaalsContact O-N 3.12Å; D300-I302 PolarHBondContact O-N 2.86Å; I302-A306 WeakPolarHBondContact O-CB 3.3Å; I302-A306 PolarHBondContact O-N 3.25Å
303G98.8Very high98.4Very high0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-61.1-50.2176.900000112.2G17 S292 T299 D300 T301 A306 T307G17-G303 VanDerWaalsContact CA-C 3.47Å; S292-G303 VanDerWaalsContact OG-CA 3.29Å; S292-G303 WeakPolarHBondContact OG-CA 3.39Å; T299-G303 WeakPolarHBondContact O-CA 3.3Å; T299-G303 PolarHBondContact O-N 2.94Å; D300-G303 CarbonylContact O-C 3.58Å; D300-G303 PolarHBondContact O-N 2.85Å; T301-G303 VanDerWaalsContact C-N 3.34Å; G303-A306 PolarHBondContact O-N 2.8Å; G303-T307 WeakPolarHBondContact O-CB 3.3Å; G303-T307 PolarHBondContact O-N 3.35Å; G303-T307 PolarHBondContact O-OG1 3.49Å
304C98.9Very high98.3Very high6 Ų67.3 Ų7.34%0.0414%0.04CC..Hα-helixtrans-54-56.5177.9175.80000110.8G14 D18 D56 D300 A306 A308G14-C304 WeakPolarHBondContact CA-O 3.47Å; D18-C304 HydrophobicContact CB-CB 4.15Å; D56-C304 HydrophobicContact CB-CB 4.49Å; D56-C304 VanDerWaalsContact OD2-CB 3.24Å; D56-C304 WeakPolarHBondContact OD2-CB 3.38Å; D300-C304 WeakPolarHBondContact O-CB 3.4Å; D300-C304 PolarHBondContact O-N 3.11Å; C304-A306 PolarHBondContact O-N 3.38Å; C304-A308 VanDerWaalsContact O-CB 3.25Å; C304-A308 WeakPolarHBondContact O-CB 3.13Å; C304-A308 PolarHBondContact O-N 3.26Å
305M98.9Very high98.2Very high1 Ų17.7 Ų7.71%0.0054%0.043CC..Hα-helixtrans-62.5-46.7-179.3-69.7-172.6-60.300112.6A133 Q175 V262 A265 T301 L309A133-M305 HydrophobicContact CB-SD 3.6Å; Q175-M305 HydrophobicContact CG-CG 4.32Å; Q175-M305 HydrophobicContact CG-SD 4.46Å; Q175-M305 PolarHBondContact NE2-O 3.08Å; V262-M305 HydrophobicContact CG2-CE 4.02Å; V262-M305 HydrophobicContact CG2-SD 3.88Å; A265-M305 HydrophobicContact CB-CB 3.66Å; A265-M305 HydrophobicContact CB-CE 3.85Å; T301-M305 HydrophobicContact CG2-CE 3.8Å; T301-M305 HydrophobicContact CG2-SD 4.39Å; T301-M305 WeakPolarHBondContact O-CG 3.12Å; T301-M305 PolarHBondContact O-N 2.83Å; T301-M305 VanDerWaalsContact O-N 3.08Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 2.86Å
306A98.9Very high98Very high0 Ų07.7 Ų7.70%04%0.044CC..Hα-helixtrans-68.3-41.5-177.100000112.3A265 V268 F269 I302 G303 C304 L309 A310A265-A306 HydrophobicContact CB-CB 4.16Å; A265-A306 WeakPolarHBondContact O-CB 3.43Å; V268-A306 HydrophobicContact CB-CB 3.78Å; V268-A306 HydrophobicContact CG1-CB 3.55Å; F269-A306 HydrophobicContact CB-CB 4.46Å; I302-A306 WeakPolarHBondContact O-CB 3.3Å; I302-A306 PolarHBondContact O-N 3.25Å; G303-A306 PolarHBondContact O-N 2.8Å; C304-A306 PolarHBondContact O-N 3.38Å; A306-L309 PolarHBondContact O-N 3.12Å; A306-A310 WeakPolarHBondContact O-CB 3.36Å; A306-A310 PolarHBondContact O-N 3.42Å
307T98.7Very high97.7Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-75.5-30.1-176.4-49.40000110.9G13 M16 P285 I289 G303 G311G13-T307 WeakPolarHBondContact CA-O 3.35Å; G13-T307 WeakPolarHBondContact O-CB 3.49Å; G13-T307 WeakPolarHBondContact O-CG2 3.45Å; M16-T307 HydrophobicContact CE-CG2 4.43Å; P285-T307 HydrophobicContact CB-CG2 3.81Å; I289-T307 HydrophobicContact CD1-CG2 4.15Å; I289-T307 HydrophobicContact CG1-CG2 3.95Å; G303-T307 WeakPolarHBondContact O-CB 3.3Å; G303-T307 PolarHBondContact O-N 3.35Å; G303-T307 PolarHBondContact O-OG1 3.49Å; T307-G311 PolarHBondContact O-N 2.87Å
308A98.9Very high97Very high2 Ų213.1 Ų13.12%0.0177%0.07CC..Hα-helixtrans-61-43.7167.500000112.2V10 C304 G312V10-A308 WeakPolarHBondContact CA-O 3.49Å; V10-A308 HydrophobicContact CG1-CB 4.48Å; V10-A308 WeakPolarHBondContact O-CA 3.28Å; V10-A308 VanDerWaalsContact O-CB 3.29Å; V10-A308 WeakPolarHBondContact O-CB 3.45Å; C304-A308 VanDerWaalsContact O-CB 3.25Å; C304-A308 WeakPolarHBondContact O-CB 3.13Å; C304-A308 PolarHBondContact O-N 3.26Å; A308-G312 PolarHBondContact O-N 3.07Å
309L98.9Very high96.3Very high1 Ų116.9 Ų16.91%0.0059%0.09CC..Hα-helixtrans-67.5-46.9176-62.7177.8000111.6A178 I179 I182 L266 F269 M305 A306 G311 G312 Y313A178-L309 HydrophobicContact CB-CD1 3.99Å; A178-L309 HydrophobicContact CB-CD2 3.55Å; A178-L309 HydrophobicContact CB-CG 4.44Å; I179-L309 HydrophobicContact CG1-CD2 3.63Å; I182-L309 HydrophobicContact CD1-CB 3.8Å; I182-L309 HydrophobicContact CD1-CD2 3.72Å; I182-L309 HydrophobicContact CD1-CG 4.3Å; L266-L309 HydrophobicContact CD2-CD1 3.73Å; F269-L309 HydrophobicContact CB-CB 4.08Å; F269-L309 HydrophobicContact CB-CD1 4.24Å; F269-L309 HydrophobicContact CD1-CB 3.83Å; F269-L309 HydrophobicContact CD1-CD1 3.91Å; F269-L309 HydrophobicContact CD2-CB 3.79Å; F269-L309 HydrophobicContact CE1-CB 4.21Å; F269-L309 HydrophobicContact CE2-CB 4.16Å; F269-L309 HydrophobicContact CG-CB 3.61Å; F269-L309 HydrophobicContact CG-CD1 4.19Å; F269-L309 HydrophobicContact CZ-CB 4.36Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 2.86Å; A306-L309 PolarHBondContact O-N 3.12Å; L309-G311 PolarHBondContact O-N 3.17Å; L309-G312 PolarHBondContact O-N 3.05Å; L309-Y313 WeakPolarHBondContact O-CB 3.35Å; L309-Y313 PolarHBondContact O-N 3.12Å
310A98.5Very high95.4Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-60.1-46.3178.700000111.7F269 P284 P285 A306 Y313 I314F269-A310 VanDerWaalsContact CD2-CA 3.5Å; F269-A310 HydrophobicContact CD2-CB 3.88Å; F269-A310 HydrophobicContact CE2-CB 4.41Å; P284-A310 HydrophobicContact CB-CB 4.32Å; P285-A310 HydrophobicContact CB-CB 4.34Å; P285-A310 HydrophobicContact CG-CB 3.85Å; A306-A310 WeakPolarHBondContact O-CB 3.36Å; A306-A310 PolarHBondContact O-N 3.42Å; A310-Y313 PolarHBondContact O-N 2.9Å; A310-I314 WeakPolarHBondContact O-CG1 3.25Å; A310-I314 PolarHBondContact O-N 3.05Å; A310-I314 VanDerWaalsContact O-N 3.14Å
311G97.8Very high94.5Very high0 Ų030.5 Ų30.50%016%0.161CC..Hα-helixtrans-67.8-40179.800000111.3G9 T307 L309 Y313 G315G9-G311 WeakPolarHBondContact CA-O 3.49Å; G9-G311 CarbonylContact O-C 3.59Å; G9-G311 VanDerWaalsContact O-CA 3.3Å; G9-G311 WeakPolarHBondContact O-CA 3.34Å; T307-G311 PolarHBondContact O-N 2.87Å; L309-G311 PolarHBondContact O-N 3.17Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 3.47Å; G311-G315 VanDerWaalsContact O-CA 3.24Å; G311-G315 WeakPolarHBondContact O-CA 3.44Å; G311-G315 PolarHBondContact O-N 2.85Å
312G97.9Very high93.7Very high0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-57.7-45.8170.600000112.2F6 G9 I186 A308 L309F6-G312 VanDerWaalsContact CD2-O 3.24Å; F6-G312 WeakPolarHBondContact CD2-O 3.38Å; G9-G312 PolarHBondContact O-N 3.4Å; I186-G312 WeakPolarHBondContact CD1-O 3.29Å; A308-G312 PolarHBondContact O-N 3.07Å; L309-G312 PolarHBondContact O-N 3.05Å
313Y97.7Very high93Very high54 Ų5435.5 Ų35.521%0.21219%0.192CC..Hα-helixtrans-64.3-41.9-177.1-174.3-109.8000113.9I182 L192 F269 L273 L309 A310 G311I182-Y313 HydrophobicContact CG2-CD2 4.16Å; L192-Y313 HydrophobicContact CB-CE2 3.59Å; L192-Y313 WeakPolarHBondContact CB-OH 3.21Å; L192-Y313 HydrophobicContact CD1-CD2 4.31Å; L192-Y313 HydrophobicContact CD1-CE2 4.17Å; L192-Y313 PolarHBondContact N-OH 3.31Å; L192-Y313 VanDerWaalsContact N-OH 3.1Å; F269-Y313 HydrophobicContact CE2-CG 4.32Å; F269-Y313 HydrophobicContact CZ-CG 4.28Å; L273-Y313 HydrophobicContact CD1-CD1 4.44Å; L273-Y313 HydrophobicContact CD1-CE1 4.22Å; L273-Y313 HydrophobicContact CD2-CD1 3.52Å; L273-Y313 HydrophobicContact CD2-CE1 3.84Å; L273-Y313 HydrophobicContact CD2-CG 4.41Å; L309-Y313 WeakPolarHBondContact O-CB 3.35Å; L309-Y313 PolarHBondContact O-N 3.12Å; A310-Y313 PolarHBondContact O-N 2.9Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 3.47Å
314I95.5Very high92.4Very high60 Ų6035.6 Ų35.631%0.30819%0.193SC..Hα-helixtrans-88.8-21.2178.863.2144.5000114P284 P285 A310 T323P284-I314 HydrophobicContact CB-CG2 4.49Å; P284-I314 HydrophobicContact CG-CG2 3.74Å; P285-I314 HydrophobicContact CG-CD1 3.81Å; P285-I314 HydrophobicContact CG-CG1 3.96Å; A310-I314 WeakPolarHBondContact O-CG1 3.25Å; A310-I314 PolarHBondContact O-N 3.05Å; A310-I314 VanDerWaalsContact O-N 3.14Å; I314-T323 WeakPolarHBondContact CD1-OG1 3.33Å
315G95.5Very high91.8Very high7 Ų739.5 Ų39.57%0.07221%0.213CC..  trans70.9155.2-166.300000113.4S5 G311S5-G315 WeakPolarHBondContact O-CA 3.47Å; S5-G315 VanDerWaalsContact OG-CA 3.27Å; S5-G315 WeakPolarHBondContact OG-CA 3.31Å; G311-G315 VanDerWaalsContact O-CA 3.24Å; G311-G315 WeakPolarHBondContact O-CA 3.44Å; G311-G315 PolarHBondContact O-N 2.85Å
316I94.3Very high91.3Very high1 Ų148.1 Ų48.11%0.00525%0.245CC..  trans-124.192.8170.3-61.7171.1000107.9S5 R8 I12 M16 I324 I329S5-I316 PolarHBondContact O-N 3.33Å; S5-I316 PolarHBondContact OG-N 3.3Å; S5-I316 VanDerWaalsContact OG-N 3.11Å; R8-I316 HydrophobicContact CB-CB 4.27Å; R8-I316 PolarHBondContact NH1-O 3.04Å; I12-I316 HydrophobicContact CB-CD1 4.15Å; I12-I316 HydrophobicContact CG2-CD1 4.24Å; M16-I316 HydrophobicContact CE-CD1 4.02Å; I316-I324 HydrophobicContact CD1-CD1 3.64Å; I316-I324 HydrophobicContact CG1-CD1 3.87Å; I316-I329 HydrophobicContact CG2-CD1 4.09Å
317P90.3Very high90.8Very high25 Ų2551.8 Ų51.816%0.16227%0.265CS..  trans-69154.9179.830.4-35.9000111.4R8 D319 N321R8-P317 PolarHBondContact NH1-O 2.8Å; P317-D319 PolarHBondContact O-N 2.89Å; P317-N321 HydrophobicContact CG-CB 4.42Å
318N84Confident90.6Very high107 Ų10751.8 Ų51.857%0.57227%0.265SS*.SBendtrans-89.526.4-177.9-160.917.5000113.4R8R8-N318 VanDerWaalsContact NH1-CB 3.32Å; R8-N318 PolarHBondContact NH2-OD1 3.13Å; R8-N318 VanDerWaalsContact NH2-OD1 3.1Å
319D83.5Confident90.3Very high85 Ų8552 Ų5246%0.45527%0.266SS..SBendtrans-131.8-174.8-175.668.119.9000110.7P317 N321 S322P317-D319 PolarHBondContact O-N 2.89Å; D319-N321 PolarHBondContact O-N 3.04Å; D319-N321 VanDerWaalsContact O-N 3.17Å; D319-N321 WeakPolarHBondContact OD1-CA 3.24Å; D319-N321 WeakPolarHBondContact OD1-CB 3.28Å; D319-N321 PolarHBondContact OD1-N 3.34Å; D319-N321 PolarHBondContact OD1-ND2 2.89Å; D319-N321 PolarHBondContact OD2-ND2 3.34Å; D319-N321 VanDerWaalsContact OD2-ND2 3.08Å; D319-S322 PolarHBondContact O-N 3.1Å
320I79.7Confident90.1Very high169 Ų16954.7 Ų54.787%0.86728%0.282SS*.THydrogen-bonded Turntrans-67.7-10.1-178-164.9155.3000113.8S322I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 PolarHBondContact O-N 3.47Å
321N79.8Confident90Very high118 Ų11855.5 Ų55.563%0.63129%0.287SS*.THydrogen-bonded Turntrans-82.5-2.8179.5-55-56.3000112.8P317 D319 T323P317-N321 HydrophobicContact CG-CB 4.42Å; D319-N321 PolarHBondContact O-N 3.04Å; D319-N321 VanDerWaalsContact O-N 3.17Å; D319-N321 WeakPolarHBondContact OD1-CA 3.24Å; D319-N321 WeakPolarHBondContact OD1-CB 3.28Å; D319-N321 PolarHBondContact OD1-N 3.34Å; D319-N321 PolarHBondContact OD1-ND2 2.89Å; D319-N321 PolarHBondContact OD2-ND2 3.34Å; D319-N321 VanDerWaalsContact OD2-ND2 3.08Å; N321-T323 PolarHBondContact O-N 3.29Å
322S82.9Confident90Very high22 Ų2255.6 Ų55.615%0.15429%0.287CS..  trans-62.8125.5177.61800000111.3D319 I320 I324D319-S322 PolarHBondContact O-N 3.1Å; I320-S322 VanDerWaalsContact C-N 3.26Å; I320-S322 PolarHBondContact O-N 3.47Å; S322-I324 WeakPolarHBondContact CB-O 3.12Å; S322-I324 PolarHBondContact O-N 3.38Å; S322-I324 PolarHBondContact OG-N 2.78Å; S322-I324 VanDerWaalsContact OG-N 3.16Å; S322-I324 PolarHBondContact OG-O 2.98Å
323T83.4Confident90Very high87 Ų8757.4 Ų57.453%0.53430%0.296SS..SBendtrans-72.2-5.9171.761.20000112.7I314 N321I314-T323 WeakPolarHBondContact CD1-OG1 3.33Å; N321-T323 PolarHBondContact O-N 3.29Å
324I86.6Confident89.9Confident3 Ų356.2 Ų56.22%0.01530%0.295CS..SBendtrans-112.3117.7174.3-54.5-176.5000108M16 P285 I316 S322 I328 I329M16-I324 HydrophobicContact CE-CD1 3.58Å; M16-I324 HydrophobicContact CE-CG2 4.23Å; M16-I324 HydrophobicContact SD-CD1 4.43Å; M16-I324 HydrophobicContact SD-CG2 3.76Å; P285-I324 HydrophobicContact CB-CD1 3.63Å; P285-I324 HydrophobicContact CG-CD1 3.85Å; I316-I324 HydrophobicContact CD1-CD1 3.64Å; I316-I324 HydrophobicContact CG1-CD1 3.87Å; S322-I324 WeakPolarHBondContact CB-O 3.12Å; S322-I324 PolarHBondContact O-N 3.38Å; S322-I324 PolarHBondContact OG-N 2.78Å; S322-I324 VanDerWaalsContact OG-N 3.16Å; S322-I324 PolarHBondContact OG-O 2.98Å; I324-I328 HydrophobicContact CG2-CB 4.47Å; I324-I328 HydrophobicContact CG2-CD1 4.41Å; I324-I329 HydrophobicContact CB-CD1 4.23Å; I324-I329 HydrophobicContact CG2-CD1 3.72Å; I324-I329 HydrophobicContact CG2-CG1 3.74Å
325L86.4Confident90Very high87 Ų8754.7 Ų54.746%0.45529%0.286SS..  trans-69.9139.9-177.8-65.7174.2000110.9I43 N327 I328I43-L325 HydrophobicContact CB-CD1 4.24Å; I43-L325 HydrophobicContact CG1-CD1 4.16Å; I43-L325 HydrophobicContact CG2-CD1 3.49Å; I43-L325 VanDerWaalsContact CG2-CD1 3.49Å; L325-N327 PolarHBondContact O-N 3.08Å; L325-N327 VanDerWaalsContact O-N 3.12Å; L325-I328 HydrophobicContact CB-CD1 4.46Å; L325-I328 WeakPolarHBondContact O-CB 3.3Å; L325-I328 PolarHBondContact O-N 2.94Å
326R87.9Confident90Very high182 Ų18262 Ų6269%0.68732%0.318SS*.Hα-helixtrans-52.3-37.4-179.5-172.1173.9179.6-160.5-0.9112.7I328 I329 T330R326-I328 PolarHBondContact O-N 2.91Å; R326-I329 PolarHBondContact O-N 3.21Å; R326-I329 VanDerWaalsContact O-N 3.11Å; R326-T330 HydrophobicContact CG-CG2 3.66Å; R326-T330 WeakPolarHBondContact O-CG2 3.46Å; R326-T330 PolarHBondContact O-N 3.39Å; R326-T330 PolarHBondContact O-OG1 3.29Å
327N88.9Confident90.2Very high77 Ų7764.9 Ų64.941%0.41233%0.331SS..Hα-helixtrans-57.4-34.3179.6-66-5.5000113.4S42 I43 L325 L331S42-N327 WeakPolarHBondContact O-CB 3.41Å; I43-N327 PolarHBondContact O-ND2 3.13Å; I43-N327 VanDerWaalsContact O-ND2 3.17Å; L325-N327 PolarHBondContact O-N 3.08Å; L325-N327 VanDerWaalsContact O-N 3.12Å; N327-L331 WeakPolarHBondContact O-CD1 3.48Å; N327-L331 VanDerWaalsContact O-CG 3.23Å; N327-L331 WeakPolarHBondContact O-CG 3Å
328I93.1Very high90.5Very high1 Ų163.9 Ų63.91%0.00533%0.325CS..Hα-helixtrans-69.7-48.2176.9-65.9162.1000109.7M16 Y20 L39 I43 L286 I324 L325 R326 L331M16-I328 HydrophobicContact SD-CG2 3.85Å; Y20-I328 HydrophobicContact CE2-CG2 3.66Å; L39-I328 HydrophobicContact CD2-CG2 4.27Å; I43-I328 HydrophobicContact CD1-CD1 3.9Å; I43-I328 HydrophobicContact CG1-CD1 3.35Å; I43-I328 HydrophobicContact CG1-CG1 3.75Å; L286-I328 HydrophobicContact CD1-CD1 3.99Å; L286-I328 HydrophobicContact CD2-CD1 3.87Å; L286-I328 HydrophobicContact CD2-CG2 4.42Å; I324-I328 HydrophobicContact CG2-CB 4.47Å; I324-I328 HydrophobicContact CG2-CD1 4.41Å; L325-I328 HydrophobicContact CB-CD1 4.46Å; L325-I328 WeakPolarHBondContact O-CB 3.3Å; L325-I328 PolarHBondContact O-N 2.94Å; R326-I328 PolarHBondContact O-N 2.91Å; I328-L331 PolarHBondContact O-N 3.08Å
329I93.6Very high91.1Very high6 Ų660 Ų603%0.03130%0.303CS..Hα-helixtrans-67.9-45.3-173.8-63.9166.4000110.7I12 M16 I316 I324 R326 L331 C332 Y335I12-I329 HydrophobicContact CD1-CG2 4.46Å; I12-I329 HydrophobicContact CG2-CB 4.25Å; I12-I329 HydrophobicContact CG2-CD1 4.07Å; I12-I329 HydrophobicContact CG2-CG1 3.81Å; I12-I329 HydrophobicContact CG2-CG2 3.5Å; I12-I329 VanDerWaalsContact CG2-CG2 3.5Å; M16-I329 HydrophobicContact CG-CG1 4.5Å; M16-I329 HydrophobicContact SD-CG1 3.62Å; I316-I329 HydrophobicContact CG2-CD1 4.09Å; I324-I329 HydrophobicContact CB-CD1 4.23Å; I324-I329 HydrophobicContact CG2-CD1 3.72Å; I324-I329 HydrophobicContact CG2-CG1 3.74Å; R326-I329 PolarHBondContact O-N 3.21Å; R326-I329 VanDerWaalsContact O-N 3.11Å; I329-L331 PolarHBondContact O-N 3.2Å; I329-C332 WeakPolarHBondContact O-CB 3.38Å; I329-C332 PolarHBondContact O-N 2.83Å; I329-Y335 HydrophobicContact CG2-CD2 3.15Å; I329-Y335 HydrophobicContact CG2-CE2 3.3Å; I329-Y335 HydrophobicContact CG2-CG 3.86Å
330T94.2Very high91.8Very high57 Ų5760.9 Ų60.935%0.3531%0.305SS..THydrogen-bonded Turntrans-71.5-12.6-176.4550000113.9R326 C332 Y335R326-T330 HydrophobicContact CG-CG2 3.66Å; R326-T330 WeakPolarHBondContact O-CG2 3.46Å; R326-T330 PolarHBondContact O-N 3.39Å; R326-T330 PolarHBondContact O-OG1 3.29Å; T330-C332 VanDerWaalsContact C-N 3.29Å; T330-Y335 HydrophobicContact CG2-CD1 3.94Å; T330-Y335 HydrophobicContact CG2-CE1 3.74Å
331L96Very high92.7Very high18 Ų1853.6 Ų53.69%0.09427%0.266CS..THydrogen-bonded Turntrans-74.3-22.4170.8-76.8168.8000112.1E47 Q50 L51 N327 I328 I329E47-L331 HydrophobicContact CB-CD1 3.93Å; Q50-L331 CarbonylContact C-O 3.34Å; Q50-L331 WeakPolarHBondContact CA-O 3.3Å; Q50-L331 WeakPolarHBondContact CG-O 3.49Å; L51-L331 HydrophobicContact CG-CB 4.41Å; L51-L331 PolarHBondContact N-O 2.95Å; N327-L331 WeakPolarHBondContact O-CD1 3.48Å; N327-L331 VanDerWaalsContact O-CG 3.23Å; N327-L331 WeakPolarHBondContact O-CG 3Å; I328-L331 PolarHBondContact O-N 3.08Å; I329-L331 PolarHBondContact O-N 3.2Å
332C97.8Very high93.6Very high2 Ų248 Ų481%0.01424%0.236CC..BIsolated β-bridgetrans-76.2128.6-178.9-58.10000110.5L15 C19 I329 T330 Y335L15-C332 HydrophobicContact CD1-CB 4.18Å; L15-C332 HydrophobicContact CD2-CB 3.69Å; L15-C332 HydrophobicContact CG-CB 3.7Å; C19-C332 HydrophobicContact CB-CB 4.13Å; I329-C332 WeakPolarHBondContact O-CB 3.38Å; I329-C332 PolarHBondContact O-N 2.83Å; T330-C332 VanDerWaalsContact C-N 3.29Å; C332-Y335 WeakPolarHBondContact O-CB 3.19Å; C332-Y335 PolarHBondContact O-N 3.21Å
333E97.6Very high94.3Very high38 Ų3849.2 Ų49.218%0.17825%0.245CC..THydrogen-bonded Turntrans-56.3141.3173.7-178.7-172179.600111L15 Q50 L51 M52 Y53 R93 Y335L15-E333 WeakPolarHBondContact CD1-O 3.42Å; Q50-E333 HydrophobicContact CG-CB 4.02Å; L51-E333 VanDerWaalsContact O-CB 3.27Å; L51-E333 WeakPolarHBondContact O-CB 3.45Å; L51-E333 PolarHBondContact O-N 3.37Å; M52-E333 WeakPolarHBondContact CA-OE2 3.41Å; M52-E333 WeakPolarHBondContact CG-OE2 3.19Å; Y53-E333 HydrophobicContact CD1-CB 3.75Å; Y53-E333 HydrophobicContact CD1-CG 3.64Å; Y53-E333 WeakPolarHBondContact CD1-OE2 3.48Å; Y53-E333 HydrophobicContact CE1-CB 4.31Å; Y53-E333 HydrophobicContact CE1-CG 3.66Å; Y53-E333 WeakPolarHBondContact CE1-OE1 3.39Å; Y53-E333 PolarHBondContact N-OE2 3.1Å; R93-E333 IonicContact CZ-OE1 2.78Å; R93-E333 IonicContact CZ-OE2 2.68Å; R93-E333 IonicContact NH1-OE1 3.74Å; R93-E333 IonicContact NH1-OE2 2.59Å; R93-E333 PolarHBondContact NH1-OE2 2.83Å; R93-E333 IonicContact NH2-OE1 3.93Å; R93-E333 PolarHBondContact NH2-OE1 3.42Å; R93-E333 IonicContact NH2-OE2 2.67Å; R93-E333 PolarHBondContact NH2-OE2 3.19Å; E333-Y335 PolarHBondContact O-N 3.14Å
334S96.8Very high95Very high29 Ų2947.1 Ų47.120%0.20323%0.227CC..THydrogen-bonded Turntrans6316-178.3-54.30000116.1Y53 E336 E337 I338Y53-S334 VanDerWaalsContact CE1-OG 3.23Å; Y53-S334 WeakPolarHBondContact CE1-OG 3.44Å; S334-E336 VanDerWaalsContact C-N 3.27Å; S334-E336 PolarHBondContact O-N 3.3Å; S334-E337 PolarHBondContact O-N 3.33Å; S334-I338 WeakPolarHBondContact O-CG1 3.4Å; S334-I338 PolarHBondContact O-N 3.36Å
335Y96.4Very high95.5Very high27 Ų2747 Ų4711%0.10623%0.227CC..Hα-helixtrans-49.3-47.3171.3155.2-111.2000112.8I12 I329 T330 C332 E333 E337 I338 E339I12-Y335 HydrophobicContact CD1-CD2 4.46Å; I12-Y335 HydrophobicContact CD1-CE2 4.09Å; I329-Y335 HydrophobicContact CG2-CD2 3.15Å; I329-Y335 HydrophobicContact CG2-CE2 3.3Å; I329-Y335 HydrophobicContact CG2-CG 3.86Å; T330-Y335 HydrophobicContact CG2-CD1 3.94Å; T330-Y335 HydrophobicContact CG2-CE1 3.74Å; C332-Y335 WeakPolarHBondContact O-CB 3.19Å; C332-Y335 PolarHBondContact O-N 3.21Å; E333-Y335 PolarHBondContact O-N 3.14Å; Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 PolarHBondContact O-N 2.9Å; Y335-I338 PolarHBondContact O-N 3.5Å; Y335-E339 HydrophobicContact CE2-CB 4.08Å; Y335-E339 HydrophobicContact CE2-CG 4.46Å; Y335-E339 WeakPolarHBondContact CE2-OE2 3.44Å; Y335-E339 WeakPolarHBondContact O-CB 3.44Å; Y335-E339 PolarHBondContact O-N 3.45Å
336E96.8Very high96Very high160 Ų16043 Ų4375%0.74821%0.206SC*.Hα-helixtrans-64.4-38.2-176.2-66167.1165.300112S334 E339 E340S334-E336 VanDerWaalsContact C-N 3.27Å; S334-E336 PolarHBondContact O-N 3.3Å; E336-E339 PolarHBondContact O-N 3.18Å; E336-E340 PolarHBondContact O-N 3.49Å; E336-E340 VanDerWaalsContact O-N 3.16Å
337E97.9Very high96.4Very high62 Ų6238.1 Ų38.129%0.2919%0.193SC..Hα-helixtrans-67.4-43.8174.6-176.4176.5-172.100111L61 S334 Y335 E339 E340 Y341L61-E337 HydrophobicContact CD2-CG 3.93Å; S334-E337 PolarHBondContact O-N 3.33Å; Y335-E337 VanDerWaalsContact C-N 3.34Å; Y335-E337 PolarHBondContact O-N 2.9Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 3.1Å; E337-E340 PolarHBondContact O-N 3.41Å; E337-Y341 HydrophobicContact CG-CD2 3.94Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 WeakPolarHBondContact O-CD2 3.41Å; E337-Y341 PolarHBondContact O-N 2.94Å; E337-Y341 VanDerWaalsContact O-N 3.11Å
338I98Very high96.7Very high4 Ų436.4 Ų36.42%0.02118%0.181CC..Hα-helixtrans-61.9-39.9175.8-71.4-68.9000111.7L11 I12 L15 L61 L64 S334 Y335 E340 Y341 A342L11-I338 HydrophobicContact CB-CG2 3.74Å; I12-I338 HydrophobicContact CG1-CG2 3.92Å; L15-I338 HydrophobicContact CD2-CB 4.38Å; L15-I338 HydrophobicContact CD2-CG1 4.2Å; L61-I338 HydrophobicContact CD2-CD1 3.49Å; L61-I338 VanDerWaalsContact CD2-CD1 3.49Å; L61-I338 HydrophobicContact CD2-CG1 4.06Å; L61-I338 HydrophobicContact CG-CD1 4.12Å; L64-I338 HydrophobicContact CD1-CD1 4.08Å; S334-I338 WeakPolarHBondContact O-CG1 3.4Å; S334-I338 PolarHBondContact O-N 3.36Å; Y335-I338 PolarHBondContact O-N 3.5Å; I338-E340 PolarHBondContact O-N 3.45Å; I338-Y341 PolarHBondContact O-N 3.13Å; I338-A342 WeakPolarHBondContact O-CB 3.44Å; I338-A342 PolarHBondContact O-N 3.37Å
339E96.7Very high96.7Very high27 Ų2736.7 Ų36.713%0.12618%0.183CC..Hα-helixtrans-60.5-43.4176-177.471.4-154.100111.3R8 I12 Y335 E336 E337 Y341 A342 S343R8-E339 WeakPolarHBondContact CD-OE1 3.27Å; R8-E339 IonicContact CZ-OE1 3.31Å; R8-E339 VanDerWaalsContact CZ-OE1 3.31Å; R8-E339 IonicContact CZ-OE2 3.22Å; R8-E339 VanDerWaalsContact CZ-OE2 3.22Å; R8-E339 IonicContact NE-OE1 2.84Å; R8-E339 PolarHBondContact NE-OE1 3.42Å; R8-E339 IonicContact NE-OE2 2.78Å; R8-E339 PolarHBondContact NE-OE2 3.12Å; R8-E339 IonicContact NH2-OE1 3.25Å; R8-E339 PolarHBondContact NH2-OE1 3.11Å; R8-E339 IonicContact NH2-OE2 2.84Å; R8-E339 PolarHBondContact NH2-OE2 3.32Å; I12-E339 VanDerWaalsContact CD1-OE2 3.31Å; I12-E339 WeakPolarHBondContact CD1-OE2 3.31Å; Y335-E339 HydrophobicContact CE2-CB 4.08Å; Y335-E339 HydrophobicContact CE2-CG 4.46Å; Y335-E339 WeakPolarHBondContact CE2-OE2 3.44Å; Y335-E339 WeakPolarHBondContact O-CB 3.44Å; Y335-E339 PolarHBondContact O-N 3.45Å; E336-E339 PolarHBondContact O-N 3.18Å; E337-E339 VanDerWaalsContact C-N 3.33Å; E337-E339 PolarHBondContact O-N 3.1Å; E339-Y341 PolarHBondContact O-N 3.45Å; E339-A342 PolarHBondContact O-N 3.19Å; E339-S343 PolarHBondContact O-N 2.98Å
340E97.9Very high96.4Very high102 Ų10241.4 Ų41.448%0.47721%0.205SC..Hα-helixtrans-61.6-44.1175.6-169.7-172.3158.300111.5R68 E336 E337 I338 S343 W344R68-E340 IonicContact CZ-OE1 3.17Å; R68-E340 IonicContact NH1-OE1 2.68Å; R68-E340 PolarHBondContact NH1-OE1 3.06Å; R68-E340 IonicContact NH2-OE1 2.73Å; R68-E340 PolarHBondContact NH2-OE1 2.81Å; E336-E340 PolarHBondContact O-N 3.49Å; E336-E340 VanDerWaalsContact O-N 3.16Å; E337-E340 PolarHBondContact O-N 3.41Å; I338-E340 PolarHBondContact O-N 3.45Å; E340-S343 WeakPolarHBondContact O-CB 3.36Å; E340-S343 PolarHBondContact O-N 3.46Å; E340-W344 PolarHBondContact O-N 2.97Å
341Y98.5Very high95.5Very high16 Ų1645.8 Ų45.86%0.06322%0.224CC..Hα-helixtrans-67.5-36.1177.5-78.3-59.7000113.6L61 L64 R65 R68 E337 I338 E339 S343 W344 L345L61-Y341 HydrophobicContact CD2-CD2 4.14Å; L61-Y341 HydrophobicContact CD2-CE2 4.13Å; L64-Y341 HydrophobicContact CB-CD1 3.67Å; L64-Y341 HydrophobicContact CB-CD2 3.9Å; L64-Y341 HydrophobicContact CB-CE1 3.76Å; L64-Y341 HydrophobicContact CB-CE2 3.99Å; L64-Y341 HydrophobicContact CB-CG 3.76Å; L64-Y341 HydrophobicContact CD1-CD1 4.48Å; L64-Y341 HydrophobicContact CD1-CD2 3.76Å; L64-Y341 HydrophobicContact CD1-CG 3.76Å; L64-Y341 HydrophobicContact CD2-CD1 4.15Å; L64-Y341 HydrophobicContact CD2-CG 4.09Å; L64-Y341 HydrophobicContact CG-CD1 4.3Å; L64-Y341 HydrophobicContact CG-CD2 4.34Å; L64-Y341 HydrophobicContact CG-CG 4.06Å; R65-Y341 WeakPolarHBondContact CG-OH 3.42Å; R68-Y341 HydrophobicContact CB-CE1 4.18Å; E337-Y341 HydrophobicContact CG-CD2 3.94Å; E337-Y341 HydrophobicContact CG-CE2 3.57Å; E337-Y341 WeakPolarHBondContact O-CD2 3.41Å; E337-Y341 PolarHBondContact O-N 2.94Å; E337-Y341 VanDerWaalsContact O-N 3.11Å; I338-Y341 PolarHBondContact O-N 3.13Å; E339-Y341 PolarHBondContact O-N 3.45Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 3.19Å; Y341-W344 HydrophobicContact CD1-CE3 4.03Å; Y341-W344 PolarHBondContact O-N 2.74Å; Y341-L345 PolarHBondContact O-N 3Å
342A98.1Very high93.8Very high0 Ų054.2 Ų54.20%026%0.255CS..Hα-helixtrans-61.4-42.4173.800000111C7 R8 L11 I338 E339 S346C7-A342 HydrophobicContact CB-CB 4.35Å; R8-A342 HydrophobicContact CB-CB 4.46Å; R8-A342 HydrophobicContact CG-CB 3.66Å; L11-A342 HydrophobicContact CD1-CB 4.07Å; I338-A342 WeakPolarHBondContact O-CB 3.44Å; I338-A342 PolarHBondContact O-N 3.37Å; E339-A342 PolarHBondContact O-N 3.19Å; A342-S346 VanDerWaalsContact O-CB 3.29Å; A342-S346 WeakPolarHBondContact O-CB 3.25Å; A342-S346 PolarHBondContact O-N 3.4Å
343S97.6Very high93.6Very high49 Ų4956.8 Ų56.834%0.34327%0.267SS..Hα-helixtrans-63.2-45.5173.8-174.10000112.2E339 E340 Y341 L345 S346 N347E339-S343 PolarHBondContact O-N 2.98Å; E340-S343 WeakPolarHBondContact O-CB 3.36Å; E340-S343 PolarHBondContact O-N 3.46Å; Y341-S343 VanDerWaalsContact C-N 3.31Å; Y341-S343 PolarHBondContact O-N 3.19Å; S343-L345 PolarHBondContact O-N 3.15Å; S343-S346 PolarHBondContact O-N 3.39Å; S343-N347 VanDerWaalsContact O-CG 3.3Å; S343-N347 PolarHBondContact O-N 2.81Å; S343-N347 PolarHBondContact O-ND2 3.06Å
344W97.8Very high93.4Very high42 Ų4257.8 Ų57.816%0.15927%0.272CS..Hα-helixtrans-59.5-46.9176.2169.172.4000112.8L64 L67 R68 Y142 E340 Y341 N347 R348L64-W344 HydrophobicContact CD2-CZ3 4.3Å; L67-W344 HydrophobicContact CB-CH2 3.89Å; R68-W344 HydrophobicContact CB-CD2 4.35Å; R68-W344 HydrophobicContact CB-CE3 4.49Å; R68-W344 HydrophobicContact CB-CH2 3.99Å; R68-W344 HydrophobicContact CB-CZ2 3.81Å; R68-W344 HydrophobicContact CB-CZ3 4.32Å; R68-W344 HydrophobicContact CG-CD2 4.24Å; R68-W344 HydrophobicContact CG-CZ2 4.16Å; Y142-W344 AromaticContact CD2-CH2 3.68Å; Y142-W344 HydrophobicContact CD2-CH2 3.68Å; Y142-W344 HydrophobicContact CD2-CZ2 4.34Å; Y142-W344 HydrophobicContact CD2-CZ3 4.43Å; Y142-W344 AromaticContact CE2-CH2 3.89Å; Y142-W344 HydrophobicContact CE2-CH2 3.89Å; Y142-W344 HydrophobicContact CE2-CZ2 4.18Å; E340-W344 PolarHBondContact O-N 2.97Å; Y341-W344 HydrophobicContact CD1-CE3 4.03Å; Y341-W344 PolarHBondContact O-N 2.74Å; W344-N347 PolarHBondContact O-N 3.2Å; W344-R348 WeakPolarHBondContact O-CG 3.4Å; W344-R348 PolarHBondContact O-N 3.29Å
345L97.8Very high93.2Very high2 Ų259.4 Ų59.41%0.0128%0.276CS..Hα-helixtrans-65.3-41.5177.1-77.4169.9000112L11 L64 L141 Y142 Y341 S343 N347 R348 L349L11-L345 HydrophobicContact CD1-CD1 3.91Å; L64-L345 HydrophobicContact CD2-CD1 3.71Å; L64-L345 HydrophobicContact CD2-CG 4.46Å; L141-L345 HydrophobicContact CB-CD1 3.76Å; L141-L345 HydrophobicContact CB-CD2 4.44Å; L141-L345 HydrophobicContact CD1-CD1 3.76Å; L141-L345 HydrophobicContact CG-CD1 4.44Å; Y142-L345 HydrophobicContact CD2-CD2 4.15Å; Y341-L345 PolarHBondContact O-N 3Å; S343-L345 PolarHBondContact O-N 3.15Å; L345-N347 PolarHBondContact O-N 3.43Å; L345-R348 WeakPolarHBondContact O-CB 3.28Å; L345-R348 PolarHBondContact O-N 3.11Å; L345-R348 VanDerWaalsContact O-N 3.13Å; L345-L349 PolarHBondContact O-N 2.99Å; L345-L349 VanDerWaalsContact O-N 3.14Å
346S97.1Very high93.1Very high2 Ų261.3 Ų61.31%0.01429%0.286CS..Hα-helixtrans-56.7-48.2175.6176.60000111.8Y3 L4 A342 S343 R348 L349 Q350Y3-S346 WeakPolarHBondContact CB-OG 3.24Å; L4-S346 VanDerWaalsContact CA-OG 3.31Å; L4-S346 WeakPolarHBondContact CA-OG 3.48Å; L4-S346 PolarHBondContact N-OG 2.95Å; A342-S346 VanDerWaalsContact O-CB 3.29Å; A342-S346 WeakPolarHBondContact O-CB 3.25Å; A342-S346 PolarHBondContact O-N 3.4Å; S343-S346 PolarHBondContact O-N 3.39Å; S346-R348 PolarHBondContact O-N 2.92Å; S346-L349 PolarHBondContact O-N 2.72Å; S346-Q350 PolarHBondContact O-N 3.32Å; S346-Q350 VanDerWaalsContact O-N 3.12Å
347N96.4Very high92.8Very high79 Ų7955.1 Ų55.142%0.42226%0.257SS..Hα-helixtrans-60.5-33.8177.6-69.6-29.7000112.4S343 W344 L345 Q350 I351S343-N347 VanDerWaalsContact O-CG 3.3Å; S343-N347 PolarHBondContact O-N 2.81Å; S343-N347 PolarHBondContact O-ND2 3.06Å; W344-N347 PolarHBondContact O-N 3.2Å; L345-N347 PolarHBondContact O-N 3.43Å; N347-Q350 PolarHBondContact O-N 3.33Å; N347-I351 WeakPolarHBondContact O-CD1 3.41Å; N347-I351 WeakPolarHBondContact O-CG1 3.21Å
348R94.3Very high92.5Very high41 Ų4154.7 Ų54.716%0.15525%0.254CS..Hα-helixtrans-66.8-38.2174.6-68.8-177.768.380.8-2.4112.6N71 Y142 Y146 W344 L345 S346 Q350N71-R348 PolarHBondContact OD1-NH1 3.35Å; N71-R348 PolarHBondContact OD1-NH2 3.37Å; Y142-R348 VanDerWaalsContact CE2-CZ 3.48Å; Y142-R348 VanDerWaalsContact CE2-NE 3.35Å; Y142-R348 PolarHBondContact OH-NH2 3.38Å; Y146-R348 PolarHBondContact OH-NH2 3.34Å; W344-R348 WeakPolarHBondContact O-CG 3.4Å; W344-R348 PolarHBondContact O-N 3.29Å; L345-R348 WeakPolarHBondContact O-CB 3.28Å; L345-R348 PolarHBondContact O-N 3.11Å; L345-R348 VanDerWaalsContact O-N 3.13Å; S346-R348 PolarHBondContact O-N 2.92Å; R348-Q350 VanDerWaalsContact C-N 3.32Å
349L92.7Very high92.1Very high7 Ų758.3 Ų58.34%0.03727%0.271CS..Hα-helixtrans-70.6-29.4178.9-63.5176.6000112.3Y3 L144 F183 L345 S346Y3-L349 HydrophobicContact CD1-CB 3.82Å; Y3-L349 HydrophobicContact CD1-CD1 4.12Å; Y3-L349 HydrophobicContact CE1-CB 4.23Å; Y3-L349 HydrophobicContact CG-CB 4.13Å; L144-L349 HydrophobicContact CB-CD2 3.86Å; L144-L349 HydrophobicContact CD1-CD1 4.08Å; L144-L349 HydrophobicContact CD1-CD2 4.35Å; F183-L349 HydrophobicContact CE2-CD1 4.19Å; L345-L349 PolarHBondContact O-N 2.99Å; L345-L349 VanDerWaalsContact O-N 3.14Å; S346-L349 PolarHBondContact O-N 2.72Å
350Q87.9Confident91.7Very high105 Ų10560.7 Ų60.749%0.49128%0.282SS..Hα-helixtrans-72.9-19.9178.6-73.2-179.66.800115Y3 S346 N347 R348 R352Y3-Q350 HydrophobicContact CD2-CG 3.54Å; Y3-Q350 HydrophobicContact CE2-CG 4.17Å; Y3-Q350 HydrophobicContact CG-CG 4.31Å; S346-Q350 PolarHBondContact O-N 3.32Å; S346-Q350 VanDerWaalsContact O-N 3.12Å; N347-Q350 PolarHBondContact O-N 3.33Å; R348-Q350 VanDerWaalsContact C-N 3.32Å; Q350-R352 PolarHBondContact O-N 3.36Å
351I76Confident91.2Very high149 Ų14957.3 Ų57.376%0.76427%0.266SS*.THydrogen-bonded Turntrans-784.3-178.1-65.2164.5000111.5N347N347-I351 WeakPolarHBondContact O-CD1 3.41Å; N347-I351 WeakPolarHBondContact O-CG1 3.21Å
352R60.6Low90.6Very high195 Ų19561 Ų6174%0.73629%0.285SS*.  trans-99.40175.1-59.5-162131.8-161.96.9111.8Q145 Q350Q145-R352 VanDerWaalsContact C-NH1 3.25Å; Q145-R352 VanDerWaalsContact CB-NE 3.34Å; Q145-R352 PolarHBondContact O-NH1 3.21Å; Q145-R352 PolarHBondContact O-NH2 3.4Å; Q350-R352 PolarHBondContact O-N 3.36Å

Retrieved 352 of 352 residues in 411.7 ms (Link to these results)

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