A0A077ZMB0_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 202 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
1M94.6Very high97.9Very high36 Ų3626 Ų2618%0.17713%0.13CC..  0-49.10-83.8-51.7103.400114.8I3 A4 I5 I98 M102 M136 F161 I164 M165M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 2.98Å; M1-I3 VanDerWaalsContact O-N 3.14Å; M1-A4 HydrophobicContact CE-CB 4.39Å; M1-A4 WeakPolarHBondContact O-CA 3.14Å; M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.44Å; M1-A4 PolarHBondContact O-N 2.8Å; M1-A4 HydrophobicContact SD-CB 4.42Å; M1-I5 PolarHBondContact O-N 3.23Å; M1-I5 VanDerWaalsContact O-N 3.11Å; M1-I98 HydrophobicContact CE-CG2 4.41Å; M1-M102 HydrophobicContact CE-CE 3Å; M1-M102 HydrophobicContact CE-SD 4.41Å; M1-M136 HydrophobicContact CE-CG 4.44Å; M1-M136 HydrophobicContact CE-SD 3.72Å; M1-F161 HydrophobicContact CE-CD1 4.34Å; M1-F161 HydrophobicContact CG-CB 4.48Å; M1-F161 HydrophobicContact SD-CB 3.54Å; M1-F161 VanDerWaalsContact SD-CB 3.54Å; M1-F161 HydrophobicContact SD-CD1 3.39Å; M1-F161 WeakPolarHBondContact SD-CD1 3.45Å; M1-F161 HydrophobicContact SD-CD2 4.38Å; M1-F161 HydrophobicContact SD-CE1 4.15Å; M1-F161 HydrophobicContact SD-CG 3.53Å; M1-F161 VanDerWaalsContact SD-CG 3.53Å; M1-I164 HydrophobicContact CG-CB 4.03Å; M1-I164 HydrophobicContact CG-CG2 3.68Å; M1-I164 HydrophobicContact SD-CB 4.48Å; M1-I164 HydrophobicContact SD-CD1 4.15Å; M1-I164 HydrophobicContact SD-CG2 4.41Å; M1-M165 HydrophobicContact CB-CG 3.33Å; M1-M165 HydrophobicContact CB-SD 3.76Å; M1-M165 HydrophobicContact CG-CG 4.02Å
2R96.7Very high97.9Very high36 Ų3628.8 Ų28.814%0.13614%0.143CC..Hα-helixtrans-51.6-39.1-176.6-66.3177.5-75.5138.4-7.8115.5Q6 M165 Q171 D174 P175 Y176R2-Q6 PolarHBondContact O-N 3.17Å; R2-M165 HydrophobicContact CG-CE 3.51Å; R2-M165 HydrophobicContact CG-SD 3.63Å; R2-Q171 WeakPolarHBondContact CD-O 3.25Å; R2-D174 VanDerWaalsContact CZ-O 3.28Å; R2-D174 PolarHBondContact NH1-O 3.26Å; R2-D174 PolarHBondContact NH2-O 3.21Å; R2-P175 PolarHBondContact NH2-O 3.21Å; R2-Y176 HydrophobicContact CB-CE1 3.91Å; R2-Y176 WeakPolarHBondContact CB-OH 3.43Å; R2-Y176 VanDerWaalsContact NH1-CE2 3.32Å; R2-Y176 VanDerWaalsContact NH1-CZ 3.34Å
3I97.2Very high98Very high45 Ų4537.5 Ų37.523%0.23118%0.183CC..Hα-helixtrans-63.8-44.6173.8-56.9179.7000110.8M1 I5 Q6 C7 I41 I98 Y176 W178M1-I3 VanDerWaalsContact C-N 3.28Å; M1-I3 PolarHBondContact O-N 2.98Å; M1-I3 VanDerWaalsContact O-N 3.14Å; I3-I5 VanDerWaalsContact C-N 3.33Å; I3-I5 PolarHBondContact O-N 3.49Å; I3-Q6 PolarHBondContact O-N 3.35Å; I3-C7 PolarHBondContact O-N 3.37Å; I3-C7 PolarHBondContact O-SG 2.94Å; I3-I41 HydrophobicContact CG1-CD1 4.39Å; I3-I41 HydrophobicContact CG2-CD1 4.46Å; I3-I41 HydrophobicContact CG2-CG1 4.19Å; I3-I98 HydrophobicContact CB-CD1 4.3Å; I3-I98 HydrophobicContact CG2-CD1 3.87Å; I3-Y176 HydrophobicContact CD1-CE1 4.45Å; I3-Y176 HydrophobicContact CG1-CD1 4.24Å; I3-Y176 HydrophobicContact CG1-CE1 3.71Å; I3-W178 HydrophobicContact CD1-CH2 3.89Å; I3-W178 HydrophobicContact CD1-CZ3 3.89Å; I3-W178 HydrophobicContact CG1-CH2 4.31Å
4A98Very high98Very high1 Ų135.9 Ų35.91%0.00818%0.176CC..Hα-helixtrans-60.1-41.1-179.600000112.5M1 C7 V8 I98 F161M1-A4 HydrophobicContact CE-CB 4.39Å; M1-A4 WeakPolarHBondContact O-CA 3.14Å; M1-A4 VanDerWaalsContact O-CB 3.23Å; M1-A4 WeakPolarHBondContact O-CB 3.44Å; M1-A4 PolarHBondContact O-N 2.8Å; M1-A4 HydrophobicContact SD-CB 4.42Å; A4-C7 PolarHBondContact O-N 3.02Å; A4-V8 WeakPolarHBondContact O-CG2 3.44Å; A4-V8 PolarHBondContact O-N 3.48Å; A4-I98 HydrophobicContact CB-CB 4.35Å; A4-I98 HydrophobicContact CB-CD1 3.8Å; A4-I98 HydrophobicContact CB-CG1 3.7Å; A4-I98 HydrophobicContact CB-CG2 3.76Å; A4-F161 HydrophobicContact CB-CD2 3.82Å; A4-F161 HydrophobicContact CB-CE2 3.7Å; A4-F161 HydrophobicContact CB-CG 4.49Å; A4-F161 HydrophobicContact CB-CZ 4.28Å
5I98.5Very high98.1Very high7 Ų733.7 Ų33.74%0.03617%0.165CC..Hα-helixtrans-58.1-54.3174.6-66.6171000110.1M1 I3 C7 V8 E9 I158 F161 E162 M165M1-I5 PolarHBondContact O-N 3.23Å; M1-I5 VanDerWaalsContact O-N 3.11Å; I3-I5 VanDerWaalsContact C-N 3.33Å; I3-I5 PolarHBondContact O-N 3.49Å; I5-C7 VanDerWaalsContact C-N 3.27Å; I5-C7 PolarHBondContact O-N 3.02Å; I5-V8 PolarHBondContact O-N 3.4Å; I5-E9 HydrophobicContact CG2-CG 4.41Å; I5-E9 WeakPolarHBondContact O-CG 3.24Å; I5-E9 PolarHBondContact O-N 3.47Å; I5-I158 HydrophobicContact CG2-CG2 4.05Å; I5-F161 HydrophobicContact CD1-CB 4.18Å; I5-F161 HydrophobicContact CG1-CB 3.7Å; I5-F161 HydrophobicContact CG1-CD2 4.23Å; I5-F161 HydrophobicContact CG1-CG 4.49Å; I5-E162 HydrophobicContact CD1-CG 3.93Å; I5-M165 HydrophobicContact CD1-SD 3.72Å
6Q98.3Very high98Very high39 Ų3937.1 Ų37.118%0.18219%0.193CC..Hα-helixtrans-61.4-34.8179.7-69.2-172.155.100112.8R2 I3 E9 A10 R39 I41 Y176R2-Q6 PolarHBondContact O-N 3.17Å; I3-Q6 PolarHBondContact O-N 3.35Å; Q6-E9 WeakPolarHBondContact CA-OE2 3.35Å; Q6-E9 PolarHBondContact O-N 3.17Å; Q6-A10 WeakPolarHBondContact O-CB 3.33Å; Q6-A10 PolarHBondContact O-N 2.97Å; Q6-R39 PolarHBondContact NE2-O 3.27Å; Q6-I41 HydrophobicContact CB-CB 4.11Å; Q6-I41 HydrophobicContact CB-CG1 4.16Å; Q6-Y176 PolarHBondContact NE2-OH 2.76Å
7C98.6Very high98Very high5 Ų541.9 Ų41.93%0.03422%0.218CC..Hα-helixtrans-64.4-42.9173.7-68.40000112.2I3 A4 I5 A10 V11 L29 V94I3-C7 PolarHBondContact O-N 3.37Å; I3-C7 PolarHBondContact O-SG 2.94Å; A4-C7 PolarHBondContact O-N 3.02Å; I5-C7 VanDerWaalsContact C-N 3.27Å; I5-C7 PolarHBondContact O-N 3.02Å; C7-A10 PolarHBondContact O-N 3.07Å; C7-V11 WeakPolarHBondContact O-CB 3.43Å; C7-V11 VanDerWaalsContact O-CG2 3.26Å; C7-V11 WeakPolarHBondContact O-CG2 3.46Å; C7-V11 PolarHBondContact O-N 3.31Å; C7-L29 VanDerWaalsContact SG-CD1 3.6Å; C7-V94 HydrophobicContact CB-CG1 3.78Å; C7-V94 HydrophobicContact CB-CG2 4.19Å
8V98.8Very high98Very high1 Ų139.8 Ų39.81%0.00621%0.208CC..Hα-helixtrans-65.9-41177175.70000110.9A4 I5 V11 E12 L91 V94 Y154 I157 I158 F161A4-V8 WeakPolarHBondContact O-CG2 3.44Å; A4-V8 PolarHBondContact O-N 3.48Å; I5-V8 PolarHBondContact O-N 3.4Å; V8-V11 PolarHBondContact O-N 3.07Å; V8-E12 WeakPolarHBondContact O-CB 3.44Å; V8-E12 PolarHBondContact O-N 3.24Å; V8-L91 HydrophobicContact CG1-CD2 4.43Å; V8-L91 HydrophobicContact CG2-CD2 4.44Å; V8-V94 HydrophobicContact CG2-CG1 4.21Å; V8-Y154 HydrophobicContact CG1-CD1 4.25Å; V8-I157 HydrophobicContact CG1-CB 4.46Å; V8-I157 HydrophobicContact CG1-CG2 4.41Å; V8-I157 HydrophobicContact CG2-CG2 3.94Å; V8-I158 HydrophobicContact CB-CG1 4.15Å; V8-I158 HydrophobicContact CG1-CD1 4.09Å; V8-I158 HydrophobicContact CG1-CG1 3.81Å; V8-F161 HydrophobicContact CG2-CE2 3.85Å
9E98.6Very high98Very high91 Ų9142.5 Ų42.543%0.42522%0.216SC..Hα-helixtrans-61-47.3175.4-69173.3145.400111.6I5 Q6 V11 E12 E13 I158I5-E9 HydrophobicContact CG2-CG 4.41Å; I5-E9 WeakPolarHBondContact O-CG 3.24Å; I5-E9 PolarHBondContact O-N 3.47Å; Q6-E9 WeakPolarHBondContact CA-OE2 3.35Å; Q6-E9 PolarHBondContact O-N 3.17Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 3.27Å; E9-E12 WeakPolarHBondContact O-CB 3.28Å; E9-E12 PolarHBondContact O-N 3.48Å; E9-E13 PolarHBondContact O-N 3.06Å; E9-I158 HydrophobicContact CG-CD1 3.73Å
10A98.6Very high98.1Very high21 Ų2140.5 Ų40.517%0.17421%0.206CC..Hα-helixtrans-61.5-40.5177.200000112Q6 C7 E13 V14 L43Q6-A10 WeakPolarHBondContact O-CB 3.33Å; Q6-A10 PolarHBondContact O-N 2.97Å; C7-A10 PolarHBondContact O-N 3.07Å; A10-E13 PolarHBondContact O-N 3.18Å; A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 2.79Å; A10-L43 HydrophobicContact CB-CB 4.18Å; A10-L43 HydrophobicContact CB-CD2 4.44Å
11V98.7Very high98.1Very high4 Ų438.6 Ų38.62%0.02420%0.196CC..Hα-helixtrans-65.7-42.7175.1170.10000111.6C7 V8 E9 E13 V14 H15 I24 D90 L91 V94 Y154C7-V11 WeakPolarHBondContact O-CB 3.43Å; C7-V11 VanDerWaalsContact O-CG2 3.26Å; C7-V11 WeakPolarHBondContact O-CG2 3.46Å; C7-V11 PolarHBondContact O-N 3.31Å; V8-V11 PolarHBondContact O-N 3.07Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 3.27Å; V11-E13 VanDerWaalsContact C-N 3.28Å; V11-E13 PolarHBondContact O-N 3.45Å; V11-V14 PolarHBondContact O-N 2.97Å; V11-H15 WeakPolarHBondContact CG1-CE1 3.29Å; V11-H15 WeakPolarHBondContact O-CB 3.35Å; V11-H15 PolarHBondContact O-CD2 2.94Å; V11-H15 PolarHBondContact O-N 3.18Å; V11-I24 HydrophobicContact CG2-CD1 3.26Å; V11-D90 HydrophobicContact CG1-CB 4.1Å; V11-L91 HydrophobicContact CG1-CD2 3.96Å; V11-L91 HydrophobicContact CG1-CG 4.39Å; V11-V94 HydrophobicContact CG2-CG2 3.76Å; V11-Y154 HydrophobicContact CG1-CE1 4.45Å
12E98.7Very high98.3Very high60 Ų6039 Ų3928%0.2820%0.196SC..Hα-helixtrans-58.1-42.3174.2-178.4170.3-155.900110.9V8 E9 H15 S16 Y154V8-E12 WeakPolarHBondContact O-CB 3.44Å; V8-E12 PolarHBondContact O-N 3.24Å; E9-E12 WeakPolarHBondContact O-CB 3.28Å; E9-E12 PolarHBondContact O-N 3.48Å; E12-H15 PolarHBondContact O-N 3.1Å; E12-S16 WeakPolarHBondContact O-CB 3.38Å; E12-S16 PolarHBondContact O-N 3.46Å; E12-Y154 HydrophobicContact CB-CD1 3.83Å; E12-Y154 HydrophobicContact CB-CD2 4.11Å; E12-Y154 HydrophobicContact CB-CE1 4.22Å; E12-Y154 HydrophobicContact CB-CE2 4.47Å; E12-Y154 HydrophobicContact CB-CG 3.79Å; E12-Y154 HydrophobicContact CG-CD1 4.3Å; E12-Y154 HydrophobicContact CG-CD2 3.64Å; E12-Y154 HydrophobicContact CG-CE2 4.05Å; E12-Y154 HydrophobicContact CG-CG 3.79Å; E12-Y154 WeakPolarHBondContact OE1-CD2 3.34Å; E12-Y154 WeakPolarHBondContact OE2-CB 3.48Å
13E98.5Very high98.4Very high142 Ų14237.9 Ų37.966%0.66419%0.192SC*.Hα-helixtrans-62.2-48.8177.4-170.5175.4175.100111.9E9 A10 V11 H15 S16 I17E9-E13 PolarHBondContact O-N 3.06Å; A10-E13 PolarHBondContact O-N 3.18Å; V11-E13 VanDerWaalsContact C-N 3.28Å; V11-E13 PolarHBondContact O-N 3.45Å; E13-H15 VanDerWaalsContact C-N 3.29Å; E13-H15 PolarHBondContact O-N 3.36Å; E13-S16 WeakPolarHBondContact O-CB 3.48Å; E13-S16 PolarHBondContact O-N 2.7Å; E13-S16 VanDerWaalsContact O-N 3.16Å; E13-S16 PolarHBondContact O-OG 3.14Å; E13-I17 PolarHBondContact O-N 2.99Å
14V98.6Very high98.4Very high14 Ų1435.9 Ų35.99%0.08518%0.182CC..Hα-helixtrans-58.7-42.9175.3173.90000111.3A10 V11 S16 I17 Y19 L43 F46A10-V14 WeakPolarHBondContact O-CG2 3.5Å; A10-V14 PolarHBondContact O-N 2.79Å; V11-V14 PolarHBondContact O-N 2.97Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.44Å; V14-I17 WeakPolarHBondContact O-CG1 3.44Å; V14-Y19 CarbonylContact C-O 3.41Å; V14-Y19 PolarHBondContact O-N 3.08Å; V14-L43 HydrophobicContact CG2-CD2 3.96Å; V14-F46 HydrophobicContact CG2-CE1 3.78Å
15H98.7Very high98.4Very high3 Ų337.5 Ų37.51%0.01419%0.189CC..Hα-helixtrans-68.3-34178.9-70.1175.6000112.4V11 E12 E13 I17 G18 Y19 Y52 R87 D90 Y154V11-H15 WeakPolarHBondContact CG1-CE1 3.29Å; V11-H15 WeakPolarHBondContact O-CB 3.35Å; V11-H15 PolarHBondContact O-CD2 2.94Å; V11-H15 PolarHBondContact O-N 3.18Å; E12-H15 PolarHBondContact O-N 3.1Å; E13-H15 VanDerWaalsContact C-N 3.29Å; E13-H15 PolarHBondContact O-N 3.36Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.3Å; H15-G18 PolarHBondContact O-N 3.33Å; H15-Y19 WeakPolarHBondContact CA-O 3.48Å; H15-Y19 PolarHBondContact CD2-O 3.39Å; H15-Y52 WeakPolarHBondContact O-CE1 3.34Å; H15-Y52 PolarHBondContact O-OH 3.32Å; H15-R87 HydrophobicContact CB-CG 4.43Å; H15-R87 PolarHBondContact CE1-O 3.11Å; H15-R87 VanDerWaalsContact CE1-O 3.25Å; H15-D90 IonicContact CD2-OD2 3.97Å; H15-D90 IonicContact NE2-OD2 3.05Å; H15-D90 PolarHBondContact NE2-OD2 3.45Å; H15-Y154 WeakPolarHBondContact CB-OH 3.37Å; H15-Y154 AromaticContact ND1-CE1 3.69Å; H15-Y154 AromaticContact ND1-CZ 3.59Å; H15-Y154 PolarHBondContact ND1-OH 3.47Å
16S97.8Very high98.4Very high88 Ų8838.8 Ų38.862%0.61520%0.198SC*.Hα-helixtrans-63.2-31.8-179.180.20000112.5E12 E13 V14 G18E12-S16 WeakPolarHBondContact O-CB 3.38Å; E12-S16 PolarHBondContact O-N 3.46Å; E13-S16 WeakPolarHBondContact O-CB 3.48Å; E13-S16 PolarHBondContact O-N 2.7Å; E13-S16 VanDerWaalsContact O-N 3.16Å; E13-S16 PolarHBondContact O-OG 3.14Å; V14-S16 VanDerWaalsContact C-N 3.34Å; V14-S16 PolarHBondContact O-N 3.44Å; S16-G18 VanDerWaalsContact C-N 3.28Å; S16-G18 PolarHBondContact O-N 3.15Å
17I97.4Very high98.3Very high119 Ų11942.8 Ų42.861%0.6122%0.22SC*.THydrogen-bonded Turntrans-87.65.3175.365.1166.3000113.1E13 V14 H15 Y19E13-I17 PolarHBondContact O-N 2.99Å; V14-I17 WeakPolarHBondContact O-CG1 3.44Å; H15-I17 VanDerWaalsContact C-N 3.26Å; H15-I17 PolarHBondContact O-N 3.3Å; I17-Y19 HydrophobicContact CD1-CD2 4.46Å; I17-Y19 HydrophobicContact CG1-CD2 4.32Å
18G98.1Very high98.3Very high4 Ų443.2 Ų43.24%0.04122%0.222CC..THydrogen-bonded Turntrans87.317.9171.800000115.5H15 S16 R51 Y52H15-G18 PolarHBondContact O-N 3.33Å; S16-G18 VanDerWaalsContact C-N 3.28Å; S16-G18 PolarHBondContact O-N 3.15Å; G18-R51 CarbonylContact O-C 3.56Å; G18-R51 VanDerWaalsContact O-CA 3.3Å; G18-R51 WeakPolarHBondContact O-CA 3.43Å; G18-R51 WeakPolarHBondContact O-CG 3.41Å; G18-Y52 VanDerWaalsContact CA-CE1 3.49Å; G18-Y52 WeakPolarHBondContact O-CD1 3.43Å; G18-Y52 PolarHBondContact O-N 3.38Å
19Y98.6Very high98.2Very high92 Ų9244.8 Ų44.836%0.36123%0.231SC..EExtended strand (participates in β ladder)trans-112.9155.9177.6-77-103.7000111.7V14 H15 I17 A49 R50 R51 Y52V14-Y19 CarbonylContact C-O 3.41Å; V14-Y19 PolarHBondContact O-N 3.08Å; H15-Y19 WeakPolarHBondContact CA-O 3.48Å; H15-Y19 PolarHBondContact CD2-O 3.39Å; I17-Y19 HydrophobicContact CD1-CD2 4.46Å; I17-Y19 HydrophobicContact CG1-CD2 4.32Å; Y19-A49 HydrophobicContact CD1-CB 4.36Å; Y19-R50 CarbonylContact C-O 3.49Å; Y19-R50 WeakPolarHBondContact CA-O 3.45Å; Y19-R51 HydrophobicContact CD1-CB 4.13Å; Y19-R51 HydrophobicContact CD2-CG 4.46Å; Y19-R51 HydrophobicContact CE1-CB 3.8Å; Y19-R51 HydrophobicContact CE2-CB 4.19Å; Y19-R51 HydrophobicContact CE2-CG 4.08Å; Y19-R51 HydrophobicContact CG-CB 4.49Å; Y19-Y52 WeakPolarHBondContact O-CE1 3.38Å
20L98.6Very high98.1Very high2 Ų242 Ų421%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-108146.3164.2-56.3175000107.6R22 A49 R50 Y52 A85 R87 D90L20-R22 HydrophobicContact CB-CG 3.74Å; L20-A49 CarbonylContact O-C 3.59Å; L20-A49 WeakPolarHBondContact O-CA 3.48Å; L20-A49 WeakPolarHBondContact O-CB 3.37Å; L20-R50 PolarHBondContact N-O 3.21Å; L20-R50 PolarHBondContact O-N 3Å; L20-Y52 HydrophobicContact CD2-CD1 3.69Å; L20-Y52 HydrophobicContact CD2-CE1 4.25Å; L20-Y52 HydrophobicContact CD2-CG 4.1Å; L20-Y52 HydrophobicContact CG-CD1 3.81Å; L20-Y52 HydrophobicContact CG-CG 4.13Å; L20-A85 WeakPolarHBondContact CD1-O 3.41Å; L20-R87 HydrophobicContact CD2-CB 4.26Å; L20-R87 HydrophobicContact CD2-CG 3.66Å; L20-D90 WeakPolarHBondContact CA-OD2 3.33Å
21H98.7Very high97.9Very high1 Ų143.6 Ų43.61%0.00523%0.228CC..  trans-76.5-52.4175.9-167.5-89.3000111.5D23 I24 L44 D45 F46 L48 A49 D90H21-D23 VanDerWaalsContact C-N 3.26Å; H21-D23 PolarHBondContact CE1-O 2.77Å; H21-D23 VanDerWaalsContact ND1-C 3.32Å; H21-D23 PolarHBondContact ND1-N 3.31Å; H21-D23 PolarHBondContact ND1-O 3.2Å; H21-D23 PolarHBondContact O-N 3.24Å; H21-I24 HydrophobicContact CB-CD1 4.06Å; H21-I24 HydrophobicContact CB-CG1 3.77Å; H21-I24 WeakPolarHBondContact ND1-CG1 3.29Å; H21-I24 PolarHBondContact ND1-N 3Å; H21-L44 PolarHBondContact CE1-O 3.37Å; H21-L44 PolarHBondContact NE2-O 3.19Å; H21-D45 PolarHBondContact CE1-O 2.95Å; H21-D45 PolarHBondContact NE2-O 3.43Å; H21-F46 AromaticContact CD2-CD1 3.74Å; H21-F46 AromaticContact CD2-CE1 3.77Å; H21-L48 CarbonylContact O-C 3.56Å; H21-A49 PolarHBondContact O-N 2.91Å; H21-D90 PolarHBondContact N-OD2 3.41Å
22R98.4Very high97.5Very high44 Ų4447 Ų4717%0.16625%0.246CC..  trans68.43.2178.3-49.1-167.9-62.4152.32.6117.4L20 L48 D90L20-R22 HydrophobicContact CB-CG 3.74Å; R22-L48 PolarHBondContact NE-O 3.21Å; R22-L48 PolarHBondContact NH2-O 3.29Å; R22-D90 WeakPolarHBondContact CA-OD1 3.36Å; R22-D90 PolarHBondContact N-OD1 3.35Å
23D98.5Very high97.1Very high12 Ų1251 Ų516%0.06427%0.274CS..  trans-146.549.8172.5-16238.2000112.2H21 K25 N28 L48 G70 T71H21-D23 VanDerWaalsContact C-N 3.26Å; H21-D23 PolarHBondContact CE1-O 2.77Å; H21-D23 VanDerWaalsContact ND1-C 3.32Å; H21-D23 PolarHBondContact ND1-N 3.31Å; H21-D23 PolarHBondContact ND1-O 3.2Å; H21-D23 PolarHBondContact O-N 3.24Å; D23-K25 IonicContact OD1-NZ 2.98Å; D23-K25 VanDerWaalsContact OD2-CE 3.26Å; D23-K25 WeakPolarHBondContact OD2-CE 3.19Å; D23-K25 IonicContact OD2-NZ 3.77Å; D23-K25 PolarHBondContact OD2-NZ 3.41Å; D23-N28 PolarHBondContact O-ND2 2.96Å; D23-N28 PolarHBondContact OD2-ND2 3.4Å; D23-L48 HydrophobicContact CB-CB 4.37Å; D23-L48 HydrophobicContact CB-CD1 3.74Å; D23-G70 VanDerWaalsContact OD1-CA 3.31Å; D23-G70 WeakPolarHBondContact OD1-CA 3.47Å; D23-T71 WeakPolarHBondContact OD1-CB 3.38Å; D23-T71 PolarHBondContact OD1-N 2.92Å; D23-T71 PolarHBondContact OD1-OG1 3.17Å
24I98.6Very high96.8Very high3 Ų348 Ų482%0.01526%0.263CS..  trans-75.7128.5175.6-57.2177.3000108.9V11 H21 L43 Y74 D90 S93 V94V11-I24 HydrophobicContact CG2-CD1 3.26Å; H21-I24 HydrophobicContact CB-CD1 4.06Å; H21-I24 HydrophobicContact CB-CG1 3.77Å; H21-I24 WeakPolarHBondContact ND1-CG1 3.29Å; H21-I24 PolarHBondContact ND1-N 3Å; I24-L43 HydrophobicContact CG1-CD1 4.36Å; I24-Y74 WeakPolarHBondContact O-CB 3.49Å; I24-D90 HydrophobicContact CD1-CB 3.66Å; I24-S93 WeakPolarHBondContact O-CB 3.32Å; I24-V94 HydrophobicContact CD1-CG2 4.13Å; I24-V94 HydrophobicContact CG2-CG2 4.02Å
25K98.1Very high96.2Very high35 Ų3552 Ų5215%0.15228%0.281CS..SBendtrans-166.3162.7-178.757.9-178.1165.5-167.20109.6D23 D27 N28 L29 T71 Y74 S97D23-K25 IonicContact OD1-NZ 2.98Å; D23-K25 VanDerWaalsContact OD2-CE 3.26Å; D23-K25 WeakPolarHBondContact OD2-CE 3.19Å; D23-K25 IonicContact OD2-NZ 3.77Å; D23-K25 PolarHBondContact OD2-NZ 3.41Å; K25-D27 VanDerWaalsContact C-N 3.26Å; K25-D27 HydrophobicContact CD-CB 4.16Å; K25-D27 HydrophobicContact CG-CB 4.19Å; K25-D27 PolarHBondContact O-N 3.16Å; K25-N28 VanDerWaalsContact CE-ND2 3.3Å; K25-N28 WeakPolarHBondContact CE-ND2 3.47Å; K25-N28 HydrophobicContact CG-CB 4.08Å; K25-N28 PolarHBondContact O-N 2.87Å; K25-L29 PolarHBondContact O-N 3.12Å; K25-T71 HydrophobicContact CD-CG2 4.29Å; K25-T71 WeakPolarHBondContact CD-OG1 3.19Å; K25-T71 PolarHBondContact NZ-OG1 3.45Å; K25-Y74 HydrophobicContact CB-CD1 4.47Å; K25-Y74 HydrophobicContact CB-CD2 3.25Å; K25-Y74 HydrophobicContact CB-CE2 3.47Å; K25-Y74 VanDerWaalsContact CB-CE2 3.47Å; K25-Y74 HydrophobicContact CB-CG 3.79Å; K25-Y74 HydrophobicContact CD-CD2 4.25Å; K25-Y74 HydrophobicContact CD-CE2 4.21Å; K25-Y74 HydrophobicContact CG-CD2 4.38Å; K25-Y74 HydrophobicContact CG-CE2 4.46Å; K25-S97 WeakPolarHBondContact CA-OG 3.38Å
26P97.4Very high95.6Very high35 Ų3553.7 Ų53.723%0.22730%0.295CS..G310 helixtrans-54.2-37.6178.1-28.437.9000114.2N28 L29 Y74 E100P26-N28 PolarHBondContact O-N 3.04Å; P26-L29 PolarHBondContact O-N 2.89Å; P26-Y74 HydrophobicContact CG-CE1 4.24Å; P26-E100 WeakPolarHBondContact CG-OE2 3.2Å
27D97.1Very high95.1Very high122 Ų12253.1 Ų53.165%0.65229%0.288SS*.G310 helixtrans-61.5-25.4177.7-53.8-99.5000113.8K25K25-D27 VanDerWaalsContact C-N 3.26Å; K25-D27 HydrophobicContact CD-CB 4.16Å; K25-D27 HydrophobicContact CG-CB 4.19Å; K25-D27 PolarHBondContact O-N 3.16Å
28N98.2Very high94.9Very high14 Ų1447.5 Ų47.58%0.07526%0.259CS..G310 helixtrans-97.911.7177.8-74.4-13.4000112.1D23 K25 P26 L44D23-N28 PolarHBondContact O-ND2 2.96Å; D23-N28 PolarHBondContact OD2-ND2 3.4Å; K25-N28 VanDerWaalsContact CE-ND2 3.3Å; K25-N28 WeakPolarHBondContact CE-ND2 3.47Å; K25-N28 HydrophobicContact CG-CB 4.08Å; K25-N28 PolarHBondContact O-N 2.87Å; P26-N28 PolarHBondContact O-N 3.04Å; N28-L44 PolarHBondContact O-N 3.27Å
29L97Very high94.7Very high35 Ų3553 Ų5318%0.18328%0.279CS..EExtended strand (participates in β ladder)trans-110.3129.6170-59.8176.6000108.7C7 K25 P26 I41 Y42 L43C7-L29 VanDerWaalsContact SG-CD1 3.6Å; K25-L29 PolarHBondContact O-N 3.12Å; P26-L29 PolarHBondContact O-N 2.89Å; L29-I41 HydrophobicContact CB-CG2 4.12Å; L29-I41 HydrophobicContact CD2-CG2 4.1Å; L29-Y42 WeakPolarHBondContact CA-O 3.47Å; L29-L43 HydrophobicContact CD2-CD1 4Å
30A96.3Very high94.5Very high31 Ų3151.7 Ų51.726%0.25628%0.28SS..EExtended strand (participates in β ladder)trans-128.4158.7178.400000112I41 Y42 L44A30-I41 CarbonylContact O-C 3.38Å; A30-I41 WeakPolarHBondContact O-CA 3.39Å; A30-Y42 PolarHBondContact N-O 3.5Å; A30-Y42 PolarHBondContact O-N 3Å; A30-L44 HydrophobicContact CB-CD1 3.51Å; A30-L44 HydrophobicContact CB-CD2 4.5Å; A30-L44 HydrophobicContact CB-CG 4.05Å
31I95Very high94.4Very high56 Ų5652.4 Ų52.429%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-111166.2171.564.2173.5000109.7E35 A38 I41 W178I31-E35 HydrophobicContact CD1-CG 4.27Å; I31-A38 HydrophobicContact CB-CB 4.09Å; I31-A38 HydrophobicContact CD1-CB 4.19Å; I31-A38 HydrophobicContact CG1-CB 4.35Å; I31-I41 HydrophobicContact CG2-CD1 3.65Å; I31-W178 HydrophobicContact CD1-CD2 4Å; I31-W178 HydrophobicContact CD1-CG 3.97Å; I31-W178 HydrophobicContact CD1-CZ2 4.49Å; I31-W178 HydrophobicContact CG2-CH2 4.07Å; I31-W178 HydrophobicContact CG2-CZ2 3.77Å
32D90Very high94.3Very high76 Ų7657.4 Ų57.441%0.40630%0.303SS..  trans-60.5156.1174.3-154.1-19.3000111.6D34 A38 Y42D32-D34 VanDerWaalsContact C-N 3.27Å; D32-D34 PolarHBondContact O-N 2.94Å; D32-A38 HydrophobicContact CB-CB 3.9Å; D32-Y42 HydrophobicContact CB-CE2 4.44Å
33V89.6Confident94.3Very high143 Ų14356.5 Ų56.587%0.86730%0.302SS*.SBendtrans-62.1-34.2-172.5179.90000112.1E35V33-E35 PolarHBondContact O-N 2.89Å
34D91.3Very high94.3Very high80 Ų8059.6 Ų59.643%0.42832%0.318SS..  trans-87.589.3176.5-18016.3000110.8D32 A36 T37 A38D32-D34 VanDerWaalsContact C-N 3.27Å; D32-D34 PolarHBondContact O-N 2.94Å; D34-A36 PolarHBondContact O-N 3.36Å; D34-A36 WeakPolarHBondContact OD1-CB 3.42Å; D34-A36 PolarHBondContact OD1-N 3.36Å; D34-T37 WeakPolarHBondContact CB-OG1 3.42Å; D34-T37 VanDerWaalsContact CG-OG1 3.26Å; D34-T37 CarbonylContact O-C 3.59Å; D34-T37 PolarHBondContact O-N 3.35Å; D34-T37 PolarHBondContact O-OG1 3.1Å; D34-T37 VanDerWaalsContact OD2-CG2 3.29Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.37Å; D34-T37 PolarHBondContact OD2-OG1 2.78Å; D34-A38 VanDerWaalsContact O-CB 3.29Å; D34-A38 WeakPolarHBondContact O-CB 3.34Å; D34-A38 PolarHBondContact O-N 3.27Å
35E86.6Confident94.2Very high98 Ų9863.8 Ų63.846%0.45834%0.34SS..THydrogen-bonded Turntrans-50.7-30.3178.2-66178.9-175.100113.3I31 V33 T37 Q179 F182I31-E35 HydrophobicContact CD1-CG 4.27Å; V33-E35 PolarHBondContact O-N 2.89Å; E35-T37 PolarHBondContact O-N 2.85Å; E35-Q179 WeakPolarHBondContact O-CG 3.44Å; E35-F182 HydrophobicContact CB-CE2 3.68Å; E35-F182 HydrophobicContact CB-CZ 3.86Å; E35-F182 WeakPolarHBondContact OE2-CZ 3.47Å
36A85.4Confident94.2Very high38 Ų3867.4 Ų67.431%0.31436%0.356SS..THydrogen-bonded Turntrans-69-23.1-179.600000113D34 F182D34-A36 PolarHBondContact O-N 3.36Å; D34-A36 WeakPolarHBondContact OD1-CB 3.42Å; D34-A36 PolarHBondContact OD1-N 3.36Å; A36-F182 HydrophobicContact CB-CB 4.01Å; A36-F182 HydrophobicContact CB-CD1 3.95Å; A36-F182 HydrophobicContact CB-CD2 4.28Å; A36-F182 HydrophobicContact CB-CG 3.82Å
37T88.7Confident94.3Very high75 Ų7568.9 Ų68.946%0.4638%0.378SS..THydrogen-bonded Turntrans-120.5-12.7-178.562.20000113.4D34 E35 R39D34-T37 WeakPolarHBondContact CB-OG1 3.42Å; D34-T37 VanDerWaalsContact CG-OG1 3.26Å; D34-T37 CarbonylContact O-C 3.59Å; D34-T37 PolarHBondContact O-N 3.35Å; D34-T37 PolarHBondContact O-OG1 3.1Å; D34-T37 VanDerWaalsContact OD2-CG2 3.29Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.37Å; D34-T37 PolarHBondContact OD2-OG1 2.78Å; E35-T37 PolarHBondContact O-N 2.85Å; T37-R39 PolarHBondContact O-N 3.21Å
38A92.4Very high94.3Very high1 Ų165.6 Ų65.61%0.00836%0.36CS..  trans-59.6117-17700000112.4I31 D32 D34 W178 Q179I31-A38 HydrophobicContact CB-CB 4.09Å; I31-A38 HydrophobicContact CD1-CB 4.19Å; I31-A38 HydrophobicContact CG1-CB 4.35Å; D32-A38 HydrophobicContact CB-CB 3.9Å; D34-A38 VanDerWaalsContact O-CB 3.29Å; D34-A38 WeakPolarHBondContact O-CB 3.34Å; D34-A38 PolarHBondContact O-N 3.27Å; A38-W178 PolarHBondContact O-NE1 3.17Å; A38-W178 VanDerWaalsContact O-NE1 3.1Å; A38-Q179 PolarHBondContact O-NE2 3.14Å
39R93.5Very high94.3Very high121 Ų12166.3 Ų66.346%0.45737%0.368SS..  trans-129.8-12.3178.3-71.6-176.516893.7-4.7114Q6 T37 Y176Q6-R39 PolarHBondContact NE2-O 3.27Å; T37-R39 PolarHBondContact O-N 3.21Å; R39-Y176 HydrophobicContact CB-CE2 4.11Å; R39-Y176 HydrophobicContact CG-CD2 4.33Å; R39-Y176 HydrophobicContact CG-CE2 4.16Å
40T95.2Very high94.3Very high64 Ų6467.3 Ų67.339%0.39337%0.369SS..  trans-94.7131.4-179.8-51.70000109.6Y42T40-Y42 HydrophobicContact CG2-CD1 4.45Å; T40-Y42 HydrophobicContact CG2-CD2 4.28Å; T40-Y42 HydrophobicContact CG2-CE1 3.97Å; T40-Y42 HydrophobicContact CG2-CE2 3.78Å
41I96.3Very high94.4Very high17 Ų1769.5 Ų69.59%0.08737%0.371CS..EExtended strand (participates in β ladder)trans-95.2124.6170-51.1-53.9000108.3I3 Q6 L29 A30 I31 W178I3-I41 HydrophobicContact CG1-CD1 4.39Å; I3-I41 HydrophobicContact CG2-CD1 4.46Å; I3-I41 HydrophobicContact CG2-CG1 4.19Å; Q6-I41 HydrophobicContact CB-CB 4.11Å; Q6-I41 HydrophobicContact CB-CG1 4.16Å; L29-I41 HydrophobicContact CB-CG2 4.12Å; L29-I41 HydrophobicContact CD2-CG2 4.1Å; A30-I41 CarbonylContact O-C 3.38Å; A30-I41 WeakPolarHBondContact O-CA 3.39Å; I31-I41 HydrophobicContact CG2-CD1 3.65Å; I41-W178 HydrophobicContact CD1-CH2 4.01Å; I41-W178 HydrophobicContact CD1-CZ2 4.32Å
42Y97.2Very high94.5Very high106 Ų10667.7 Ų67.742%0.41636%0.36SS..EExtended strand (participates in β ladder)trans-104.4130.3177.8-63.9-86.2000110.2L29 A30 D32 T40L29-Y42 WeakPolarHBondContact CA-O 3.47Å; A30-Y42 PolarHBondContact N-O 3.5Å; A30-Y42 PolarHBondContact O-N 3Å; D32-Y42 HydrophobicContact CB-CE2 4.44Å; T40-Y42 HydrophobicContact CG2-CD1 4.45Å; T40-Y42 HydrophobicContact CG2-CD2 4.28Å; T40-Y42 HydrophobicContact CG2-CE1 3.97Å; T40-Y42 HydrophobicContact CG2-CE2 3.78Å
43L98.1Very high94.9Very high24 Ų2464.9 Ų64.913%0.12635%0.346CS..EExtended strand (participates in β ladder)trans-84127.1169.6-177.861.9000109.8A10 V14 I24 L29A10-L43 HydrophobicContact CB-CB 4.18Å; A10-L43 HydrophobicContact CB-CD2 4.44Å; V14-L43 HydrophobicContact CG2-CD2 3.96Å; I24-L43 HydrophobicContact CG1-CD1 4.36Å; L29-L43 HydrophobicContact CD2-CD1 4Å
44L98Very high95.3Very high77 Ų7760 Ų6040%0.40332%0.317SS..  trans-116.6167.2-174.6-55.8-174.6000112.3H21 N28 A30H21-L44 PolarHBondContact CE1-O 3.37Å; H21-L44 PolarHBondContact NE2-O 3.19Å; N28-L44 PolarHBondContact O-N 3.27Å; A30-L44 HydrophobicContact CB-CD1 3.51Å; A30-L44 HydrophobicContact CB-CD2 4.5Å; A30-L44 HydrophobicContact CB-CG 4.05Å
45D97.7Very high95.4Very high91 Ų9163.4 Ų63.449%0.48733%0.334SS..  trans5880.2172.9-165.2-0.7000116H21 G47H21-D45 PolarHBondContact CE1-O 2.95Å; H21-D45 PolarHBondContact NE2-O 3.43Å; D45-G47 PolarHBondContact O-N 3.47Å; D45-G47 WeakPolarHBondContact OD1-CA 3.23Å; D45-G47 PolarHBondContact OD1-N 2.94Å
46F98.1Very high95.8Very high112 Ų11265.4 Ų65.449%0.49135%0.348SS..G310 helixtrans-81.515.1172.2-57.4-81.4000113.7V14 H21 L48 A49V14-F46 HydrophobicContact CG2-CE1 3.78Å; H21-F46 AromaticContact CD2-CD1 3.74Å; H21-F46 AromaticContact CD2-CE1 3.77Å; F46-L48 PolarHBondContact O-N 3.25Å; F46-A49 HydrophobicContact CB-CB 4.03Å; F46-A49 HydrophobicContact CD1-CB 4.48Å; F46-A49 WeakPolarHBondContact O-CB 3.4Å; F46-A49 PolarHBondContact O-N 2.9Å
47G97.6Very high96.2Very high66 Ų6666.1 Ų66.168%0.6836%0.358SS*.G310 helixtrans-61.6-26.2-176.900000113.8D45D45-G47 PolarHBondContact O-N 3.47Å; D45-G47 WeakPolarHBondContact OD1-CA 3.23Å; D45-G47 PolarHBondContact OD1-N 2.94Å
48L97.6Very high96.6Very high52 Ų5268.5 Ų68.527%0.27237%0.365SS..G310 helixtrans-100.63.8174.9-64.1-177.9000113.6H21 R22 D23 F46 R69H21-L48 CarbonylContact O-C 3.56Å; R22-L48 PolarHBondContact NE-O 3.21Å; R22-L48 PolarHBondContact NH2-O 3.29Å; D23-L48 HydrophobicContact CB-CB 4.37Å; D23-L48 HydrophobicContact CB-CD1 3.74Å; F46-L48 PolarHBondContact O-N 3.25Å; L48-R69 HydrophobicContact CD1-CB 4.49Å; L48-R69 HydrophobicContact CD2-CB 4.34Å
49A98.2Very high96.9Very high29 Ų2971.1 Ų71.124%0.2438%0.378CS..  trans-61.4148-176.900000112.2Y19 L20 H21 F46Y19-A49 HydrophobicContact CD1-CB 4.36Å; L20-A49 CarbonylContact O-C 3.59Å; L20-A49 WeakPolarHBondContact O-CA 3.48Å; L20-A49 WeakPolarHBondContact O-CB 3.37Å; H21-A49 PolarHBondContact O-N 2.91Å; F46-A49 HydrophobicContact CB-CB 4.03Å; F46-A49 HydrophobicContact CD1-CB 4.48Å; F46-A49 WeakPolarHBondContact O-CB 3.4Å; F46-A49 PolarHBondContact O-N 2.9Å
50R97.8Very high97.1Very high57 Ų5770.3 Ų70.322%0.21537%0.374CS..EExtended strand (participates in β ladder)trans-142.1128.2179.9178.1174.3175.472.61.5111.8Y19 L20 Y52 R63 E84Y19-R50 CarbonylContact C-O 3.49Å; Y19-R50 WeakPolarHBondContact CA-O 3.45Å; L20-R50 PolarHBondContact N-O 3.21Å; L20-R50 PolarHBondContact O-N 3Å; R50-Y52 PolarHBondContact O-N 2.77Å; R50-R63 VanDerWaalsContact NE-NH2 3.14Å; R50-R63 VanDerWaalsContact NH2-NE 3.15Å; R50-E84 IonicContact NE-OE1 3.64Å
51R97.9Very high97.1Very high76 Ų7676.3 Ų76.329%0.28740%0.395SS..EExtended strand (participates in β ladder)trans-64.1115.7171.2-165.6-174.5173.1142.69.8111.3G18 Y19 V53 T54 L55 R60G18-R51 CarbonylContact O-C 3.56Å; G18-R51 VanDerWaalsContact O-CA 3.3Å; G18-R51 WeakPolarHBondContact O-CA 3.43Å; G18-R51 WeakPolarHBondContact O-CG 3.41Å; Y19-R51 HydrophobicContact CD1-CB 4.13Å; Y19-R51 HydrophobicContact CD2-CG 4.46Å; Y19-R51 HydrophobicContact CE1-CB 3.8Å; Y19-R51 HydrophobicContact CE2-CB 4.19Å; Y19-R51 HydrophobicContact CE2-CG 4.08Å; Y19-R51 HydrophobicContact CG-CB 4.49Å; R51-V53 WeakPolarHBondContact CD-O 3.11Å; R51-V53 HydrophobicContact CG-CG2 4.22Å; R51-V53 WeakPolarHBondContact CG-O 3.16Å; R51-V53 PolarHBondContact NE-O 2.87Å; R51-T54 PolarHBondContact NH2-O 3.03Å; R51-L55 VanDerWaalsContact NH2-CA 3.34Å; R51-R60 WeakPolarHBondContact O-CD 3.45Å; R51-R60 PolarHBondContact O-NH1 3.26Å
52Y98Very high97.2Very high19 Ų1978.2 Ų78.28%0.07541%0.409CS..  trans-94.4-11.5178.674.2-86.6000113.4H15 G18 Y19 L20 R50 I59 R60 R87H15-Y52 WeakPolarHBondContact O-CE1 3.34Å; H15-Y52 PolarHBondContact O-OH 3.32Å; G18-Y52 VanDerWaalsContact CA-CE1 3.49Å; G18-Y52 WeakPolarHBondContact O-CD1 3.43Å; G18-Y52 PolarHBondContact O-N 3.38Å; Y19-Y52 WeakPolarHBondContact O-CE1 3.38Å; L20-Y52 HydrophobicContact CD2-CD1 3.69Å; L20-Y52 HydrophobicContact CD2-CE1 4.25Å; L20-Y52 HydrophobicContact CD2-CG 4.1Å; L20-Y52 HydrophobicContact CG-CD1 3.81Å; L20-Y52 HydrophobicContact CG-CG 4.13Å; R50-Y52 PolarHBondContact O-N 2.77Å; Y52-I59 HydrophobicContact CD2-CD1 3.64Å; Y52-I59 HydrophobicContact CE2-CD1 3.46Å; Y52-I59 VanDerWaalsContact CE2-CD1 3.46Å; Y52-R60 WeakPolarHBondContact O-CB 3.39Å; Y52-R60 VanDerWaalsContact O-CG 3.32Å; Y52-R60 WeakPolarHBondContact O-CG 3.49Å; Y52-R60 PolarHBondContact O-N 3.11Å; Y52-R87 HydrophobicContact CE1-CG 4.25Å; Y52-R87 HydrophobicContact CE2-CG 4.15Å
53V98Very high97.1Very high16 Ų1677.6 Ų77.610%0.09741%0.406CS..BIsolated β-bridgetrans-104.7155.2175.1-58.30000112.9R51 E58 I59R51-V53 WeakPolarHBondContact CD-O 3.11Å; R51-V53 HydrophobicContact CG-CG2 4.22Å; R51-V53 WeakPolarHBondContact CG-O 3.16Å; R51-V53 PolarHBondContact NE-O 2.87Å; V53-E58 CarbonylContact C-O 3.55Å; V53-E58 WeakPolarHBondContact CA-O 3.46Å; V53-I59 HydrophobicContact CG1-CD1 4.28Å
54T97.3Very high96.9Very high42 Ų4285.1 Ų85.126%0.25844%0.44SS..  trans-73176.6168.368.80000110.8R51 N56 G57 E58 R60R51-T54 PolarHBondContact NH2-O 3.03Å; T54-N56 PolarHBondContact O-N 3.5Å; T54-N56 PolarHBondContact OG1-N 3.03Å; T54-G57 PolarHBondContact O-N 2.91Å; T54-E58 HydrophobicContact CG2-CB 4.25Å; T54-E58 PolarHBondContact N-O 3.38Å; T54-E58 PolarHBondContact OG1-N 3.13Å; T54-R60 HydrophobicContact CG2-CG 4.05Å
55L94Very high96.6Very high151 Ų15186.8 Ų86.879%0.79146%0.458SS*.THydrogen-bonded Turntrans-60.9-24.7171.4-71.1169.9000112.8R51R51-L55 VanDerWaalsContact NH2-CA 3.34Å
56N95.2Very high96.4Very high140 Ų14083.5 Ų83.575%0.74944%0.442SS*.THydrogen-bonded Turntrans-92.25.2-180-59-15.4000113T54T54-N56 PolarHBondContact O-N 3.5Å; T54-N56 PolarHBondContact OG1-N 3.03Å
57G94.3Very high96.1Very high52 Ų5279.7 Ų79.754%0.53644%0.435SS..SBendtrans83.64.9179.800000115.4T54T54-G57 PolarHBondContact O-N 2.91Å
58E97Very high96Very high126 Ų12679.2 Ų79.259%0.58941%0.414SS*.PPolyproline II helixtrans-80.4144.1178.5-58.2175.5142.600111.5V53 T54 R60V53-E58 CarbonylContact C-O 3.55Å; V53-E58 WeakPolarHBondContact CA-O 3.46Å; T54-E58 HydrophobicContact CG2-CB 4.25Å; T54-E58 PolarHBondContact N-O 3.38Å; T54-E58 PolarHBondContact OG1-N 3.13Å; E58-R60 PolarHBondContact O-N 2.86Å
59I97.6Very high95.8Very high55 Ų5583.9 Ų83.928%0.28243%0.428SS..BIsolated β-bridgetrans-61.9127.7173.9-53-62.5000109.7Y52 V53 Y148 E149Y52-I59 HydrophobicContact CD2-CD1 3.64Å; Y52-I59 HydrophobicContact CE2-CD1 3.46Å; Y52-I59 VanDerWaalsContact CE2-CD1 3.46Å; V53-I59 HydrophobicContact CG1-CD1 4.28Å; I59-Y148 HydrophobicContact CG2-CE1 3.88Å; I59-E149 HydrophobicContact CG2-CG 4.39Å
60R97.7Very high95.6Very high104 Ų10483.6 Ų83.639%0.39243%0.428SS..PPolyproline II helixtrans-67.4141.8177.6-65.6177.685.1166.110.8109.7R51 Y52 T54 E58 Y148R51-R60 WeakPolarHBondContact O-CD 3.45Å; R51-R60 PolarHBondContact O-NH1 3.26Å; Y52-R60 WeakPolarHBondContact O-CB 3.39Å; Y52-R60 VanDerWaalsContact O-CG 3.32Å; Y52-R60 WeakPolarHBondContact O-CG 3.49Å; Y52-R60 PolarHBondContact O-N 3.11Å; T54-R60 HydrophobicContact CG2-CG 4.05Å; E58-R60 PolarHBondContact O-N 2.86Å; R60-Y148 WeakPolarHBondContact O-CE1 3.31Å; R60-Y148 PolarHBondContact O-OH 3.14Å
61K96.5Very high95.6Very high190 Ų19082.5 Ų82.583%0.82643%0.427SS*.PPolyproline II helixtrans-60.4137.6172.5-65.4-174.7180-178.10110.4R63K61-R63 PolarHBondContact O-N 3.36Å
62P96.7Very high95.6Very high58 Ų5879.7 Ų79.738%0.37742%0.419SS..PPolyproline II helixtrans-65.1135.8-179.826.3-33.9000110.9E84 Y148P62-E84 HydrophobicContact CB-CB 3.64Å; P62-E84 HydrophobicContact CB-CG 4.04Å; P62-Y148 HydrophobicContact CB-CD1 4.24Å; P62-Y148 HydrophobicContact CB-CE1 4.03Å; P62-Y148 HydrophobicContact CG-CD1 4.28Å; P62-Y148 HydrophobicContact CG-CE1 4.29Å
63R96.2Very high95.5Very high93 Ų9381 Ų8135%0.35143%0.426SS..PPolyproline II helixtrans-69.7146.8171.9-66.8172.3-68.6162.53.9110R50 K61 P66 E84R50-R63 VanDerWaalsContact NE-NH2 3.14Å; R50-R63 VanDerWaalsContact NH2-NE 3.15Å; K61-R63 PolarHBondContact O-N 3.36Å; R63-P66 HydrophobicContact CB-CB 4.25Å; R63-P66 WeakPolarHBondContact O-CD 3.38Å; R63-E84 VanDerWaalsContact CB-OE2 3.32Å; R63-E84 WeakPolarHBondContact CB-OE2 3.33Å; R63-E84 VanDerWaalsContact CG-OE2 3.25Å; R63-E84 WeakPolarHBondContact CG-OE2 3.4Å; R63-E84 IonicContact CZ-OE1 3.47Å; R63-E84 IonicContact CZ-OE2 3.63Å; R63-E84 PolarHBondContact N-OE2 3.09Å; R63-E84 IonicContact NE-OE1 3.4Å; R63-E84 PolarHBondContact NE-OE1 2.85Å; R63-E84 IonicContact NE-OE2 2.77Å; R63-E84 PolarHBondContact NE-OE2 3.01Å; R63-E84 IonicContact NH2-OE1 2.71Å; R63-E84 PolarHBondContact NH2-OE1 3.08Å; R63-E84 IonicContact NH2-OE2 3.63Å
64Q93Very high95.6Very high182 Ų18281 Ų8185%0.8543%0.425SS*.SBendtrans-69.3-35.9178.1-66.6-62.9-39.900112.9
65S91.8Very high95.6Very high112 Ų11279.1 Ų79.178%0.78341%0.414SS*.  trans-141.268.4-178.1-550000111.4G67S65-G67 PolarHBondContact O-N 3.48Å
66P93.3Very high95.8Very high21 Ų2172 Ų7214%0.13638%0.376CS..  trans-68-2417928.2-34.8000113R63 G82 K83 E84R63-P66 HydrophobicContact CB-CB 4.25Å; R63-P66 WeakPolarHBondContact O-CD 3.38Å; P66-G82 VanDerWaalsContact CD-O 3.23Å; P66-G82 WeakPolarHBondContact CD-O 3.39Å; P66-G82 VanDerWaalsContact CG-O 3.26Å; P66-G82 WeakPolarHBondContact CG-O 3.39Å; P66-K83 VanDerWaalsContact CG-C 3.44Å; P66-K83 WeakPolarHBondContact CG-O 3.28Å; P66-E84 HydrophobicContact CG-CB 4.31Å
67G93.4Very high95.9Very high33 Ų3366.5 Ų66.534%0.3435%0.348SS..  trans73.1156.2-170.500000111.8S65S65-G67 PolarHBondContact O-N 3.48Å
68F95.2Very high96Very high55 Ų5566.7 Ų66.724%0.24134%0.339CS..  trans-78.5141175.5175-120.6000111.3G70 T72 S75 A79 N80F68-G70 WeakPolarHBondContact CE1-O 3.24Å; F68-G70 VanDerWaalsContact CZ-O 3.31Å; F68-G70 WeakPolarHBondContact CZ-O 3.4Å; F68-T72 WeakPolarHBondContact CE1-OG1 3.44Å; F68-S75 VanDerWaalsContact CE2-OG 3.28Å; F68-S75 WeakPolarHBondContact CE2-OG 3.28Å; F68-S75 WeakPolarHBondContact CZ-OG 3.48Å; F68-A79 HydrophobicContact CD2-CB 4.26Å; F68-A79 WeakPolarHBondContact CD2-O 3.33Å; F68-A79 HydrophobicContact CE2-CB 4.29Å; F68-N80 WeakPolarHBondContact CE2-OD1 3.43Å; F68-N80 VanDerWaalsContact CZ-OD1 3.28Å; F68-N80 WeakPolarHBondContact CZ-OD1 3.37Å
69R92.3Very high96Very high150 Ų15061.2 Ų61.257%0.56632%0.315SS*.  trans-144.5141.6169.3-64.4-65.6-175.2-89.62.4106.8L48L48-R69 HydrophobicContact CD1-CB 4.49Å; L48-R69 HydrophobicContact CD2-CB 4.34Å
70G95.4Very high96Very high23 Ų2359.7 Ų59.724%0.23731%0.307CS..SBendtrans120.3-171.5-177.500000111.3D23 F68D23-G70 VanDerWaalsContact OD1-CA 3.31Å; D23-G70 WeakPolarHBondContact OD1-CA 3.47Å; F68-G70 WeakPolarHBondContact CE1-O 3.24Å; F68-G70 VanDerWaalsContact CZ-O 3.31Å; F68-G70 WeakPolarHBondContact CZ-O 3.4Å
71T97Very high95.9Very high34 Ų3459.5 Ų59.521%0.20931%0.309CS..  trans-98118.8-176.1-53.60000110.5D23 K25 L73 Y74 S75D23-T71 WeakPolarHBondContact OD1-CB 3.38Å; D23-T71 PolarHBondContact OD1-N 2.92Å; D23-T71 PolarHBondContact OD1-OG1 3.17Å; K25-T71 HydrophobicContact CD-CG2 4.29Å; K25-T71 WeakPolarHBondContact CD-OG1 3.19Å; K25-T71 PolarHBondContact NZ-OG1 3.45Å; T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 2.91Å; T71-L73 VanDerWaalsContact O-N 3.17Å; T71-Y74 HydrophobicContact CG2-CD2 3.61Å; T71-Y74 HydrophobicContact CG2-CE2 3.82Å; T71-Y74 PolarHBondContact O-N 3.41Å; T71-S75 WeakPolarHBondContact O-CB 3.42Å; T71-S75 PolarHBondContact O-N 2.93Å; T71-S75 PolarHBondContact O-OG 2.95Å
72T97.1Very high95.9Very high17 Ų1751.3 Ų51.310%0.10428%0.279CS..THydrogen-bonded Turntrans-56.5-35.5-171.2-54.30000113.6F68 Y74 N80 E113 I116 K120F68-T72 WeakPolarHBondContact CE1-OG1 3.44Å; T72-Y74 PolarHBondContact O-N 3.21Å; T72-N80 PolarHBondContact O-ND2 3.06Å; T72-E113 WeakPolarHBondContact CB-OE1 3.49Å; T72-E113 HydrophobicContact CG2-CG 3.78Å; T72-E113 PolarHBondContact OG1-OE1 2.91Å; T72-I116 HydrophobicContact CG2-CB 4.4Å; T72-I116 HydrophobicContact CG2-CD1 4.05Å; T72-I116 HydrophobicContact CG2-CG2 4.27Å; T72-K120 PolarHBondContact O-NZ 2.77Å
73L97.6Very high95.8Very high46 Ų4654.5 Ų54.524%0.24129%0.287CS..THydrogen-bonded Turntrans-60.1-42.7179.4-67.5177.7000112.9T71 W108 I116 K120T71-L73 VanDerWaalsContact C-N 3.26Å; T71-L73 PolarHBondContact O-N 2.91Å; T71-L73 VanDerWaalsContact O-N 3.17Å; L73-W108 PolarHBondContact O-NE1 2.96Å; L73-I116 HydrophobicContact CD2-CD1 3.99Å; L73-K120 VanDerWaalsContact C-NZ 3.33Å; L73-K120 WeakPolarHBondContact O-CE 3.38Å; L73-K120 PolarHBondContact O-NZ 2.71Å
74Y98.5Very high95.9Very high16 Ų1650.7 Ų50.76%0.06327%0.273CS..THydrogen-bonded Turntrans-102.8-13-175.1-45.2-74.9000113I24 K25 P26 T71 T72 S93 Y96 E100 L106I24-Y74 WeakPolarHBondContact O-CB 3.49Å; K25-Y74 HydrophobicContact CB-CD1 4.47Å; K25-Y74 HydrophobicContact CB-CD2 3.25Å; K25-Y74 HydrophobicContact CB-CE2 3.47Å; K25-Y74 VanDerWaalsContact CB-CE2 3.47Å; K25-Y74 HydrophobicContact CB-CG 3.79Å; K25-Y74 HydrophobicContact CD-CD2 4.25Å; K25-Y74 HydrophobicContact CD-CE2 4.21Å; K25-Y74 HydrophobicContact CG-CD2 4.38Å; K25-Y74 HydrophobicContact CG-CE2 4.46Å; P26-Y74 HydrophobicContact CG-CE1 4.24Å; T71-Y74 HydrophobicContact CG2-CD2 3.61Å; T71-Y74 HydrophobicContact CG2-CE2 3.82Å; T71-Y74 PolarHBondContact O-N 3.41Å; T72-Y74 PolarHBondContact O-N 3.21Å; Y74-S93 WeakPolarHBondContact O-CA 3.28Å; Y74-S93 VanDerWaalsContact O-CB 3.31Å; Y74-S93 WeakPolarHBondContact O-CB 3.47Å; Y74-S93 PolarHBondContact O-OG 3.16Å; Y74-Y96 WeakPolarHBondContact O-CD2 3.42Å; Y74-E100 WeakPolarHBondContact CE1-OE2 3.38Å; Y74-E100 PolarHBondContact OH-OE1 3.07Å; Y74-E100 PolarHBondContact OH-OE2 2.87Å; Y74-L106 HydrophobicContact CD1-CD1 4.19Å; Y74-L106 HydrophobicContact CE1-CD1 4.26Å
75S98Very high96.1Very high3 Ų342.6 Ų42.62%0.02124%0.237CC..SBendtrans-70.2146.4-179.9-65.50000111.9F68 T71 N80 K120F68-S75 VanDerWaalsContact CE2-OG 3.28Å; F68-S75 WeakPolarHBondContact CE2-OG 3.28Å; F68-S75 WeakPolarHBondContact CZ-OG 3.48Å; T71-S75 WeakPolarHBondContact O-CB 3.42Å; T71-S75 PolarHBondContact O-N 2.93Å; T71-S75 PolarHBondContact O-OG 2.95Å; S75-N80 WeakPolarHBondContact CB-OD1 3.4Å; S75-N80 PolarHBondContact O-ND2 3.08Å; S75-K120 PolarHBondContact O-NZ 3.47Å
76S98.1Very high96.3Very high1 Ų137.4 Ų37.41%0.00720%0.201CC..  trans-60.9162.2173.781.90000111.9T78 A79 N80 D89S76-T78 VanDerWaalsContact C-N 3.25Å; S76-T78 PolarHBondContact O-N 2.76Å; S76-T78 PolarHBondContact OG-N 3.21Å; S76-A79 PolarHBondContact O-N 3.28Å; S76-A79 PolarHBondContact OG-N 3.23Å; S76-N80 WeakPolarHBondContact O-CB 3.32Å; S76-N80 PolarHBondContact O-N 2.91Å; S76-N80 PolarHBondContact O-ND2 3.12Å; S76-D89 WeakPolarHBondContact CB-OD1 3.36Å; S76-D89 PolarHBondContact OG-OD1 3.46Å
77V97.6Very high96.6Very high26 Ų2637.1 Ų37.116%0.15820%0.197CC..Hα-helixtrans-56.9-42.1170.9170.10000111.1N80 K81 V117 K120 E121V77-N80 PolarHBondContact O-N 3.06Å; V77-K81 HydrophobicContact CG1-CD 4.06Å; V77-K81 HydrophobicContact CG1-CG 4.47Å; V77-K81 WeakPolarHBondContact O-CB 3.47Å; V77-K81 WeakPolarHBondContact O-CG 3.26Å; V77-K81 PolarHBondContact O-N 3.26Å; V77-V117 HydrophobicContact CG1-CG1 4.25Å; V77-K120 HydrophobicContact CG2-CB 3.59Å; V77-E121 HydrophobicContact CB-CG 4.23Å; V77-E121 HydrophobicContact CG1-CG 3.4Å; V77-E121 VanDerWaalsContact CG1-CG 3.4Å; V77-E121 VanDerWaalsContact CG1-OE1 3.25Å; V77-E121 WeakPolarHBondContact CG1-OE1 3.37Å; V77-E121 HydrophobicContact CG2-CG 3.76Å
78T96.8Very high96.8Very high55 Ų5536 Ų3634%0.33718%0.184SC..Hα-helixtrans-60.1-47.8180-62.30000111.4S76 K81 K83 D89S76-T78 VanDerWaalsContact C-N 3.25Å; S76-T78 PolarHBondContact O-N 2.76Å; S76-T78 PolarHBondContact OG-N 3.21Å; T78-K81 PolarHBondContact O-N 2.92Å; T78-K83 HydrophobicContact CG2-CB 3.75Å; T78-K83 HydrophobicContact CG2-CD 4.25Å; T78-K83 WeakPolarHBondContact O-CB 3.47Å; T78-K83 PolarHBondContact O-N 3.13Å; T78-D89 WeakPolarHBondContact CB-OD1 3.35Å
79A96.9Very high97Very high11 Ų1133.7 Ų33.79%0.09117%0.174CC..Hα-helixtrans-63.8-47.1177.800000111.4F68 S76 K81 G82F68-A79 HydrophobicContact CD2-CB 4.26Å; F68-A79 WeakPolarHBondContact CD2-O 3.33Å; F68-A79 HydrophobicContact CE2-CB 4.29Å; S76-A79 PolarHBondContact O-N 3.28Å; S76-A79 PolarHBondContact OG-N 3.23Å; A79-K81 PolarHBondContact O-N 3.27Å; A79-G82 WeakPolarHBondContact O-CA 3.46Å; A79-G82 PolarHBondContact O-N 3.01Å
80N96.9Very high97.3Very high23 Ų2326.8 Ų26.812%0.12315%0.148CC..Hα-helixtrans-61.4-31.1178.1-77.5-26.4000112.9F68 T72 S75 S76 V77 G82 V117F68-N80 WeakPolarHBondContact CE2-OD1 3.43Å; F68-N80 VanDerWaalsContact CZ-OD1 3.28Å; F68-N80 WeakPolarHBondContact CZ-OD1 3.37Å; T72-N80 PolarHBondContact O-ND2 3.06Å; S75-N80 WeakPolarHBondContact CB-OD1 3.4Å; S75-N80 PolarHBondContact O-ND2 3.08Å; S76-N80 WeakPolarHBondContact O-CB 3.32Å; S76-N80 PolarHBondContact O-N 2.91Å; S76-N80 PolarHBondContact O-ND2 3.12Å; V77-N80 PolarHBondContact O-N 3.06Å; N80-G82 PolarHBondContact O-N 3.25Å; N80-V117 HydrophobicContact CB-CG2 3.56Å
81K96Very high97.5Very high100 Ų10025.8 Ų25.844%0.43514%0.138SC..THydrogen-bonded Turntrans-74.53.5172.1-73.6-175.4173-171.30113.9V77 T78 A79 K83 V117 E121V77-K81 HydrophobicContact CG1-CD 4.06Å; V77-K81 HydrophobicContact CG1-CG 4.47Å; V77-K81 WeakPolarHBondContact O-CB 3.47Å; V77-K81 WeakPolarHBondContact O-CG 3.26Å; V77-K81 PolarHBondContact O-N 3.26Å; T78-K81 PolarHBondContact O-N 2.92Å; A79-K81 PolarHBondContact O-N 3.27Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 HydrophobicContact CB-CG 4.42Å; K81-K83 PolarHBondContact O-N 3.2Å; K81-V117 HydrophobicContact CG-CG1 4.06Å; K81-E121 VanDerWaalsContact CE-OE1 3.25Å; K81-E121 WeakPolarHBondContact CE-OE1 3.49Å; K81-E121 VanDerWaalsContact CE-OE2 3.28Å; K81-E121 WeakPolarHBondContact CE-OE2 3.42Å; K81-E121 IonicContact NZ-OE1 2.53Å; K81-E121 PolarHBondContact NZ-OE1 3.05Å; K81-E121 IonicContact NZ-OE2 2.76Å; K81-E121 PolarHBondContact NZ-OE2 3.18Å
82G95.6Very high97.6Very high18 Ų1825.9 Ų25.919%0.18613%0.134CC..THydrogen-bonded Turntrans70.121178.100000114.1P66 A79 N80P66-G82 VanDerWaalsContact CD-O 3.23Å; P66-G82 WeakPolarHBondContact CD-O 3.39Å; P66-G82 VanDerWaalsContact CG-O 3.26Å; P66-G82 WeakPolarHBondContact CG-O 3.39Å; A79-G82 WeakPolarHBondContact O-CA 3.46Å; A79-G82 PolarHBondContact O-N 3.01Å; N80-G82 PolarHBondContact O-N 3.25Å
83K96.2Very high97.7Very high126 Ų12625.3 Ų25.355%0.54813%0.131SC..PPolyproline II helixtrans-82166.9173.8-62.2-176.3178.5-179.50110.6P66 T78 K81 A85P66-K83 VanDerWaalsContact CG-C 3.44Å; P66-K83 WeakPolarHBondContact CG-O 3.28Å; T78-K83 HydrophobicContact CG2-CB 3.75Å; T78-K83 HydrophobicContact CG2-CD 4.25Å; T78-K83 WeakPolarHBondContact O-CB 3.47Å; T78-K83 PolarHBondContact O-N 3.13Å; K81-K83 VanDerWaalsContact C-N 3.27Å; K81-K83 HydrophobicContact CB-CG 4.42Å; K81-K83 PolarHBondContact O-N 3.2Å; K83-A85 PolarHBondContact O-N 3.34Å
84E96.9Very high97.7Very high13 Ų1323.2 Ų23.26%0.06112%0.12CC..PPolyproline II helixtrans-67.1119.3177.3-168.978.5-93.100109.8R50 P62 R63 P66 Y148R50-E84 IonicContact NE-OE1 3.64Å; P62-E84 HydrophobicContact CB-CB 3.64Å; P62-E84 HydrophobicContact CB-CG 4.04Å; R63-E84 VanDerWaalsContact CB-OE2 3.32Å; R63-E84 WeakPolarHBondContact CB-OE2 3.33Å; R63-E84 VanDerWaalsContact CG-OE2 3.25Å; R63-E84 WeakPolarHBondContact CG-OE2 3.4Å; R63-E84 IonicContact CZ-OE1 3.47Å; R63-E84 IonicContact CZ-OE2 3.63Å; R63-E84 PolarHBondContact N-OE2 3.09Å; R63-E84 IonicContact NE-OE1 3.4Å; R63-E84 PolarHBondContact NE-OE1 2.85Å; R63-E84 IonicContact NE-OE2 2.77Å; R63-E84 PolarHBondContact NE-OE2 3.01Å; R63-E84 IonicContact NH2-OE1 2.71Å; R63-E84 PolarHBondContact NH2-OE1 3.08Å; R63-E84 IonicContact NH2-OE2 3.63Å; P66-E84 HydrophobicContact CG-CB 4.31Å; E84-Y148 HydrophobicContact CB-CE2 4.15Å; E84-Y148 HydrophobicContact CG-CD2 4.42Å; E84-Y148 HydrophobicContact CG-CE2 3.55Å
85A96.9Very high97.7Very high12 Ų1222.5 Ų22.510%0.09912%0.117CC..PPolyproline II helixtrans-72.1132.7175.200000110.1L20 K83 D89 Y148L20-A85 WeakPolarHBondContact CD1-O 3.41Å; K83-A85 PolarHBondContact O-N 3.34Å; A85-D89 WeakPolarHBondContact CA-OD2 3.45Å; A85-D89 HydrophobicContact CB-CB 4.13Å; A85-Y148 WeakPolarHBondContact O-CE2 3.31Å
86G97.6Very high97.7Very high2 Ų222.8 Ų22.82%0.02112%0.118CC..  trans-109.2-171.6169.900000111.9V88 D89G86-V88 VanDerWaalsContact C-N 3.26Å; G86-V88 PolarHBondContact O-N 3.28Å; G86-D89 PolarHBondContact N-OD2 2.9Å; G86-D89 WeakPolarHBondContact O-CB 3.5Å; G86-D89 PolarHBondContact O-N 3.3Å; G86-D89 VanDerWaalsContact O-N 3.09Å
87R98.6Very high97.7Very high16 Ų1622.8 Ų22.86%0.0612%0.118CC..Hα-helixtrans-61-34-179-68.5173.7-75.3-157-2.5113.2H15 L20 Y52 D89 D90 E149 E150 P152H15-R87 HydrophobicContact CB-CG 4.43Å; H15-R87 PolarHBondContact CE1-O 3.11Å; H15-R87 VanDerWaalsContact CE1-O 3.25Å; L20-R87 HydrophobicContact CD2-CB 4.26Å; L20-R87 HydrophobicContact CD2-CG 3.66Å; Y52-R87 HydrophobicContact CE1-CG 4.25Å; Y52-R87 HydrophobicContact CE2-CG 4.15Å; R87-D89 PolarHBondContact O-N 2.8Å; R87-D90 PolarHBondContact O-N 3.14Å; R87-E149 PolarHBondContact NH2-O 3.09Å; R87-E150 PolarHBondContact NE-O 3.14Å; R87-E150 PolarHBondContact NH2-O 3.2Å; R87-P152 HydrophobicContact CB-CG 3.82Å
88V98.6Very high97.8Very high9 Ų921.8 Ų21.86%0.05511%0.112CC..Hα-helixtrans-60.6-31.3176.764.60000112.1G86 L91 W92 L143 M146G86-V88 VanDerWaalsContact C-N 3.26Å; G86-V88 PolarHBondContact O-N 3.28Å; V88-L91 PolarHBondContact O-N 3.36Å; V88-W92 PolarHBondContact O-N 3.35Å; V88-L143 HydrophobicContact CG2-CB 4.09Å; V88-L143 HydrophobicContact CG2-CD2 4.08Å; V88-L143 WeakPolarHBondContact CG2-O 3.4Å; V88-M146 HydrophobicContact CB-CB 4.08Å; V88-M146 HydrophobicContact CB-CE 4.42Å; V88-M146 HydrophobicContact CB-SD 4.08Å; V88-M146 HydrophobicContact CG2-CB 3.7Å; V88-M146 HydrophobicContact CG2-CG 4.21Å; V88-M146 HydrophobicContact CG2-SD 3.8Å
89D98.7Very high97.8Very high7 Ų719.2 Ų19.24%0.03710%0.096CC..Hα-helixtrans-72.5-34.1-174.4-61.2-65.6000112.2S76 T78 A85 G86 R87 L91 W92 S93S76-D89 WeakPolarHBondContact CB-OD1 3.36Å; S76-D89 PolarHBondContact OG-OD1 3.46Å; T78-D89 WeakPolarHBondContact CB-OD1 3.35Å; A85-D89 WeakPolarHBondContact CA-OD2 3.45Å; A85-D89 HydrophobicContact CB-CB 4.13Å; G86-D89 PolarHBondContact N-OD2 2.9Å; G86-D89 WeakPolarHBondContact O-CB 3.5Å; G86-D89 PolarHBondContact O-N 3.3Å; G86-D89 VanDerWaalsContact O-N 3.09Å; R87-D89 PolarHBondContact O-N 2.8Å; D89-L91 VanDerWaalsContact C-N 3.33Å; D89-W92 WeakPolarHBondContact O-CB 3.09Å; D89-W92 PolarHBondContact O-N 3.42Å; D89-S93 PolarHBondContact O-N 2.66Å; D89-S93 VanDerWaalsContact O-N 3.14Å; D89-S93 PolarHBondContact O-OG 2.87Å
90D98.8Very high97.8Very high4 Ų420.1 Ų20.12%0.02110%0.098CC..Hα-helixtrans-65.2-38170.5-79.9-21.4000111.1V11 H15 L20 H21 R22 I24 R87 S93 V94V11-D90 HydrophobicContact CG1-CB 4.1Å; H15-D90 IonicContact CD2-OD2 3.97Å; H15-D90 IonicContact NE2-OD2 3.05Å; H15-D90 PolarHBondContact NE2-OD2 3.45Å; L20-D90 WeakPolarHBondContact CA-OD2 3.33Å; H21-D90 PolarHBondContact N-OD2 3.41Å; R22-D90 WeakPolarHBondContact CA-OD1 3.36Å; R22-D90 PolarHBondContact N-OD1 3.35Å; I24-D90 HydrophobicContact CD1-CB 3.66Å; R87-D90 PolarHBondContact O-N 3.14Å; D90-S93 WeakPolarHBondContact O-CB 3.33Å; D90-S93 PolarHBondContact O-N 3.49Å; D90-V94 PolarHBondContact O-N 3.37Å
91L98.9Very high97.8Very high3 Ų322.6 Ų22.62%0.01612%0.117CC..Hα-helixtrans-69-35.6175.3-66.8173.1000112.7V8 V11 V88 D89 S93 V94 M95 L143 P152 Y154 I157V8-L91 HydrophobicContact CG1-CD2 4.43Å; V8-L91 HydrophobicContact CG2-CD2 4.44Å; V11-L91 HydrophobicContact CG1-CD2 3.96Å; V11-L91 HydrophobicContact CG1-CG 4.39Å; V88-L91 PolarHBondContact O-N 3.36Å; D89-L91 VanDerWaalsContact C-N 3.33Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.01Å; L91-V94 WeakPolarHBondContact O-CB 3.48Å; L91-V94 PolarHBondContact O-N 3.05Å; L91-M95 WeakPolarHBondContact O-CG 3.46Å; L91-M95 PolarHBondContact O-N 3.34Å; L91-L143 HydrophobicContact CB-CD1 4.01Å; L91-L143 HydrophobicContact CB-CD2 3.8Å; L91-L143 HydrophobicContact CD1-CD2 3.91Å; L91-P152 HydrophobicContact CD1-CB 3.35Å; L91-P152 HydrophobicContact CD1-CG 3.5Å; L91-Y154 HydrophobicContact CD1-CD1 4.4Å; L91-Y154 HydrophobicContact CD1-CE1 4.12Å; L91-Y154 HydrophobicContact CD2-CD1 4.35Å; L91-Y154 HydrophobicContact CD2-CE1 4.35Å; L91-I157 HydrophobicContact CD1-CD1 3.86Å; L91-I157 HydrophobicContact CD2-CD1 4.43Å
92W98.7Very high97.7Very high35 Ų3521 Ų2113%0.13311%0.111CC..Hα-helixtrans-58.3-41.9169.5-87.1110.8000111.6V88 D89 M95 Y96 L140 L143 K144V88-W92 PolarHBondContact O-N 3.35Å; D89-W92 WeakPolarHBondContact O-CB 3.09Å; D89-W92 PolarHBondContact O-N 3.42Å; W92-M95 PolarHBondContact O-N 2.9Å; W92-Y96 HydrophobicContact CB-CE2 4.38Å; W92-Y96 HydrophobicContact CE3-CE1 4.05Å; W92-Y96 HydrophobicContact CE3-CE2 4.02Å; W92-Y96 AromaticContact CE3-CZ 3.58Å; W92-Y96 HydrophobicContact CZ3-CE1 4.17Å; W92-Y96 AromaticContact CZ3-CZ 3.97Å; W92-Y96 VanDerWaalsContact O-CD2 3.25Å; W92-Y96 WeakPolarHBondContact O-CD2 3.19Å; W92-Y96 PolarHBondContact O-N 3.46Å; W92-L140 HydrophobicContact CH2-CD2 4.41Å; W92-L140 HydrophobicContact CZ3-CD2 3.84Å; W92-L143 HydrophobicContact CD2-CB 4.28Å; W92-L143 HydrophobicContact CD2-CD1 4.25Å; W92-L143 HydrophobicContact CG-CD1 4.4Å; W92-L143 HydrophobicContact CZ2-CB 3.79Å; W92-K144 HydrophobicContact CZ2-CB 4.04Å
93S98.8Very high97.7Very high5 Ų522.3 Ų22.34%0.03511%0.113CC..Hα-helixtrans-65.3-39175.8-64.20000113.3I24 Y74 D89 D90 L91 S97I24-S93 WeakPolarHBondContact O-CB 3.32Å; Y74-S93 WeakPolarHBondContact O-CA 3.28Å; Y74-S93 VanDerWaalsContact O-CB 3.31Å; Y74-S93 WeakPolarHBondContact O-CB 3.47Å; Y74-S93 PolarHBondContact O-OG 3.16Å; D89-S93 PolarHBondContact O-N 2.66Å; D89-S93 VanDerWaalsContact O-N 3.14Å; D89-S93 PolarHBondContact O-OG 2.87Å; D90-S93 WeakPolarHBondContact O-CB 3.33Å; D90-S93 PolarHBondContact O-N 3.49Å; L91-S93 VanDerWaalsContact C-N 3.27Å; L91-S93 PolarHBondContact O-N 3.01Å; S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.34Å; S93-S97 PolarHBondContact O-OG 3.5Å
94V98.7Very high97.6Very high2 Ų219.4 Ų19.41%0.01212%0.118CC..Hα-helixtrans-57.3-50.61691730000110.5C7 V8 V11 I24 D90 L91 Y96 S97 I98C7-V94 HydrophobicContact CB-CG1 3.78Å; C7-V94 HydrophobicContact CB-CG2 4.19Å; V8-V94 HydrophobicContact CG2-CG1 4.21Å; V11-V94 HydrophobicContact CG2-CG2 3.76Å; I24-V94 HydrophobicContact CD1-CG2 4.13Å; I24-V94 HydrophobicContact CG2-CG2 4.02Å; D90-V94 PolarHBondContact O-N 3.37Å; L91-V94 WeakPolarHBondContact O-CB 3.48Å; L91-V94 PolarHBondContact O-N 3.05Å; V94-Y96 PolarHBondContact O-N 2.96Å; V94-S97 PolarHBondContact O-N 2.94Å; V94-I98 HydrophobicContact CG1-CG1 4.07Å; V94-I98 WeakPolarHBondContact O-CB 3.42Å; V94-I98 VanDerWaalsContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG1 3.35Å; V94-I98 PolarHBondContact O-N 3.38Å
95M98.6Very high97.6Very high2 Ų220.7 Ų20.71%0.0113%0.132CC..Hα-helixtrans-57.7-50.9-178.4-67.2-52.8-67.100111.9L91 W92 S97 I98 I99 M136 V139 L140 L143 F161L91-M95 WeakPolarHBondContact O-CG 3.46Å; L91-M95 PolarHBondContact O-N 3.34Å; W92-M95 PolarHBondContact O-N 2.9Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.99Å; M95-I98 PolarHBondContact O-N 3.06Å; M95-I99 HydrophobicContact CB-CD1 4.44Å; M95-I99 VanDerWaalsContact O-CB 3.28Å; M95-I99 WeakPolarHBondContact O-CB 3.45Å; M95-I99 WeakPolarHBondContact O-CD1 3.47Å; M95-I99 WeakPolarHBondContact O-CG1 3.38Å; M95-I99 PolarHBondContact O-N 3.1Å; M95-M136 HydrophobicContact CE-CB 4.24Å; M95-M136 HydrophobicContact CE-CE 3.45Å; M95-M136 VanDerWaalsContact CE-CE 3.45Å; M95-V139 HydrophobicContact CE-CB 4.01Å; M95-V139 HydrophobicContact CE-CG1 4Å; M95-V139 HydrophobicContact CG-CG1 4.33Å; M95-V139 HydrophobicContact SD-CB 4.31Å; M95-V139 HydrophobicContact SD-CG1 3.66Å; M95-L140 HydrophobicContact CB-CD2 3.95Å; M95-L140 HydrophobicContact CE-CD2 3.74Å; M95-L140 HydrophobicContact CE-CG 4.26Å; M95-L140 HydrophobicContact CG-CD2 4.02Å; M95-L143 HydrophobicContact CG-CD1 3.58Å; M95-F161 HydrophobicContact CE-CZ 4.39Å; M95-F161 HydrophobicContact SD-CZ 3.85Å
96Y98.5Very high97.6Very high8 Ų820.5 Ų20.53%0.03113%0.129CC..Hα-helixtrans-62-39.7178.5-62.5-42.2000112.5Y74 W92 V94 I99 E100 L106 W108 K120 L128Y74-Y96 WeakPolarHBondContact O-CD2 3.42Å; W92-Y96 HydrophobicContact CB-CE2 4.38Å; W92-Y96 HydrophobicContact CE3-CE1 4.05Å; W92-Y96 HydrophobicContact CE3-CE2 4.02Å; W92-Y96 AromaticContact CE3-CZ 3.58Å; W92-Y96 HydrophobicContact CZ3-CE1 4.17Å; W92-Y96 AromaticContact CZ3-CZ 3.97Å; W92-Y96 VanDerWaalsContact O-CD2 3.25Å; W92-Y96 WeakPolarHBondContact O-CD2 3.19Å; W92-Y96 PolarHBondContact O-N 3.46Å; V94-Y96 PolarHBondContact O-N 2.96Å; Y96-I99 PolarHBondContact O-N 3.28Å; Y96-E100 WeakPolarHBondContact O-CB 3.32Å; Y96-E100 PolarHBondContact O-N 2.83Å; Y96-L106 HydrophobicContact CD1-CD2 4.48Å; Y96-W108 AromaticContact CD1-CH2 3.74Å; Y96-W108 HydrophobicContact CD1-CH2 3.74Å; Y96-W108 AromaticContact CD1-CZ2 3.66Å; Y96-W108 HydrophobicContact CD1-CZ2 3.66Å; Y96-W108 HydrophobicContact CD2-CZ2 4.47Å; Y96-W108 AromaticContact CE1-CH2 3.48Å; Y96-W108 HydrophobicContact CE1-CH2 3.48Å; Y96-W108 VanDerWaalsContact CE1-CH2 3.48Å; Y96-W108 AromaticContact CE1-CZ2 3.76Å; Y96-W108 HydrophobicContact CE1-CZ2 3.76Å; Y96-W108 HydrophobicContact CG-CZ2 4.04Å; Y96-K120 HydrophobicContact CE2-CD 4.47Å; Y96-L128 HydrophobicContact CD1-CD2 4.4Å; Y96-L128 HydrophobicContact CE1-CD2 3.95Å
97S98.3Very high97.5Very high1 Ų123.2 Ų23.21%0.00715%0.146CC..Hα-helixtrans-63.9-44178.5-54.60000111.5K25 S93 V94 M95 E100 C101K25-S97 WeakPolarHBondContact CA-OG 3.38Å; S93-S97 WeakPolarHBondContact O-CB 3.39Å; S93-S97 PolarHBondContact O-N 3.34Å; S93-S97 PolarHBondContact O-OG 3.5Å; V94-S97 PolarHBondContact O-N 2.94Å; M95-S97 VanDerWaalsContact C-N 3.32Å; M95-S97 PolarHBondContact O-N 2.99Å; S97-E100 PolarHBondContact O-N 3.18Å; S97-C101 PolarHBondContact O-N 3.38Å; S97-C101 PolarHBondContact O-SG 2.9Å
98I98Very high97.4Very high6 Ų622.5 Ų22.53%0.03114%0.143CC..Hα-helixtrans-68.7-39.4179.4-66.1-57.1000111.7M1 I3 A4 V94 M95 E100 C101 M102 M136M1-I98 HydrophobicContact CE-CG2 4.41Å; I3-I98 HydrophobicContact CB-CD1 4.3Å; I3-I98 HydrophobicContact CG2-CD1 3.87Å; A4-I98 HydrophobicContact CB-CB 4.35Å; A4-I98 HydrophobicContact CB-CD1 3.8Å; A4-I98 HydrophobicContact CB-CG1 3.7Å; A4-I98 HydrophobicContact CB-CG2 3.76Å; V94-I98 HydrophobicContact CG1-CG1 4.07Å; V94-I98 WeakPolarHBondContact O-CB 3.42Å; V94-I98 VanDerWaalsContact O-CG1 3.28Å; V94-I98 WeakPolarHBondContact O-CG1 3.35Å; V94-I98 PolarHBondContact O-N 3.38Å; M95-I98 PolarHBondContact O-N 3.06Å; I98-E100 VanDerWaalsContact C-N 3.34Å; I98-C101 PolarHBondContact O-N 3.24Å; I98-M102 HydrophobicContact CG2-CE 3.39Å; I98-M102 HydrophobicContact CG2-SD 4.4Å; I98-M102 WeakPolarHBondContact O-CG 3.3Å; I98-M102 PolarHBondContact O-N 2.87Å; I98-M102 VanDerWaalsContact O-N 3.11Å; I98-M136 HydrophobicContact CG2-CE 4.09Å
99I98Very high97.3Very high0 Ų023.8 Ų23.80%015%0.15CC..Hα-helixtrans-62.6-43.4175.8-72.2168.1000110.1M95 Y96 M102 Q103 L106 L128 L129 M136 L140M95-I99 HydrophobicContact CB-CD1 4.44Å; M95-I99 VanDerWaalsContact O-CB 3.28Å; M95-I99 WeakPolarHBondContact O-CB 3.45Å; M95-I99 WeakPolarHBondContact O-CD1 3.47Å; M95-I99 WeakPolarHBondContact O-CG1 3.38Å; M95-I99 PolarHBondContact O-N 3.1Å; Y96-I99 PolarHBondContact O-N 3.28Å; I99-M102 PolarHBondContact O-N 2.85Å; I99-Q103 VanDerWaalsContact O-CG 3.32Å; I99-Q103 WeakPolarHBondContact O-CG 3.4Å; I99-Q103 PolarHBondContact O-N 3.24Å; I99-Q103 VanDerWaalsContact O-N 3.1Å; I99-L106 HydrophobicContact CB-CD2 4.36Å; I99-L106 HydrophobicContact CG2-CD2 3.94Å; I99-L128 HydrophobicContact CD1-CD1 4.48Å; I99-L128 HydrophobicContact CD1-CD2 4.14Å; I99-L128 HydrophobicContact CD1-CG 4.06Å; I99-L128 HydrophobicContact CG2-CD1 4.05Å; I99-L128 HydrophobicContact CG2-CG 4.43Å; I99-L128 WeakPolarHBondContact CG2-O 3.43Å; I99-L129 HydrophobicContact CD1-CD2 3.71Å; I99-L129 HydrophobicContact CG1-CD2 3.91Å; I99-M136 HydrophobicContact CD1-CE 4.39Å; I99-M136 HydrophobicContact CG1-CE 3.76Å; I99-L140 HydrophobicContact CD1-CD2 4.35Å
100E97.4Very high97.1Very high30 Ų3032.5 Ų32.514%0.1419%0.19CC..Hα-helixtrans-61.3-46.3172.9-169.3-172.1-117.700111.6P26 Y74 Y96 S97 I98 M102 Q103 G104 L106P26-E100 WeakPolarHBondContact CG-OE2 3.2Å; Y74-E100 WeakPolarHBondContact CE1-OE2 3.38Å; Y74-E100 PolarHBondContact OH-OE1 3.07Å; Y74-E100 PolarHBondContact OH-OE2 2.87Å; Y96-E100 WeakPolarHBondContact O-CB 3.32Å; Y96-E100 PolarHBondContact O-N 2.83Å; S97-E100 PolarHBondContact O-N 3.18Å; I98-E100 VanDerWaalsContact C-N 3.34Å; E100-M102 PolarHBondContact O-N 3.1Å; E100-M102 VanDerWaalsContact O-N 3.14Å; E100-Q103 PolarHBondContact O-N 3.29Å; E100-G104 WeakPolarHBondContact O-CA 3.42Å; E100-G104 PolarHBondContact O-N 3.49Å; E100-L106 HydrophobicContact CB-CD2 4.4Å; E100-L106 HydrophobicContact CB-CG 4.04Å; E100-L106 HydrophobicContact CG-CG 4.42Å
101C95.5Very high96.9Very high76 Ų7634.6 Ų34.651%0.51420%0.203SC..Hα-helixtrans-58.2-29.1177.8-68.50000113.6S97 I98S97-C101 PolarHBondContact O-N 3.38Å; S97-C101 PolarHBondContact O-SG 2.9Å; I98-C101 PolarHBondContact O-N 3.24Å
102M94.7Very high96.7Very high65 Ų6539.5 Ų39.532%0.3223%0.229SC..Hα-helixtrans-81.9-40.2177.9-70171.6-171.100113.3M1 I98 I99 E100 A132 M136M1-M102 HydrophobicContact CE-CE 3Å; M1-M102 HydrophobicContact CE-SD 4.41Å; I98-M102 HydrophobicContact CG2-CE 3.39Å; I98-M102 HydrophobicContact CG2-SD 4.4Å; I98-M102 WeakPolarHBondContact O-CG 3.3Å; I98-M102 PolarHBondContact O-N 2.87Å; I98-M102 VanDerWaalsContact O-N 3.11Å; I99-M102 PolarHBondContact O-N 2.85Å; E100-M102 PolarHBondContact O-N 3.1Å; E100-M102 VanDerWaalsContact O-N 3.14Å; M102-A132 HydrophobicContact SD-CB 3.74Å; M102-M136 HydrophobicContact CE-CE 4.48Å; M102-M136 HydrophobicContact CE-SD 3.93Å; M102-M136 HydrophobicContact SD-SD 3.93Å
103Q94.5Very high96.5Very high46 Ų4643.8 Ų43.822%0.21525%0.251CS..Hα-helixtrans-101.5-14.3-168.5-52.8-170.198.500112.9I99 E100 A105 L128 N131I99-Q103 VanDerWaalsContact O-CG 3.32Å; I99-Q103 WeakPolarHBondContact O-CG 3.4Å; I99-Q103 PolarHBondContact O-N 3.24Å; I99-Q103 VanDerWaalsContact O-N 3.1Å; E100-Q103 PolarHBondContact O-N 3.29Å; Q103-A105 VanDerWaalsContact C-N 3.27Å; Q103-A105 PolarHBondContact O-N 3.44Å; Q103-L128 PolarHBondContact NE2-O 2.88Å; Q103-N131 HydrophobicContact CG-CB 3.92Å
104G95.3Very high96.2Very high65 Ų6551.6 Ų51.667%0.6728%0.284SS*.SBendtrans85.9-17.5-176.600000114.7E100E100-G104 WeakPolarHBondContact O-CA 3.42Å; E100-G104 PolarHBondContact O-N 3.49Å
105A95.9Very high96.2Very high41 Ų4154.6 Ų54.634%0.33930%0.3SS..SBendtrans-156.2154.5177.900000111.2Q103 D109Q103-A105 VanDerWaalsContact C-N 3.27Å; Q103-A105 PolarHBondContact O-N 3.44Å; A105-D109 WeakPolarHBondContact CA-OD2 3.11Å; A105-D109 VanDerWaalsContact CB-OD2 3.24Å; A105-D109 WeakPolarHBondContact CB-OD2 3.48Å
106L97.1Very high96.1Very high7 Ų754.7 Ų54.74%0.03730%0.301CS..  trans-86.8153.4162.9-65.6165.1000110.5Y74 Y96 I99 E100 W108 D109 L128Y74-L106 HydrophobicContact CD1-CD1 4.19Å; Y74-L106 HydrophobicContact CE1-CD1 4.26Å; Y96-L106 HydrophobicContact CD1-CD2 4.48Å; I99-L106 HydrophobicContact CB-CD2 4.36Å; I99-L106 HydrophobicContact CG2-CD2 3.94Å; E100-L106 HydrophobicContact CB-CD2 4.4Å; E100-L106 HydrophobicContact CB-CG 4.04Å; E100-L106 HydrophobicContact CG-CG 4.42Å; L106-W108 HydrophobicContact CB-CD2 4.3Å; L106-W108 HydrophobicContact CB-CG 4.49Å; L106-W108 HydrophobicContact CB-CZ2 4.17Å; L106-W108 HydrophobicContact CD1-CZ2 3.94Å; L106-W108 HydrophobicContact CD2-CH2 4.48Å; L106-W108 HydrophobicContact CD2-CZ2 3.98Å; L106-W108 HydrophobicContact CG-CZ2 4.26Å; L106-W108 PolarHBondContact O-N 2.92Å; L106-D109 WeakPolarHBondContact CB-OD1 3.48Å; L106-D109 PolarHBondContact N-OD2 3.21Å; L106-D109 PolarHBondContact O-N 3.2Å; L106-D109 VanDerWaalsContact O-N 3.15Å; L106-L128 HydrophobicContact CD2-CD1 4.35Å
107P96.4Very high96.1Very high59 Ų5955.8 Ų55.838%0.38331%0.308SS..THydrogen-bonded Turntrans-57.1-14.6178.3-2735.2000115.3M123 L128P107-M123 HydrophobicContact CB-CE 4.25Å; P107-L128 HydrophobicContact CG-CD1 4.17Å
108W97.1Very high96Very high2 Ų259 Ų591%0.00833%0.33CS..THydrogen-bonded Turntrans-114.810.3-176.752.870.2000114.9L73 Y96 L106 H110 V111 I116 I119 K120 L128L73-W108 PolarHBondContact O-NE1 2.96Å; Y96-W108 AromaticContact CD1-CH2 3.74Å; Y96-W108 HydrophobicContact CD1-CH2 3.74Å; Y96-W108 AromaticContact CD1-CZ2 3.66Å; Y96-W108 HydrophobicContact CD1-CZ2 3.66Å; Y96-W108 HydrophobicContact CD2-CZ2 4.47Å; Y96-W108 AromaticContact CE1-CH2 3.48Å; Y96-W108 HydrophobicContact CE1-CH2 3.48Å; Y96-W108 VanDerWaalsContact CE1-CH2 3.48Å; Y96-W108 AromaticContact CE1-CZ2 3.76Å; Y96-W108 HydrophobicContact CE1-CZ2 3.76Å; Y96-W108 HydrophobicContact CG-CZ2 4.04Å; L106-W108 HydrophobicContact CB-CD2 4.3Å; L106-W108 HydrophobicContact CB-CG 4.49Å; L106-W108 HydrophobicContact CB-CZ2 4.17Å; L106-W108 HydrophobicContact CD1-CZ2 3.94Å; L106-W108 HydrophobicContact CD2-CH2 4.48Å; L106-W108 HydrophobicContact CD2-CZ2 3.98Å; L106-W108 HydrophobicContact CG-CZ2 4.26Å; L106-W108 PolarHBondContact O-N 2.92Å; W108-H110 VanDerWaalsContact C-N 3.28Å; W108-H110 PolarHBondContact O-N 3.24Å; W108-V111 HydrophobicContact CB-CB 4.38Å; W108-V111 HydrophobicContact CB-CG2 4.33Å; W108-V111 PolarHBondContact O-N 3.26Å; W108-I116 HydrophobicContact CB-CG1 4.28Å; W108-I116 HydrophobicContact CB-CG2 4.32Å; W108-I116 HydrophobicContact CG-CG2 3.96Å; W108-I119 HydrophobicContact CB-CG2 4.42Å; W108-I119 HydrophobicContact CE3-CG2 3.98Å; W108-K120 HydrophobicContact CD2-CG 3.92Å; W108-K120 HydrophobicContact CE3-CG 3.82Å; W108-K120 HydrophobicContact CH2-CG 3.81Å; W108-K120 HydrophobicContact CZ2-CD 4.24Å; W108-K120 HydrophobicContact CZ2-CG 3.91Å; W108-K120 HydrophobicContact CZ3-CG 3.76Å; W108-L128 HydrophobicContact CH2-CD1 3.72Å; W108-L128 HydrophobicContact CZ3-CD1 4.03Å
109D94.7Very high96Very high36 Ų3660.8 Ų60.819%0.19334%0.339CS..THydrogen-bonded Turntrans-61.7-32.4-176.1-76.4-11.2000114.5A105 L106A105-D109 WeakPolarHBondContact CA-OD2 3.11Å; A105-D109 VanDerWaalsContact CB-OD2 3.24Å; A105-D109 WeakPolarHBondContact CB-OD2 3.48Å; L106-D109 WeakPolarHBondContact CB-OD1 3.48Å; L106-D109 PolarHBondContact N-OD2 3.21Å; L106-D109 PolarHBondContact O-N 3.2Å; L106-D109 VanDerWaalsContact O-N 3.15Å
110H94.5Very high96Very high189 Ų18961.4 Ų61.488%0.87534%0.342SS*.THydrogen-bonded Turntrans-10917.4-179.1-55.9-37.6000112.7W108W108-H110 VanDerWaalsContact C-N 3.28Å; W108-H110 PolarHBondContact O-N 3.24Å
111V95Very high96Very high48 Ų4864.2 Ų64.229%0.29136%0.355SS..SBendtrans-92.6148177.4178.20000109.7W108 E113 D115 I119W108-V111 HydrophobicContact CB-CB 4.38Å; W108-V111 HydrophobicContact CB-CG2 4.33Å; W108-V111 PolarHBondContact O-N 3.26Å; V111-E113 PolarHBondContact O-N 3.43Å; V111-D115 HydrophobicContact CG1-CB 3.7Å; V111-I119 HydrophobicContact CB-CD1 4.18Å; V111-I119 HydrophobicContact CG1-CD1 3.63Å; V111-I119 HydrophobicContact CG2-CD1 3.76Å
112N95.8Very high96Very high106 Ų10666.2 Ų66.257%0.56736%0.361SS*.  trans-55.9134.2171.3-66.4-52.3000110.7K114 D115N112-K114 HydrophobicContact CB-CG 4.12Å; N112-K114 PolarHBondContact O-N 3.43Å; N112-D115 WeakPolarHBondContact CB-OD2 3.38Å; N112-D115 PolarHBondContact O-N 2.91Å
113E93.3Very high96.1Very high125 Ų12565.4 Ų65.458%0.58436%0.357SS*.Hα-helixtrans-52-36.9-174.5-167.7177.4-176.500113.8T72 V111 D115 I116T72-E113 WeakPolarHBondContact CB-OE1 3.49Å; T72-E113 HydrophobicContact CG2-CG 3.78Å; T72-E113 PolarHBondContact OG1-OE1 2.91Å; V111-E113 PolarHBondContact O-N 3.43Å; E113-D115 PolarHBondContact O-N 3.33Å; E113-I116 HydrophobicContact CB-CD1 4.46Å; E113-I116 HydrophobicContact CG-CD1 4.33Å; E113-I116 WeakPolarHBondContact O-CB 3.31Å; E113-I116 PolarHBondContact O-N 2.96Å
114K93.9Very high96.2Very high170 Ų17066.1 Ų66.174%0.73937%0.365SS*.Hα-helixtrans-61.8-25.117868.4178.7-174.6176.80114.3N112N112-K114 HydrophobicContact CB-CG 4.12Å; N112-K114 PolarHBondContact O-N 3.43Å
115D97.3Very high96.3Very high64 Ų6464 Ų6434%0.34234%0.338SS..Hα-helixtrans-96.1-18.7-174.9-58.8-43.8000111.5V111 N112 E113 V117 S118 I119V111-D115 HydrophobicContact CG1-CB 3.7Å; N112-D115 WeakPolarHBondContact CB-OD2 3.38Å; N112-D115 PolarHBondContact O-N 2.91Å; E113-D115 PolarHBondContact O-N 3.33Å; D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.2Å; D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.41Å; D115-S118 VanDerWaalsContact O-N 3.11Å; D115-I119 PolarHBondContact O-N 3.2Å; D115-I119 VanDerWaalsContact O-N 3.09Å
116I97.8Very high96.3Very high5 Ų567.4 Ų67.43%0.02635%0.348CS..Hα-helixtrans-53.5-44.7-176.4-64.8-179.6000112T72 L73 W108 E113 S118 I119 K120T72-I116 HydrophobicContact CG2-CB 4.4Å; T72-I116 HydrophobicContact CG2-CD1 4.05Å; T72-I116 HydrophobicContact CG2-CG2 4.27Å; L73-I116 HydrophobicContact CD2-CD1 3.99Å; W108-I116 HydrophobicContact CB-CG1 4.28Å; W108-I116 HydrophobicContact CB-CG2 4.32Å; W108-I116 HydrophobicContact CG-CG2 3.96Å; E113-I116 HydrophobicContact CB-CD1 4.46Å; E113-I116 HydrophobicContact CG-CD1 4.33Å; E113-I116 WeakPolarHBondContact O-CB 3.31Å; E113-I116 PolarHBondContact O-N 2.96Å; I116-S118 VanDerWaalsContact C-N 3.35Å; I116-S118 PolarHBondContact O-N 3.4Å; I116-I119 PolarHBondContact O-N 2.99Å; I116-K120 HydrophobicContact CG2-CD 3.92Å; I116-K120 HydrophobicContact CG2-CG 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.46Å; I116-K120 PolarHBondContact O-N 3.42Å
117V96.9Very high96.3Very high30 Ų3071.7 Ų71.718%0.18237%0.37CS..Hα-helixtrans-62.2-44.3-178-177.20000111.2V77 N80 K81 D115 I119 K120 E121V77-V117 HydrophobicContact CG1-CG1 4.25Å; N80-V117 HydrophobicContact CB-CG2 3.56Å; K81-V117 HydrophobicContact CG-CG1 4.06Å; D115-V117 VanDerWaalsContact C-N 3.31Å; D115-V117 PolarHBondContact O-N 3.2Å; V117-I119 VanDerWaalsContact C-N 3.32Å; V117-I119 PolarHBondContact O-N 2.94Å; V117-K120 PolarHBondContact O-N 2.99Å; V117-E121 WeakPolarHBondContact O-CG 3.25Å; V117-E121 PolarHBondContact O-N 2.74Å; V117-E121 VanDerWaalsContact O-N 3.08Å
118S97.6Very high96.3Very high68 Ų6869.2 Ų69.248%0.47635%0.354SS..Hα-helixtrans-63.2-41.1178.3-1740000111.2D115 I116 E121 N122D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.41Å; D115-S118 VanDerWaalsContact O-N 3.11Å; I116-S118 VanDerWaalsContact C-N 3.35Å; I116-S118 PolarHBondContact O-N 3.4Å; S118-E121 PolarHBondContact O-N 3.25Å; S118-N122 PolarHBondContact O-N 2.74Å; S118-N122 PolarHBondContact O-ND2 3.18Å
119I97.8Very high96.3Very high44 Ų4469.7 Ų69.723%0.22636%0.356CS..Hα-helixtrans-63.8-49.9176.9-65.1-177.6000110.6W108 V111 D115 I116 V117 E121 N122 M123W108-I119 HydrophobicContact CB-CG2 4.42Å; W108-I119 HydrophobicContact CE3-CG2 3.98Å; V111-I119 HydrophobicContact CB-CD1 4.18Å; V111-I119 HydrophobicContact CG1-CD1 3.63Å; V111-I119 HydrophobicContact CG2-CD1 3.76Å; D115-I119 PolarHBondContact O-N 3.2Å; D115-I119 VanDerWaalsContact O-N 3.09Å; I116-I119 PolarHBondContact O-N 2.99Å; V117-I119 VanDerWaalsContact C-N 3.32Å; V117-I119 PolarHBondContact O-N 2.94Å; I119-E121 PolarHBondContact O-N 3.46Å; I119-N122 PolarHBondContact O-N 2.68Å; I119-N122 VanDerWaalsContact O-N 3.14Å; I119-M123 HydrophobicContact CG2-CE 3.38Å; I119-M123 WeakPolarHBondContact O-CB 3.24Å; I119-M123 PolarHBondContact O-N 3.2Å
120K97.8Very high96.4Very high14 Ų1474.9 Ų74.96%0.06138%0.379CS..Hα-helixtrans-55-38.9178-76.4179.2170.1-1760112.9T72 L73 S75 V77 Y96 W108 I116 V117T72-K120 PolarHBondContact O-NZ 2.77Å; L73-K120 VanDerWaalsContact C-NZ 3.33Å; L73-K120 WeakPolarHBondContact O-CE 3.38Å; L73-K120 PolarHBondContact O-NZ 2.71Å; S75-K120 PolarHBondContact O-NZ 3.47Å; V77-K120 HydrophobicContact CG2-CB 3.59Å; Y96-K120 HydrophobicContact CE2-CD 4.47Å; W108-K120 HydrophobicContact CD2-CG 3.92Å; W108-K120 HydrophobicContact CE3-CG 3.82Å; W108-K120 HydrophobicContact CH2-CG 3.81Å; W108-K120 HydrophobicContact CZ2-CD 4.24Å; W108-K120 HydrophobicContact CZ2-CG 3.91Å; W108-K120 HydrophobicContact CZ3-CG 3.76Å; I116-K120 HydrophobicContact CG2-CD 3.92Å; I116-K120 HydrophobicContact CG2-CG 4.25Å; I116-K120 WeakPolarHBondContact O-CG 3.46Å; I116-K120 PolarHBondContact O-N 3.42Å; V117-K120 PolarHBondContact O-N 2.99Å
121E96.5Very high96.4Very high88 Ų8871.3 Ų71.341%0.41137%0.367SS..Hα-helixtrans-70.8-32-179.5-74.5-165.912400114.2V77 K81 V117 S118 I119V77-E121 HydrophobicContact CB-CG 4.23Å; V77-E121 HydrophobicContact CG1-CG 3.4Å; V77-E121 VanDerWaalsContact CG1-CG 3.4Å; V77-E121 VanDerWaalsContact CG1-OE1 3.25Å; V77-E121 WeakPolarHBondContact CG1-OE1 3.37Å; V77-E121 HydrophobicContact CG2-CG 3.76Å; K81-E121 VanDerWaalsContact CE-OE1 3.25Å; K81-E121 WeakPolarHBondContact CE-OE1 3.49Å; K81-E121 VanDerWaalsContact CE-OE2 3.28Å; K81-E121 WeakPolarHBondContact CE-OE2 3.42Å; K81-E121 IonicContact NZ-OE1 2.53Å; K81-E121 PolarHBondContact NZ-OE1 3.05Å; K81-E121 IonicContact NZ-OE2 2.76Å; K81-E121 PolarHBondContact NZ-OE2 3.18Å; V117-E121 WeakPolarHBondContact O-CG 3.25Å; V117-E121 PolarHBondContact O-N 2.74Å; V117-E121 VanDerWaalsContact O-N 3.08Å; S118-E121 PolarHBondContact O-N 3.25Å; I119-E121 PolarHBondContact O-N 3.46Å
122N97.1Very high96.4Very high119 Ų11969.8 Ų69.864%0.63636%0.359SS*.Hα-helixtrans-105.4-7.3-172-65-70.5000113.4S118 I119 P124S118-N122 PolarHBondContact O-N 2.74Å; S118-N122 PolarHBondContact O-ND2 3.18Å; I119-N122 PolarHBondContact O-N 2.68Å; I119-N122 VanDerWaalsContact O-N 3.14Å; N122-P124 VanDerWaalsContact O-CD 3.31Å; N122-P124 WeakPolarHBondContact O-CD 3.12Å
123M96.2Very high96.4Very high48 Ų4866.2 Ų66.224%0.23634%0.341CS..  trans-67.1121178.8-166.96148.300110.7P107 I119 L127 L128P107-M123 HydrophobicContact CB-CE 4.25Å; I119-M123 HydrophobicContact CG2-CE 3.38Å; I119-M123 WeakPolarHBondContact O-CB 3.24Å; I119-M123 PolarHBondContact O-N 3.2Å; M123-L127 HydrophobicContact SD-CB 3.69Å; M123-L127 HydrophobicContact SD-CD1 4.22Å; M123-L128 HydrophobicContact CG-CB 4.13Å
124P97Very high96.5Very high60 Ų6067.3 Ų67.339%0.3935%0.347SS..  trans-62.1141.7166.6-19.332.6000110.8N122 Q126 L127 L128N122-P124 VanDerWaalsContact O-CD 3.31Å; N122-P124 WeakPolarHBondContact O-CD 3.12Å; P124-Q126 PolarHBondContact O-N 3.29Å; P124-L127 HydrophobicContact CG-CD1 4.17Å; P124-L127 PolarHBondContact O-N 2.96Å; P124-L127 VanDerWaalsContact O-N 3.08Å; P124-L128 PolarHBondContact O-N 2.96Å; P124-L128 VanDerWaalsContact O-N 3.12Å
125N97.2Very high96.6Very high20 Ų2061 Ų6111%0.10732%0.32CS..Hα-helixtrans-57.8-35.2178.3-67.2-22.7000111.7L127 L128 L129 E137 L140 N141N125-L127 VanDerWaalsContact C-N 3.29Å; N125-L127 PolarHBondContact O-N 3.41Å; N125-L128 CarbonylContact O-C 3.53Å; N125-L128 PolarHBondContact O-N 2.98Å; N125-L128 VanDerWaalsContact O-N 3.12Å; N125-L129 WeakPolarHBondContact O-CB 3.46Å; N125-L129 WeakPolarHBondContact O-CG 3.33Å; N125-L129 PolarHBondContact O-N 3.36Å; N125-E137 HydrophobicContact CB-CG 4.03Å; N125-E137 WeakPolarHBondContact CB-OE1 3.32Å; N125-E137 PolarHBondContact ND2-OE1 3.17Å; N125-E137 VanDerWaalsContact ND2-OE1 3.17Å; N125-L140 HydrophobicContact CB-CD1 4.1Å; N125-N141 PolarHBondContact ND2-OD1 3.12Å
126Q95.9Very high96.7Very high114 Ų11458 Ų5853%0.53330%0.304SS..Hα-helixtrans-61.3-36.4179.1-6474.12000112.4P124 E130 E137P124-Q126 PolarHBondContact O-N 3.29Å; Q126-E130 PolarHBondContact O-N 3.19Å; Q126-E137 VanDerWaalsContact NE2-CD 3.28Å; Q126-E137 PolarHBondContact NE2-OE1 2.93Å; Q126-E137 PolarHBondContact NE2-OE2 3.21Å
127L96.4Very high96.7Very high97 Ų9760.1 Ų60.151%0.50831%0.314SS..Hα-helixtrans-77.5-33.6174.9-71.8-177.9000111.7M123 P124 N125 L129M123-L127 HydrophobicContact SD-CB 3.69Å; M123-L127 HydrophobicContact SD-CD1 4.22Å; P124-L127 HydrophobicContact CG-CD1 4.17Å; P124-L127 PolarHBondContact O-N 2.96Å; P124-L127 VanDerWaalsContact O-N 3.08Å; N125-L127 VanDerWaalsContact C-N 3.29Å; N125-L127 PolarHBondContact O-N 3.41Å; L127-L129 VanDerWaalsContact C-N 3.28Å; L127-L129 PolarHBondContact O-N 3.37Å
128L97.4Very high96.7Very high7 Ų766.1 Ų66.14%0.03733%0.334CS..Hα-helixtrans-67.9-30.817518059.5000112.2Y96 I99 Q103 L106 P107 W108 M123 P124 N125 L140Y96-L128 HydrophobicContact CD1-CD2 4.4Å; Y96-L128 HydrophobicContact CE1-CD2 3.95Å; I99-L128 HydrophobicContact CD1-CD1 4.48Å; I99-L128 HydrophobicContact CD1-CD2 4.14Å; I99-L128 HydrophobicContact CD1-CG 4.06Å; I99-L128 HydrophobicContact CG2-CD1 4.05Å; I99-L128 HydrophobicContact CG2-CG 4.43Å; I99-L128 WeakPolarHBondContact CG2-O 3.43Å; Q103-L128 PolarHBondContact NE2-O 2.88Å; L106-L128 HydrophobicContact CD2-CD1 4.35Å; P107-L128 HydrophobicContact CG-CD1 4.17Å; W108-L128 HydrophobicContact CH2-CD1 3.72Å; W108-L128 HydrophobicContact CZ3-CD1 4.03Å; M123-L128 HydrophobicContact CG-CB 4.13Å; P124-L128 PolarHBondContact O-N 2.96Å; P124-L128 VanDerWaalsContact O-N 3.12Å; N125-L128 CarbonylContact O-C 3.53Å; N125-L128 PolarHBondContact O-N 2.98Å; N125-L128 VanDerWaalsContact O-N 3.12Å; L128-L140 HydrophobicContact CD2-CD1 3.95Å
129L97.4Very high96.8Very high11 Ų1162.9 Ų62.96%0.05831%0.312CS..THydrogen-bonded Turntrans-105.420.9-176.3-61.5176.3000113.4I99 N125 L127 N131 A132 M136 E137 L140I99-L129 HydrophobicContact CD1-CD2 3.71Å; I99-L129 HydrophobicContact CG1-CD2 3.91Å; N125-L129 WeakPolarHBondContact O-CB 3.46Å; N125-L129 WeakPolarHBondContact O-CG 3.33Å; N125-L129 PolarHBondContact O-N 3.36Å; L127-L129 VanDerWaalsContact C-N 3.28Å; L127-L129 PolarHBondContact O-N 3.37Å; L129-N131 PolarHBondContact O-N 3.43Å; L129-N131 VanDerWaalsContact O-N 3.07Å; L129-A132 HydrophobicContact CB-CB 4.32Å; L129-A132 HydrophobicContact CD2-CB 3.92Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-A132 VanDerWaalsContact O-O 3.09Å; L129-M136 HydrophobicContact CD1-CB 3.98Å; L129-M136 HydrophobicContact CD2-CB 3.94Å; L129-M136 HydrophobicContact CD2-CE 4.46Å; L129-E137 HydrophobicContact CD1-CB 3.88Å; L129-E137 VanDerWaalsContact CD1-N 3.31Å; L129-L140 HydrophobicContact CD1-CD1 3.77Å; L129-L140 HydrophobicContact CD2-CD1 4.1Å; L129-L140 HydrophobicContact CG-CD1 3.93Å
130E95.3Very high96.8Very high145 Ų14560.8 Ų60.868%0.67830%0.301SS*.THydrogen-bonded Turntrans-51.4-37.9-173-176.8177.4-161.800113.9Q126Q126-E130 PolarHBondContact O-N 3.19Å
131N94.2Very high96.8Very high115 Ų11563.6 Ų63.662%0.61532%0.317SS*.THydrogen-bonded Turntrans-120.429.2177.6-57.3-74.7000112.5Q103 L129Q103-N131 HydrophobicContact CG-CB 3.92Å; L129-N131 PolarHBondContact O-N 3.43Å; L129-N131 VanDerWaalsContact O-N 3.07Å
132A95.2Very high96.9Very high16 Ų1661.5 Ų61.513%0.13231%0.305CS..SBendtrans-124159.6174.600000110.1M102 L129 E134 M136M102-A132 HydrophobicContact SD-CB 3.74Å; L129-A132 HydrophobicContact CB-CB 4.32Å; L129-A132 HydrophobicContact CD2-CB 3.92Å; L129-A132 PolarHBondContact O-N 3.47Å; L129-A132 VanDerWaalsContact O-O 3.09Å; A132-E134 PolarHBondContact O-N 3.36Å; A132-M136 HydrophobicContact CB-SD 4.21Å
133P95.8Very high97Very high30 Ų3055.9 Ų55.920%0.19528%0.275CS..  trans-55.1126.8175.2-26.134.9000111.7E135 M136 I164P133-E135 WeakPolarHBondContact CB-OE2 3.13Å; P133-E135 PolarHBondContact O-N 3.22Å; P133-M136 HydrophobicContact CB-CG 4.4Å; P133-M136 VanDerWaalsContact O-CB 3.31Å; P133-M136 WeakPolarHBondContact O-CB 3.43Å; P133-M136 WeakPolarHBondContact O-CG 3.31Å; P133-M136 PolarHBondContact O-N 3.25Å; P133-I164 HydrophobicContact CB-CD1 4.06Å; P133-I164 HydrophobicContact CB-CG1 4.41Å; P133-I164 HydrophobicContact CB-CG2 3.76Å; P133-I164 HydrophobicContact CG-CG2 3.74Å
134E95.7Very high97.1Very high149 Ų14960.7 Ų60.770%0.69630%0.295SS*.THydrogen-bonded Turntrans-64.5-26.1-173.963.2175.9-162.800112.1A132 M136 E137A132-E134 PolarHBondContact O-N 3.36Å; E134-M136 PolarHBondContact O-N 2.97Å; E134-M136 VanDerWaalsContact O-N 3.13Å; E134-E137 WeakPolarHBondContact O-CB 3.44Å; E134-E137 PolarHBondContact O-N 3.17Å
135E96.8Very high97.1Very high38 Ų3861.7 Ų61.718%0.17830%0.303CS..THydrogen-bonded Turntrans-61.5-22176.2-56.672.5-156.100112.1P133 E137 Y138 L160 I164P133-E135 WeakPolarHBondContact CB-OE2 3.13Å; P133-E135 PolarHBondContact O-N 3.22Å; E135-E137 PolarHBondContact O-N 3.28Å; E135-E137 VanDerWaalsContact O-N 3.12Å; E135-Y138 HydrophobicContact CB-CD2 4.17Å; E135-Y138 HydrophobicContact CB-CE2 4.34Å; E135-Y138 WeakPolarHBondContact O-CB 3.41Å; E135-Y138 WeakPolarHBondContact O-CD2 3.39Å; E135-Y138 PolarHBondContact O-N 2.84Å; E135-Y138 VanDerWaalsContact O-N 3.08Å; E135-L160 HydrophobicContact CB-CD2 4.43Å; E135-I164 HydrophobicContact CB-CD1 3.93Å; E135-I164 HydrophobicContact CB-CG1 3.85Å; E135-I164 HydrophobicContact CG-CG1 4.31Å
136M97.9Very high97.2Very high0 Ų061.8 Ų61.80%030%0.303CS..Hα-helixtrans-59.9-21.3172-68.2-17961.300112.2M1 M95 I98 I99 M102 L129 A132 P133 E134 Y138 V139 L140 F161 I164M1-M136 HydrophobicContact CE-CG 4.44Å; M1-M136 HydrophobicContact CE-SD 3.72Å; M95-M136 HydrophobicContact CE-CB 4.24Å; M95-M136 HydrophobicContact CE-CE 3.45Å; M95-M136 VanDerWaalsContact CE-CE 3.45Å; I98-M136 HydrophobicContact CG2-CE 4.09Å; I99-M136 HydrophobicContact CD1-CE 4.39Å; I99-M136 HydrophobicContact CG1-CE 3.76Å; M102-M136 HydrophobicContact CE-CE 4.48Å; M102-M136 HydrophobicContact CE-SD 3.93Å; M102-M136 HydrophobicContact SD-SD 3.93Å; L129-M136 HydrophobicContact CD1-CB 3.98Å; L129-M136 HydrophobicContact CD2-CB 3.94Å; L129-M136 HydrophobicContact CD2-CE 4.46Å; A132-M136 HydrophobicContact CB-SD 4.21Å; P133-M136 HydrophobicContact CB-CG 4.4Å; P133-M136 VanDerWaalsContact O-CB 3.31Å; P133-M136 WeakPolarHBondContact O-CB 3.43Å; P133-M136 WeakPolarHBondContact O-CG 3.31Å; P133-M136 PolarHBondContact O-N 3.25Å; E134-M136 PolarHBondContact O-N 2.97Å; E134-M136 VanDerWaalsContact O-N 3.13Å; M136-Y138 PolarHBondContact O-N 3.36Å; M136-V139 WeakPolarHBondContact O-CB 3.17Å; M136-V139 PolarHBondContact O-N 3.08Å; M136-L140 PolarHBondContact O-N 2.68Å; M136-L140 VanDerWaalsContact O-N 3.1Å; M136-F161 HydrophobicContact CG-CE1 4.34Å; M136-I164 HydrophobicContact CG-CD1 3.97Å
137E98.1Very high97.2Very high50 Ų5062.7 Ų62.723%0.23431%0.305CS..Hα-helixtrans-56.3-35.7173.5174.7158.6-149.300112.1N125 Q126 L129 E134 E135 V139 L140 N141N125-E137 HydrophobicContact CB-CG 4.03Å; N125-E137 WeakPolarHBondContact CB-OE1 3.32Å; N125-E137 PolarHBondContact ND2-OE1 3.17Å; N125-E137 VanDerWaalsContact ND2-OE1 3.17Å; Q126-E137 VanDerWaalsContact NE2-CD 3.28Å; Q126-E137 PolarHBondContact NE2-OE1 2.93Å; Q126-E137 PolarHBondContact NE2-OE2 3.21Å; L129-E137 HydrophobicContact CD1-CB 3.88Å; L129-E137 VanDerWaalsContact CD1-N 3.31Å; E134-E137 WeakPolarHBondContact O-CB 3.44Å; E134-E137 PolarHBondContact O-N 3.17Å; E135-E137 PolarHBondContact O-N 3.28Å; E135-E137 VanDerWaalsContact O-N 3.12Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 3.32Å; E137-L140 PolarHBondContact O-N 3.01Å; E137-N141 VanDerWaalsContact CG-ND2 3.28Å; E137-N141 WeakPolarHBondContact CG-ND2 3.31Å; E137-N141 WeakPolarHBondContact O-CB 3.11Å; E137-N141 PolarHBondContact O-N 2.94Å; E137-N141 PolarHBondContact O-ND2 3.41Å
138Y98.3Very high97.2Very high155 Ų15559.9 Ų59.961%0.60829%0.288SS*.Hα-helixtrans-60.2-41.2176.6-65.1-65.8000111.2E135 M136 Y142 L160E135-Y138 HydrophobicContact CB-CD2 4.17Å; E135-Y138 HydrophobicContact CB-CE2 4.34Å; E135-Y138 WeakPolarHBondContact O-CB 3.41Å; E135-Y138 WeakPolarHBondContact O-CD2 3.39Å; E135-Y138 PolarHBondContact O-N 2.84Å; E135-Y138 VanDerWaalsContact O-N 3.08Å; M136-Y138 PolarHBondContact O-N 3.36Å; Y138-Y142 WeakPolarHBondContact O-CB 3.38Å; Y138-Y142 PolarHBondContact O-N 3.12Å; Y138-L160 HydrophobicContact CD2-CD1 4.28Å; Y138-L160 HydrophobicContact CG-CD1 4.32Å
139V98.6Very high97.2Very high1 Ų164.4 Ų64.41%0.00631%0.309CS..Hα-helixtrans-67.3-45.9176-176.30000110.5M95 M136 E137 N141 Y142 L143 W156 I157 L160 F161M95-V139 HydrophobicContact CE-CB 4.01Å; M95-V139 HydrophobicContact CE-CG1 4Å; M95-V139 HydrophobicContact CG-CG1 4.33Å; M95-V139 HydrophobicContact SD-CB 4.31Å; M95-V139 HydrophobicContact SD-CG1 3.66Å; M136-V139 WeakPolarHBondContact O-CB 3.17Å; M136-V139 PolarHBondContact O-N 3.08Å; E137-V139 VanDerWaalsContact C-N 3.29Å; E137-V139 PolarHBondContact O-N 3.32Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 PolarHBondContact O-N 3.41Å; V139-Y142 WeakPolarHBondContact O-CB 3.26Å; V139-Y142 PolarHBondContact O-N 2.78Å; V139-L143 HydrophobicContact CG1-CD1 4.2Å; V139-L143 HydrophobicContact CG1-CG 4.17Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.34Å; V139-W156 HydrophobicContact CG2-CZ3 4.45Å; V139-I157 HydrophobicContact CG1-CD1 4.45Å; V139-I157 HydrophobicContact CG1-CG1 4.29Å; V139-I157 HydrophobicContact CG1-CG2 4Å; V139-I157 HydrophobicContact CG2-CG2 4.22Å; V139-L160 HydrophobicContact CG2-CD1 3.79Å; V139-L160 HydrophobicContact CG2-CD2 3.9Å; V139-L160 HydrophobicContact CG2-CG 4.29Å; V139-F161 HydrophobicContact CG2-CE1 4.09Å
140L98.5Very high97.2Very high0 Ų067.7 Ų67.70%032%0.324CS..Hα-helixtrans-58.7-44.8179.2-62.3-177.3000112.1W92 M95 I99 N125 L128 L129 M136 E137 L143 K144W92-L140 HydrophobicContact CH2-CD2 4.41Å; W92-L140 HydrophobicContact CZ3-CD2 3.84Å; M95-L140 HydrophobicContact CB-CD2 3.95Å; M95-L140 HydrophobicContact CE-CD2 3.74Å; M95-L140 HydrophobicContact CE-CG 4.26Å; M95-L140 HydrophobicContact CG-CD2 4.02Å; I99-L140 HydrophobicContact CD1-CD2 4.35Å; N125-L140 HydrophobicContact CB-CD1 4.1Å; L128-L140 HydrophobicContact CD2-CD1 3.95Å; L129-L140 HydrophobicContact CD1-CD1 3.77Å; L129-L140 HydrophobicContact CD2-CD1 4.1Å; L129-L140 HydrophobicContact CG-CD1 3.93Å; M136-L140 PolarHBondContact O-N 2.68Å; M136-L140 VanDerWaalsContact O-N 3.1Å; E137-L140 PolarHBondContact O-N 3.01Å; L140-L143 PolarHBondContact O-N 3.39Å; L140-K144 WeakPolarHBondContact O-CB 3.33Å; L140-K144 PolarHBondContact O-N 3.22Å
141N98.3Very high97.3Very high73 Ų7366.8 Ų66.839%0.3932%0.32SS..Hα-helixtrans-65.8-39.8177-75.5-32000112.1N125 E137 V139 K144 S145N125-N141 PolarHBondContact ND2-OD1 3.12Å; E137-N141 VanDerWaalsContact CG-ND2 3.28Å; E137-N141 WeakPolarHBondContact CG-ND2 3.31Å; E137-N141 WeakPolarHBondContact O-CB 3.11Å; E137-N141 PolarHBondContact O-N 2.94Å; E137-N141 PolarHBondContact O-ND2 3.41Å; V139-N141 VanDerWaalsContact C-N 3.34Å; V139-N141 PolarHBondContact O-N 3.41Å; N141-K144 PolarHBondContact O-N 2.97Å; N141-S145 PolarHBondContact O-N 3.28Å
142Y98.6Very high97.5Very high43 Ų4361.4 Ų61.417%0.16929%0.292CS..Hα-helixtrans-58.5-53.8172.5170.1-109.9000111.3Y138 V139 K144 S145 M146 P152 H153 W156 I157Y138-Y142 WeakPolarHBondContact O-CB 3.38Å; Y138-Y142 PolarHBondContact O-N 3.12Å; V139-Y142 WeakPolarHBondContact O-CB 3.26Å; V139-Y142 PolarHBondContact O-N 2.78Å; Y142-K144 VanDerWaalsContact C-N 3.27Å; Y142-K144 PolarHBondContact O-N 3.41Å; Y142-S145 WeakPolarHBondContact O-CB 3.2Å; Y142-S145 PolarHBondContact O-N 3.22Å; Y142-S145 PolarHBondContact O-OG 3.3Å; Y142-M146 HydrophobicContact CD1-SD 4.29Å; Y142-M146 HydrophobicContact CE1-CG 4.35Å; Y142-M146 HydrophobicContact CE1-SD 3.6Å; Y142-M146 HydrophobicContact CE2-CG 4.34Å; Y142-M146 HydrophobicContact CE2-SD 4.48Å; Y142-M146 WeakPolarHBondContact O-CG 3.48Å; Y142-M146 PolarHBondContact O-N 3.31Å; Y142-P152 WeakPolarHBondContact OH-CA 3.3Å; Y142-H153 PolarHBondContact OH-N 2.77Å; Y142-W156 HydrophobicContact CD1-CE3 4.04Å; Y142-W156 AromaticContact CD1-CZ3 3.57Å; Y142-W156 HydrophobicContact CD1-CZ3 3.57Å; Y142-W156 HydrophobicContact CD2-CZ3 4.23Å; Y142-W156 HydrophobicContact CE1-CE3 4.38Å; Y142-W156 HydrophobicContact CE1-CZ3 4.34Å; Y142-W156 HydrophobicContact CG-CE3 4.18Å; Y142-W156 HydrophobicContact CG-CH2 4.13Å; Y142-W156 AromaticContact CG-CZ3 3.5Å; Y142-W156 HydrophobicContact CG-CZ3 3.5Å; Y142-W156 VanDerWaalsContact CG-CZ3 3.5Å; Y142-I157 HydrophobicContact CD1-CD1 4.42Å; Y142-I157 HydrophobicContact CD1-CG1 4.47Å; Y142-I157 HydrophobicContact CE1-CD1 4.17Å; Y142-I157 HydrophobicContact CE1-CG1 4.42Å
143L98.5Very high97.7Very high2 Ų266.5 Ų66.51%0.0131%0.312CS..Hα-helixtrans-61-34.6179.8-62.7-175.9000112.5V88 L91 W92 M95 V139 L140 S145 M146 I157V88-L143 HydrophobicContact CG2-CB 4.09Å; V88-L143 HydrophobicContact CG2-CD2 4.08Å; V88-L143 WeakPolarHBondContact CG2-O 3.4Å; L91-L143 HydrophobicContact CB-CD1 4.01Å; L91-L143 HydrophobicContact CB-CD2 3.8Å; L91-L143 HydrophobicContact CD1-CD2 3.91Å; W92-L143 HydrophobicContact CD2-CB 4.28Å; W92-L143 HydrophobicContact CD2-CD1 4.25Å; W92-L143 HydrophobicContact CG-CD1 4.4Å; W92-L143 HydrophobicContact CZ2-CB 3.79Å; M95-L143 HydrophobicContact CG-CD1 3.58Å; V139-L143 HydrophobicContact CG1-CD1 4.2Å; V139-L143 HydrophobicContact CG1-CG 4.17Å; V139-L143 WeakPolarHBondContact O-CG 3.37Å; V139-L143 PolarHBondContact O-N 3.34Å; L140-L143 PolarHBondContact O-N 3.39Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 2.85Å; L143-M146 HydrophobicContact CD2-SD 4Å; L143-M146 PolarHBondContact O-N 2.92Å; L143-I157 HydrophobicContact CD2-CD1 4.37Å
144K97.4Very high97.8Very high149 Ų14965.5 Ų65.565%0.64831%0.305SS*.Hα-helixtrans-64.8-29.5175.6-170.5174.7-175.4171.50112.8W92 L140 N141 Y142W92-K144 HydrophobicContact CZ2-CB 4.04Å; L140-K144 WeakPolarHBondContact O-CB 3.33Å; L140-K144 PolarHBondContact O-N 3.22Å; N141-K144 PolarHBondContact O-N 2.97Å; Y142-K144 VanDerWaalsContact C-N 3.27Å; Y142-K144 PolarHBondContact O-N 3.41Å
145S97.6Very high98Very high81 Ų8166.2 Ų66.257%0.56631%0.306SS*.Hα-helixtrans-81.7-16.6179.876.70000114N141 Y142 L143N141-S145 PolarHBondContact O-N 3.28Å; Y142-S145 WeakPolarHBondContact O-CB 3.2Å; Y142-S145 PolarHBondContact O-N 3.22Å; Y142-S145 PolarHBondContact O-OG 3.3Å; L143-S145 VanDerWaalsContact C-N 3.25Å; L143-S145 PolarHBondContact O-N 2.85Å
146M98.2Very high98.1Very high22 Ų2269 Ų6911%0.10832%0.315CS..  trans-73.8149.5-172.5-69.6-168.372.200113.7V88 Y142 L143 E150 P152V88-M146 HydrophobicContact CB-CB 4.08Å; V88-M146 HydrophobicContact CB-CE 4.42Å; V88-M146 HydrophobicContact CB-SD 4.08Å; V88-M146 HydrophobicContact CG2-CB 3.7Å; V88-M146 HydrophobicContact CG2-CG 4.21Å; V88-M146 HydrophobicContact CG2-SD 3.8Å; Y142-M146 HydrophobicContact CD1-SD 4.29Å; Y142-M146 HydrophobicContact CE1-CG 4.35Å; Y142-M146 HydrophobicContact CE1-SD 3.6Å; Y142-M146 HydrophobicContact CE2-CG 4.34Å; Y142-M146 HydrophobicContact CE2-SD 4.48Å; Y142-M146 WeakPolarHBondContact O-CG 3.48Å; Y142-M146 PolarHBondContact O-N 3.31Å; L143-M146 HydrophobicContact CD2-SD 4Å; L143-M146 PolarHBondContact O-N 2.92Å; M146-E150 VanDerWaalsContact CA-OE2 3.31Å; M146-E150 WeakPolarHBondContact CA-OE2 3.36Å; M146-E150 HydrophobicContact CE-CB 4.07Å; M146-P152 HydrophobicContact CE-CB 3.95Å; M146-P152 HydrophobicContact CE-CG 3.76Å; M146-P152 HydrophobicContact SD-CB 4.31Å; M146-P152 HydrophobicContact SD-CG 4.42Å
147K97.1Very high98.1Very high133 Ų13369.1 Ų69.158%0.57832%0.315SS*.  trans-105.1164.3173.3-59.3174.2-173.1165.70111.7E149 E150K147-E149 VanDerWaalsContact C-N 3.32Å; K147-E149 PolarHBondContact O-N 3.38Å; K147-E150 HydrophobicContact CB-CG 4.07Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 PolarHBondContact O-N 3.31Å
148Y97.3Very high98.1Very high37 Ų3767.5 Ų67.515%0.14531%0.308CS..THydrogen-bonded Turntrans-54.6-43.4-177.6170.8-105.2000113.5I59 R60 P62 E84 A85I59-Y148 HydrophobicContact CG2-CE1 3.88Å; R60-Y148 WeakPolarHBondContact O-CE1 3.31Å; R60-Y148 PolarHBondContact O-OH 3.14Å; P62-Y148 HydrophobicContact CB-CD1 4.24Å; P62-Y148 HydrophobicContact CB-CE1 4.03Å; P62-Y148 HydrophobicContact CG-CD1 4.28Å; P62-Y148 HydrophobicContact CG-CE1 4.29Å; E84-Y148 HydrophobicContact CB-CE2 4.15Å; E84-Y148 HydrophobicContact CG-CD2 4.42Å; E84-Y148 HydrophobicContact CG-CE2 3.55Å; A85-Y148 WeakPolarHBondContact O-CE2 3.31Å
149E96.5Very high98.1Very high102 Ų10262.7 Ų62.748%0.47730%0.297SS..THydrogen-bonded Turntrans-82.5-13.4-174.8-56.680.9-176.800113.6I59 R87 K147I59-E149 HydrophobicContact CG2-CG 4.39Å; R87-E149 PolarHBondContact NH2-O 3.09Å; K147-E149 VanDerWaalsContact C-N 3.32Å; K147-E149 PolarHBondContact O-N 3.38Å
150E97.4Very high98.1Very high80 Ų8063.5 Ų63.537%0.37430%0.301SS..PPolyproline II helixtrans-73.9146.1-173.3-70.6173.5167.200111.5R87 M146 K147R87-E150 PolarHBondContact NE-O 3.14Å; R87-E150 PolarHBondContact NH2-O 3.2Å; M146-E150 VanDerWaalsContact CA-OE2 3.31Å; M146-E150 WeakPolarHBondContact CA-OE2 3.36Å; M146-E150 HydrophobicContact CE-CB 4.07Å; K147-E150 HydrophobicContact CB-CG 4.07Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 PolarHBondContact O-N 3.31Å
151Q98.1Very high98.1Very high126 Ų12663.5 Ų63.559%0.58930%0.301SS*.PPolyproline II helixtrans-90.3123.8173.6179.6171.8-30.300108.6Y154Q151-Y154 HydrophobicContact CG-CE2 4.32Å
152P98.6Very high98.1Very high3 Ų364.2 Ų64.22%0.01930%0.302CS..PPolyproline II helixtrans-60.3145.3174.2-19.327.7000112.8R87 L91 Y142 M146 Y154R87-P152 HydrophobicContact CB-CG 3.82Å; L91-P152 HydrophobicContact CD1-CB 3.35Å; L91-P152 HydrophobicContact CD1-CG 3.5Å; Y142-P152 WeakPolarHBondContact OH-CA 3.3Å; M146-P152 HydrophobicContact CE-CB 3.95Å; M146-P152 HydrophobicContact CE-CG 3.76Å; M146-P152 HydrophobicContact SD-CB 4.31Å; M146-P152 HydrophobicContact SD-CG 4.42Å; P152-Y154 VanDerWaalsContact C-N 3.26Å; P152-Y154 HydrophobicContact CB-CD1 4.1Å; P152-Y154 HydrophobicContact CB-CD2 4.49Å; P152-Y154 HydrophobicContact CB-CE1 3.74Å; P152-Y154 HydrophobicContact CB-CE2 4.17Å; P152-Y154 HydrophobicContact CB-CG 4.45Å; P152-Y154 WeakPolarHBondContact CD-OH 3.21Å; P152-Y154 HydrophobicContact CG-CE1 3.84Å; P152-Y154 HydrophobicContact CG-CE2 4.38Å; P152-Y154 VanDerWaalsContact O-CD2 3.24Å; P152-Y154 WeakPolarHBondContact O-CD2 3.4Å; P152-Y154 WeakPolarHBondContact O-CE2 3.43Å; P152-Y154 PolarHBondContact O-N 3.15Å; P152-Y154 VanDerWaalsContact O-N 3.09Å
153H98.5Very high98.1Very high123 Ų12364.5 Ų64.557%0.56931%0.313SS*.  trans-83.769.6171.6-68-166000109.1Y142 K155 W156 I157Y142-H153 PolarHBondContact OH-N 2.77Å; H153-K155 VanDerWaalsContact C-N 3.3Å; H153-K155 PolarHBondContact O-N 3.34Å; H153-W156 HydrophobicContact CB-CB 3.87Å; H153-W156 WeakPolarHBondContact O-CB 3.39Å; H153-W156 PolarHBondContact O-N 3.2Å; H153-I157 PolarHBondContact O-N 2.69Å
154Y98.8Very high98.1Very high9 Ų964.5 Ų64.54%0.03531%0.313CS..Hα-helixtrans-52-46.7-174.8-54.1-80.6000112.6V8 V11 E12 H15 L91 Q151 P152 W156 I157 I158V8-Y154 HydrophobicContact CG1-CD1 4.25Å; V11-Y154 HydrophobicContact CG1-CE1 4.45Å; E12-Y154 HydrophobicContact CB-CD1 3.83Å; E12-Y154 HydrophobicContact CB-CD2 4.11Å; E12-Y154 HydrophobicContact CB-CE1 4.22Å; E12-Y154 HydrophobicContact CB-CE2 4.47Å; E12-Y154 HydrophobicContact CB-CG 3.79Å; E12-Y154 HydrophobicContact CG-CD1 4.3Å; E12-Y154 HydrophobicContact CG-CD2 3.64Å; E12-Y154 HydrophobicContact CG-CE2 4.05Å; E12-Y154 HydrophobicContact CG-CG 3.79Å; E12-Y154 WeakPolarHBondContact OE1-CD2 3.34Å; E12-Y154 WeakPolarHBondContact OE2-CB 3.48Å; H15-Y154 WeakPolarHBondContact CB-OH 3.37Å; H15-Y154 AromaticContact ND1-CE1 3.69Å; H15-Y154 AromaticContact ND1-CZ 3.59Å; H15-Y154 PolarHBondContact ND1-OH 3.47Å; L91-Y154 HydrophobicContact CD1-CD1 4.4Å; L91-Y154 HydrophobicContact CD1-CE1 4.12Å; L91-Y154 HydrophobicContact CD2-CD1 4.35Å; L91-Y154 HydrophobicContact CD2-CE1 4.35Å; Q151-Y154 HydrophobicContact CG-CE2 4.32Å; P152-Y154 VanDerWaalsContact C-N 3.26Å; P152-Y154 HydrophobicContact CB-CD1 4.1Å; P152-Y154 HydrophobicContact CB-CD2 4.49Å; P152-Y154 HydrophobicContact CB-CE1 3.74Å; P152-Y154 HydrophobicContact CB-CE2 4.17Å; P152-Y154 HydrophobicContact CB-CG 4.45Å; P152-Y154 WeakPolarHBondContact CD-OH 3.21Å; P152-Y154 HydrophobicContact CG-CE1 3.84Å; P152-Y154 HydrophobicContact CG-CE2 4.38Å; P152-Y154 VanDerWaalsContact O-CD2 3.24Å; P152-Y154 WeakPolarHBondContact O-CD2 3.4Å; P152-Y154 WeakPolarHBondContact O-CE2 3.43Å; P152-Y154 PolarHBondContact O-N 3.15Å; P152-Y154 VanDerWaalsContact O-N 3.09Å; Y154-W156 VanDerWaalsContact C-N 3.25Å; Y154-W156 PolarHBondContact O-N 3.27Å; Y154-I157 WeakPolarHBondContact O-CB 3.28Å; Y154-I157 PolarHBondContact O-N 3.32Å; Y154-I157 VanDerWaalsContact O-N 3.08Å; Y154-I158 WeakPolarHBondContact O-CG1 3.38Å; Y154-I158 PolarHBondContact O-N 2.74Å
155K98.6Very high98.1Very high164 Ų16457.6 Ų57.671%0.71328%0.284SS*.Hα-helixtrans-58.1-34.8177-65-173.7178.2-175.60113.7H153 S159H153-K155 VanDerWaalsContact C-N 3.3Å; H153-K155 PolarHBondContact O-N 3.34Å; K155-S159 WeakPolarHBondContact O-CB 3.21Å; K155-S159 PolarHBondContact O-N 3.17Å; K155-S159 PolarHBondContact O-OG 3.29Å
156W98.7Very high98.1Very high97 Ų9761.4 Ų61.437%0.36729%0.292SS..Hα-helixtrans-69.4-42.6176.5173.777.8000110.9V139 Y142 H153 Y154 I158 S159 L160V139-W156 HydrophobicContact CG2-CZ3 4.45Å; Y142-W156 HydrophobicContact CD1-CE3 4.04Å; Y142-W156 AromaticContact CD1-CZ3 3.57Å; Y142-W156 HydrophobicContact CD1-CZ3 3.57Å; Y142-W156 HydrophobicContact CD2-CZ3 4.23Å; Y142-W156 HydrophobicContact CE1-CE3 4.38Å; Y142-W156 HydrophobicContact CE1-CZ3 4.34Å; Y142-W156 HydrophobicContact CG-CE3 4.18Å; Y142-W156 HydrophobicContact CG-CH2 4.13Å; Y142-W156 AromaticContact CG-CZ3 3.5Å; Y142-W156 HydrophobicContact CG-CZ3 3.5Å; Y142-W156 VanDerWaalsContact CG-CZ3 3.5Å; H153-W156 HydrophobicContact CB-CB 3.87Å; H153-W156 WeakPolarHBondContact O-CB 3.39Å; H153-W156 PolarHBondContact O-N 3.2Å; Y154-W156 VanDerWaalsContact C-N 3.25Å; Y154-W156 PolarHBondContact O-N 3.27Å; W156-I158 PolarHBondContact O-N 3.21Å; W156-S159 WeakPolarHBondContact CA-OG 3Å; W156-S159 PolarHBondContact O-N 3.33Å; W156-S159 PolarHBondContact O-OG 2.91Å; W156-L160 HydrophobicContact CH2-CD1 4.15Å; W156-L160 HydrophobicContact CZ2-CD1 4.03Å; W156-L160 PolarHBondContact O-N 2.68Å
157I98.7Very high98Very high2 Ų266.5 Ų66.51%0.0132%0.316CS..Hα-helixtrans-60-47.2174.7-58.1173.3000110.3V8 L91 V139 Y142 L143 H153 Y154 L160 F161V8-I157 HydrophobicContact CG1-CB 4.46Å; V8-I157 HydrophobicContact CG1-CG2 4.41Å; V8-I157 HydrophobicContact CG2-CG2 3.94Å; L91-I157 HydrophobicContact CD1-CD1 3.86Å; L91-I157 HydrophobicContact CD2-CD1 4.43Å; V139-I157 HydrophobicContact CG1-CD1 4.45Å; V139-I157 HydrophobicContact CG1-CG1 4.29Å; V139-I157 HydrophobicContact CG1-CG2 4Å; V139-I157 HydrophobicContact CG2-CG2 4.22Å; Y142-I157 HydrophobicContact CD1-CD1 4.42Å; Y142-I157 HydrophobicContact CD1-CG1 4.47Å; Y142-I157 HydrophobicContact CE1-CD1 4.17Å; Y142-I157 HydrophobicContact CE1-CG1 4.42Å; L143-I157 HydrophobicContact CD2-CD1 4.37Å; H153-I157 PolarHBondContact O-N 2.69Å; Y154-I157 WeakPolarHBondContact O-CB 3.28Å; Y154-I157 PolarHBondContact O-N 3.32Å; Y154-I157 VanDerWaalsContact O-N 3.08Å; I157-L160 WeakPolarHBondContact O-CB 3.44Å; I157-L160 PolarHBondContact O-N 2.84Å; I157-F161 HydrophobicContact CG2-CD2 4.25Å; I157-F161 HydrophobicContact CG2-CE2 3.69Å; I157-F161 HydrophobicContact CG2-CZ 3.84Å; I157-F161 PolarHBondContact O-N 2.84Å; I157-F161 VanDerWaalsContact O-N 3.13Å
158I98.7Very high97.8Very high16 Ų1664.2 Ų64.28%0.08231%0.307CS..Hα-helixtrans-59.4-48.7176.7-68.4165.8000110.6I5 V8 E9 Y154 W156 L160 F161 E162I5-I158 HydrophobicContact CG2-CG2 4.05Å; V8-I158 HydrophobicContact CB-CG1 4.15Å; V8-I158 HydrophobicContact CG1-CD1 4.09Å; V8-I158 HydrophobicContact CG1-CG1 3.81Å; E9-I158 HydrophobicContact CG-CD1 3.73Å; Y154-I158 WeakPolarHBondContact O-CG1 3.38Å; Y154-I158 PolarHBondContact O-N 2.74Å; W156-I158 PolarHBondContact O-N 3.21Å; I158-L160 PolarHBondContact O-N 2.82Å; I158-F161 PolarHBondContact O-N 2.85Å; I158-E162 HydrophobicContact CG2-CG 4.25Å; I158-E162 WeakPolarHBondContact O-CG 3.28Å; I158-E162 PolarHBondContact O-N 3.48Å
159S98.4Very high97.7Very high53 Ų5370.2 Ų70.237%0.37134%0.336SS..Hα-helixtrans-61.5-30-179.769.20000113.4K155 W156 A163K155-S159 WeakPolarHBondContact O-CB 3.21Å; K155-S159 PolarHBondContact O-N 3.17Å; K155-S159 PolarHBondContact O-OG 3.29Å; W156-S159 WeakPolarHBondContact CA-OG 3Å; W156-S159 PolarHBondContact O-N 3.33Å; W156-S159 PolarHBondContact O-OG 2.91Å; S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 2.94Å
160L98.5Very high97.7Very high19 Ų1971.4 Ų71.410%0.09934%0.337CS..Hα-helixtrans-70.1-44.3174.4-171.6155000110.6E135 Y138 V139 W156 I157 I158 E162 A163 I164E135-L160 HydrophobicContact CB-CD2 4.43Å; Y138-L160 HydrophobicContact CD2-CD1 4.28Å; Y138-L160 HydrophobicContact CG-CD1 4.32Å; V139-L160 HydrophobicContact CG2-CD1 3.79Å; V139-L160 HydrophobicContact CG2-CD2 3.9Å; V139-L160 HydrophobicContact CG2-CG 4.29Å; W156-L160 HydrophobicContact CH2-CD1 4.15Å; W156-L160 HydrophobicContact CZ2-CD1 4.03Å; W156-L160 PolarHBondContact O-N 2.68Å; I157-L160 WeakPolarHBondContact O-CB 3.44Å; I157-L160 PolarHBondContact O-N 2.84Å; I158-L160 PolarHBondContact O-N 2.82Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.98Å; L160-A163 WeakPolarHBondContact O-CB 3.44Å; L160-A163 PolarHBondContact O-N 3.32Å; L160-I164 HydrophobicContact CD2-CD1 3.56Å; L160-I164 HydrophobicContact CD2-CG1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 2.92Å
161F98.4Very high97.6Very high0 Ų072.5 Ų72.50%034%0.342CS..Hα-helixtrans-64.8-35.2174.9-64.8-20.5000112.9M1 A4 I5 V8 M95 M136 V139 I157 I158 I164 M165M1-F161 HydrophobicContact CE-CD1 4.34Å; M1-F161 HydrophobicContact CG-CB 4.48Å; M1-F161 HydrophobicContact SD-CB 3.54Å; M1-F161 VanDerWaalsContact SD-CB 3.54Å; M1-F161 HydrophobicContact SD-CD1 3.39Å; M1-F161 WeakPolarHBondContact SD-CD1 3.45Å; M1-F161 HydrophobicContact SD-CD2 4.38Å; M1-F161 HydrophobicContact SD-CE1 4.15Å; M1-F161 HydrophobicContact SD-CG 3.53Å; M1-F161 VanDerWaalsContact SD-CG 3.53Å; A4-F161 HydrophobicContact CB-CD2 3.82Å; A4-F161 HydrophobicContact CB-CE2 3.7Å; A4-F161 HydrophobicContact CB-CG 4.49Å; A4-F161 HydrophobicContact CB-CZ 4.28Å; I5-F161 HydrophobicContact CD1-CB 4.18Å; I5-F161 HydrophobicContact CG1-CB 3.7Å; I5-F161 HydrophobicContact CG1-CD2 4.23Å; I5-F161 HydrophobicContact CG1-CG 4.49Å; V8-F161 HydrophobicContact CG2-CE2 3.85Å; M95-F161 HydrophobicContact CE-CZ 4.39Å; M95-F161 HydrophobicContact SD-CZ 3.85Å; M136-F161 HydrophobicContact CG-CE1 4.34Å; V139-F161 HydrophobicContact CG2-CE1 4.09Å; I157-F161 HydrophobicContact CG2-CD2 4.25Å; I157-F161 HydrophobicContact CG2-CE2 3.69Å; I157-F161 HydrophobicContact CG2-CZ 3.84Å; I157-F161 PolarHBondContact O-N 2.84Å; I157-F161 VanDerWaalsContact O-N 3.13Å; I158-F161 PolarHBondContact O-N 2.85Å; F161-I164 HydrophobicContact CD1-CD1 4.25Å; F161-I164 PolarHBondContact O-N 2.91Å; F161-M165 WeakPolarHBondContact O-CG 3.48Å; F161-M165 PolarHBondContact O-N 2.5Å
162E98.2Very high97.4Very high87 Ų8772 Ų7241%0.40734%0.34SS..Hα-helixtrans-64.8-41.2171.3-70.1175156.300111.6I5 I158 L160 M165 Q166I5-E162 HydrophobicContact CD1-CG 3.93Å; I158-E162 HydrophobicContact CG2-CG 4.25Å; I158-E162 WeakPolarHBondContact O-CG 3.28Å; I158-E162 PolarHBondContact O-N 3.48Å; L160-E162 VanDerWaalsContact C-N 3.32Å; L160-E162 PolarHBondContact O-N 2.98Å; E162-M165 WeakPolarHBondContact O-CB 3.35Å; E162-M165 PolarHBondContact O-N 2.87Å; E162-Q166 PolarHBondContact O-N 3.48Å
163A98.1Very high97.1Very high50 Ų5077.5 Ų77.541%0.41337%0.369SS..Hα-helixtrans-62.6-42.7175.400000112.1S159 L160 M165 Q166 E167S159-A163 WeakPolarHBondContact O-CB 3.31Å; S159-A163 PolarHBondContact O-N 2.94Å; L160-A163 WeakPolarHBondContact O-CB 3.44Å; L160-A163 PolarHBondContact O-N 3.32Å; A163-M165 VanDerWaalsContact C-N 3.31Å; A163-M165 PolarHBondContact O-N 2.97Å; A163-Q166 PolarHBondContact O-N 2.72Å; A163-E167 PolarHBondContact O-N 3.19Å
164I97.6Very high97Very high2 Ų274 Ų741%0.0136%0.355CS..Hα-helixtrans-59.2-43.4172.7-66.3167.5000110.2M1 P133 E135 M136 L160 F161 Q166 E167 H168M1-I164 HydrophobicContact CG-CB 4.03Å; M1-I164 HydrophobicContact CG-CG2 3.68Å; M1-I164 HydrophobicContact SD-CB 4.48Å; M1-I164 HydrophobicContact SD-CD1 4.15Å; M1-I164 HydrophobicContact SD-CG2 4.41Å; P133-I164 HydrophobicContact CB-CD1 4.06Å; P133-I164 HydrophobicContact CB-CG1 4.41Å; P133-I164 HydrophobicContact CB-CG2 3.76Å; P133-I164 HydrophobicContact CG-CG2 3.74Å; E135-I164 HydrophobicContact CB-CD1 3.93Å; E135-I164 HydrophobicContact CB-CG1 3.85Å; E135-I164 HydrophobicContact CG-CG1 4.31Å; M136-I164 HydrophobicContact CG-CD1 3.97Å; L160-I164 HydrophobicContact CD2-CD1 3.56Å; L160-I164 HydrophobicContact CD2-CG1 4.22Å; L160-I164 WeakPolarHBondContact O-CG1 3.37Å; L160-I164 PolarHBondContact O-N 2.92Å; F161-I164 HydrophobicContact CD1-CD1 4.25Å; F161-I164 PolarHBondContact O-N 2.91Å; I164-Q166 VanDerWaalsContact C-N 3.33Å; I164-Q166 PolarHBondContact O-N 3.38Å; I164-E167 PolarHBondContact O-N 3.47Å; I164-H168 PolarHBondContact O-CD2 2.87Å; I164-H168 VanDerWaalsContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.41Å; I164-H168 VanDerWaalsContact O-N 3.16Å
165M97.8Very high96.7Very high4 Ų476 Ų762%0.0237%0.369CS..Hα-helixtrans-60.2-44.4176.2-75.9-178.751.200112.1M1 R2 I5 F161 E162 A163 H168 E169 Y170M1-M165 HydrophobicContact CB-CG 3.33Å; M1-M165 HydrophobicContact CB-SD 3.76Å; M1-M165 HydrophobicContact CG-CG 4.02Å; R2-M165 HydrophobicContact CG-CE 3.51Å; R2-M165 HydrophobicContact CG-SD 3.63Å; I5-M165 HydrophobicContact CD1-SD 3.72Å; F161-M165 WeakPolarHBondContact O-CG 3.48Å; F161-M165 PolarHBondContact O-N 2.5Å; E162-M165 WeakPolarHBondContact O-CB 3.35Å; E162-M165 PolarHBondContact O-N 2.87Å; A163-M165 VanDerWaalsContact C-N 3.31Å; A163-M165 PolarHBondContact O-N 2.97Å; M165-H168 CarbonylContact O-C 3.57Å; M165-H168 PolarHBondContact O-N 3.21Å; M165-E169 PolarHBondContact O-N 3.36Å; M165-E169 VanDerWaalsContact O-N 3.1Å; M165-Y170 PolarHBondContact O-N 3.28Å
166Q97.1Very high96.6Very high160 Ų16068.8 Ų68.875%0.74834%0.337SS*.Hα-helixtrans-62.9-43.1179.4-175.2179-1.900112.1E162 A163 I164 H168 E169E162-Q166 PolarHBondContact O-N 3.48Å; A163-Q166 PolarHBondContact O-N 2.72Å; I164-Q166 VanDerWaalsContact C-N 3.33Å; I164-Q166 PolarHBondContact O-N 3.38Å; Q166-H168 VanDerWaalsContact C-N 3.32Å; Q166-H168 PolarHBondContact O-N 3.01Å; Q166-E169 PolarHBondContact O-N 2.74Å
167E96.3Very high96.3Very high130 Ų13070.4 Ų70.461%0.60735%0.353SS*.Hα-helixtrans-63.7-37179.2179.3163.4-16800112.7A163 I164 E169A163-E167 PolarHBondContact O-N 3.19Å; I164-E167 PolarHBondContact O-N 3.47Å; E167-E169 VanDerWaalsContact C-N 3.34Å
168H94.2Very high96.1Very high84 Ų8473 Ų7339%0.38936%0.362SS..THydrogen-bonded Turntrans-92.611.9177.5-70-80.6000114.1I164 M165 Q166 Y170I164-H168 PolarHBondContact O-CD2 2.87Å; I164-H168 VanDerWaalsContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.41Å; I164-H168 VanDerWaalsContact O-N 3.16Å; M165-H168 CarbonylContact O-C 3.57Å; M165-H168 PolarHBondContact O-N 3.21Å; Q166-H168 VanDerWaalsContact C-N 3.32Å; Q166-H168 PolarHBondContact O-N 3.01Å; H168-Y170 HydrophobicContact CB-CD2 3.53Å; H168-Y170 HydrophobicContact CB-CE1 4.47Å; H168-Y170 HydrophobicContact CB-CE2 3.27Å; H168-Y170 HydrophobicContact CB-CG 4.25Å; H168-Y170 AromaticContact CG-CE2 3.94Å; H168-Y170 PolarHBondContact O-N 2.99Å; H168-Y170 VanDerWaalsContact O-N 3.12Å
169E95.6Very high95.8Very high164 Ų16472.3 Ų72.377%0.76636%0.359SS*.THydrogen-bonded Turntrans58.619.2179.6-54.3-174.914700115.1M165 Q166 E167 Q171M165-E169 PolarHBondContact O-N 3.36Å; M165-E169 VanDerWaalsContact O-N 3.1Å; Q166-E169 PolarHBondContact O-N 2.74Å; E167-E169 VanDerWaalsContact C-N 3.34Å; E169-Q171 PolarHBondContact O-NE2 3.06Å
170Y95.1Very high95.6Very high126 Ų12672.6 Ų72.649%0.49436%0.356SS..  trans-74133.7176.6-59.7-45.8000111.5M165 H168M165-Y170 PolarHBondContact O-N 3.28Å; H168-Y170 HydrophobicContact CB-CD2 3.53Å; H168-Y170 HydrophobicContact CB-CE1 4.47Å; H168-Y170 HydrophobicContact CB-CE2 3.27Å; H168-Y170 HydrophobicContact CB-CG 4.25Å; H168-Y170 AromaticContact CG-CE2 3.94Å; H168-Y170 PolarHBondContact O-N 2.99Å; H168-Y170 VanDerWaalsContact O-N 3.12Å
171Q95.5Very high95.4Very high103 Ų10375.4 Ų75.448%0.48138%0.375SS..  trans-101.8153.9177.4-53.6-56.3-60.400111.4R2 E169 D173 D174R2-Q171 WeakPolarHBondContact CD-O 3.25Å; E169-Q171 PolarHBondContact O-NE2 3.06Å; Q171-D173 VanDerWaalsContact C-N 3.25Å; Q171-D173 VanDerWaalsContact CB-OD1 3.24Å; Q171-D173 WeakPolarHBondContact CB-OD1 3.28Å; Q171-D173 PolarHBondContact O-N 3.2Å; Q171-D174 PolarHBondContact N-OD2 2.73Å; Q171-D174 WeakPolarHBondContact O-CB 3.25Å; Q171-D174 PolarHBondContact O-N 2.75Å
172H93.9Very high95Very high117 Ų11779.4 Ų79.454%0.54239%0.393SS..THydrogen-bonded Turntrans-64.7-30.1177.3-77.4-86.1000113.2
173D93.5Very high94.7Very high117 Ų11778.8 Ų78.863%0.62639%0.392SS*.THydrogen-bonded Turntrans-93.2-0.3-177.664.8-27.3000114.2Q171Q171-D173 VanDerWaalsContact C-N 3.25Å; Q171-D173 VanDerWaalsContact CB-OD1 3.24Å; Q171-D173 WeakPolarHBondContact CB-OD1 3.28Å; Q171-D173 PolarHBondContact O-N 3.2Å
174D94.5Very high94.3Very high51 Ų5183 Ų8327%0.27340%0.401SS..SBendtrans-51.2144.4171.5-78.7-24.1000110.8R2 Q171 Y176R2-D174 VanDerWaalsContact CZ-O 3.28Å; R2-D174 PolarHBondContact NH1-O 3.26Å; R2-D174 PolarHBondContact NH2-O 3.21Å; Q171-D174 PolarHBondContact N-OD2 2.73Å; Q171-D174 WeakPolarHBondContact O-CB 3.25Å; Q171-D174 PolarHBondContact O-N 2.75Å; D174-Y176 PolarHBondContact O-N 2.71Å
175P94.1Very high94Very high50 Ų5089.7 Ų89.733%0.32543%0.43SS..PPolyproline II helixtrans-61.8139.3173.726.2-32.9000110.9R2 Q179 I180 L183R2-P175 PolarHBondContact NH2-O 3.21Å; P175-Q179 HydrophobicContact CB-CB 4.1Å; P175-I180 HydrophobicContact CB-CG1 4.35Å; P175-I180 HydrophobicContact CG-CG1 4.43Å; P175-L183 HydrophobicContact CB-CD1 3.48Å; P175-L183 VanDerWaalsContact CB-CD1 3.48Å; P175-L183 HydrophobicContact CG-CD1 3.95Å
176Y95.2Very high93.6Very high13 Ų1395.7 Ų95.75%0.05146%0.456CS..PPolyproline II helixtrans-71.8161.8163.9-72.2-80.4000110.7R2 I3 Q6 R39 D174 W178 Q179 I180R2-Y176 HydrophobicContact CB-CE1 3.91Å; R2-Y176 WeakPolarHBondContact CB-OH 3.43Å; R2-Y176 VanDerWaalsContact NH1-CE2 3.32Å; R2-Y176 VanDerWaalsContact NH1-CZ 3.34Å; I3-Y176 HydrophobicContact CD1-CE1 4.45Å; I3-Y176 HydrophobicContact CG1-CD1 4.24Å; I3-Y176 HydrophobicContact CG1-CE1 3.71Å; Q6-Y176 PolarHBondContact NE2-OH 2.76Å; R39-Y176 HydrophobicContact CB-CE2 4.11Å; R39-Y176 HydrophobicContact CG-CD2 4.33Å; R39-Y176 HydrophobicContact CG-CE2 4.16Å; D174-Y176 PolarHBondContact O-N 2.71Å; Y176-W178 VanDerWaalsContact C-N 3.25Å; Y176-W178 AromaticContact CD1-CH2 3.33Å; Y176-W178 HydrophobicContact CD1-CH2 3.33Å; Y176-W178 AromaticContact CD1-CZ2 3.56Å; Y176-W178 HydrophobicContact CD1-CZ2 3.56Å; Y176-W178 HydrophobicContact CD1-CZ3 4Å; Y176-W178 HydrophobicContact CD2-CH2 4.23Å; Y176-W178 AromaticContact CD2-CZ2 3.56Å; Y176-W178 HydrophobicContact CD2-CZ2 3.56Å; Y176-W178 AromaticContact CE1-CH2 3.92Å; Y176-W178 HydrophobicContact CE1-CH2 3.92Å; Y176-W178 HydrophobicContact CE1-CZ2 4.18Å; Y176-W178 HydrophobicContact CE2-CZ2 4.2Å; Y176-W178 HydrophobicContact CG-CD2 4.4Å; Y176-W178 AromaticContact CG-CE2 3.69Å; Y176-W178 AromaticContact CG-CH2 3.52Å; Y176-W178 HydrophobicContact CG-CH2 3.52Å; Y176-W178 AromaticContact CG-CZ2 3.2Å; Y176-W178 HydrophobicContact CG-CZ2 3.2Å; Y176-W178 HydrophobicContact CG-CZ3 4.22Å; Y176-W178 PolarHBondContact O-N 2.93Å; Y176-Q179 WeakPolarHBondContact O-CA 3.49Å; Y176-Q179 WeakPolarHBondContact O-CB 3.35Å; Y176-Q179 PolarHBondContact O-N 2.71Å; Y176-I180 PolarHBondContact O-N 3.27Å
177D93.6Very high93.2Very high130 Ų13093.1 Ų93.170%0.69544%0.444SS*.G310 helixtrans-56.7-39.1-176.9-62.6-26.3000112.6Q179 I180 P181D177-Q179 VanDerWaalsContact C-N 3.26Å; D177-Q179 PolarHBondContact O-N 3.4Å; D177-I180 PolarHBondContact O-N 2.76Å; D177-P181 WeakPolarHBondContact O-CD 3.38Å
178W93.2Very high92.8Very high56 Ų5689.5 Ų89.521%0.21243%0.433CS..G310 helixtrans-67.6-21.8175.656.386.1000113.6I3 I31 A38 I41 Y176 P181 F182I3-W178 HydrophobicContact CD1-CH2 3.89Å; I3-W178 HydrophobicContact CD1-CZ3 3.89Å; I3-W178 HydrophobicContact CG1-CH2 4.31Å; I31-W178 HydrophobicContact CD1-CD2 4Å; I31-W178 HydrophobicContact CD1-CG 3.97Å; I31-W178 HydrophobicContact CD1-CZ2 4.49Å; I31-W178 HydrophobicContact CG2-CH2 4.07Å; I31-W178 HydrophobicContact CG2-CZ2 3.77Å; A38-W178 PolarHBondContact O-NE1 3.17Å; A38-W178 VanDerWaalsContact O-NE1 3.1Å; I41-W178 HydrophobicContact CD1-CH2 4.01Å; I41-W178 HydrophobicContact CD1-CZ2 4.32Å; Y176-W178 VanDerWaalsContact C-N 3.25Å; Y176-W178 AromaticContact CD1-CH2 3.33Å; Y176-W178 HydrophobicContact CD1-CH2 3.33Å; Y176-W178 AromaticContact CD1-CZ2 3.56Å; Y176-W178 HydrophobicContact CD1-CZ2 3.56Å; Y176-W178 HydrophobicContact CD1-CZ3 4Å; Y176-W178 HydrophobicContact CD2-CH2 4.23Å; Y176-W178 AromaticContact CD2-CZ2 3.56Å; Y176-W178 HydrophobicContact CD2-CZ2 3.56Å; Y176-W178 AromaticContact CE1-CH2 3.92Å; Y176-W178 HydrophobicContact CE1-CH2 3.92Å; Y176-W178 HydrophobicContact CE1-CZ2 4.18Å; Y176-W178 HydrophobicContact CE2-CZ2 4.2Å; Y176-W178 HydrophobicContact CG-CD2 4.4Å; Y176-W178 AromaticContact CG-CE2 3.69Å; Y176-W178 AromaticContact CG-CH2 3.52Å; Y176-W178 HydrophobicContact CG-CH2 3.52Å; Y176-W178 AromaticContact CG-CZ2 3.2Å; Y176-W178 HydrophobicContact CG-CZ2 3.2Å; Y176-W178 HydrophobicContact CG-CZ3 4.22Å; Y176-W178 PolarHBondContact O-N 2.93Å; W178-P181 WeakPolarHBondContact O-CD 3.5Å; W178-F182 WeakPolarHBondContact O-CD2 3.47Å; W178-F182 WeakPolarHBondContact O-CE2 3.5Å
179Q94Very high92.4Very high3 Ų389.6 Ų89.61%0.01444%0.436CS..G310 helixtrans-82.2-26.2178.2-63-179.2-45.900112.6E35 A38 P175 Y176 D177 F182 L183E35-Q179 WeakPolarHBondContact O-CG 3.44Å; A38-Q179 PolarHBondContact O-NE2 3.14Å; P175-Q179 HydrophobicContact CB-CB 4.1Å; Y176-Q179 WeakPolarHBondContact O-CA 3.49Å; Y176-Q179 WeakPolarHBondContact O-CB 3.35Å; Y176-Q179 PolarHBondContact O-N 2.71Å; D177-Q179 VanDerWaalsContact C-N 3.26Å; D177-Q179 PolarHBondContact O-N 3.4Å; Q179-F182 PolarHBondContact O-N 2.79Å; Q179-F182 VanDerWaalsContact O-N 3.15Å; Q179-L183 PolarHBondContact O-N 2.79Å; Q179-L183 VanDerWaalsContact O-N 3.14Å
180I93.6Very high91.7Very high58 Ų5887.2 Ų87.230%0.29742%0.424SS..Hα-helixtrans-56.5-45.6-174.2-64.3173.8000112.7P175 Y176 D177 F182 L183 K184P175-I180 HydrophobicContact CB-CG1 4.35Å; P175-I180 HydrophobicContact CG-CG1 4.43Å; Y176-I180 PolarHBondContact O-N 3.27Å; D177-I180 PolarHBondContact O-N 2.76Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 2.53Å; I180-L183 PolarHBondContact O-N 3.23Å; I180-K184 HydrophobicContact CG2-CD 3.94Å; I180-K184 VanDerWaalsContact CG2-CE 3.48Å; I180-K184 HydrophobicContact CG2-CG 4.29Å; I180-K184 WeakPolarHBondContact O-CG 3.26Å; I180-K184 PolarHBondContact O-N 3.39Å
181P92.9Very high90.9Very high78 Ų7888.8 Ų88.851%0.50643%0.434SS..Hα-helixtrans-57.7-39.4177.7-26.235.8000113.6D177 W178 K185D177-P181 WeakPolarHBondContact O-CD 3.38Å; W178-P181 WeakPolarHBondContact O-CD 3.5Å; P181-K185 WeakPolarHBondContact O-CB 3.46Å; P181-K185 PolarHBondContact O-N 3.47Å; P181-K185 VanDerWaalsContact O-N 3.08Å
182F92Very high89.8Confident85 Ų8591.2 Ų91.237%0.37345%0.445SS..Hα-helixtrans-69.9-39.8180-59.1-85.5000111.9E35 A36 W178 Q179 I180 K185 K186E35-F182 HydrophobicContact CB-CE2 3.68Å; E35-F182 HydrophobicContact CB-CZ 3.86Å; E35-F182 WeakPolarHBondContact OE2-CZ 3.47Å; A36-F182 HydrophobicContact CB-CB 4.01Å; A36-F182 HydrophobicContact CB-CD1 3.95Å; A36-F182 HydrophobicContact CB-CD2 4.28Å; A36-F182 HydrophobicContact CB-CG 3.82Å; W178-F182 WeakPolarHBondContact O-CD2 3.47Å; W178-F182 WeakPolarHBondContact O-CE2 3.5Å; Q179-F182 PolarHBondContact O-N 2.79Å; Q179-F182 VanDerWaalsContact O-N 3.15Å; I180-F182 VanDerWaalsContact C-N 3.3Å; I180-F182 PolarHBondContact O-N 2.53Å; F182-K185 PolarHBondContact O-N 3.09Å; F182-K186 PolarHBondContact O-N 3.26Å
183L89.9Confident88.5Confident73 Ų7394.1 Ų94.138%0.38246%0.456SS..Hα-helixtrans-64.4-47.5175.6-67.7175.3000111.6P175 Q179 I180 K185 K186 E187P175-L183 HydrophobicContact CB-CD1 3.48Å; P175-L183 VanDerWaalsContact CB-CD1 3.48Å; P175-L183 HydrophobicContact CG-CD1 3.95Å; Q179-L183 PolarHBondContact O-N 2.79Å; Q179-L183 VanDerWaalsContact O-N 3.14Å; I180-L183 PolarHBondContact O-N 3.23Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.42Å; L183-K186 WeakPolarHBondContact O-CB 3.23Å; L183-K186 PolarHBondContact O-N 3.08Å; L183-E187 WeakPolarHBondContact O-CG 3.41Å; L183-E187 PolarHBondContact O-N 3.23Å
184K91.5Very high86.6Confident139 Ų13997 Ų9760%0.60446%0.463SS*.Hα-helixtrans-57.9-39.8175.5-73179178.3174.60112.1I180 S188I180-K184 HydrophobicContact CG2-CD 3.94Å; I180-K184 VanDerWaalsContact CG2-CE 3.48Å; I180-K184 HydrophobicContact CG2-CG 4.29Å; I180-K184 WeakPolarHBondContact O-CG 3.26Å; I180-K184 PolarHBondContact O-N 3.39Å; K184-S188 PolarHBondContact O-N 3.35Å; K184-S188 VanDerWaalsContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 2.89Å
185K91.1Very high84.8Confident143 Ų143100 Ų10062%0.62249%0.486SS*.Hα-helixtrans-66.6-39175.5-173.3177.8179.7-179.60112.4P181 F182 L183 S188 L189P181-K185 WeakPolarHBondContact O-CB 3.46Å; P181-K185 PolarHBondContact O-N 3.47Å; P181-K185 VanDerWaalsContact O-N 3.08Å; F182-K185 PolarHBondContact O-N 3.09Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.42Å; K185-S188 PolarHBondContact O-OG 3.27Å; K185-L189 HydrophobicContact CG-CD1 4.31Å; K185-L189 VanDerWaalsContact O-CG 3.28Å; K185-L189 WeakPolarHBondContact O-CG 3.43Å; K185-L189 PolarHBondContact O-N 3.33Å
186K88.3Confident83.1Confident130 Ų130104.8 Ų104.857%0.56551%0.509SS*.Hα-helixtrans-64.9-42.6176.3-170.9-179.8-180-179.20111.4F182 L183 L189 Q190F182-K186 PolarHBondContact O-N 3.26Å; L183-K186 WeakPolarHBondContact O-CB 3.23Å; L183-K186 PolarHBondContact O-N 3.08Å; K186-L189 PolarHBondContact O-N 3.11Å; K186-Q190 WeakPolarHBondContact O-CG 3.44Å; K186-Q190 PolarHBondContact O-N 3.44Å
187E88.9Confident81.3Confident106 Ų106109.7 Ų109.750%0.49554%0.544SS..Hα-helixtrans-64.4-42.2177.2-70.8178173.300112.8L183 Q190 K191L183-E187 WeakPolarHBondContact O-CG 3.41Å; L183-E187 PolarHBondContact O-N 3.23Å; E187-Q190 PolarHBondContact O-N 3.23Å; E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 3.01Å
188S88.9Confident79.2Confident54 Ų54109.2 Ų109.238%0.37855%0.546SS..Hα-helixtrans-64.6-41.2178.467.10000112K184 K185 Q190 K191 Q192K184-S188 PolarHBondContact O-N 3.35Å; K184-S188 VanDerWaalsContact O-N 3.07Å; K184-S188 PolarHBondContact O-OG 2.89Å; K185-S188 PolarHBondContact O-OG 3.27Å; S188-Q190 VanDerWaalsContact C-N 3.34Å; S188-Q190 PolarHBondContact O-N 3.4Å; S188-K191 PolarHBondContact O-N 3.35Å; S188-Q192 WeakPolarHBondContact O-CG 3.18Å; S188-Q192 PolarHBondContact O-N 2.96Å; S188-Q192 VanDerWaalsContact O-N 3.17Å
189L85.3Confident77.4Confident86 Ų86112.1 Ų112.145%0.4557%0.574SS.*Hα-helixtrans-64.9-34.7174.5-70.3170000112.8K185 K186 K193K185-L189 HydrophobicContact CG-CD1 4.31Å; K185-L189 VanDerWaalsContact O-CG 3.28Å; K185-L189 WeakPolarHBondContact O-CG 3.43Å; K185-L189 PolarHBondContact O-N 3.33Å; K186-L189 PolarHBondContact O-N 3.11Å; L189-K193 WeakPolarHBondContact O-CG 3.32Å; L189-K193 PolarHBondContact O-N 3.23Å
190Q80.1Confident75.2Confident113 Ų113119 Ų11953%0.52861%0.609SS.*Hα-helixtrans-70.4-39176-75.4176.6-1.600112.4K186 E187 S188 Q192 K193K186-Q190 WeakPolarHBondContact O-CG 3.44Å; K186-Q190 PolarHBondContact O-N 3.44Å; E187-Q190 PolarHBondContact O-N 3.23Å; S188-Q190 VanDerWaalsContact C-N 3.34Å; S188-Q190 PolarHBondContact O-N 3.4Å; Q190-Q192 VanDerWaalsContact C-N 3.32Å; Q190-Q192 PolarHBondContact O-N 3.23Å; Q190-K193 PolarHBondContact O-N 2.85Å
191K79.5Confident73.4Confident159 Ų159125 Ų12569%0.69164%0.636SS**Hα-helixtrans-63.2-38.6175.5-73.2175-178.51740111.9E187 S188 K193 K194E187-K191 WeakPolarHBondContact O-CG 3.25Å; E187-K191 PolarHBondContact O-N 3.01Å; S188-K191 PolarHBondContact O-N 3.35Å; K191-K193 VanDerWaalsContact C-N 3.28Å; K191-K193 PolarHBondContact O-N 3.38Å; K191-K194 PolarHBondContact O-N 2.85Å
192Q72.3Confident71.6Confident155 Ų155129.3 Ų129.372%0.72468%0.678SS**Hα-helixtrans-69.1-22.9176.5-70.71763.600113.9S188 Q190S188-Q192 WeakPolarHBondContact O-CG 3.18Å; S188-Q192 PolarHBondContact O-N 2.96Å; S188-Q192 VanDerWaalsContact O-N 3.17Å; Q190-Q192 VanDerWaalsContact C-N 3.32Å; Q190-Q192 PolarHBondContact O-N 3.23Å
193K65.4Low70.6Confident177 Ų177131.5 Ų131.577%0.7769%0.693SS**THydrogen-bonded Turntrans-88.9-3.8-179.7-75.9-174.6-178.9-1740114.6L189 Q190 K191 P195L189-K193 WeakPolarHBondContact O-CG 3.32Å; L189-K193 PolarHBondContact O-N 3.23Å; Q190-K193 PolarHBondContact O-N 2.85Å; K191-K193 VanDerWaalsContact C-N 3.28Å; K191-K193 PolarHBondContact O-N 3.38Å; K193-P195 WeakPolarHBondContact O-CD 3.48Å
194K54.8Low69.6Low178 Ų178134.6 Ų134.677%0.77471%0.709SS**SBendtrans-84.8103.6167.9-76.3-172.7176.4-177.90107.9K191K191-K194 PolarHBondContact O-N 2.85Å
195P56.3Low68.3Low114 Ų114134.3 Ų134.374%0.7472%0.715SS**  trans-65.2143.3173.229.8-33.3000108.5K193 S197K193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-S197 PolarHBondContact O-N 2.63Å
196D58.6Low67Low151 Ų151133.8 Ų133.881%0.80772%0.721SS**  trans-46.3117.8167.9-69-41.2000108V198D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 3Å
197S56.6Low65.7Low115 Ų115134.1 Ų134.180%0.80473%0.73SS**  trans-60100.3168.653.10000106.4P195 C199P195-S197 PolarHBondContact O-N 2.63Å; S197-C199 PolarHBondContact O-N 2.77Å
198V51.3Low64.1Low121 Ų121135.9 Ų135.973%0.73375%0.746SS**  trans-57.4106.2171.2177.20000106.3D196 I200D196-V198 VanDerWaalsContact C-N 3.27Å; D196-V198 PolarHBondContact O-N 3Å; V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 HydrophobicContact CG1-CG1 3.99Å; V198-I200 PolarHBondContact O-N 3.38Å
199C53.7Low62.3Low117 Ų117141.8 Ų141.879%0.79177%0.772SS**  trans-6994.7167.8-133.60000106.4S197 Q201S197-C199 PolarHBondContact O-N 2.77Å; C199-Q201 PolarHBondContact O-N 3.49Å
200I49.5Very low60.6Low148 Ų148146.1 Ų146.176%0.75980%0.797SS**  trans-74.699.4164.8-57.9176000105.5V198V198-I200 VanDerWaalsContact C-N 3.31Å; V198-I200 HydrophobicContact CG1-CG1 3.99Å; V198-I200 PolarHBondContact O-N 3.38Å
201Q53.9Low59Low184 Ų184148.8 Ų148.886%0.8682%0.819SS**  trans-76.6117.4160.6-71.9-175-4200107.4C199C199-Q201 PolarHBondContact O-N 3.49Å
202A55.7Low57.1Low167 Ų167147.9 Ų147.9100%1.3883%0.831SS**  trans-100.70161.100000108.8

Retrieved 202 of 202 residues in 84.6 ms (Link to these results)

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