A0A3Q0KRX2_SCHMA Loading...

USP6 N-terminal-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KRX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 884 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
1M32.6Very low48.2Very low204 Ų204126.3 Ų126.3100%1.00563%0.632SS**  0660-66.2-178.8-178.600109.4
2F33.2Very low50.4Low201 Ų201124.2 Ų124.288%0.88262%0.624SS**  trans-133.366.4169.6-78.9-72.7000106.8
3E37.3Very low52.8Low179 Ų179116.4 Ų116.484%0.83658%0.584SS**  trans-80.4117.5166.6-72.3171.1129.600106.8N5E3-N5 PolarHBondContact O-N 2.68Å
4N46.7Very low55.2Low115 Ų115109.6 Ų109.662%0.61555%0.55SS**  trans-67.3118.8-175.2-69.6-33.4000109.2V6N4-V6 HydrophobicContact CB-CG2 4.28Å; N4-V6 PolarHBondContact O-N 2.81Å
5N43Very low57.2Low169 Ų169108.1 Ų108.190%0.90455%0.545SS*.  trans-76.947.6177.8-99.4-87.7000112.1E3E3-N5 PolarHBondContact O-N 2.68Å
6V48.6Very low59.1Low50 Ų50105.3 Ų105.330%0.30353%0.528SS..  trans-80.3128.2166.6-177.90000106.7N4 V10 E11N4-V6 HydrophobicContact CB-CG2 4.28Å; N4-V6 PolarHBondContact O-N 2.81Å; V6-V10 HydrophobicContact CG1-CB 3.74Å; V6-V10 HydrophobicContact CG1-CG1 3.79Å; V6-E11 HydrophobicContact CB-CG 4.31Å; V6-E11 HydrophobicContact CG1-CG 3.65Å
7K50.9Low60.8Low147 Ų14799.1 Ų99.164%0.63950%0.497SS*.  trans-68142.2176.8-68.1-177.9176.9-176.30109.2D9 V10K7-D9 PolarHBondContact O-N 3.46Å; K7-D9 VanDerWaalsContact O-N 3.08Å; K7-V10 HydrophobicContact CB-CG2 4.19Å; K7-V10 VanDerWaalsContact O-CB 3.29Å; K7-V10 WeakPolarHBondContact O-CB 3.08Å; K7-V10 PolarHBondContact O-N 3.4Å
8P53Low62.2Low82 Ų8296.8 Ų96.853%0.53249%0.486SS..Hα-helixtrans-59-27.8-176.822.3-33.6000113.3V10 N12P8-V10 PolarHBondContact O-N 3.16Å; P8-N12 WeakPolarHBondContact O-CB 3.48Å; P8-N12 PolarHBondContact O-N 2.98Å; P8-N12 PolarHBondContact O-ND2 2.94Å
9D60.9Low63.2Low121 Ų12195.8 Ų95.865%0.64748%0.482SS*.Hα-helixtrans-59.3-27.6173.3-52.5-53.8000113.4K7K7-D9 PolarHBondContact O-N 3.46Å; K7-D9 VanDerWaalsContact O-N 3.08Å
10V61Low63.6Low18 Ų1892.9 Ų92.911%0.10947%0.47CS..Hα-helixtrans-83.3-46-174.4178.90000111V6 K7 P8 N12 F13 I14 N150V6-V10 HydrophobicContact CG1-CB 3.74Å; V6-V10 HydrophobicContact CG1-CG1 3.79Å; K7-V10 HydrophobicContact CB-CG2 4.19Å; K7-V10 VanDerWaalsContact O-CB 3.29Å; K7-V10 WeakPolarHBondContact O-CB 3.08Å; K7-V10 PolarHBondContact O-N 3.4Å; P8-V10 PolarHBondContact O-N 3.16Å; V10-N12 PolarHBondContact O-N 2.78Å; V10-F13 HydrophobicContact CB-CE1 4.07Å; V10-F13 HydrophobicContact CG1-CE1 3.82Å; V10-F13 HydrophobicContact CG1-CZ 4.02Å; V10-F13 HydrophobicContact CG2-CE1 4.31Å; V10-F13 WeakPolarHBondContact O-CD1 3.44Å; V10-F13 PolarHBondContact O-N 2.9Å; V10-F13 VanDerWaalsContact O-N 3.16Å; V10-I14 HydrophobicContact CG1-CD1 3.74Å; V10-I14 HydrophobicContact CG1-CG1 4.46Å; V10-I14 WeakPolarHBondContact O-CG1 3.12Å; V10-I14 PolarHBondContact O-N 2.89Å; V10-I14 VanDerWaalsContact O-N 3.11Å; V10-N150 WeakPolarHBondContact CG2-OD1 3.29Å
11E63.6Low63.7Low103 Ų10397.2 Ų97.248%0.48149%0.486SS..Hα-helixtrans-56.1-44.5173.1-56.3-176.714100110.3V6 F13 I14 D15V6-E11 HydrophobicContact CB-CG 4.31Å; V6-E11 HydrophobicContact CG1-CG 3.65Å; E11-F13 PolarHBondContact O-N 3.29Å; E11-I14 PolarHBondContact O-N 2.87Å; E11-I14 VanDerWaalsContact O-N 3.13Å; E11-D15 PolarHBondContact O-N 3.46Å; E11-D15 VanDerWaalsContact O-N 3.08Å
12N74.1Confident65Low101 Ų10191.6 Ų91.654%0.5447%0.471SS..Hα-helixtrans-56.7-19.6178-91.2-68.6000115.7P8 V10 K16P8-N12 WeakPolarHBondContact O-CB 3.48Å; P8-N12 PolarHBondContact O-N 2.98Å; P8-N12 PolarHBondContact O-ND2 2.94Å; V10-N12 PolarHBondContact O-N 2.78Å; N12-K16 WeakPolarHBondContact O-CE 3.27Å; N12-K16 PolarHBondContact O-NZ 3.35Å
13F82Confident66Low23 Ų2383.7 Ų83.710%0.10144%0.441CS..Hα-helixtrans-106.5-29171.780.3-105.1000113.2V10 E11 D15 K16 Y17 L149 N150 D153 F178V10-F13 HydrophobicContact CB-CE1 4.07Å; V10-F13 HydrophobicContact CG1-CE1 3.82Å; V10-F13 HydrophobicContact CG1-CZ 4.02Å; V10-F13 HydrophobicContact CG2-CE1 4.31Å; V10-F13 WeakPolarHBondContact O-CD1 3.44Å; V10-F13 PolarHBondContact O-N 2.9Å; V10-F13 VanDerWaalsContact O-N 3.16Å; E11-F13 PolarHBondContact O-N 3.29Å; F13-D15 VanDerWaalsContact C-N 3.29Å; F13-D15 PolarHBondContact O-N 2.71Å; F13-K16 WeakPolarHBondContact O-CB 3.4Å; F13-K16 PolarHBondContact O-N 3.08Å; F13-Y17 HydrophobicContact CD2-CD2 4.09Å; F13-Y17 AromaticContact CD2-CE2 3.92Å; F13-Y17 HydrophobicContact CD2-CE2 3.92Å; F13-Y17 HydrophobicContact CE2-CE2 4.46Å; F13-Y17 PolarHBondContact O-N 3.22Å; F13-L149 HydrophobicContact CE2-CB 4.49Å; F13-L149 HydrophobicContact CZ-CB 4.19Å; F13-N150 WeakPolarHBondContact CE1-OD1 3.43Å; F13-N150 WeakPolarHBondContact CZ-OD1 3.25Å; F13-D153 HydrophobicContact CD2-CB 4.05Å; F13-D153 HydrophobicContact CE2-CB 3.8Å; F13-D153 HydrophobicContact CZ-CB 4.22Å; F13-F178 HydrophobicContact CD2-CE2 4.43Å; F13-F178 AromaticContact CE2-CE2 3.75Å; F13-F178 HydrophobicContact CE2-CE2 3.75Å; F13-F178 AromaticContact CE2-CZ 3.83Å; F13-F178 HydrophobicContact CE2-CZ 3.83Å
14I85.9Confident66.4Low21 Ų2178.2 Ų78.211%0.10843%0.433CS..Hα-helixtrans-58.1-45174.2-69.9167.9000110.1V10 E11 K16 Y17 I18 L143 L149 F178V10-I14 HydrophobicContact CG1-CD1 3.74Å; V10-I14 HydrophobicContact CG1-CG1 4.46Å; V10-I14 WeakPolarHBondContact O-CG1 3.12Å; V10-I14 PolarHBondContact O-N 2.89Å; V10-I14 VanDerWaalsContact O-N 3.11Å; E11-I14 PolarHBondContact O-N 2.87Å; E11-I14 VanDerWaalsContact O-N 3.13Å; I14-K16 PolarHBondContact O-N 3.24Å; I14-K16 VanDerWaalsContact O-N 3.13Å; I14-Y17 PolarHBondContact O-N 3.22Å; I14-I18 HydrophobicContact CG2-CG1 4.01Å; I14-I18 WeakPolarHBondContact O-CG1 3.2Å; I14-I18 PolarHBondContact O-N 2.94Å; I14-L143 HydrophobicContact CG2-CD2 3.82Å; I14-L149 HydrophobicContact CD1-CD1 3.54Å; I14-L149 HydrophobicContact CG1-CD1 4.19Å; I14-F178 HydrophobicContact CG1-CZ 4.34Å
15D85.8Confident66.4Low88 Ų8876.8 Ų76.847%0.47143%0.426SS..Hα-helixtrans-58.7-27.4176.4-92.8-35.5000113.5E11 F13 N19E11-D15 PolarHBondContact O-N 3.46Å; E11-D15 VanDerWaalsContact O-N 3.08Å; F13-D15 VanDerWaalsContact C-N 3.29Å; F13-D15 PolarHBondContact O-N 2.71Å; D15-N19 CarbonylContact O-C 3.37Å; D15-N19 VanDerWaalsContact O-CA 3.29Å; D15-N19 WeakPolarHBondContact O-CA 3.4Å; D15-N19 WeakPolarHBondContact O-CB 3.49Å; D15-N19 PolarHBondContact O-N 2.79Å; D15-N19 PolarHBondContact OD1-ND2 2.9Å
16K86.8Confident66.3Low63 Ų6379.5 Ų79.527%0.27442%0.423SS..Hα-helixtrans-73.9-26.8177-57.1-176.6175105.70112.5N12 F13 I14 P20 Y170N12-K16 WeakPolarHBondContact O-CE 3.27Å; N12-K16 PolarHBondContact O-NZ 3.35Å; F13-K16 WeakPolarHBondContact O-CB 3.4Å; F13-K16 PolarHBondContact O-N 3.08Å; I14-K16 PolarHBondContact O-N 3.24Å; I14-K16 VanDerWaalsContact O-N 3.13Å; K16-P20 WeakPolarHBondContact O-CA 3.39Å; K16-P20 WeakPolarHBondContact O-CB 3.29Å; K16-Y170 HydrophobicContact CB-CD1 3.52Å; K16-Y170 HydrophobicContact CB-CD2 4.28Å; K16-Y170 HydrophobicContact CB-CE1 3.6Å; K16-Y170 HydrophobicContact CB-CE2 4.35Å; K16-Y170 HydrophobicContact CB-CG 3.89Å; K16-Y170 HydrophobicContact CD-CD2 4.27Å; K16-Y170 HydrophobicContact CD-CE1 4Å; K16-Y170 HydrophobicContact CD-CE2 3.68Å; K16-Y170 HydrophobicContact CG-CE1 4.42Å
17Y87.7Confident66Low0 Ų080.6 Ų80.60%043%0.43CS..Hα-helixtrans-89.8-30175.2-69.1-61.6000114F13 I14 D153 V156 Y170 C175 F178 R179F13-Y17 HydrophobicContact CD2-CD2 4.09Å; F13-Y17 AromaticContact CD2-CE2 3.92Å; F13-Y17 HydrophobicContact CD2-CE2 3.92Å; F13-Y17 HydrophobicContact CE2-CE2 4.46Å; F13-Y17 PolarHBondContact O-N 3.22Å; I14-Y17 PolarHBondContact O-N 3.22Å; Y17-D153 HydrophobicContact CE2-CB 4.36Å; Y17-D153 WeakPolarHBondContact CE2-OD1 3.39Å; Y17-D153 VanDerWaalsContact CZ-OD1 3.24Å; Y17-D153 PolarHBondContact OH-OD1 3.05Å; Y17-V156 HydrophobicContact CE1-CG1 4.07Å; Y17-Y170 AromaticContact CD1-CD1 3.78Å; Y17-Y170 HydrophobicContact CD1-CD1 3.78Å; Y17-Y170 HydrophobicContact CD2-CD1 4.37Å; Y17-Y170 HydrophobicContact CD2-CE1 4.39Å; Y17-Y170 AromaticContact CE1-CD1 3.53Å; Y17-Y170 HydrophobicContact CE1-CD1 3.53Å; Y17-Y170 HydrophobicContact CE1-CE1 4.08Å; Y17-Y170 HydrophobicContact CE2-CD1 4.15Å; Y17-Y170 AromaticContact CE2-CE1 3.93Å; Y17-Y170 HydrophobicContact CE2-CE1 3.93Å; Y17-Y170 HydrophobicContact CG-CD1 4.21Å; Y17-Y170 AromaticContact CZ-CD1 3.72Å; Y17-Y170 AromaticContact CZ-CE1 3.76Å; Y17-C175 HydrophobicContact CD1-CB 4.3Å; Y17-C175 WeakPolarHBondContact O-CB 3.25Å; Y17-F178 HydrophobicContact CD1-CB 3.74Å; Y17-F178 HydrophobicContact CD1-CG 4.03Å; Y17-F178 HydrophobicContact CD2-CB 4.05Å; Y17-F178 AromaticContact CD2-CD1 3.63Å; Y17-F178 HydrophobicContact CD2-CD1 3.63Å; Y17-F178 AromaticContact CD2-CD2 3.42Å; Y17-F178 HydrophobicContact CD2-CD2 3.42Å; Y17-F178 VanDerWaalsContact CD2-CD2 3.42Å; Y17-F178 AromaticContact CD2-CE1 3.87Å; Y17-F178 HydrophobicContact CD2-CE1 3.87Å; Y17-F178 AromaticContact CD2-CE2 3.71Å; Y17-F178 HydrophobicContact CD2-CE2 3.71Å; Y17-F178 AromaticContact CD2-CG 3.39Å; Y17-F178 HydrophobicContact CD2-CG 3.39Å; Y17-F178 AromaticContact CD2-CZ 3.91Å; Y17-F178 HydrophobicContact CD2-CZ 3.91Å; Y17-F178 HydrophobicContact CE1-CB 3.99Å; Y17-F178 HydrophobicContact CE1-CD2 4.49Å; Y17-F178 HydrophobicContact CE1-CG 4.34Å; Y17-F178 HydrophobicContact CE2-CB 4.28Å; Y17-F178 HydrophobicContact CE2-CD1 4.41Å; Y17-F178 AromaticContact CE2-CD2 3.35Å; Y17-F178 HydrophobicContact CE2-CD2 3.35Å; Y17-F178 AromaticContact CE2-CE2 3.72Å; Y17-F178 HydrophobicContact CE2-CE2 3.72Å; Y17-F178 AromaticContact CE2-CG 3.75Å; Y17-F178 HydrophobicContact CE2-CG 3.75Å; Y17-F178 HydrophobicContact CE2-CZ 4.37Å; Y17-F178 HydrophobicContact CG-CB 3.77Å; Y17-F178 AromaticContact CG-CD1 3.68Å; Y17-F178 HydrophobicContact CG-CD1 3.68Å; Y17-F178 HydrophobicContact CG-CD2 4.05Å; Y17-F178 HydrophobicContact CG-CE1 4.3Å; Y17-F178 AromaticContact CG-CG 3.54Å; Y17-F178 HydrophobicContact CG-CG 3.54Å; Y17-F178 AromaticContact CZ-CD2 3.94Å; Y17-R179 PolarHBondContact O-NH1 3.33Å
18I86.7Confident65.2Low57 Ų5780 Ų8029%0.29243%0.434SS..Hα-helixtrans-84.8-43.9177.6-57.4-51.9000111.1I14 P20 L143 R179I14-I18 HydrophobicContact CG2-CG1 4.01Å; I14-I18 WeakPolarHBondContact O-CG1 3.2Å; I14-I18 PolarHBondContact O-N 2.94Å; I18-P20 VanDerWaalsContact O-CD 3.27Å; I18-P20 WeakPolarHBondContact O-CD 3.5Å; I18-L143 HydrophobicContact CD1-CD1 3.64Å; I18-L143 HydrophobicContact CD1-CD2 3.88Å; I18-L143 HydrophobicContact CD1-CG 4.42Å; I18-L143 HydrophobicContact CG1-CD1 4.09Å; I18-L143 HydrophobicContact CG1-CD2 4.14Å; I18-R179 HydrophobicContact CD1-CG 3.96Å
19N81.3Confident64.7Low78 Ų7879 Ų7942%0.41742%0.423SS..  trans-119.752.5-175.6-61.1-56.5000112.9D15 K21 A22 S23D15-N19 CarbonylContact O-C 3.37Å; D15-N19 VanDerWaalsContact O-CA 3.29Å; D15-N19 WeakPolarHBondContact O-CA 3.4Å; D15-N19 WeakPolarHBondContact O-CB 3.49Å; D15-N19 PolarHBondContact O-N 2.79Å; D15-N19 PolarHBondContact OD1-ND2 2.9Å; N19-K21 PolarHBondContact O-N 3.01Å; N19-A22 HydrophobicContact CB-CB 4.06Å; N19-A22 PolarHBondContact O-N 2.84Å; N19-S23 PolarHBondContact O-N 2.99Å; N19-S23 PolarHBondContact O-OG 2.75Å
20P70.8Confident63.4Low38 Ų3875.4 Ų75.425%0.24741%0.407CS..THydrogen-bonded Turntrans-58.7-24.2-174.423.5-34.3000114.2K16 I18 S23K16-P20 WeakPolarHBondContact O-CA 3.39Å; K16-P20 WeakPolarHBondContact O-CB 3.29Å; I18-P20 VanDerWaalsContact O-CD 3.27Å; I18-P20 WeakPolarHBondContact O-CD 3.5Å; P20-S23 WeakPolarHBondContact CA-OG 3.38Å; P20-S23 PolarHBondContact O-OG 2.94Å
21K65.3Low62.4Low184 Ų18480 Ų8080%0.843%0.431SS*.THydrogen-bonded Turntrans-78-22.7175.7-67.2-174.3177.4-177.70113.9N19N19-K21 PolarHBondContact O-N 3.01Å
22A59.7Low61.1Low85 Ų8581 Ų8170%0.70244%0.44SS*.THydrogen-bonded Turntrans-88-32.4179.100000111.9N19 G24N19-A22 HydrophobicContact CB-CB 4.06Å; N19-A22 PolarHBondContact O-N 2.84Å; A22-G24 PolarHBondContact O-N 2.97Å
23S54.3Low59.7Low35 Ų3580.6 Ų80.625%0.24544%0.438CS..SBendtrans-75.228.8-174.655.20000115.4N19 P20 N25N19-S23 PolarHBondContact O-N 2.99Å; N19-S23 PolarHBondContact O-OG 2.75Å; P20-S23 WeakPolarHBondContact CA-OG 3.38Å; P20-S23 PolarHBondContact O-OG 2.94Å; S23-N25 PolarHBondContact O-N 3.26Å
24G45.9Very low58Low65 Ų6582.8 Ų82.867%0.6745%0.448SS*.SBendtrans71.8-15.9171.200000116.6A22 R26A22-G24 PolarHBondContact O-N 2.97Å; G24-R26 PolarHBondContact O-N 3.02Å
25N47.6Very low56.1Low85 Ų8587.5 Ų87.546%0.45547%0.472SS..  trans-72.765-179.6-80.2-1.7000113.1S23 V27S23-N25 PolarHBondContact O-N 3.26Å; N25-V27 PolarHBondContact O-N 2.8Å
26R40Very low54.2Low226 Ų22689.1 Ų89.185%0.85348%0.481SS*.  trans-67.390.9149.2-75.4-169.6179.9-167.71.5107.7G24 N28G24-R26 PolarHBondContact O-N 3.02Å; R26-N28 VanDerWaalsContact C-N 3.33Å; R26-N28 PolarHBondContact O-N 2.79Å
27V43.6Very low52.9Low73 Ų7386.5 Ų86.544%0.44247%0.47SS..  trans-62.5104.1156.7-177.70000105.5N25 I29N25-V27 PolarHBondContact O-N 2.8Å; V27-I29 VanDerWaalsContact C-N 3.27Å; V27-I29 HydrophobicContact CG1-CG1 4.28Å; V27-I29 PolarHBondContact O-N 3.44Å
28N33.9Very low51.7Low135 Ų13590 Ų9072%0.72249%0.494SS*.  trans-65.498.2163.3-83.7-4.2000106.2R26 S30R26-N28 VanDerWaalsContact C-N 3.33Å; R26-N28 PolarHBondContact O-N 2.79Å; N28-S30 PolarHBondContact O-N 3.13Å
29I41.1Very low50.8Low59 Ų5994.2 Ų94.230%0.30351%0.513SS..  trans-67.291.5161.4-59.2123.6000104.8V27 V836V27-I29 VanDerWaalsContact C-N 3.27Å; V27-I29 HydrophobicContact CG1-CG1 4.28Å; V27-I29 PolarHBondContact O-N 3.44Å; I29-V836 HydrophobicContact CB-CG2 4.49Å; I29-V836 HydrophobicContact CD1-CG2 3.6Å; I29-V836 HydrophobicContact CG1-CG2 3.62Å; I29-V836 HydrophobicContact CG2-CG2 4.16Å
30S33.7Very low50.4Low46 Ų4692.2 Ų92.232%0.32250%0.502SS..  trans-72.8124.5169.534.90000106.8N28 D32 L33N28-S30 PolarHBondContact O-N 3.13Å; S30-D32 PolarHBondContact O-N 3.04Å; S30-L33 WeakPolarHBondContact O-CB 3.33Å; S30-L33 PolarHBondContact O-N 2.82Å
31D39.9Very low50.8Low115 Ų11593.3 Ų93.362%0.61550%0.501SS*.Hα-helixtrans-56.7-25.5179.5-55.5-59.8000111.5L33 E34D31-L33 PolarHBondContact O-N 3.27Å; D31-L33 VanDerWaalsContact O-N 3.13Å; D31-E34 PolarHBondContact O-N 3.08Å
32D37.5Very low51.7Low124 Ų12485.3 Ų85.366%0.66347%0.467SS*.Hα-helixtrans-51.1-28.4170.5-55.4-51.9000114.4S30S30-D32 PolarHBondContact O-N 3.04Å
33L45.2Very low52.7Low93 Ų9383.7 Ų83.749%0.48744%0.443SS..Hα-helixtrans-81.3-33.3176.3-73173.8000112.8S30 D31 I35 D37S30-L33 WeakPolarHBondContact O-CB 3.33Å; S30-L33 PolarHBondContact O-N 2.82Å; D31-L33 PolarHBondContact O-N 3.27Å; D31-L33 VanDerWaalsContact O-N 3.13Å; L33-I35 VanDerWaalsContact C-N 3.32Å; L33-I35 PolarHBondContact O-N 3.42Å; L33-D37 WeakPolarHBondContact O-CB 3.32Å; L33-D37 VanDerWaalsContact O-CG 3.26Å; L33-D37 PolarHBondContact O-N 2.85Å; L33-D37 VanDerWaalsContact O-N 3.16Å
34E45.8Very low54Low68 Ų6882.9 Ų82.932%0.31844%0.435SS..Hα-helixtrans-70.2-29.8-175.5-64.4-153152.900112.4D31 S38 V836D31-E34 PolarHBondContact O-N 3.08Å; E34-S38 PolarHBondContact O-N 3.13Å; E34-V836 PolarHBondContact OE1-N 3.11Å
35I45.1Very low55.7Low121 Ų12180.1 Ų80.162%0.62141%0.407SS*.Hα-helixtrans-66.9-59.1179.5-57.8176.4000111L33 D37 S38L33-I35 VanDerWaalsContact C-N 3.32Å; L33-I35 PolarHBondContact O-N 3.42Å; I35-D37 VanDerWaalsContact C-N 3.34Å; I35-D37 PolarHBondContact O-N 2.83Å; I35-S38 WeakPolarHBondContact O-CB 3.36Å; I35-S38 PolarHBondContact O-N 3.04Å; I35-S38 PolarHBondContact O-OG 3.02Å
36N46.4Very low57.4Low122 Ų12277.4 Ų77.465%0.65239%0.391SS*.Hα-helixtrans-72.6-24.6-176.5-72.6-44.3000113.6S38 N40N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 3.16Å; N36-N40 PolarHBondContact O-ND2 3.2Å
37D59.3Low59.3Low8 Ų869.4 Ų69.44%0.04336%0.361CS..Hα-helixtrans-69-26.5173.9-88.9-9.2000112.5L33 I35 E39 N40 R41 Y47 R167L33-D37 WeakPolarHBondContact O-CB 3.32Å; L33-D37 VanDerWaalsContact O-CG 3.26Å; L33-D37 PolarHBondContact O-N 2.85Å; L33-D37 VanDerWaalsContact O-N 3.16Å; I35-D37 VanDerWaalsContact C-N 3.34Å; I35-D37 PolarHBondContact O-N 2.83Å; D37-E39 PolarHBondContact O-N 3.13Å; D37-N40 CarbonylContact O-C 3.57Å; D37-N40 WeakPolarHBondContact O-CA 3.29Å; D37-N40 PolarHBondContact O-N 2.92Å; D37-R41 WeakPolarHBondContact O-CG 3.09Å; D37-R41 PolarHBondContact O-N 3.02Å; D37-R41 VanDerWaalsContact O-N 3.17Å; D37-R41 IonicContact OD2-CZ 3.76Å; D37-R41 IonicContact OD2-NE 3.85Å; D37-R41 IonicContact OD2-NH2 3.49Å; D37-R41 PolarHBondContact OD2-NH2 2.77Å; D37-Y47 HydrophobicContact CB-CE2 4.47Å; D37-Y47 WeakPolarHBondContact OD1-CE2 3.4Å; D37-R167 IonicContact OD1-CZ 3.71Å; D37-R167 IonicContact OD1-NH1 2.9Å; D37-R167 PolarHBondContact OD1-NH1 2.95Å; D37-R167 IonicContact OD1-NH2 2.64Å; D37-R167 PolarHBondContact OD1-NH2 3.38Å; D37-R167 VanDerWaalsContact OD1-NH2 3.1Å; D37-R167 IonicContact OD2-CZ 2.74Å; D37-R167 IonicContact OD2-NH1 3.69Å; D37-R167 PolarHBondContact OD2-NH1 3.43Å; D37-R167 IonicContact OD2-NH2 3.1Å
38S62.5Low60.9Low73 Ų7368 Ų6851%0.5135%0.349SS..Hα-helixtrans-62.3-40.6-169.5680000113.6E34 I35 N36 N40 R41E34-S38 PolarHBondContact O-N 3.13Å; I35-S38 WeakPolarHBondContact O-CB 3.36Å; I35-S38 PolarHBondContact O-N 3.04Å; I35-S38 PolarHBondContact O-OG 3.02Å; N36-S38 VanDerWaalsContact C-N 3.27Å; N36-S38 PolarHBondContact O-N 3.16Å; S38-N40 PolarHBondContact O-N 3.05Å; S38-R41 PolarHBondContact O-N 2.82Å
39E67.3Low62.8Low146 Ų14666 Ų6668%0.68234%0.344SS*.THydrogen-bonded Turntrans-72-17.3175.6-58.1-164.4157.100113.6D37D37-E39 PolarHBondContact O-N 3.13Å
40N73Confident64.5Low36 Ų3671.1 Ų71.119%0.19337%0.372CS..THydrogen-bonded Turntrans-101.11.4-177.2-67.5-65.2000112.7N36 D37 S38 Y47 H48 G51N36-N40 PolarHBondContact O-ND2 3.2Å; D37-N40 CarbonylContact O-C 3.57Å; D37-N40 WeakPolarHBondContact O-CA 3.29Å; D37-N40 PolarHBondContact O-N 2.92Å; S38-N40 PolarHBondContact O-N 3.05Å; N40-Y47 HydrophobicContact CB-CD2 3.96Å; N40-Y47 HydrophobicContact CB-CE2 3.54Å; N40-Y47 CarbonylContact O-C 3.5Å; N40-Y47 WeakPolarHBondContact O-CA 3.49Å; N40-H48 PolarHBondContact O-N 3.43Å; N40-H48 PolarHBondContact OD1-O 2.97Å; N40-G51 VanDerWaalsContact OD1-CA 3.3Å; N40-G51 WeakPolarHBondContact OD1-CA 3.39Å; N40-G51 PolarHBondContact OD1-N 2.76Å; N40-G51 VanDerWaalsContact OD1-N 3.16Å
41R80.6Confident66.6Low60 Ų6069.4 Ų69.423%0.22636%0.361CS..BIsolated β-bridgetrans-104.7135.2176.1-70.3166.4-174.2-177.19.9110.6D37 S38 F46 Y47 V164D37-R41 WeakPolarHBondContact O-CG 3.09Å; D37-R41 PolarHBondContact O-N 3.02Å; D37-R41 VanDerWaalsContact O-N 3.17Å; D37-R41 IonicContact OD2-CZ 3.76Å; D37-R41 IonicContact OD2-NE 3.85Å; D37-R41 IonicContact OD2-NH2 3.49Å; D37-R41 PolarHBondContact OD2-NH2 2.77Å; S38-R41 PolarHBondContact O-N 2.82Å; R41-F46 CarbonylContact C-O 3.58Å; R41-F46 WeakPolarHBondContact CA-O 3.49Å; R41-Y47 HydrophobicContact CG-CD2 4.33Å; R41-V164 HydrophobicContact CG-CG1 4.12Å
42D82.4Confident68.4Low16 Ų1664.7 Ų64.79%0.08634%0.336CS..  trans-83176.7172.373.321000113.6Y44 G45 F46 H48 L52D42-Y44 PolarHBondContact O-N 3.22Å; D42-Y44 WeakPolarHBondContact OD1-CA 3.49Å; D42-Y44 PolarHBondContact OD1-N 3.41Å; D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 3.25Å; D42-G45 VanDerWaalsContact OD1-N 3.1Å; D42-F46 PolarHBondContact N-O 2.76Å; D42-F46 PolarHBondContact OD1-N 2.86Å; D42-F46 WeakPolarHBondContact OD2-CB 3.35Å; D42-H48 IonicContact OD2-CD2 2.71Å; D42-H48 IonicContact OD2-CE1 3.47Å; D42-H48 IonicContact OD2-NE2 3.45Å; D42-H48 PolarHBondContact OD2-NE2 3.23Å; D42-L52 HydrophobicContact CB-CD1 3.95Å; D42-L52 HydrophobicContact CB-CD2 4.09Å; D42-L52 HydrophobicContact CB-CG 4.46Å
43Y81.6Confident70.6Confident51 Ų5162.5 Ų62.520%0.233%0.327CS..THydrogen-bonded Turntrans-53.8-25.3179.6-171.3-137.9000115.1E60 R64 D67 D111Y43-E60 WeakPolarHBondContact CB-OE1 3.37Å; Y43-E60 PolarHBondContact N-OE1 3.16Å; Y43-R64 HydrophobicContact CD1-CG 4.03Å; Y43-R64 HydrophobicContact CD2-CG 3.87Å; Y43-R64 VanDerWaalsContact CD2-CZ 3.47Å; Y43-R64 HydrophobicContact CE1-CG 4.22Å; Y43-R64 HydrophobicContact CE2-CG 4.09Å; Y43-R64 HydrophobicContact CG-CG 3.86Å; Y43-D67 HydrophobicContact CE1-CB 4.5Å; Y43-D67 PolarHBondContact OH-OD2 2.99Å; Y43-D111 HydrophobicContact CE1-CB 4.47Å
44Y81.1Confident72.4Confident19 Ų1965.9 Ų65.98%0.07534%0.338CS..THydrogen-bonded Turntrans-101.11.7-178.7-53.5-73.6000112.6D42 D111 V287 T288 L291D42-Y44 PolarHBondContact O-N 3.22Å; D42-Y44 WeakPolarHBondContact OD1-CA 3.49Å; D42-Y44 PolarHBondContact OD1-N 3.41Å; Y44-D111 WeakPolarHBondContact CD1-OD1 3.07Å; Y44-D111 HydrophobicContact CE1-CB 4.34Å; Y44-V287 HydrophobicContact CD2-CG1 4.1Å; Y44-T288 HydrophobicContact CE2-CG2 3.7Å; Y44-L291 HydrophobicContact CD1-CD1 3.36Å; Y44-L291 HydrophobicContact CD2-CD1 4.33Å; Y44-L291 HydrophobicContact CE1-CD1 3.5Å; Y44-L291 HydrophobicContact CE2-CD1 4.46Å; Y44-L291 HydrophobicContact CG-CD1 3.8Å
45G81.2Confident74.1Confident7 Ų767.8 Ų67.87%0.07235%0.345CS..SBendtrans82.721.6179.200000114.3D42 T163 V164D42-G45 PolarHBondContact O-N 3.39Å; D42-G45 PolarHBondContact OD1-N 3.25Å; D42-G45 VanDerWaalsContact OD1-N 3.1Å; G45-T163 WeakPolarHBondContact O-CA 3.28Å; G45-V164 WeakPolarHBondContact O-CG2 3.34Å; G45-V164 PolarHBondContact O-N 3.18Å
46F83.3Confident75.9Confident27 Ų2765.3 Ų65.312%0.11833%0.331CS..BIsolated β-bridgetrans-86135.1169.8-65.4-111.8000109.4R41 D42 H48 T163 V287R41-F46 CarbonylContact C-O 3.58Å; R41-F46 WeakPolarHBondContact CA-O 3.49Å; D42-F46 PolarHBondContact N-O 2.76Å; D42-F46 PolarHBondContact OD1-N 2.86Å; D42-F46 WeakPolarHBondContact OD2-CB 3.35Å; F46-H48 PolarHBondContact O-CD2 3.45Å; F46-H48 VanDerWaalsContact O-CD2 3.24Å; F46-T163 HydrophobicContact CD1-CG2 3.53Å; F46-T163 HydrophobicContact CD2-CG2 4.06Å; F46-T163 HydrophobicContact CE1-CG2 3.34Å; F46-T163 HydrophobicContact CE2-CG2 3.87Å; F46-T163 HydrophobicContact CG-CG2 3.88Å; F46-T163 HydrophobicContact CZ-CG2 3.52Å; F46-V287 HydrophobicContact CD2-CG2 4.23Å; F46-V287 HydrophobicContact CE1-CG2 4.47Å; F46-V287 HydrophobicContact CE2-CG2 3.64Å; F46-V287 HydrophobicContact CZ-CG2 3.77Å
47Y80.2Confident77.7Confident58 Ų5865.9 Ų65.923%0.22732%0.324CS..BIsolated β-bridgetrans-91.3126.3-179.5-177.5-94.4000110.6D37 N40 R41 P49 N162D37-Y47 HydrophobicContact CB-CE2 4.47Å; D37-Y47 WeakPolarHBondContact OD1-CE2 3.4Å; N40-Y47 HydrophobicContact CB-CD2 3.96Å; N40-Y47 HydrophobicContact CB-CE2 3.54Å; N40-Y47 CarbonylContact O-C 3.5Å; N40-Y47 WeakPolarHBondContact O-CA 3.49Å; R41-Y47 HydrophobicContact CG-CD2 4.33Å; Y47-P49 HydrophobicContact CD1-CG 4.03Å; Y47-P49 HydrophobicContact CE1-CB 4.05Å; Y47-P49 HydrophobicContact CE1-CG 3.89Å; Y47-N162 WeakPolarHBondContact CB-O 3.28Å; Y47-N162 PolarHBondContact N-O 2.85Å
48H78.8Confident79Confident44 Ų4470.7 Ų70.720%0.20435%0.348CS..  trans-112.2103.6-179.5-63.3-83.6000107.8N40 D42 F46 N50 G51N40-H48 PolarHBondContact O-N 3.43Å; N40-H48 PolarHBondContact OD1-O 2.97Å; D42-H48 IonicContact OD2-CD2 2.71Å; D42-H48 IonicContact OD2-CE1 3.47Å; D42-H48 IonicContact OD2-NE2 3.45Å; D42-H48 PolarHBondContact OD2-NE2 3.23Å; F46-H48 PolarHBondContact O-CD2 3.45Å; F46-H48 VanDerWaalsContact O-CD2 3.24Å; H48-N50 PolarHBondContact O-N 2.98Å; H48-G51 WeakPolarHBondContact O-CA 3.46Å; H48-G51 PolarHBondContact O-N 2.64Å
49P73Confident80Confident93 Ų9369.2 Ų69.260%0.60434%0.337SS*.THydrogen-bonded Turntrans-60.9-20-169.8-26.334.2000116Y47Y47-P49 HydrophobicContact CD1-CG 4.03Å; Y47-P49 HydrophobicContact CE1-CB 4.05Å; Y47-P49 HydrophobicContact CE1-CG 3.89Å
50N77.2Confident80.8Confident166 Ų16663.8 Ų63.889%0.88831%0.311SS*.THydrogen-bonded Turntrans-104.111.4178.7-58.3-9.7000111.8H48H48-N50 PolarHBondContact O-N 2.98Å
51G77Confident81.4Confident10 Ų1064.1 Ų64.110%0.10332%0.316CS..  trans68.3171.3-162.800000113.1N40 H48N40-G51 VanDerWaalsContact OD1-CA 3.3Å; N40-G51 WeakPolarHBondContact OD1-CA 3.39Å; N40-G51 PolarHBondContact OD1-N 2.76Å; N40-G51 VanDerWaalsContact OD1-N 3.16Å; H48-G51 WeakPolarHBondContact O-CA 3.46Å; H48-G51 PolarHBondContact O-N 2.64Å
52L78.5Confident81.8Confident17 Ų1765 Ų659%0.08932%0.322CS..  trans-71.3133.5171-71.7163.4000110.9D42 E56 R57D42-L52 HydrophobicContact CB-CD1 3.95Å; D42-L52 HydrophobicContact CB-CD2 4.09Å; D42-L52 HydrophobicContact CB-CG 4.46Å; L52-E56 HydrophobicContact CB-CB 4.32Å; L52-E56 HydrophobicContact CD2-CB 3.77Å; L52-R57 HydrophobicContact CB-CG 3.62Å; L52-R57 PolarHBondContact O-NE 3.36Å; L52-R57 PolarHBondContact O-NH2 3Å
53T83.2Confident81.9Confident77 Ų7764.6 Ų64.647%0.47232%0.319SS..  trans-66164.1174.266.10000112.1K55 E56 R57T53-K55 PolarHBondContact O-N 2.99Å; T53-E56 WeakPolarHBondContact CB-OE2 3.27Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.15Å; T53-E56 PolarHBondContact N-OE2 2.62Å; T53-E56 PolarHBondContact O-N 3.13Å; T53-E56 VanDerWaalsContact O-N 3.15Å; T53-E56 VanDerWaalsContact OG1-CD 3.29Å; T53-E56 WeakPolarHBondContact OG1-CG 3.48Å; T53-E56 PolarHBondContact OG1-N 3.3Å; T53-E56 PolarHBondContact OG1-OE2 3.22Å; T53-R57 WeakPolarHBondContact O-CG 3.45Å; T53-R57 PolarHBondContact O-N 3.31Å
54K83.7Confident82.2Confident164 Ų16466 Ų6671%0.71332%0.324SS*.Hα-helixtrans-54.1-36.9175.3-172.5178.6178.7-176.40112.4I58K54-I58 HydrophobicContact CG-CD1 4.3Å; K54-I58 WeakPolarHBondContact O-CD1 3.2Å; K54-I58 VanDerWaalsContact O-CG1 3.24Å; K54-I58 WeakPolarHBondContact O-CG1 3.47Å; K54-I58 PolarHBondContact O-N 3.25Å
55K81.4Confident82.6Confident109 Ų10971 Ų7147%0.47435%0.346SS..Hα-helixtrans-68.7-49.5176.5179.5171.4170.5173.90111.2T53 R57 I58 V59 D339T53-K55 PolarHBondContact O-N 2.99Å; K55-R57 PolarHBondContact O-N 2.78Å; K55-I58 PolarHBondContact O-N 2.9Å; K55-V59 HydrophobicContact CG-CG2 4.45Å; K55-V59 WeakPolarHBondContact O-CG2 3.37Å; K55-V59 PolarHBondContact O-N 2.92Å; K55-D339 IonicContact NZ-OD1 3.19Å; K55-D339 PolarHBondContact NZ-OD1 3.37Å; K55-D339 IonicContact NZ-OD2 2.72Å; K55-D339 PolarHBondContact NZ-OD2 3.14Å
56E82.9Confident82.9Confident69 Ų6971.8 Ų71.832%0.32235%0.349SS..Hα-helixtrans-63.7-41.1-178.6-66.1156.4136.500111.8L52 T53 I58 V59 E60L52-E56 HydrophobicContact CB-CB 4.32Å; L52-E56 HydrophobicContact CD2-CB 3.77Å; T53-E56 WeakPolarHBondContact CB-OE2 3.27Å; T53-E56 WeakPolarHBondContact CG2-OE2 3.15Å; T53-E56 PolarHBondContact N-OE2 2.62Å; T53-E56 PolarHBondContact O-N 3.13Å; T53-E56 VanDerWaalsContact O-N 3.15Å; T53-E56 VanDerWaalsContact OG1-CD 3.29Å; T53-E56 WeakPolarHBondContact OG1-CG 3.48Å; T53-E56 PolarHBondContact OG1-N 3.3Å; T53-E56 PolarHBondContact OG1-OE2 3.22Å; E56-I58 VanDerWaalsContact C-N 3.3Å; E56-I58 PolarHBondContact O-N 2.82Å; E56-V59 PolarHBondContact O-N 2.86Å; E56-E60 VanDerWaalsContact O-CB 3.26Å; E56-E60 WeakPolarHBondContact O-CB 3.21Å; E56-E60 PolarHBondContact O-N 3.32Å
57R84.1Confident83.1Confident134 Ų13470.8 Ų70.851%0.50635%0.345SS..Hα-helixtrans-60.4-35.8174.2-66.4-176.3-165.9-140-1.3113L52 T53 K55 S61L52-R57 HydrophobicContact CB-CG 3.62Å; L52-R57 PolarHBondContact O-NE 3.36Å; L52-R57 PolarHBondContact O-NH2 3Å; T53-R57 WeakPolarHBondContact O-CG 3.45Å; T53-R57 PolarHBondContact O-N 3.31Å; K55-R57 PolarHBondContact O-N 2.78Å; R57-S61 VanDerWaalsContact O-CB 3.26Å; R57-S61 WeakPolarHBondContact O-CB 3.41Å; R57-S61 PolarHBondContact O-N 3.27Å
58I85.5Confident83.4Confident108 Ų10874 Ų7455%0.55437%0.365SS*.Hα-helixtrans-68.4-45.9175.7-71165.7000110.5K54 K55 E56 S61 K62K54-I58 HydrophobicContact CG-CD1 4.3Å; K54-I58 WeakPolarHBondContact O-CD1 3.2Å; K54-I58 VanDerWaalsContact O-CG1 3.24Å; K54-I58 WeakPolarHBondContact O-CG1 3.47Å; K54-I58 PolarHBondContact O-N 3.25Å; K55-I58 PolarHBondContact O-N 2.9Å; E56-I58 VanDerWaalsContact C-N 3.3Å; E56-I58 PolarHBondContact O-N 2.82Å; I58-S61 PolarHBondContact O-N 3.48Å; I58-K62 PolarHBondContact O-N 3.17Å
59V83.6Confident83.9Confident43 Ų4380.1 Ų80.126%0.26139%0.386SS..Hα-helixtrans-61.7-47.2177.6169.20000110.9K55 E56 S61 K62 Y63K55-V59 HydrophobicContact CG-CG2 4.45Å; K55-V59 WeakPolarHBondContact O-CG2 3.37Å; K55-V59 PolarHBondContact O-N 2.92Å; E56-V59 PolarHBondContact O-N 2.86Å; V59-S61 PolarHBondContact O-N 3.42Å; V59-K62 VanDerWaalsContact O-CB 3.31Å; V59-K62 WeakPolarHBondContact O-CB 3.4Å; V59-K62 PolarHBondContact O-N 3.28Å; V59-K62 VanDerWaalsContact O-N 3.15Å; V59-Y63 HydrophobicContact CG1-CD2 3.89Å; V59-Y63 HydrophobicContact CG1-CE2 3.35Å; V59-Y63 VanDerWaalsContact O-CD2 3.25Å; V59-Y63 WeakPolarHBondContact O-CD2 3.1Å; V59-Y63 PolarHBondContact O-N 3.49Å
60E84.4Confident84.8Confident32 Ų3277.4 Ų77.415%0.1536%0.363CS..Hα-helixtrans-60.5-44.4174.6-169.8-157.7-169.600112Y43 E56 K62 Y63 R64Y43-E60 WeakPolarHBondContact CB-OE1 3.37Å; Y43-E60 PolarHBondContact N-OE1 3.16Å; E56-E60 VanDerWaalsContact O-CB 3.26Å; E56-E60 WeakPolarHBondContact O-CB 3.21Å; E56-E60 PolarHBondContact O-N 3.32Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.1Å; E60-Y63 PolarHBondContact O-N 2.62Å; E60-Y63 VanDerWaalsContact O-N 3.11Å; E60-R64 HydrophobicContact CG-CG 4.49Å; E60-R64 WeakPolarHBondContact O-CG 3.25Å; E60-R64 PolarHBondContact O-N 3.45Å; E60-R64 IonicContact OE1-CZ 2.71Å; E60-R64 IonicContact OE1-NE 2.88Å; E60-R64 PolarHBondContact OE1-NE 3.48Å; E60-R64 IonicContact OE1-NH2 3.66Å; E60-R64 PolarHBondContact OE1-NH2 3.26Å
61S86.8Confident85.4Confident43 Ų4370.8 Ų70.830%0.30133%0.329SS..Hα-helixtrans-59.6-38.8174.7-166.60000111.6R57 I58 V59 K65R57-S61 VanDerWaalsContact O-CB 3.26Å; R57-S61 WeakPolarHBondContact O-CB 3.41Å; R57-S61 PolarHBondContact O-N 3.27Å; I58-S61 PolarHBondContact O-N 3.48Å; V59-S61 PolarHBondContact O-N 3.42Å; S61-K65 WeakPolarHBondContact O-CB 3.34Å; S61-K65 WeakPolarHBondContact O-CD 3.29Å; S61-K65 VanDerWaalsContact O-CG 3.23Å; S61-K65 WeakPolarHBondContact O-CG 3.48Å; S61-K65 PolarHBondContact O-N 3.47Å; S61-K65 PolarHBondContact OG-NZ 2.88Å
62K87.5Confident85.9Confident78 Ų7873.5 Ų73.534%0.33934%0.341SS..Hα-helixtrans-62.5-45.5173-167-169.5-175.4-170.60110.9I58 V59 E60 N66 D343I58-K62 PolarHBondContact O-N 3.17Å; V59-K62 VanDerWaalsContact O-CB 3.31Å; V59-K62 WeakPolarHBondContact O-CB 3.4Å; V59-K62 PolarHBondContact O-N 3.28Å; V59-K62 VanDerWaalsContact O-N 3.15Å; E60-K62 VanDerWaalsContact C-N 3.27Å; E60-K62 PolarHBondContact O-N 3.1Å; K62-N66 WeakPolarHBondContact O-CB 3.18Å; K62-N66 PolarHBondContact O-N 3.45Å; K62-D343 WeakPolarHBondContact CD-OD2 3.2Å; K62-D343 IonicContact NZ-OD1 3.61Å; K62-D343 PolarHBondContact NZ-OD1 3.45Å; K62-D343 IonicContact NZ-OD2 3.65Å; K62-D343 PolarHBondContact NZ-OD2 2.88Å
63Y85.7Confident86.4Confident7 Ų778.4 Ų78.43%0.02736%0.362CS..Hα-helixtrans-64.1-51.2177.1-70.5-52.3000112.7V59 E60 K65 N66 D67 T288 D344V59-Y63 HydrophobicContact CG1-CD2 3.89Å; V59-Y63 HydrophobicContact CG1-CE2 3.35Å; V59-Y63 VanDerWaalsContact O-CD2 3.25Å; V59-Y63 WeakPolarHBondContact O-CD2 3.1Å; V59-Y63 PolarHBondContact O-N 3.49Å; E60-Y63 PolarHBondContact O-N 2.62Å; E60-Y63 VanDerWaalsContact O-N 3.11Å; Y63-K65 VanDerWaalsContact C-N 3.3Å; Y63-K65 PolarHBondContact O-N 3.27Å; Y63-N66 CarbonylContact O-C 3.48Å; Y63-N66 WeakPolarHBondContact O-CA 3.44Å; Y63-N66 PolarHBondContact O-N 2.71Å; Y63-D67 WeakPolarHBondContact O-CB 3.48Å; Y63-D67 PolarHBondContact O-N 3.43Å; Y63-T288 HydrophobicContact CD2-CG2 3.4Å; Y63-T288 VanDerWaalsContact CE2-CB 3.47Å; Y63-T288 HydrophobicContact CE2-CG2 3.39Å; Y63-T288 HydrophobicContact CG-CG2 4.38Å; Y63-D344 HydrophobicContact CE1-CB 4.34Å; Y63-D344 WeakPolarHBondContact OH-CB 3.44Å; Y63-D344 PolarHBondContact OH-N 3.12Å; Y63-D344 PolarHBondContact OH-OD1 3Å; Y63-D344 PolarHBondContact OH-OD2 2.85Å; Y63-D344 VanDerWaalsContact OH-OD2 3.11Å
64R87.1Confident86.7Confident81 Ų8175 Ų7531%0.30634%0.34SS..Hα-helixtrans-54.8-43.9177.2-68.9175.3179.5-110.910.6111.8Y43 E60 D67 I68Y43-R64 HydrophobicContact CD1-CG 4.03Å; Y43-R64 HydrophobicContact CD2-CG 3.87Å; Y43-R64 VanDerWaalsContact CD2-CZ 3.47Å; Y43-R64 HydrophobicContact CE1-CG 4.22Å; Y43-R64 HydrophobicContact CE2-CG 4.09Å; Y43-R64 HydrophobicContact CG-CG 3.86Å; E60-R64 HydrophobicContact CG-CG 4.49Å; E60-R64 WeakPolarHBondContact O-CG 3.25Å; E60-R64 PolarHBondContact O-N 3.45Å; E60-R64 IonicContact OE1-CZ 2.71Å; E60-R64 IonicContact OE1-NE 2.88Å; E60-R64 PolarHBondContact OE1-NE 3.48Å; E60-R64 IonicContact OE1-NH2 3.66Å; E60-R64 PolarHBondContact OE1-NH2 3.26Å; R64-D67 PolarHBondContact O-N 2.74Å; R64-I68 WeakPolarHBondContact O-CD1 3.08Å; R64-I68 WeakPolarHBondContact O-CG1 3.46Å; R64-I68 PolarHBondContact O-N 3.38Å; R64-I68 VanDerWaalsContact O-N 3.12Å
65K89.1Confident86.9Confident123 Ų12371.1 Ų71.154%0.53533%0.327SS..Hα-helixtrans-64-41.3174.9-74.7165.1-179.8152.10112.8S61 Y63 R69S61-K65 WeakPolarHBondContact O-CB 3.34Å; S61-K65 WeakPolarHBondContact O-CD 3.29Å; S61-K65 VanDerWaalsContact O-CG 3.23Å; S61-K65 WeakPolarHBondContact O-CG 3.48Å; S61-K65 PolarHBondContact O-N 3.47Å; S61-K65 PolarHBondContact OG-NZ 2.88Å; Y63-K65 VanDerWaalsContact C-N 3.3Å; Y63-K65 PolarHBondContact O-N 3.27Å; K65-R69 WeakPolarHBondContact O-CD 3.47Å; K65-R69 VanDerWaalsContact O-CG 3.27Å; K65-R69 WeakPolarHBondContact O-CG 3.15Å; K65-R69 PolarHBondContact O-N 2.93Å
66N88.1Confident87.1Confident24 Ų2471.5 Ų71.513%0.12833%0.329CS..Hα-helixtrans-67.4-37.2175-90.4-12.5000112K62 Y63 R69 R70 D345K62-N66 WeakPolarHBondContact O-CB 3.18Å; K62-N66 PolarHBondContact O-N 3.45Å; Y63-N66 CarbonylContact O-C 3.48Å; Y63-N66 WeakPolarHBondContact O-CA 3.44Å; Y63-N66 PolarHBondContact O-N 2.71Å; N66-R69 WeakPolarHBondContact O-CB 3.29Å; N66-R69 PolarHBondContact O-N 2.97Å; N66-R70 PolarHBondContact ND2-NH2 3.12Å; N66-R70 WeakPolarHBondContact O-CB 3.18Å; N66-R70 VanDerWaalsContact O-CD 3.24Å; N66-R70 WeakPolarHBondContact O-CD 3.2Å; N66-R70 WeakPolarHBondContact O-CG 3.32Å; N66-R70 PolarHBondContact O-N 3.21Å; N66-D345 PolarHBondContact ND2-OD2 2.99Å
67D87.6Confident87.1Confident7 Ų768.4 Ų68.44%0.03731%0.314CS..Hα-helixtrans-65.8-49.1-179.1-129.753.1000111.2Y43 Y63 R64 R69 R70 V71 P110 D111Y43-D67 HydrophobicContact CE1-CB 4.5Å; Y43-D67 PolarHBondContact OH-OD2 2.99Å; Y63-D67 WeakPolarHBondContact O-CB 3.48Å; Y63-D67 PolarHBondContact O-N 3.43Å; R64-D67 PolarHBondContact O-N 2.74Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 2.94Å; D67-R70 CarbonylContact O-C 3.53Å; D67-R70 WeakPolarHBondContact O-CA 3.1Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 2.99Å; D67-V71 WeakPolarHBondContact O-CG2 3.31Å; D67-V71 PolarHBondContact O-N 3.35Å; D67-P110 WeakPolarHBondContact OD1-CA 3.48Å; D67-P110 WeakPolarHBondContact OD2-CA 3.22Å; D67-P110 WeakPolarHBondContact OD2-CB 3.41Å; D67-D111 PolarHBondContact OD2-N 2.94Å
68I87.5Confident86.8Confident126 Ų12662.9 Ų62.965%0.64629%0.294SS*.Hα-helixtrans-53.3-44.8174.5-65.9162.7000111.1R64 R70 V71R64-I68 WeakPolarHBondContact O-CD1 3.08Å; R64-I68 WeakPolarHBondContact O-CG1 3.46Å; R64-I68 PolarHBondContact O-N 3.38Å; R64-I68 VanDerWaalsContact O-N 3.12Å; I68-R70 PolarHBondContact O-N 3.02Å; I68-V71 PolarHBondContact O-N 3.44Å
69R88.8Confident86.2Confident172 Ų17260.8 Ų60.865%0.64929%0.289SS*.Hα-helixtrans-66.5-20.9176.3-69.5168.1170.8-175-5114.2K65 N66 D67K65-R69 WeakPolarHBondContact O-CD 3.47Å; K65-R69 VanDerWaalsContact O-CG 3.27Å; K65-R69 WeakPolarHBondContact O-CG 3.15Å; K65-R69 PolarHBondContact O-N 2.93Å; N66-R69 WeakPolarHBondContact O-CB 3.29Å; N66-R69 PolarHBondContact O-N 2.97Å; D67-R69 VanDerWaalsContact C-N 3.27Å; D67-R69 PolarHBondContact O-N 2.94Å
70R91.3Very high85.2Confident35 Ų3565.3 Ų65.313%0.13230%0.302CS..Hα-helixtrans-92.5-34.3177.1-67.6160.1-170.9-176.3-5.8110.9N66 D67 I68 K73 W74 K107 P110 D345N66-R70 PolarHBondContact ND2-NH2 3.12Å; N66-R70 WeakPolarHBondContact O-CB 3.18Å; N66-R70 VanDerWaalsContact O-CD 3.24Å; N66-R70 WeakPolarHBondContact O-CD 3.2Å; N66-R70 WeakPolarHBondContact O-CG 3.32Å; N66-R70 PolarHBondContact O-N 3.21Å; D67-R70 CarbonylContact O-C 3.53Å; D67-R70 WeakPolarHBondContact O-CA 3.1Å; D67-R70 WeakPolarHBondContact O-CB 3.33Å; D67-R70 PolarHBondContact O-N 2.99Å; I68-R70 PolarHBondContact O-N 3.02Å; R70-K73 WeakPolarHBondContact O-CB 3.49Å; R70-K73 PolarHBondContact O-N 2.77Å; R70-K73 VanDerWaalsContact O-N 3.17Å; R70-W74 PolarHBondContact O-N 3.26Å; R70-K107 WeakPolarHBondContact CD-O 3.34Å; R70-K107 PolarHBondContact NE-O 3.47Å; R70-K107 PolarHBondContact NH1-O 3.48Å; R70-K107 VanDerWaalsContact NH1-O 3.09Å; R70-K107 PolarHBondContact NH2-O 2.88Å; R70-P110 HydrophobicContact CB-CG 3.76Å; R70-D345 IonicContact NH2-OD1 3.84Å; R70-D345 PolarHBondContact NH2-OD1 3.43Å; R70-D345 IonicContact NH2-OD2 3.83Å; R70-D345 PolarHBondContact NH2-OD2 3.08Å
71V90Very high84.4Confident28 Ų2864.6 Ų64.617%0.1730%0.298CS..Hα-helixtrans-57.4-53-175.3164.50000113D67 I68 K73 W74 L75 P110 R112 F113D67-V71 WeakPolarHBondContact O-CG2 3.31Å; D67-V71 PolarHBondContact O-N 3.35Å; I68-V71 PolarHBondContact O-N 3.44Å; V71-K73 PolarHBondContact O-N 3.06Å; V71-W74 CarbonylContact O-C 3.55Å; V71-W74 PolarHBondContact O-N 2.97Å; V71-L75 HydrophobicContact CG1-CD1 3.95Å; V71-L75 HydrophobicContact CG1-CG 4.22Å; V71-L75 WeakPolarHBondContact O-CG 3.35Å; V71-L75 PolarHBondContact O-N 3.3Å; V71-P110 HydrophobicContact CG2-CB 3.65Å; V71-P110 HydrophobicContact CG2-CG 4.1Å; V71-R112 HydrophobicContact CG2-CG 4.41Å; V71-F113 HydrophobicContact CB-CE2 4.44Å; V71-F113 HydrophobicContact CG1-CE2 4.21Å; V71-F113 HydrophobicContact CG2-CE2 4.26Å
72D86.7Confident82.7Confident67 Ų6767.5 Ų67.536%0.35831%0.307SS..Hα-helixtrans-52.1-44.8176.7168.375.4000112W74 L75 K76D72-W74 VanDerWaalsContact C-N 3.32Å; D72-W74 PolarHBondContact O-N 3.34Å; D72-L75 PolarHBondContact O-N 3.28Å; D72-K76 WeakPolarHBondContact O-CB 3.18Å; D72-K76 WeakPolarHBondContact O-CG 3.39Å; D72-K76 PolarHBondContact O-N 3.23Å; D72-K76 WeakPolarHBondContact OD1-CE 3.15Å; D72-K76 IonicContact OD1-NZ 2.78Å; D72-K76 PolarHBondContact OD1-NZ 3.06Å; D72-K76 IonicContact OD2-NZ 3.64Å; D72-K76 PolarHBondContact OD2-NZ 2.8Å
73K89.6Confident81Confident119 Ų11970.9 Ų70.952%0.51732%0.324SS..Hα-helixtrans-67.9-35.8-178-64.3174.8-175.11690110.5R70 V71 R104R70-K73 WeakPolarHBondContact O-CB 3.49Å; R70-K73 PolarHBondContact O-N 2.77Å; R70-K73 VanDerWaalsContact O-N 3.17Å; V71-K73 PolarHBondContact O-N 3.06Å; K73-R104 PolarHBondContact O-NH1 2.71Å; K73-R104 PolarHBondContact O-NH2 3.45Å
74W90.4Very high79.1Confident5 Ų573.9 Ų73.92%0.01934%0.343CS..Hα-helixtrans-75.3-40.2175.9-85.692.8000112.6R70 V71 D72 K76 M77 I78 L101 R104 I105 G108 I109 P110 F113 V117R70-W74 PolarHBondContact O-N 3.26Å; V71-W74 CarbonylContact O-C 3.55Å; V71-W74 PolarHBondContact O-N 2.97Å; D72-W74 VanDerWaalsContact C-N 3.32Å; D72-W74 PolarHBondContact O-N 3.34Å; W74-K76 PolarHBondContact O-N 3.48Å; W74-M77 HydrophobicContact CD2-CE 3.9Å; W74-M77 HydrophobicContact CE3-CE 3.3Å; W74-M77 HydrophobicContact CH2-CE 3.82Å; W74-M77 HydrophobicContact CZ2-CE 4.36Å; W74-M77 HydrophobicContact CZ3-CE 3.25Å; W74-M77 WeakPolarHBondContact O-CA 3.45Å; W74-M77 WeakPolarHBondContact O-CB 3.3Å; W74-M77 PolarHBondContact O-N 3.45Å; W74-I78 HydrophobicContact CE3-CD1 3.96Å; W74-I78 HydrophobicContact CE3-CG1 4.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.43Å; W74-I78 PolarHBondContact O-N 3.04Å; W74-L101 HydrophobicContact CH2-CD1 4.23Å; W74-L101 HydrophobicContact CZ3-CD1 4.49Å; W74-R104 HydrophobicContact CZ2-CB 3.83Å; W74-I105 HydrophobicContact CH2-CG1 4.06Å; W74-I105 HydrophobicContact CZ2-CG1 4.4Å; W74-G108 PolarHBondContact NE1-O 2.72Å; W74-I109 HydrophobicContact CH2-CB 4.45Å; W74-I109 HydrophobicContact CH2-CD1 4.45Å; W74-I109 HydrophobicContact CH2-CG1 3.81Å; W74-I109 HydrophobicContact CH2-CG2 4.27Å; W74-I109 HydrophobicContact CZ2-CB 4.25Å; W74-I109 HydrophobicContact CZ2-CG1 3.8Å; W74-I109 HydrophobicContact CZ2-CG2 4.36Å; W74-I109 HydrophobicContact CZ3-CG2 4.5Å; W74-P110 HydrophobicContact CB-CG 4.27Å; W74-P110 HydrophobicContact CG-CG 3.94Å; W74-P110 VanDerWaalsContact NE1-CD 3.32Å; W74-F113 HydrophobicContact CB-CD2 3.68Å; W74-F113 HydrophobicContact CB-CE2 3.57Å; W74-F113 HydrophobicContact CB-CZ 4.4Å; W74-F113 HydrophobicContact CG-CD2 4.29Å; W74-V117 HydrophobicContact CE3-CG2 4.29Å; W74-V117 HydrophobicContact CH2-CG1 4.28Å; W74-V117 HydrophobicContact CH2-CG2 4.44Å; W74-V117 HydrophobicContact CZ3-CG1 4.18Å; W74-V117 HydrophobicContact CZ3-CG2 3.68Å
75L86.7Confident77.5Confident84 Ų8476.1 Ų76.144%0.4436%0.361SS..Hα-helixtrans-52-53.3169.7-74.6170.9000110.9V71 D72 M77 I78 S79 F113V71-L75 HydrophobicContact CG1-CD1 3.95Å; V71-L75 HydrophobicContact CG1-CG 4.22Å; V71-L75 WeakPolarHBondContact O-CG 3.35Å; V71-L75 PolarHBondContact O-N 3.3Å; D72-L75 PolarHBondContact O-N 3.28Å; L75-M77 PolarHBondContact O-N 3.49Å; L75-I78 PolarHBondContact O-N 3.47Å; L75-S79 WeakPolarHBondContact O-CB 3.39Å; L75-S79 PolarHBondContact O-N 2.94Å; L75-S79 PolarHBondContact O-OG 2.87Å; L75-F113 HydrophobicContact CD2-CE1 4.2Å; L75-F113 HydrophobicContact CD2-CZ 3.66Å; L75-F113 HydrophobicContact CG-CZ 3.84Å
76K85.2Confident76.1Confident117 Ų11772.9 Ų72.951%0.50935%0.354SS..Hα-helixtrans-63.7-3.1177.2-70.6167.9178160.30115.1D72 W74D72-K76 WeakPolarHBondContact O-CB 3.18Å; D72-K76 WeakPolarHBondContact O-CG 3.39Å; D72-K76 PolarHBondContact O-N 3.23Å; D72-K76 WeakPolarHBondContact OD1-CE 3.15Å; D72-K76 IonicContact OD1-NZ 2.78Å; D72-K76 PolarHBondContact OD1-NZ 3.06Å; D72-K76 IonicContact OD2-NZ 3.64Å; D72-K76 PolarHBondContact OD2-NZ 2.8Å; W74-K76 PolarHBondContact O-N 3.48Å
77M82.8Confident74.7Confident4 Ų472.5 Ų72.52%0.0235%0.351CS..Hα-helixtrans-107.3-43.6174.7-170.8172.478.700111.6W74 L75 W81 M91 L101 R104W74-M77 HydrophobicContact CD2-CE 3.9Å; W74-M77 HydrophobicContact CE3-CE 3.3Å; W74-M77 HydrophobicContact CH2-CE 3.82Å; W74-M77 HydrophobicContact CZ2-CE 4.36Å; W74-M77 HydrophobicContact CZ3-CE 3.25Å; W74-M77 WeakPolarHBondContact O-CA 3.45Å; W74-M77 WeakPolarHBondContact O-CB 3.3Å; W74-M77 PolarHBondContact O-N 3.45Å; L75-M77 PolarHBondContact O-N 3.49Å; M77-W81 HydrophobicContact CE-CZ2 4.16Å; M77-W81 PolarHBondContact O-NE1 2.82Å; M77-M91 HydrophobicContact CE-CE 4.49Å; M77-M91 HydrophobicContact CG-CE 3.86Å; M77-M91 HydrophobicContact CG-SD 4.11Å; M77-M91 HydrophobicContact SD-CE 3.49Å; M77-M91 WeakPolarHBondContact SD-CE 3.2Å; M77-L101 HydrophobicContact CE-CD1 3.78Å; M77-R104 WeakPolarHBondContact SD-CD 3.38Å
78I79.5Confident73.8Confident17 Ų1773 Ų739%0.08735%0.353CS..Hα-helixtrans-75.9-35-179.2-65175.7000111.6W74 L75 R80 W81 F113 V117W74-I78 HydrophobicContact CE3-CD1 3.96Å; W74-I78 HydrophobicContact CE3-CG1 4.31Å; W74-I78 WeakPolarHBondContact O-CG1 3.43Å; W74-I78 PolarHBondContact O-N 3.04Å; L75-I78 PolarHBondContact O-N 3.47Å; I78-R80 PolarHBondContact O-N 3.39Å; I78-W81 HydrophobicContact CB-CD2 4.38Å; I78-W81 HydrophobicContact CB-CE3 4.21Å; I78-W81 HydrophobicContact CD1-CH2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 4.22Å; I78-W81 HydrophobicContact CG1-CD2 4.21Å; I78-W81 HydrophobicContact CG1-CE3 3.88Å; I78-W81 HydrophobicContact CG1-CH2 3.93Å; I78-W81 HydrophobicContact CG1-CZ2 4.23Å; I78-W81 HydrophobicContact CG1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CD2 4.41Å; I78-W81 HydrophobicContact CG2-CE3 3.92Å; I78-W81 HydrophobicContact CG2-CZ3 4.41Å; I78-W81 VanDerWaalsContact O-CB 3.27Å; I78-W81 WeakPolarHBondContact O-CB 3.48Å; I78-W81 PolarHBondContact O-N 3.5Å; I78-F113 HydrophobicContact CD1-CB 4.24Å; I78-F113 HydrophobicContact CD1-CD1 3.45Å; I78-F113 VanDerWaalsContact CD1-CD1 3.45Å; I78-F113 HydrophobicContact CD1-CD2 4.46Å; I78-F113 HydrophobicContact CD1-CE1 3.84Å; I78-F113 HydrophobicContact CD1-CG 3.81Å; I78-V117 HydrophobicContact CD1-CG2 4.18Å
79S71.2Confident72.9Confident64 Ų6471.8 Ų71.845%0.44834%0.344SS..THydrogen-bonded Turntrans-58-23.917973.70000113.4L75L75-S79 WeakPolarHBondContact O-CB 3.39Å; L75-S79 PolarHBondContact O-N 2.94Å; L75-S79 PolarHBondContact O-OG 2.87Å
80R64.4Low71.8Confident138 Ų13871.8 Ų71.852%0.52134%0.344SS..THydrogen-bonded Turntrans-90.2-5.8178.1-56.2-178.6-172.5-149.1-4.4113.4I78 E82 L87I78-R80 PolarHBondContact O-N 3.39Å; R80-E82 VanDerWaalsContact C-N 3.31Å; R80-L87 HydrophobicContact CB-CD2 3.33Å; R80-L87 WeakPolarHBondContact O-CB 3.42Å; R80-L87 WeakPolarHBondContact O-CD2 3.45Å
81W67Low70.7Confident17 Ų1770.8 Ų70.86%0.06434%0.341CS..THydrogen-bonded Turntrans-75-25.8171-62.8-10.6000111.1M77 I78 V84 W88 V117 L120M77-W81 HydrophobicContact CE-CZ2 4.16Å; M77-W81 PolarHBondContact O-NE1 2.82Å; I78-W81 HydrophobicContact CB-CD2 4.38Å; I78-W81 HydrophobicContact CB-CE3 4.21Å; I78-W81 HydrophobicContact CD1-CH2 4.48Å; I78-W81 HydrophobicContact CD1-CZ3 4.22Å; I78-W81 HydrophobicContact CG1-CD2 4.21Å; I78-W81 HydrophobicContact CG1-CE3 3.88Å; I78-W81 HydrophobicContact CG1-CH2 3.93Å; I78-W81 HydrophobicContact CG1-CZ2 4.23Å; I78-W81 HydrophobicContact CG1-CZ3 3.73Å; I78-W81 HydrophobicContact CG2-CD2 4.41Å; I78-W81 HydrophobicContact CG2-CE3 3.92Å; I78-W81 HydrophobicContact CG2-CZ3 4.41Å; I78-W81 VanDerWaalsContact O-CB 3.27Å; I78-W81 WeakPolarHBondContact O-CB 3.48Å; I78-W81 PolarHBondContact O-N 3.5Å; W81-V84 CarbonylContact O-C 3.46Å; W81-W88 HydrophobicContact CD2-CE3 4.45Å; W81-W88 AromaticContact CH2-CE3 3.81Å; W81-W88 HydrophobicContact CH2-CE3 3.81Å; W81-W88 AromaticContact CH2-CZ3 3.71Å; W81-W88 HydrophobicContact CH2-CZ3 3.71Å; W81-W88 AromaticContact CZ2-CE3 3.7Å; W81-W88 HydrophobicContact CZ2-CE3 3.7Å; W81-W88 AromaticContact CZ2-CZ3 3.81Å; W81-W88 HydrophobicContact CZ2-CZ3 3.81Å; W81-W88 HydrophobicContact CZ3-CE3 4.25Å; W81-W88 HydrophobicContact CZ3-CZ3 4.43Å; W81-V117 HydrophobicContact CH2-CG2 4.03Å; W81-V117 HydrophobicContact CZ3-CG2 4.18Å; W81-L120 HydrophobicContact CE3-CD1 3.76Å; W81-L120 HydrophobicContact CH2-CD1 4.34Å; W81-L120 HydrophobicContact CZ3-CD1 3.45Å; W81-L120 VanDerWaalsContact CZ3-CD1 3.45Å
82E51Low69.8Low105 Ų10570 Ų7049%0.49134%0.335SS..SBendtrans-82.8-28.6-177.2-55.5-178.3-155.300112.8R80 V84 R851R80-E82 VanDerWaalsContact C-N 3.31Å; E82-V84 PolarHBondContact O-N 3.48Å; E82-R851 IonicContact OE1-CZ 3.34Å; E82-R851 IonicContact OE1-NH1 2.72Å; E82-R851 PolarHBondContact OE1-NH1 3.11Å; E82-R851 WeakPolarHBondContact OE2-CD 3.47Å; E82-R851 IonicContact OE2-CZ 3.85Å; E82-R851 IonicContact OE2-NE 3.82Å; E82-R851 IonicContact OE2-NH1 2.62Å; E82-R851 PolarHBondContact OE2-NH1 3.5Å
83E51Low68.7Low149 Ų14975.3 Ų75.370%0.69635%0.35SS*.SBendtrans-66.3-23.7172.9-63.6171.6158.100111.9
84V46.8Very low67.6Low70 Ų7076.6 Ų76.642%0.42436%0.363SS..  trans-166.1126.2174-114.60000110.9W81 E82 S86 L87W81-V84 CarbonylContact O-C 3.46Å; E82-V84 PolarHBondContact O-N 3.48Å; V84-S86 WeakPolarHBondContact CB-OG 3.23Å; V84-S86 WeakPolarHBondContact CG1-OG 3.48Å; V84-S86 PolarHBondContact O-N 2.89Å; V84-L87 PolarHBondContact O-N 3.11Å
85D52.9Low66.5Low127 Ų12777.5 Ų77.568%0.67937%0.374SS*.Hα-helixtrans-51.3-30.5162.4-68.9-49.2000111.5L87 W88 H89D85-L87 PolarHBondContact O-N 3.32Å; D85-W88 PolarHBondContact O-N 3.43Å; D85-H89 PolarHBondContact O-CD2 3.42Å; D85-H89 VanDerWaalsContact O-CD2 3.22Å; D85-H89 PolarHBondContact O-N 3.04Å; D85-H89 VanDerWaalsContact O-N 3.08Å
86S59.2Low66Low56 Ų5680.9 Ų80.939%0.39238%0.381SS..Hα-helixtrans-56.2-21.7173.688.90000113.7V84 R90V84-S86 WeakPolarHBondContact CB-OG 3.23Å; V84-S86 WeakPolarHBondContact CG1-OG 3.48Å; V84-S86 PolarHBondContact O-N 2.89Å; S86-R90 WeakPolarHBondContact O-CA 3.29Å; S86-R90 WeakPolarHBondContact O-CB 3.24Å; S86-R90 PolarHBondContact O-N 2.67Å
87L59.4Low65.9Low15 Ų1576.5 Ų76.58%0.07937%0.367CS..Hα-helixtrans-75.3-38.8173.5-172.557.6000112.5R80 V84 D85 R90 M91R80-L87 HydrophobicContact CB-CD2 3.33Å; R80-L87 WeakPolarHBondContact O-CB 3.42Å; R80-L87 WeakPolarHBondContact O-CD2 3.45Å; V84-L87 PolarHBondContact O-N 3.11Å; D85-L87 PolarHBondContact O-N 3.32Å; L87-R90 HydrophobicContact CD1-CB 4.47Å; L87-R90 PolarHBondContact O-N 2.9Å; L87-M91 HydrophobicContact CD1-CG 3.74Å; L87-M91 HydrophobicContact CD1-SD 3.99Å; L87-M91 HydrophobicContact CD2-SD 4.35Å; L87-M91 HydrophobicContact CG-CG 4.14Å; L87-M91 HydrophobicContact CG-SD 4.03Å; L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.27Å; L87-M91 WeakPolarHBondContact O-CG 3.25Å; L87-M91 PolarHBondContact O-N 2.94Å
88W68.4Low66Low17 Ų1778 Ų786%0.06438%0.377CS..Hα-helixtrans-61.8-51.3169.8176.7-112.7000109.5W81 D85 R90 M91 Y92 L101 L120 L121W81-W88 HydrophobicContact CD2-CE3 4.45Å; W81-W88 AromaticContact CH2-CE3 3.81Å; W81-W88 HydrophobicContact CH2-CE3 3.81Å; W81-W88 AromaticContact CH2-CZ3 3.71Å; W81-W88 HydrophobicContact CH2-CZ3 3.71Å; W81-W88 AromaticContact CZ2-CE3 3.7Å; W81-W88 HydrophobicContact CZ2-CE3 3.7Å; W81-W88 AromaticContact CZ2-CZ3 3.81Å; W81-W88 HydrophobicContact CZ2-CZ3 3.81Å; W81-W88 HydrophobicContact CZ3-CE3 4.25Å; W81-W88 HydrophobicContact CZ3-CZ3 4.43Å; D85-W88 PolarHBondContact O-N 3.43Å; W88-R90 PolarHBondContact O-N 3.02Å; W88-R90 VanDerWaalsContact O-N 3.09Å; W88-M91 CarbonylContact O-C 3.54Å; W88-M91 PolarHBondContact O-N 3.2Å; W88-Y92 AromaticContact CE2-CD1 3.83Å; W88-Y92 HydrophobicContact CH2-CD1 4.25Å; W88-Y92 HydrophobicContact CH2-CG 4.1Å; W88-Y92 AromaticContact CZ2-CD1 3.39Å; W88-Y92 HydrophobicContact CZ2-CD1 3.39Å; W88-Y92 HydrophobicContact CZ2-CE1 4.06Å; W88-Y92 AromaticContact CZ2-CG 3.66Å; W88-Y92 HydrophobicContact CZ2-CG 3.66Å; W88-Y92 PolarHBondContact O-N 3.44Å; W88-L101 HydrophobicContact CH2-CD2 4.15Å; W88-L101 HydrophobicContact CZ3-CD2 3.85Å; W88-L120 HydrophobicContact CD2-CB 4.23Å; W88-L120 HydrophobicContact CD2-CD1 4.41Å; W88-L120 HydrophobicContact CD2-CD2 4.47Å; W88-L120 HydrophobicContact CE3-CB 4.48Å; W88-L120 HydrophobicContact CE3-CD1 4.38Å; W88-L120 HydrophobicContact CG-CD2 4.39Å; W88-L120 HydrophobicContact CH2-CB 3.98Å; W88-L120 VanDerWaalsContact CZ2-C 3.44Å; W88-L120 HydrophobicContact CZ2-CB 3.68Å; W88-L120 VanDerWaalsContact CZ2-O 3.31Å; W88-L120 WeakPolarHBondContact CZ2-O 3.45Å; W88-L120 HydrophobicContact CZ3-CB 4.37Å; W88-L121 HydrophobicContact CH2-CD2 3.97Å; W88-L121 HydrophobicContact CH2-CG 4.18Å
89H68.5Low66.5Low102 Ų10283.1 Ų83.147%0.47240%0.401SS..Hα-helixtrans-64.5-15.3177.7-59.6-57.8000114.9D85 R93D85-H89 PolarHBondContact O-CD2 3.42Å; D85-H89 VanDerWaalsContact O-CD2 3.22Å; D85-H89 PolarHBondContact O-N 3.04Å; D85-H89 VanDerWaalsContact O-N 3.08Å; H89-R93 WeakPolarHBondContact O-CB 3.41Å; H89-R93 WeakPolarHBondContact O-CG 3.29Å
90R65.4Low67.3Low172 Ų17285.1 Ų85.165%0.64940%0.401SS*.Hα-helixtrans-91.7-31.3171.8179.717076.5-168.68.2112.6S86 L87 W88S86-R90 WeakPolarHBondContact O-CA 3.29Å; S86-R90 WeakPolarHBondContact O-CB 3.24Å; S86-R90 PolarHBondContact O-N 2.67Å; L87-R90 HydrophobicContact CD1-CB 4.47Å; L87-R90 PolarHBondContact O-N 2.9Å; W88-R90 PolarHBondContact O-N 3.02Å; W88-R90 VanDerWaalsContact O-N 3.09Å
91M68.1Low68.6Low14 Ų1478.5 Ų78.57%0.06938%0.377CS..Hα-helixtrans-86.7-17.5176.1-71.2-167.461.300113.3M77 L87 W88 A97 S98 L101M77-M91 HydrophobicContact CE-CE 4.49Å; M77-M91 HydrophobicContact CG-CE 3.86Å; M77-M91 HydrophobicContact CG-SD 4.11Å; M77-M91 HydrophobicContact SD-CE 3.49Å; M77-M91 WeakPolarHBondContact SD-CE 3.2Å; L87-M91 HydrophobicContact CD1-CG 3.74Å; L87-M91 HydrophobicContact CD1-SD 3.99Å; L87-M91 HydrophobicContact CD2-SD 4.35Å; L87-M91 HydrophobicContact CG-CG 4.14Å; L87-M91 HydrophobicContact CG-SD 4.03Å; L87-M91 VanDerWaalsContact O-CB 3.29Å; L87-M91 WeakPolarHBondContact O-CB 3.27Å; L87-M91 WeakPolarHBondContact O-CG 3.25Å; L87-M91 PolarHBondContact O-N 2.94Å; W88-M91 CarbonylContact O-C 3.54Å; W88-M91 PolarHBondContact O-N 3.2Å; M91-A97 CarbonylContact O-C 3.57Å; M91-A97 WeakPolarHBondContact O-CA 3.46Å; M91-S98 PolarHBondContact O-N 2.85Å; M91-S98 PolarHBondContact O-OG 3.01Å; M91-L101 HydrophobicContact CB-CD2 4.41Å; M91-L101 HydrophobicContact CE-CB 3.86Å; M91-L101 HydrophobicContact CE-CD1 4.47Å; M91-L101 WeakPolarHBondContact O-CD2 3.34Å
92Y71.4Confident69.8Low12 Ų1279.3 Ų79.35%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-14491.9175-171.3-116000108.6W88 R96 A97 L121 R226 L299W88-Y92 AromaticContact CE2-CD1 3.83Å; W88-Y92 HydrophobicContact CH2-CD1 4.25Å; W88-Y92 HydrophobicContact CH2-CG 4.1Å; W88-Y92 AromaticContact CZ2-CD1 3.39Å; W88-Y92 HydrophobicContact CZ2-CD1 3.39Å; W88-Y92 HydrophobicContact CZ2-CE1 4.06Å; W88-Y92 AromaticContact CZ2-CG 3.66Å; W88-Y92 HydrophobicContact CZ2-CG 3.66Å; W88-Y92 PolarHBondContact O-N 3.44Å; Y92-R96 CarbonylContact C-O 3.53Å; Y92-R96 WeakPolarHBondContact CA-O 3.4Å; Y92-A97 HydrophobicContact CD2-CB 4.09Å; Y92-L121 HydrophobicContact CE2-CD2 4.3Å; Y92-L121 PolarHBondContact OH-O 3.03Å; Y92-R226 VanDerWaalsContact OH-CZ 3.25Å; Y92-R226 PolarHBondContact OH-NH2 3.43Å; Y92-L299 HydrophobicContact CE2-CD1 4.39Å
93R64.7Low71.8Confident177 Ų17780.5 Ų80.567%0.66838%0.383SS*.EExtended strand (participates in β ladder)trans-115.1127.2-173.2-161.4174.3-172.2-172.24.6110.6H89 G95 R96H89-R93 WeakPolarHBondContact O-CB 3.41Å; H89-R93 WeakPolarHBondContact O-CG 3.29Å; R93-G95 PolarHBondContact O-N 3.4Å; R93-R96 PolarHBondContact N-O 2.98Å; R93-R96 WeakPolarHBondContact O-CB 3.41Å; R93-R96 PolarHBondContact O-N 2.74Å
94N64.9Low73.8Confident147 Ų14775.7 Ų75.779%0.78636%0.359SS*.THydrogen-bonded Turntrans48.944.1179.6-56.817.6000112R96N94-R96 VanDerWaalsContact C-N 3.27Å; N94-R96 PolarHBondContact O-N 3.34Å
95G68.1Low76.1Confident24 Ų2472.4 Ų72.425%0.24734%0.339CS..THydrogen-bonded Turntrans73.45.6-178.100000116.4R93 R226R93-G95 PolarHBondContact O-N 3.4Å; G95-R226 VanDerWaalsContact CA-NH2 3.27Å; G95-R226 PolarHBondContact O-NH2 3.29Å
96R76.3Confident78.1Confident154 Ų15467.2 Ų67.258%0.58131%0.31SS*.EExtended strand (participates in β ladder)trans-107.9120.5177.4-61.7179.3177.5-176.8-4.5110.7Y92 R93 N94 H591Y92-R96 CarbonylContact C-O 3.53Å; Y92-R96 WeakPolarHBondContact CA-O 3.4Å; R93-R96 PolarHBondContact N-O 2.98Å; R93-R96 WeakPolarHBondContact O-CB 3.41Å; R93-R96 PolarHBondContact O-N 2.74Å; N94-R96 VanDerWaalsContact C-N 3.27Å; N94-R96 PolarHBondContact O-N 3.34Å; R96-H591 PolarHBondContact NH2-O 2.92Å
97A82.3Confident79.7Confident26 Ų2670.9 Ų70.922%0.21532%0.319CS..EExtended strand (participates in β ladder)trans-74149.4171.200000112.2M91 Y92 L101 L299M91-A97 CarbonylContact O-C 3.57Å; M91-A97 WeakPolarHBondContact O-CA 3.46Å; Y92-A97 HydrophobicContact CD2-CB 4.09Å; A97-L101 HydrophobicContact CB-CB 4.32Å; A97-L101 HydrophobicContact CB-CD2 4.07Å; A97-L101 HydrophobicContact CB-CG 4.34Å; A97-L299 HydrophobicContact CB-CD1 3.4Å
98S86.4Confident81.4Confident34 Ų3470.2 Ų70.224%0.23832%0.316CS..  trans-66.8142.9164.761.40000110.5M91 K100 L101 T102M91-S98 PolarHBondContact O-N 2.85Å; M91-S98 PolarHBondContact O-OG 3.01Å; S98-K100 PolarHBondContact O-N 2.72Å; S98-L101 WeakPolarHBondContact O-CA 3.21Å; S98-L101 WeakPolarHBondContact O-CB 3.39Å; S98-L101 PolarHBondContact O-N 3.38Å; S98-T102 PolarHBondContact O-N 3.4Å; S98-T102 PolarHBondContact O-OG1 3.5Å
99E88.3Confident82.6Confident126 Ų12669.4 Ų69.459%0.58931%0.313SS*.Hα-helixtrans-53.1-28.3178.5-167.6-146.3-178.200113.1R103E99-R103 WeakPolarHBondContact O-CB 3.43Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.17Å; E99-R103 VanDerWaalsContact O-N 3.13Å; E99-R103 PolarHBondContact O-NE 3.07Å; E99-R103 IonicContact OE1-CZ 3.8Å; E99-R103 IonicContact OE1-NE 2.67Å; E99-R103 IonicContact OE1-NH1 3.4Å; E99-R103 PolarHBondContact OE1-NH1 3.31Å; E99-R103 IonicContact OE1-NH2 2.72Å; E99-R103 IonicContact OE2-CZ 2.69Å; E99-R103 IonicContact OE2-NH1 3.19Å; E99-R103 PolarHBondContact OE2-NH1 3.08Å; E99-R103 IonicContact OE2-NH2 3.83Å; E99-R103 PolarHBondContact OE2-NH2 2.72Å
100K89.6Confident83.8Confident105 Ų10564.6 Ų64.646%0.45729%0.29SS..Hα-helixtrans-67.4-43.7172-175.5177.9177.9-1780112.2S98 R104S98-K100 PolarHBondContact O-N 2.72Å; K100-R104 WeakPolarHBondContact O-CD 3.47Å; K100-R104 VanDerWaalsContact O-CG 3.29Å; K100-R104 WeakPolarHBondContact O-CG 3.45Å
101L90Very high85Confident0 Ų057.1 Ų57.10%026%0.264CS..Hα-helixtrans-68.5-48.4176.9-177.958.1000110.8W74 M77 W88 M91 A97 S98 R103 R104 I105W74-L101 HydrophobicContact CH2-CD1 4.23Å; W74-L101 HydrophobicContact CZ3-CD1 4.49Å; M77-L101 HydrophobicContact CE-CD1 3.78Å; W88-L101 HydrophobicContact CH2-CD2 4.15Å; W88-L101 HydrophobicContact CZ3-CD2 3.85Å; M91-L101 HydrophobicContact CB-CD2 4.41Å; M91-L101 HydrophobicContact CE-CB 3.86Å; M91-L101 HydrophobicContact CE-CD1 4.47Å; M91-L101 WeakPolarHBondContact O-CD2 3.34Å; A97-L101 HydrophobicContact CB-CB 4.32Å; A97-L101 HydrophobicContact CB-CD2 4.07Å; A97-L101 HydrophobicContact CB-CG 4.34Å; S98-L101 WeakPolarHBondContact O-CA 3.21Å; S98-L101 WeakPolarHBondContact O-CB 3.39Å; S98-L101 PolarHBondContact O-N 3.38Å; L101-R103 PolarHBondContact O-N 3.03Å; L101-R104 WeakPolarHBondContact O-CA 3.31Å; L101-R104 WeakPolarHBondContact O-CB 3.43Å; L101-R104 PolarHBondContact O-N 3.1Å; L101-I105 HydrophobicContact CD1-CD1 3.9Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CD2-CD1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.81Å; L101-I105 HydrophobicContact CG-CG1 4.45Å; L101-I105 PolarHBondContact O-N 3.03Å
102T92.5Very high85.9Confident34 Ų3460.6 Ų60.621%0.20928%0.276CS..Hα-helixtrans-52.5-53.7176.2-54.90000111.8S98 R104 I105 F106 L299S98-T102 PolarHBondContact O-N 3.4Å; S98-T102 PolarHBondContact O-OG1 3.5Å; T102-R104 PolarHBondContact O-N 3.08Å; T102-I105 PolarHBondContact O-N 2.9Å; T102-F106 HydrophobicContact CG2-CD2 3.73Å; T102-F106 HydrophobicContact CG2-CE2 3.79Å; T102-F106 WeakPolarHBondContact O-CD2 3.29Å; T102-F106 PolarHBondContact O-N 3.47Å; T102-L299 HydrophobicContact CG2-CD2 4.05Å
103R93.2Very high86.9Confident129 Ų12960.5 Ų60.549%0.48728%0.276SS..Hα-helixtrans-62.6-11.9178.2-74.9-179.2-62.2-149.3-9.2115E99 L101 K107E99-R103 WeakPolarHBondContact O-CB 3.43Å; E99-R103 WeakPolarHBondContact O-CG 3.33Å; E99-R103 PolarHBondContact O-N 3.17Å; E99-R103 VanDerWaalsContact O-N 3.13Å; E99-R103 PolarHBondContact O-NE 3.07Å; E99-R103 IonicContact OE1-CZ 3.8Å; E99-R103 IonicContact OE1-NE 2.67Å; E99-R103 IonicContact OE1-NH1 3.4Å; E99-R103 PolarHBondContact OE1-NH1 3.31Å; E99-R103 IonicContact OE1-NH2 2.72Å; E99-R103 IonicContact OE2-CZ 2.69Å; E99-R103 IonicContact OE2-NH1 3.19Å; E99-R103 PolarHBondContact OE2-NH1 3.08Å; E99-R103 IonicContact OE2-NH2 3.83Å; E99-R103 PolarHBondContact OE2-NH2 2.72Å; L101-R103 PolarHBondContact O-N 3.03Å; R103-K107 WeakPolarHBondContact O-CD 3.22Å; R103-K107 VanDerWaalsContact O-CG 3.26Å; R103-K107 WeakPolarHBondContact O-CG 3.33Å
104R92.8Very high88.3Confident49 Ų4952.3 Ų52.319%0.18525%0.245CC..Hα-helixtrans-97.5-40.9176.5-73.9166.2156.2-108.98111.8K73 W74 M77 K100 L101 T102 K107 G108K73-R104 PolarHBondContact O-NH1 2.71Å; K73-R104 PolarHBondContact O-NH2 3.45Å; W74-R104 HydrophobicContact CZ2-CB 3.83Å; M77-R104 WeakPolarHBondContact SD-CD 3.38Å; K100-R104 WeakPolarHBondContact O-CD 3.47Å; K100-R104 VanDerWaalsContact O-CG 3.29Å; K100-R104 WeakPolarHBondContact O-CG 3.45Å; L101-R104 WeakPolarHBondContact O-CA 3.31Å; L101-R104 WeakPolarHBondContact O-CB 3.43Å; L101-R104 PolarHBondContact O-N 3.1Å; T102-R104 PolarHBondContact O-N 3.08Å; R104-K107 CarbonylContact O-C 3.58Å; R104-K107 WeakPolarHBondContact O-CA 3.12Å; R104-K107 PolarHBondContact O-N 2.8Å; R104-K107 VanDerWaalsContact O-N 3.07Å; R104-G108 PolarHBondContact O-N 3.06Å
105I94.8Very high89.6Confident0 Ų049.4 Ų49.40%023%0.227CC..Hα-helixtrans-59.5-48.1171.1-72.2174.8000110.5W74 L101 T102 K107 G108 I109 L121 D295 I296 L299W74-I105 HydrophobicContact CH2-CG1 4.06Å; W74-I105 HydrophobicContact CZ2-CG1 4.4Å; L101-I105 HydrophobicContact CD1-CD1 3.9Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CD2-CD1 4.47Å; L101-I105 HydrophobicContact CG-CD1 3.81Å; L101-I105 HydrophobicContact CG-CG1 4.45Å; L101-I105 PolarHBondContact O-N 3.03Å; T102-I105 PolarHBondContact O-N 2.9Å; I105-K107 PolarHBondContact O-N 3.16Å; I105-G108 WeakPolarHBondContact O-CA 3.25Å; I105-G108 PolarHBondContact O-N 3.06Å; I105-I109 HydrophobicContact CG1-CD1 4.34Å; I105-I109 HydrophobicContact CG1-CG1 4.3Å; I105-L121 HydrophobicContact CD1-CD1 4.12Å; I105-L121 HydrophobicContact CD1-CD2 4.04Å; I105-D295 HydrophobicContact CG2-CB 4.34Å; I105-D295 WeakPolarHBondContact CG2-O 3.35Å; I105-I296 HydrophobicContact CG2-CG1 4.12Å; I105-L299 HydrophobicContact CB-CD2 4.19Å; I105-L299 HydrophobicContact CD1-CB 4.3Å; I105-L299 HydrophobicContact CD1-CD2 4.05Å; I105-L299 HydrophobicContact CG2-CB 4.26Å; I105-L299 HydrophobicContact CG2-CD2 3.95Å
106F95.2Very high90.6Very high18 Ų1851 Ų518%0.07923%0.233CC..THydrogen-bonded Turntrans-63.2-21.4173.5-87-87.2000114.3T102 G108 R292 I296 L299 E300 I348 K352 L355T102-F106 HydrophobicContact CG2-CD2 3.73Å; T102-F106 HydrophobicContact CG2-CE2 3.79Å; T102-F106 WeakPolarHBondContact O-CD2 3.29Å; T102-F106 PolarHBondContact O-N 3.47Å; F106-G108 VanDerWaalsContact C-N 3.29Å; F106-R292 PolarHBondContact O-NH2 3.47Å; F106-R292 VanDerWaalsContact O-NH2 3.08Å; F106-I296 HydrophobicContact CD1-CD1 3.56Å; F106-I296 HydrophobicContact CD1-CG1 4.04Å; F106-I296 HydrophobicContact CD1-CG2 4.34Å; F106-I296 HydrophobicContact CE1-CD1 3.86Å; F106-I296 HydrophobicContact CE1-CG1 4.29Å; F106-I296 HydrophobicContact CE1-CG2 3.76Å; F106-I296 HydrophobicContact CE2-CG2 3.95Å; F106-I296 HydrophobicContact CG-CD1 4.14Å; F106-I296 HydrophobicContact CG-CG1 4.19Å; F106-I296 HydrophobicContact CZ-CG2 3.54Å; F106-L299 HydrophobicContact CE2-CD2 4.44Å; F106-E300 HydrophobicContact CE2-CG 4.17Å; F106-E300 HydrophobicContact CZ-CG 4.16Å; F106-I348 HydrophobicContact CD1-CG2 4.26Å; F106-I348 VanDerWaalsContact O-CG2 3.31Å; F106-I348 WeakPolarHBondContact O-CG2 3.45Å; F106-K352 HydrophobicContact CD1-CD 4.16Å; F106-K352 HydrophobicContact CD1-CG 3.72Å; F106-K352 HydrophobicContact CE1-CG 3.74Å; F106-L355 HydrophobicContact CE1-CD1 3.93Å; F106-L355 HydrophobicContact CZ-CD1 3.76Å
107K93.9Very high91.3Very high134 Ų13443.7 Ų43.758%0.58321%0.205SC*.THydrogen-bonded Turntrans-87.96.2171.3-74.6-175.7-179.8-1670113R70 R103 R104 I105R70-K107 WeakPolarHBondContact CD-O 3.34Å; R70-K107 PolarHBondContact NE-O 3.47Å; R70-K107 PolarHBondContact NH1-O 3.48Å; R70-K107 VanDerWaalsContact NH1-O 3.09Å; R70-K107 PolarHBondContact NH2-O 2.88Å; R103-K107 WeakPolarHBondContact O-CD 3.22Å; R103-K107 VanDerWaalsContact O-CG 3.26Å; R103-K107 WeakPolarHBondContact O-CG 3.33Å; R104-K107 CarbonylContact O-C 3.58Å; R104-K107 WeakPolarHBondContact O-CA 3.12Å; R104-K107 PolarHBondContact O-N 2.8Å; R104-K107 VanDerWaalsContact O-N 3.07Å; I105-K107 PolarHBondContact O-N 3.16Å
108G94.4Very high91.9Very high1 Ų142.5 Ų42.51%0.0120%0.195CC..  trans86.4133.5-175.800000112.9W74 R104 I105 F106W74-G108 PolarHBondContact NE1-O 2.72Å; R104-G108 PolarHBondContact O-N 3.06Å; I105-G108 WeakPolarHBondContact O-CA 3.25Å; I105-G108 PolarHBondContact O-N 3.06Å; F106-G108 VanDerWaalsContact C-N 3.29Å
109I94.1Very high92.2Very high0 Ų041.5 Ų41.50%019%0.188CC..  trans-77.6129.1163.9-52.9176000106.6W74 I105 F113 R114 V117 L121 D295W74-I109 HydrophobicContact CH2-CB 4.45Å; W74-I109 HydrophobicContact CH2-CD1 4.45Å; W74-I109 HydrophobicContact CH2-CG1 3.81Å; W74-I109 HydrophobicContact CH2-CG2 4.27Å; W74-I109 HydrophobicContact CZ2-CB 4.25Å; W74-I109 HydrophobicContact CZ2-CG1 3.8Å; W74-I109 HydrophobicContact CZ2-CG2 4.36Å; W74-I109 HydrophobicContact CZ3-CG2 4.5Å; I105-I109 HydrophobicContact CG1-CD1 4.34Å; I105-I109 HydrophobicContact CG1-CG1 4.3Å; I109-F113 HydrophobicContact CG2-CB 3.87Å; I109-R114 HydrophobicContact CB-CG 4.34Å; I109-R114 HydrophobicContact CG2-CG 4.16Å; I109-R114 PolarHBondContact O-NH2 3.27Å; I109-V117 HydrophobicContact CD1-CB 4.15Å; I109-V117 HydrophobicContact CD1-CG1 3.7Å; I109-V117 HydrophobicContact CG2-CB 4.28Å; I109-V117 HydrophobicContact CG2-CG2 4.21Å; I109-L121 HydrophobicContact CD1-CD1 4.41Å; I109-D295 WeakPolarHBondContact CB-OD2 3.27Å; I109-D295 HydrophobicContact CD1-CB 3.86Å; I109-D295 WeakPolarHBondContact CD1-OD1 3.41Å; I109-D295 HydrophobicContact CG1-CB 3.9Å; I109-D295 PolarHBondContact N-OD2 2.94Å
110P93.7Very high92.2Very high0 Ų037.5 Ų37.50%017%0.17CC..  trans-61.8145.1172.6-22.432.1000110.7D67 R70 V71 W74 R112 F113 R114D67-P110 WeakPolarHBondContact OD1-CA 3.48Å; D67-P110 WeakPolarHBondContact OD2-CA 3.22Å; D67-P110 WeakPolarHBondContact OD2-CB 3.41Å; R70-P110 HydrophobicContact CB-CG 3.76Å; V71-P110 HydrophobicContact CG2-CB 3.65Å; V71-P110 HydrophobicContact CG2-CG 4.1Å; W74-P110 HydrophobicContact CB-CG 4.27Å; W74-P110 HydrophobicContact CG-CG 3.94Å; W74-P110 VanDerWaalsContact NE1-CD 3.32Å; P110-R112 VanDerWaalsContact C-N 3.34Å; P110-R112 PolarHBondContact O-N 2.83Å; P110-F113 HydrophobicContact CB-CD2 3.78Å; P110-F113 HydrophobicContact CB-CE2 4.38Å; P110-F113 HydrophobicContact CG-CD2 3.84Å; P110-F113 HydrophobicContact CG-CE2 4.36Å; P110-F113 WeakPolarHBondContact O-CA 3.5Å; P110-F113 WeakPolarHBondContact O-CB 3.03Å; P110-F113 PolarHBondContact O-N 2.8Å; P110-R114 PolarHBondContact O-N 2.75Å
111D90.4Very high92.3Very high16 Ų1632.6 Ų32.69%0.08615%0.149CC..Hα-helixtrans-60.9-45.2-162.7-16573.2000112.3Y43 Y44 D67 F113 R114 Y207Y43-D111 HydrophobicContact CE1-CB 4.47Å; Y44-D111 WeakPolarHBondContact CD1-OD1 3.07Å; Y44-D111 HydrophobicContact CE1-CB 4.34Å; D67-D111 PolarHBondContact OD2-N 2.94Å; D111-F113 PolarHBondContact O-N 3.05Å; D111-R114 WeakPolarHBondContact O-CB 3.46Å; D111-R114 PolarHBondContact O-N 3.24Å; D111-R114 IonicContact OD1-CZ 3.81Å; D111-R114 IonicContact OD1-NH1 2.68Å; D111-R114 PolarHBondContact OD1-NH1 3.12Å; D111-Y207 VanDerWaalsContact OD1-CE1 3.29Å; D111-Y207 WeakPolarHBondContact OD1-CE1 3.35Å; D111-Y207 PolarHBondContact OD1-OH 3.05Å
112R88Confident92.4Very high86 Ų8632.7 Ų32.733%0.32515%0.15SC..Hα-helixtrans-58.1-3.517273.8-176-53.7-74.51.6116.3V71 P110V71-R112 HydrophobicContact CG2-CG 4.41Å; P110-R112 VanDerWaalsContact C-N 3.34Å; P110-R112 PolarHBondContact O-N 2.83Å
113F92.2Very high92.2Very high10 Ų1032.8 Ų32.84%0.04415%0.151CC..Hα-helixtrans-113.2-11.1174.2-66.5-55.2000113.6V71 W74 L75 I78 I109 P110 D111 M115 T116 V117V71-F113 HydrophobicContact CB-CE2 4.44Å; V71-F113 HydrophobicContact CG1-CE2 4.21Å; V71-F113 HydrophobicContact CG2-CE2 4.26Å; W74-F113 HydrophobicContact CB-CD2 3.68Å; W74-F113 HydrophobicContact CB-CE2 3.57Å; W74-F113 HydrophobicContact CB-CZ 4.4Å; W74-F113 HydrophobicContact CG-CD2 4.29Å; L75-F113 HydrophobicContact CD2-CE1 4.2Å; L75-F113 HydrophobicContact CD2-CZ 3.66Å; L75-F113 HydrophobicContact CG-CZ 3.84Å; I78-F113 HydrophobicContact CD1-CB 4.24Å; I78-F113 HydrophobicContact CD1-CD1 3.45Å; I78-F113 VanDerWaalsContact CD1-CD1 3.45Å; I78-F113 HydrophobicContact CD1-CD2 4.46Å; I78-F113 HydrophobicContact CD1-CE1 3.84Å; I78-F113 HydrophobicContact CD1-CG 3.81Å; I109-F113 HydrophobicContact CG2-CB 3.87Å; P110-F113 HydrophobicContact CB-CD2 3.78Å; P110-F113 HydrophobicContact CB-CE2 4.38Å; P110-F113 HydrophobicContact CG-CD2 3.84Å; P110-F113 HydrophobicContact CG-CE2 4.36Å; P110-F113 WeakPolarHBondContact O-CA 3.5Å; P110-F113 WeakPolarHBondContact O-CB 3.03Å; P110-F113 PolarHBondContact O-N 2.8Å; D111-F113 PolarHBondContact O-N 3.05Å; F113-M115 PolarHBondContact O-N 2.78Å; F113-T116 PolarHBondContact O-N 2.88Å; F113-V117 HydrophobicContact CB-CG2 4.21Å; F113-V117 WeakPolarHBondContact O-CB 3.27Å; F113-V117 VanDerWaalsContact O-CG2 3.29Å; F113-V117 WeakPolarHBondContact O-CG2 3.4Å; F113-V117 PolarHBondContact O-N 3.31Å
114R94Very high92.2Very high5 Ų526.6 Ų26.62%0.01913%0.128CC..Hα-helixtrans-56.2-42.5174.6-70.6-171.6170.292.619111.2I109 P110 D111 T116 V117 W118 Y207 D295I109-R114 HydrophobicContact CB-CG 4.34Å; I109-R114 HydrophobicContact CG2-CG 4.16Å; I109-R114 PolarHBondContact O-NH2 3.27Å; P110-R114 PolarHBondContact O-N 2.75Å; D111-R114 WeakPolarHBondContact O-CB 3.46Å; D111-R114 PolarHBondContact O-N 3.24Å; D111-R114 IonicContact OD1-CZ 3.81Å; D111-R114 IonicContact OD1-NH1 2.68Å; D111-R114 PolarHBondContact OD1-NH1 3.12Å; R114-T116 PolarHBondContact O-N 3.4Å; R114-V117 PolarHBondContact O-N 3.11Å; R114-W118 HydrophobicContact CB-CD2 4.3Å; R114-W118 HydrophobicContact CB-CG 4.33Å; R114-W118 HydrophobicContact CG-CZ2 4.34Å; R114-W118 VanDerWaalsContact O-CB 3.3Å; R114-W118 WeakPolarHBondContact O-CB 3.17Å; R114-W118 PolarHBondContact O-N 2.71Å; R114-Y207 HydrophobicContact CB-CD1 3.46Å; R114-Y207 VanDerWaalsContact CB-CD1 3.46Å; R114-Y207 HydrophobicContact CB-CE1 3.81Å; R114-Y207 HydrophobicContact CB-CG 3.9Å; R114-Y207 HydrophobicContact CG-CD1 4.36Å; R114-Y207 HydrophobicContact CG-CE1 4.24Å; R114-D295 IonicContact CZ-OD1 2.7Å; R114-D295 IonicContact CZ-OD2 3.06Å; R114-D295 IonicContact NE-OD1 3.53Å; R114-D295 PolarHBondContact NE-OD1 3.33Å; R114-D295 IonicContact NE-OD2 2.72Å; R114-D295 IonicContact NH2-OD1 3.39Å; R114-D295 PolarHBondContact NH2-OD1 3.41Å; R114-D295 IonicContact NH2-OD2 3.06Å; R114-D295 PolarHBondContact NH2-OD2 2.96Å
115M90.9Very high92Very high86 Ų8627.8 Ų27.842%0.42414%0.141SC..Hα-helixtrans-55.3-24175.370.9-176.8-58.600115.4F113 P119 Y207F113-M115 PolarHBondContact O-N 2.78Å; M115-P119 WeakPolarHBondContact O-CG 3.13Å; M115-Y207 WeakPolarHBondContact CA-O 3.42Å; M115-Y207 WeakPolarHBondContact CB-O 3.11Å
116T89.4Confident91.7Very high59 Ų5931.1 Ų31.136%0.36216%0.158SC..Hα-helixtrans-101.3-42176.9-45.60000111.6F113 R114 L120F113-T116 PolarHBondContact O-N 2.88Å; R114-T116 PolarHBondContact O-N 3.4Å; T116-L120 HydrophobicContact CG2-CD1 4.28Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.31Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å
117V91.5Very high91.4Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-82.6-33.5-169.3-176.40000112W74 I78 W81 I109 F113 R114 L120 L121W74-V117 HydrophobicContact CE3-CG2 4.29Å; W74-V117 HydrophobicContact CH2-CG1 4.28Å; W74-V117 HydrophobicContact CH2-CG2 4.44Å; W74-V117 HydrophobicContact CZ3-CG1 4.18Å; W74-V117 HydrophobicContact CZ3-CG2 3.68Å; I78-V117 HydrophobicContact CD1-CG2 4.18Å; W81-V117 HydrophobicContact CH2-CG2 4.03Å; W81-V117 HydrophobicContact CZ3-CG2 4.18Å; I109-V117 HydrophobicContact CD1-CB 4.15Å; I109-V117 HydrophobicContact CD1-CG1 3.7Å; I109-V117 HydrophobicContact CG2-CB 4.28Å; I109-V117 HydrophobicContact CG2-CG2 4.21Å; F113-V117 HydrophobicContact CB-CG2 4.21Å; F113-V117 WeakPolarHBondContact O-CB 3.27Å; F113-V117 VanDerWaalsContact O-CG2 3.29Å; F113-V117 WeakPolarHBondContact O-CG2 3.4Å; F113-V117 PolarHBondContact O-N 3.31Å; R114-V117 PolarHBondContact O-N 3.11Å; V117-L120 PolarHBondContact O-N 2.76Å; V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.25Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.96Å
118W94.8Very high91.4Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-66.6-48.1178.7-72.116.6000112.4R114 L120 L121 L122 L203 F204 Y207 L291 W294 D295 L298R114-W118 HydrophobicContact CB-CD2 4.3Å; R114-W118 HydrophobicContact CB-CG 4.33Å; R114-W118 HydrophobicContact CG-CZ2 4.34Å; R114-W118 VanDerWaalsContact O-CB 3.3Å; R114-W118 WeakPolarHBondContact O-CB 3.17Å; R114-W118 PolarHBondContact O-N 2.71Å; W118-L120 PolarHBondContact O-N 2.74Å; W118-L121 PolarHBondContact O-N 3.46Å; W118-L122 WeakPolarHBondContact O-CB 2.99Å; W118-L122 PolarHBondContact O-N 2.95Å; W118-L203 HydrophobicContact CH2-CD1 4.42Å; W118-L203 HydrophobicContact CH2-CD2 3.96Å; W118-L203 HydrophobicContact CH2-CG 4.1Å; W118-L203 HydrophobicContact CZ3-CD2 4.04Å; W118-L203 HydrophobicContact CZ3-CG 3.96Å; W118-F204 HydrophobicContact CE3-CD1 4.42Å; W118-Y207 HydrophobicContact CE3-CD2 4.1Å; W118-Y207 HydrophobicContact CE3-CG 4.41Å; W118-Y207 AromaticContact CH2-CD2 3.76Å; W118-Y207 HydrophobicContact CH2-CD2 3.76Å; W118-Y207 AromaticContact CH2-CE2 3.94Å; W118-Y207 HydrophobicContact CH2-CE2 3.94Å; W118-Y207 HydrophobicContact CZ2-CD2 4.47Å; W118-Y207 AromaticContact CZ3-CD2 3.55Å; W118-Y207 HydrophobicContact CZ3-CD2 3.55Å; W118-Y207 HydrophobicContact CZ3-CE2 4.2Å; W118-Y207 HydrophobicContact CZ3-CG 4.29Å; W118-L291 HydrophobicContact CH2-CD2 4.15Å; W118-L291 HydrophobicContact CZ2-CD2 4.42Å; W118-W294 HydrophobicContact CH2-CB 3.9Å; W118-W294 HydrophobicContact CH2-CE3 4.49Å; W118-W294 HydrophobicContact CH2-CG 4.46Å; W118-W294 HydrophobicContact CZ2-CB 3.76Å; W118-W294 HydrophobicContact CZ3-CE3 4.49Å; W118-D295 PolarHBondContact NE1-OD1 2.89Å; W118-L298 HydrophobicContact CB-CD1 3.72Å; W118-L298 HydrophobicContact CD2-CD1 3.6Å; W118-L298 HydrophobicContact CE3-CD1 4.07Å; W118-L298 HydrophobicContact CG-CD1 3.44Å; W118-L298 VanDerWaalsContact CG-CD1 3.44Å
119P92.1Very high91.2Very high14 Ų1432.1 Ų32.19%0.09117%0.168CC..Hα-helixtrans-57.5-35.2173.4-2735.9000113.9M115 L122 C123 V124 I208M115-P119 WeakPolarHBondContact O-CG 3.13Å; P119-L122 CarbonylContact O-C 3.5Å; P119-C123 PolarHBondContact O-N 3.22Å; P119-V124 HydrophobicContact CB-CB 4.07Å; P119-V124 HydrophobicContact CB-CG2 4.1Å; P119-V124 PolarHBondContact O-N 2.85Å; P119-I208 HydrophobicContact CG-CD1 4.1Å; P119-I208 HydrophobicContact CG-CG1 4.05Å
120L89.3Confident91.1Very high42 Ų4239.8 Ų39.822%0.2220%0.202CC..Hα-helixtrans-70.8-44.5177.7-73.6172.4000112.7W81 W88 T116 V117 W118 L122 C123W81-L120 HydrophobicContact CE3-CD1 3.76Å; W81-L120 HydrophobicContact CH2-CD1 4.34Å; W81-L120 HydrophobicContact CZ3-CD1 3.45Å; W81-L120 VanDerWaalsContact CZ3-CD1 3.45Å; W88-L120 HydrophobicContact CD2-CB 4.23Å; W88-L120 HydrophobicContact CD2-CD1 4.41Å; W88-L120 HydrophobicContact CD2-CD2 4.47Å; W88-L120 HydrophobicContact CE3-CB 4.48Å; W88-L120 HydrophobicContact CE3-CD1 4.38Å; W88-L120 HydrophobicContact CG-CD2 4.39Å; W88-L120 HydrophobicContact CH2-CB 3.98Å; W88-L120 VanDerWaalsContact CZ2-C 3.44Å; W88-L120 HydrophobicContact CZ2-CB 3.68Å; W88-L120 VanDerWaalsContact CZ2-O 3.31Å; W88-L120 WeakPolarHBondContact CZ2-O 3.45Å; W88-L120 HydrophobicContact CZ3-CB 4.37Å; T116-L120 HydrophobicContact CG2-CD1 4.28Å; T116-L120 WeakPolarHBondContact O-CD1 3.41Å; T116-L120 VanDerWaalsContact O-CG 3.31Å; T116-L120 WeakPolarHBondContact O-CG 3.49Å; V117-L120 PolarHBondContact O-N 2.76Å; W118-L120 PolarHBondContact O-N 2.74Å; L120-L122 PolarHBondContact O-N 2.99Å; L120-C123 PolarHBondContact O-N 3.39Å; L120-C123 VanDerWaalsContact O-N 3.11Å
121L90.8Very high91Very high1 Ų141.8 Ų41.81%0.00521%0.212CC..Hα-helixtrans-60.5-36174.3-76.7169.7000112.2W88 Y92 I105 I109 V117 W118 L298 L299W88-L121 HydrophobicContact CH2-CD2 3.97Å; W88-L121 HydrophobicContact CH2-CG 4.18Å; Y92-L121 HydrophobicContact CE2-CD2 4.3Å; Y92-L121 PolarHBondContact OH-O 3.03Å; I105-L121 HydrophobicContact CD1-CD1 4.12Å; I105-L121 HydrophobicContact CD1-CD2 4.04Å; I109-L121 HydrophobicContact CD1-CD1 4.41Å; V117-L121 HydrophobicContact CG1-CD1 3.97Å; V117-L121 HydrophobicContact CG1-CG 4.25Å; V117-L121 WeakPolarHBondContact O-CG 3.5Å; V117-L121 PolarHBondContact O-N 2.96Å; W118-L121 PolarHBondContact O-N 3.46Å; L121-L298 HydrophobicContact CB-CB 4.02Å; L121-L298 HydrophobicContact CD1-CB 3.87Å; L121-L299 HydrophobicContact CD2-CB 4.49Å
122L91.7Very high90.9Very high3 Ų347.9 Ų47.92%0.01624%0.238CC..THydrogen-bonded Turntrans-82.8-4.8176.1-76.4160.1000114.3W118 P119 L120 V124 F204 A217 Q220 Y227 L298W118-L122 WeakPolarHBondContact O-CB 2.99Å; W118-L122 PolarHBondContact O-N 2.95Å; P119-L122 CarbonylContact O-C 3.5Å; L120-L122 PolarHBondContact O-N 2.99Å; L122-V124 HydrophobicContact CB-CG2 3.83Å; L122-V124 PolarHBondContact O-N 2.86Å; L122-F204 HydrophobicContact CD1-CD1 4.32Å; L122-F204 HydrophobicContact CD1-CE1 3.51Å; L122-F204 HydrophobicContact CD1-CZ 3.9Å; L122-A217 HydrophobicContact CD1-CB 3.93Å; L122-Q220 HydrophobicContact CB-CB 4.46Å; L122-Q220 HydrophobicContact CD2-CB 3.91Å; L122-Q220 VanDerWaalsContact O-CG 3.3Å; L122-Q220 WeakPolarHBondContact O-CG 3.49Å; L122-Q220 PolarHBondContact O-NE2 2.97Å; L122-Y227 HydrophobicContact CD2-CE2 3.72Å; L122-L298 HydrophobicContact CD1-CD1 4.09Å; L122-L298 HydrophobicContact CD1-CD2 3.91Å; L122-L298 HydrophobicContact CD2-CD2 3.92Å; L122-L298 HydrophobicContact CG-CD2 3.91Å
123C89.7Confident91.1Very high35 Ų3548.4 Ų48.424%0.23625%0.247CC..THydrogen-bonded Turntrans52.238.5-175.2-72.50000113.5P119 L120 T125 D126 I127P119-C123 PolarHBondContact O-N 3.22Å; L120-C123 PolarHBondContact O-N 3.39Å; L120-C123 VanDerWaalsContact O-N 3.11Å; C123-T125 VanDerWaalsContact C-N 3.35Å; C123-T125 PolarHBondContact O-N 3.23Å; C123-D126 HydrophobicContact CB-CB 4.2Å; C123-D126 WeakPolarHBondContact CB-OD2 3.11Å; C123-D126 WeakPolarHBondContact O-CB 3.37Å; C123-D126 PolarHBondContact O-N 3.33Å; C123-D126 VanDerWaalsContact O-N 3.12Å; C123-D126 PolarHBondContact SG-OD2 3.46Å; C123-D126 VanDerWaalsContact SG-OD2 3.37Å; C123-I127 PolarHBondContact O-N 2.57Å
124V91.9Very high91.2Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-56.8-46.3-176.2170.30000111.7P119 L122 D126 I127 K128 D213 W216 A217P119-V124 HydrophobicContact CB-CB 4.07Å; P119-V124 HydrophobicContact CB-CG2 4.1Å; P119-V124 PolarHBondContact O-N 2.85Å; L122-V124 HydrophobicContact CB-CG2 3.83Å; L122-V124 PolarHBondContact O-N 2.86Å; V124-D126 VanDerWaalsContact C-N 3.28Å; V124-D126 PolarHBondContact O-N 3.37Å; V124-I127 VanDerWaalsContact O-CG2 3.25Å; V124-I127 WeakPolarHBondContact O-CG2 3.36Å; V124-I127 PolarHBondContact O-N 3.42Å; V124-K128 WeakPolarHBondContact O-CB 3.49Å; V124-K128 PolarHBondContact O-N 3.47Å; V124-D213 HydrophobicContact CG1-CB 3.74Å; V124-D213 WeakPolarHBondContact CG1-O 3.36Å; V124-W216 HydrophobicContact CG1-CB 4.05Å; V124-A217 HydrophobicContact CG2-CB 3.99Å
125T89.6Confident91.3Very high74 Ų7449.6 Ų49.645%0.45425%0.253SS..Hα-helixtrans-58.8-38.9177.7-42.70000112.2C123 N129C123-T125 VanDerWaalsContact C-N 3.35Å; C123-T125 PolarHBondContact O-N 3.23Å; T125-N129 VanDerWaalsContact O-CB 3.25Å; T125-N129 WeakPolarHBondContact O-CB 3.27Å; T125-N129 VanDerWaalsContact O-CG 3.3Å; T125-N129 PolarHBondContact O-N 2.91Å; T125-N129 PolarHBondContact O-ND2 2.98Å; T125-N129 VanDerWaalsContact O-ND2 3.13Å
126D88Confident91.4Very high70 Ų7048.8 Ų48.837%0.37425%0.253SS..Hα-helixtrans-69.3-39.9-179-61.4-37.1000112C123 V124 K130C123-D126 HydrophobicContact CB-CB 4.2Å; C123-D126 WeakPolarHBondContact CB-OD2 3.11Å; C123-D126 WeakPolarHBondContact O-CB 3.37Å; C123-D126 PolarHBondContact O-N 3.33Å; C123-D126 VanDerWaalsContact O-N 3.12Å; C123-D126 PolarHBondContact SG-OD2 3.46Å; C123-D126 VanDerWaalsContact SG-OD2 3.37Å; V124-D126 VanDerWaalsContact C-N 3.28Å; V124-D126 PolarHBondContact O-N 3.37Å; D126-K130 VanDerWaalsContact O-CD 3.3Å; D126-K130 WeakPolarHBondContact O-CD 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.22Å; D126-K130 WeakPolarHBondContact O-CG 3.43Å; D126-K130 PolarHBondContact O-N 2.88Å
127I90.2Very high91.7Very high29 Ų2949.9 Ų49.915%0.14925%0.253CS..Hα-helixtrans-78.3-38.3-179.4-167.869.1000111.5C123 V124 K130 N131 W216 Q220C123-I127 PolarHBondContact O-N 2.57Å; V124-I127 VanDerWaalsContact O-CG2 3.25Å; V124-I127 WeakPolarHBondContact O-CG2 3.36Å; V124-I127 PolarHBondContact O-N 3.42Å; I127-K130 PolarHBondContact O-N 2.93Å; I127-N131 WeakPolarHBondContact CD1-ND2 3.34Å; I127-N131 PolarHBondContact O-N 3.43Å; I127-N131 PolarHBondContact O-ND2 3.1Å; I127-W216 HydrophobicContact CB-CE3 4.4Å; I127-W216 HydrophobicContact CG1-CD2 4.45Å; I127-W216 HydrophobicContact CG1-CE3 3.64Å; I127-W216 HydrophobicContact CG1-CZ3 3.94Å; I127-W216 HydrophobicContact CG2-CB 3.77Å; I127-W216 HydrophobicContact CG2-CD2 4.13Å; I127-W216 HydrophobicContact CG2-CE3 3.97Å; I127-W216 HydrophobicContact CG2-CG 4.05Å; I127-Q220 HydrophobicContact CB-CG 4.34Å; I127-Q220 HydrophobicContact CG2-CG 3.75Å
128K93Very high91.8Very high47 Ų4749.9 Ų49.920%0.20425%0.253CS..Hα-helixtrans-61.9-47174.8-174.7166.6177.5169.80111.5V124 K130 N131 D210 E212 D213 W216V124-K128 WeakPolarHBondContact O-CB 3.49Å; V124-K128 PolarHBondContact O-N 3.47Å; K128-K130 PolarHBondContact O-N 3.41Å; K128-N131 CarbonylContact O-C 3.53Å; K128-N131 PolarHBondContact O-N 2.66Å; K128-D210 IonicContact NZ-OD1 3.17Å; K128-D210 PolarHBondContact NZ-OD1 3.27Å; K128-E212 HydrophobicContact CD-CG 4.03Å; K128-E212 VanDerWaalsContact CE-OE2 3.25Å; K128-E212 WeakPolarHBondContact CE-OE2 3.47Å; K128-E212 HydrophobicContact CG-CG 4.41Å; K128-E212 IonicContact NZ-OE2 2.67Å; K128-D213 WeakPolarHBondContact CD-OD1 3.37Å; K128-D213 WeakPolarHBondContact CE-OD1 3.25Å; K128-D213 IonicContact NZ-OD1 3.72Å; K128-D213 PolarHBondContact NZ-OD1 3.48Å; K128-W216 HydrophobicContact CB-CG 4.1Å
129N91Very high91.8Very high98 Ų9851 Ų5152%0.52426%0.259SS..Hα-helixtrans-61.9-28177.5-81.3-32.6000114T125T125-N129 VanDerWaalsContact O-CB 3.25Å; T125-N129 WeakPolarHBondContact O-CB 3.27Å; T125-N129 VanDerWaalsContact O-CG 3.3Å; T125-N129 PolarHBondContact O-N 2.91Å; T125-N129 PolarHBondContact O-ND2 2.98Å; T125-N129 VanDerWaalsContact O-ND2 3.13Å
130K90.9Very high91.9Very high161 Ų16156.1 Ų56.170%0.728%0.281SS*.Hα-helixtrans-80-22.7175.3-72.3168.8-172.7175.60113.7D126 I127 K128D126-K130 VanDerWaalsContact O-CD 3.3Å; D126-K130 WeakPolarHBondContact O-CD 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.22Å; D126-K130 WeakPolarHBondContact O-CG 3.43Å; D126-K130 PolarHBondContact O-N 2.88Å; I127-K130 PolarHBondContact O-N 2.93Å; K128-K130 PolarHBondContact O-N 3.41Å
131N91.1Very high92Very high42 Ų4256 Ų5623%0.22528%0.279CS..SBendtrans-125.148-168.8-67.3-88.8000111.9I127 K128 I134 W216I127-N131 WeakPolarHBondContact CD1-ND2 3.34Å; I127-N131 PolarHBondContact O-N 3.43Å; I127-N131 PolarHBondContact O-ND2 3.1Å; K128-N131 CarbonylContact O-C 3.53Å; K128-N131 PolarHBondContact O-N 2.66Å; N131-I134 HydrophobicContact CB-CB 4.26Å; N131-I134 HydrophobicContact CB-CG1 3.95Å; N131-I134 WeakPolarHBondContact O-CB 3.44Å; N131-I134 VanDerWaalsContact O-CG1 3.31Å; N131-I134 WeakPolarHBondContact O-CG1 3.43Å; N131-I134 PolarHBondContact O-N 3.12Å; N131-W216 HydrophobicContact CB-CH2 3.2Å; N131-W216 HydrophobicContact CB-CZ2 3.35Å; N131-W216 HydrophobicContact CB-CZ3 4.04Å
132K90.2Very high92.1Very high143 Ų14355.9 Ų55.962%0.62228%0.279SS*.THydrogen-bonded Turntrans-57.2139.4-177-62.4-175.1179.7-177.30112.4I134K132-I134 PolarHBondContact O-N 3.19Å
133D90.9Very high92Very high97 Ų9757.9 Ų57.952%0.51929%0.289SS..THydrogen-bonded Turntrans590.2-177-33.8-46.9000116.1Y135 T136 K137D133-Y135 PolarHBondContact O-N 3.13Å; D133-T136 PolarHBondContact O-N 3.41Å; D133-K137 HydrophobicContact CB-CD 4.25Å; D133-K137 WeakPolarHBondContact O-CD 3.27Å; D133-K137 VanDerWaalsContact O-CG 3.29Å; D133-K137 WeakPolarHBondContact O-CG 3.28Å; D133-K137 PolarHBondContact O-N 3.11Å; D133-K137 VanDerWaalsContact O-N 3.11Å; D133-K137 IonicContact OD2-NZ 2.74Å
134I93.9Very high91.9Very high28 Ų2859.7 Ų59.714%0.14430%0.303CS..Hα-helixtrans-64.7-42-176.5-63.7-61.8000110.4N131 K132 T136 K137 M138 Y187 W216 F381N131-I134 HydrophobicContact CB-CB 4.26Å; N131-I134 HydrophobicContact CB-CG1 3.95Å; N131-I134 WeakPolarHBondContact O-CB 3.44Å; N131-I134 VanDerWaalsContact O-CG1 3.31Å; N131-I134 WeakPolarHBondContact O-CG1 3.43Å; N131-I134 PolarHBondContact O-N 3.12Å; K132-I134 PolarHBondContact O-N 3.19Å; I134-T136 PolarHBondContact O-N 2.88Å; I134-K137 PolarHBondContact O-N 2.94Å; I134-M138 HydrophobicContact CG2-CG 3.87Å; I134-M138 WeakPolarHBondContact O-CB 3.31Å; I134-M138 WeakPolarHBondContact O-CG 3.31Å; I134-M138 PolarHBondContact O-N 3.25Å; I134-Y187 HydrophobicContact CG2-CD2 3.8Å; I134-Y187 HydrophobicContact CG2-CE2 3.76Å; I134-W216 HydrophobicContact CB-CH2 4.27Å; I134-W216 HydrophobicContact CB-CZ2 4.17Å; I134-W216 HydrophobicContact CG2-CH2 4.19Å; I134-W216 HydrophobicContact CG2-CZ2 4.49Å; I134-F381 HydrophobicContact CD1-CE2 4.43Å; I134-F381 HydrophobicContact CD1-CZ 4.04Å
135Y95.8Very high91.3Very high13 Ų1362.9 Ų62.95%0.05133%0.325CS..Hα-helixtrans-54-51.6175.5172.7-112.8000112.1D133 K137 M138 L139 A183 E211 E212 F215D133-Y135 PolarHBondContact O-N 3.13Å; Y135-K137 PolarHBondContact O-N 3.04Å; Y135-M138 PolarHBondContact O-N 3.35Å; Y135-L139 WeakPolarHBondContact O-CB 3.42Å; Y135-L139 PolarHBondContact O-N 3.02Å; Y135-A183 HydrophobicContact CD2-CB 3.9Å; Y135-A183 HydrophobicContact CE2-CB 3.75Å; Y135-E211 HydrophobicContact CE1-CG 4.14Å; Y135-E211 PolarHBondContact OH-OE2 2.98Å; Y135-E211 VanDerWaalsContact OH-OE2 3.06Å; Y135-E212 WeakPolarHBondContact CB-OE1 3.48Å; Y135-E212 HydrophobicContact CD1-CB 3.72Å; Y135-E212 HydrophobicContact CD1-CG 4.04Å; Y135-E212 HydrophobicContact CE1-CB 4.21Å; Y135-E212 HydrophobicContact CG-CB 4.04Å; Y135-E212 HydrophobicContact CG-CG 3.93Å; Y135-F215 HydrophobicContact CD2-CB 3.78Å; Y135-F215 AromaticContact CD2-CD1 3.8Å; Y135-F215 HydrophobicContact CD2-CD1 3.8Å; Y135-F215 AromaticContact CD2-CD2 3.76Å; Y135-F215 HydrophobicContact CD2-CD2 3.76Å; Y135-F215 HydrophobicContact CD2-CE1 4.31Å; Y135-F215 HydrophobicContact CD2-CE2 4.26Å; Y135-F215 AromaticContact CD2-CG 3.5Å; Y135-F215 HydrophobicContact CD2-CG 3.5Å; Y135-F215 HydrophobicContact CE2-CB 3.94Å; Y135-F215 HydrophobicContact CE2-CD2 4.14Å; Y135-F215 HydrophobicContact CE2-CG 4.05Å; Y135-F215 HydrophobicContact CG-CD1 4.35Å; Y135-F215 HydrophobicContact CG-CG 4.44Å
136T94.8Very high90.9Very high68 Ų6860.2 Ų60.242%0.41731%0.31SS..Hα-helixtrans-60.3-44.5-179.5-49.90000112.3D133 I134 L139 Q140D133-T136 PolarHBondContact O-N 3.41Å; I134-T136 PolarHBondContact O-N 2.88Å; T136-L139 PolarHBondContact O-N 2.82Å; T136-Q140 WeakPolarHBondContact O-CG 3.32Å; T136-Q140 PolarHBondContact O-N 3.35Å
137K93.8Very high90.7Very high83 Ų8360.6 Ų60.636%0.36133%0.33SS..Hα-helixtrans-67.9-41.3179.6-63.7161.6-175.4162.50111.5D133 I134 Y135 Q140 Q141 F381D133-K137 HydrophobicContact CB-CD 4.25Å; D133-K137 WeakPolarHBondContact O-CD 3.27Å; D133-K137 VanDerWaalsContact O-CG 3.29Å; D133-K137 WeakPolarHBondContact O-CG 3.28Å; D133-K137 PolarHBondContact O-N 3.11Å; D133-K137 VanDerWaalsContact O-N 3.11Å; D133-K137 IonicContact OD2-NZ 2.74Å; I134-K137 PolarHBondContact O-N 2.94Å; Y135-K137 PolarHBondContact O-N 3.04Å; K137-Q140 PolarHBondContact O-N 3.31Å; K137-Q141 WeakPolarHBondContact O-CB 3.14Å; K137-Q141 PolarHBondContact O-N 3.49Å; K137-F381 HydrophobicContact CB-CE1 3.82Å; K137-F381 HydrophobicContact CB-CZ 4.26Å; K137-F381 HydrophobicContact CD-CE1 4.4Å; K137-F381 HydrophobicContact CD-CZ 4.13Å
138M94.2Very high90.7Very high0 Ų060.8 Ų60.80%033%0.334CS..Hα-helixtrans-65.4-39.5175.3-67.6-70.6102.900111.9I134 Y135 Q141 A142 A183 V186 Y187 F381I134-M138 HydrophobicContact CG2-CG 3.87Å; I134-M138 WeakPolarHBondContact O-CB 3.31Å; I134-M138 WeakPolarHBondContact O-CG 3.31Å; I134-M138 PolarHBondContact O-N 3.25Å; Y135-M138 PolarHBondContact O-N 3.35Å; M138-Q141 PolarHBondContact O-N 3.33Å; M138-A142 VanDerWaalsContact O-CB 3.29Å; M138-A142 WeakPolarHBondContact O-CB 3.36Å; M138-A142 PolarHBondContact O-N 3.23Å; M138-A183 HydrophobicContact CB-CB 4.19Å; M138-V186 HydrophobicContact CB-CG2 4.07Å; M138-V186 WeakPolarHBondContact O-CG2 3.34Å; M138-V186 HydrophobicContact SD-CG2 3.99Å; M138-Y187 HydrophobicContact CG-CD2 3.95Å; M138-Y187 HydrophobicContact CG-CG 4.44Å; M138-Y187 WeakPolarHBondContact SD-CA 3.22Å; M138-Y187 HydrophobicContact SD-CD2 4.06Å; M138-Y187 HydrophobicContact SD-CG 4.46Å; M138-F381 HydrophobicContact CE-CD1 3.49Å; M138-F381 VanDerWaalsContact CE-CD1 3.49Å; M138-F381 HydrophobicContact CE-CE1 3.2Å; M138-F381 HydrophobicContact CE-CG 4.33Å; M138-F381 HydrophobicContact CE-CZ 3.85Å
139L95.1Very high90.7Very high24 Ų2458.8 Ų58.813%0.12633%0.325CS..Hα-helixtrans-61.3-48.2173.6178.160.1000111.5Y135 T136 Q141 A142 L143 R179 A182 A183Y135-L139 WeakPolarHBondContact O-CB 3.42Å; Y135-L139 PolarHBondContact O-N 3.02Å; T136-L139 PolarHBondContact O-N 2.82Å; L139-Q141 PolarHBondContact O-N 2.88Å; L139-A142 PolarHBondContact O-N 2.93Å; L139-L143 HydrophobicContact CD1-CD1 3.91Å; L139-L143 HydrophobicContact CD1-CD2 4.46Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.96Å; L139-L143 HydrophobicContact CG-CG 4.5Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.25Å; L139-L143 PolarHBondContact O-N 3.31Å; L139-R179 HydrophobicContact CD1-CB 3.79Å; L139-R179 HydrophobicContact CD1-CG 3.94Å; L139-R179 HydrophobicContact CD2-CB 4.2Å; L139-R179 HydrophobicContact CD2-CG 4.22Å; L139-A182 HydrophobicContact CD1-CB 4.43Å; L139-A183 HydrophobicContact CB-CB 4.08Å
140Q93.1Very high90.7Very high120 Ų12057.9 Ų57.956%0.56132%0.32SS*.Hα-helixtrans-59.2-44177-72.5170-12.900112.2T136 K137 S144T136-Q140 WeakPolarHBondContact O-CG 3.32Å; T136-Q140 PolarHBondContact O-N 3.35Å; K137-Q140 PolarHBondContact O-N 3.31Å; Q140-S144 WeakPolarHBondContact O-CB 3.45Å; Q140-S144 PolarHBondContact O-N 3.47Å; Q140-S144 PolarHBondContact O-OG 3.11Å
141Q92Very high90.8Very high39 Ų3953.5 Ų53.518%0.18230%0.302CS..Hα-helixtrans-62.3-44.1174.4-178.2178.7-23.400111.7K137 M138 L139 S144 S145 V186K137-Q141 WeakPolarHBondContact O-CB 3.14Å; K137-Q141 PolarHBondContact O-N 3.49Å; M138-Q141 PolarHBondContact O-N 3.33Å; L139-Q141 PolarHBondContact O-N 2.88Å; Q141-S144 PolarHBondContact O-N 2.84Å; Q141-S145 PolarHBondContact O-N 2.75Å; Q141-S145 PolarHBondContact O-OG 2.74Å; Q141-V186 HydrophobicContact CB-CG2 4.28Å; Q141-V186 HydrophobicContact CG-CB 4.48Å; Q141-V186 HydrophobicContact CG-CG2 4.32Å
142A92.6Very high91Very high0 Ų051.5 Ų51.50%029%0.292CS..Hα-helixtrans-62.3-46-179.600000112.7M138 L139 S144 S145 S146 A182 V186M138-A142 VanDerWaalsContact O-CB 3.29Å; M138-A142 WeakPolarHBondContact O-CB 3.36Å; M138-A142 PolarHBondContact O-N 3.23Å; L139-A142 PolarHBondContact O-N 2.93Å; A142-S144 PolarHBondContact O-N 3.18Å; A142-S145 PolarHBondContact O-N 3.42Å; A142-S146 WeakPolarHBondContact O-CB 3.26Å; A142-S146 PolarHBondContact O-N 3.46Å; A142-A182 VanDerWaalsContact CB-C 3.41Å; A142-A182 HydrophobicContact CB-CB 4Å; A142-A182 WeakPolarHBondContact CB-O 3.33Å; A142-V186 HydrophobicContact CB-CG1 4.01Å; A142-V186 HydrophobicContact CB-CG2 3.9Å
143L91.2Very high91.2Very high44 Ų4445.6 Ų45.623%0.2327%0.267CS..Hα-helixtrans-64-27.2177.5-63.2168.8000112.5I14 I18 L139 F178I14-L143 HydrophobicContact CG2-CD2 3.82Å; I18-L143 HydrophobicContact CD1-CD1 3.64Å; I18-L143 HydrophobicContact CD1-CD2 3.88Å; I18-L143 HydrophobicContact CD1-CG 4.42Å; I18-L143 HydrophobicContact CG1-CD1 4.09Å; I18-L143 HydrophobicContact CG1-CD2 4.14Å; L139-L143 HydrophobicContact CD1-CD1 3.91Å; L139-L143 HydrophobicContact CD1-CD2 4.46Å; L139-L143 HydrophobicContact CD1-CG 4.05Å; L139-L143 HydrophobicContact CG-CD1 3.96Å; L139-L143 HydrophobicContact CG-CG 4.5Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.25Å; L139-L143 PolarHBondContact O-N 3.31Å; L143-F178 HydrophobicContact CD2-CE1 4.19Å
144S86Confident91.3Very high74 Ų7445.5 Ų45.552%0.51727%0.266SS..Hα-helixtrans-87.1-23179.2-52.80000114.2Q140 Q141 A142Q140-S144 WeakPolarHBondContact O-CB 3.45Å; Q140-S144 PolarHBondContact O-N 3.47Å; Q140-S144 PolarHBondContact O-OG 3.11Å; Q141-S144 PolarHBondContact O-N 2.84Å; A142-S144 PolarHBondContact O-N 3.18Å
145S80.5Confident91.3Very high67 Ų6744.2 Ų44.247%0.46926%0.259SS..Hα-helixtrans-148.1-7.3-164.768.70000117.6Q141 A142 G147Q141-S145 PolarHBondContact O-N 2.75Å; Q141-S145 PolarHBondContact O-OG 2.74Å; A142-S145 PolarHBondContact O-N 3.42Å; S145-G147 PolarHBondContact O-N 3.19Å
146S80.2Confident91.3Very high18 Ų1843.6 Ų43.613%0.12626%0.257CS..  trans-77.1119.3-175.9-176.70000111.7A142 S148 L149 S185A142-S146 WeakPolarHBondContact O-CB 3.26Å; A142-S146 PolarHBondContact O-N 3.46Å; S146-S148 PolarHBondContact O-N 2.79Å; S146-S148 PolarHBondContact OG-N 3.24Å; S146-L149 WeakPolarHBondContact O-CG 3.47Å; S146-S185 PolarHBondContact OG-OG 3.19Å
147G84.4Confident91.2Very high78 Ų7843.4 Ų43.480%0.80425%0.253SS*.THydrogen-bonded Turntrans-70-9.8171.500000113.9S145S145-G147 PolarHBondContact O-N 3.19Å
148S89.3Confident91.1Very high32 Ų3244.5 Ų44.522%0.22426%0.255CS..THydrogen-bonded Turntrans-85.8-12.9-174.3-61.30000114.6S146 N150 Q151 I152S146-S148 PolarHBondContact O-N 2.79Å; S146-S148 PolarHBondContact OG-N 3.24Å; S148-N150 PolarHBondContact O-N 3.1Å; S148-N150 VanDerWaalsContact O-N 3.13Å; S148-Q151 PolarHBondContact O-N 2.98Å; S148-I152 WeakPolarHBondContact O-CG1 3.08Å; S148-I152 PolarHBondContact O-N 3.07Å
149L93.1Very high91Very high5 Ų544.7 Ų44.73%0.02626%0.256CS..Hα-helixtrans-56-36.1-169.9-59.7179.1000113.4F13 I14 S146 I152 D153 F178 A182F13-L149 HydrophobicContact CE2-CB 4.49Å; F13-L149 HydrophobicContact CZ-CB 4.19Å; I14-L149 HydrophobicContact CD1-CD1 3.54Å; I14-L149 HydrophobicContact CG1-CD1 4.19Å; S146-L149 WeakPolarHBondContact O-CG 3.47Å; L149-I152 HydrophobicContact CD2-CD1 4.38Å; L149-I152 PolarHBondContact O-N 2.91Å; L149-D153 PolarHBondContact O-N 2.99Å; L149-F178 HydrophobicContact CB-CZ 4.15Å; L149-F178 HydrophobicContact CD2-CE1 4.41Å; L149-F178 HydrophobicContact CD2-CZ 3.9Å; L149-F178 HydrophobicContact CG-CZ 4.46Å; L149-A182 HydrophobicContact CD2-CB 3.62Å
150N91.9Very high90.8Very high79 Ų7944.2 Ų44.242%0.42225%0.253SS..Hα-helixtrans-64.6-40.2176.6-63.22.4000112.3V10 F13 S148 I152 D153 L154V10-N150 WeakPolarHBondContact CG2-OD1 3.29Å; F13-N150 WeakPolarHBondContact CE1-OD1 3.43Å; F13-N150 WeakPolarHBondContact CZ-OD1 3.25Å; S148-N150 PolarHBondContact O-N 3.1Å; S148-N150 VanDerWaalsContact O-N 3.13Å; N150-I152 VanDerWaalsContact C-N 3.35Å; N150-D153 PolarHBondContact O-N 2.86Å; N150-L154 WeakPolarHBondContact O-CG 3.31Å; N150-L154 PolarHBondContact O-N 3.14Å
151Q92.3Very high90.6Very high69 Ų6942.2 Ų42.232%0.32224%0.24SC..Hα-helixtrans-72.7-33.2177.4-170.85861.600111.2S148 L154 D155 Y193S148-Q151 PolarHBondContact O-N 2.98Å; Q151-L154 PolarHBondContact O-N 2.77Å; Q151-D155 PolarHBondContact NE2-OD1 2.91Å; Q151-D155 WeakPolarHBondContact O-CB 3.4Å; Q151-D155 PolarHBondContact O-N 3.28Å; Q151-Y193 HydrophobicContact CB-CD1 4.46Å; Q151-Y193 HydrophobicContact CG-CD1 4.22Å; Q151-Y193 HydrophobicContact CG-CE1 4.07Å
152I95.6Very high90.3Very high0 Ų044.1 Ų44.10%025%0.252CS..Hα-helixtrans-65-43.4174.1-63167.5000110.2S148 L149 N150 L154 D155 V156 F178 L181 Y193S148-I152 WeakPolarHBondContact O-CG1 3.08Å; S148-I152 PolarHBondContact O-N 3.07Å; L149-I152 HydrophobicContact CD2-CD1 4.38Å; L149-I152 PolarHBondContact O-N 2.91Å; N150-I152 VanDerWaalsContact C-N 3.35Å; I152-L154 PolarHBondContact O-N 3.16Å; I152-D155 PolarHBondContact O-N 2.98Å; I152-V156 HydrophobicContact CG2-CG2 3.96Å; I152-V156 VanDerWaalsContact O-CB 3.32Å; I152-V156 WeakPolarHBondContact O-CB 3.42Å; I152-V156 WeakPolarHBondContact O-CG2 3.47Å; I152-V156 PolarHBondContact O-N 2.72Å; I152-F178 HydrophobicContact CB-CD2 4.34Å; I152-F178 HydrophobicContact CB-CE2 4.25Å; I152-F178 HydrophobicContact CG2-CD2 3.59Å; I152-F178 HydrophobicContact CG2-CE2 3.97Å; I152-F178 HydrophobicContact CG2-CG 4.35Å; I152-L181 HydrophobicContact CD1-CB 4.15Å; I152-L181 HydrophobicContact CG1-CB 4.32Å; I152-L181 HydrophobicContact CG2-CB 3.8Å; I152-L181 HydrophobicContact CG2-CD1 4Å; I152-Y193 HydrophobicContact CD1-CD2 4.2Å; I152-Y193 HydrophobicContact CD1-CG 4.04Å; I152-Y193 HydrophobicContact CG1-CD1 3.75Å; I152-Y193 HydrophobicContact CG1-CD2 3.78Å; I152-Y193 HydrophobicContact CG1-CE1 4.12Å; I152-Y193 HydrophobicContact CG1-CE2 4.16Å; I152-Y193 HydrophobicContact CG1-CG 3.58Å
153D93.9Very high89.9Confident20 Ų2044.1 Ų44.111%0.10725%0.252CS..Hα-helixtrans-58.9-47.5174.8-176.775.8000112.7F13 Y17 L149 N150 D155 V156 N157 R169F13-D153 HydrophobicContact CD2-CB 4.05Å; F13-D153 HydrophobicContact CE2-CB 3.8Å; F13-D153 HydrophobicContact CZ-CB 4.22Å; Y17-D153 HydrophobicContact CE2-CB 4.36Å; Y17-D153 WeakPolarHBondContact CE2-OD1 3.39Å; Y17-D153 VanDerWaalsContact CZ-OD1 3.24Å; Y17-D153 PolarHBondContact OH-OD1 3.05Å; L149-D153 PolarHBondContact O-N 2.99Å; N150-D153 PolarHBondContact O-N 2.86Å; D153-D155 VanDerWaalsContact C-N 3.26Å; D153-D155 PolarHBondContact O-N 3.19Å; D153-V156 PolarHBondContact O-N 3.48Å; D153-N157 VanDerWaalsContact O-CB 3.29Å; D153-N157 WeakPolarHBondContact O-CB 2.96Å; D153-N157 PolarHBondContact O-N 3.1Å; D153-R169 IonicContact OD1-CZ 3.84Å; D153-R169 IonicContact OD1-NH2 2.76Å; D153-R169 PolarHBondContact OD1-NH2 3.42Å; D153-R169 IonicContact OD2-CZ 2.81Å; D153-R169 IonicContact OD2-NH2 3.68Å; D153-R169 PolarHBondContact OD2-NH2 3.22Å
154L93.1Very high89.7Confident94 Ų9442.8 Ų42.849%0.49225%0.245SC..Hα-helixtrans-61-34.6178.5-70.2173.8000112.6N150 Q151 I152 R158N150-L154 WeakPolarHBondContact O-CG 3.31Å; N150-L154 PolarHBondContact O-N 3.14Å; Q151-L154 PolarHBondContact O-N 2.77Å; I152-L154 PolarHBondContact O-N 3.16Å; L154-R158 PolarHBondContact O-NE 3.25Å
155D94.8Very high89.7Confident1 Ų141.5 Ų41.51%0.00523%0.23CC..Hα-helixtrans-79.7-46.5178.2-76.315000112Q151 I152 D153 N157 R158 T159 Y193 Q195Q151-D155 PolarHBondContact NE2-OD1 2.91Å; Q151-D155 WeakPolarHBondContact O-CB 3.4Å; Q151-D155 PolarHBondContact O-N 3.28Å; I152-D155 PolarHBondContact O-N 2.98Å; D153-D155 VanDerWaalsContact C-N 3.26Å; D153-D155 PolarHBondContact O-N 3.19Å; D155-N157 PolarHBondContact O-N 3.04Å; D155-R158 WeakPolarHBondContact O-CG 3.24Å; D155-R158 PolarHBondContact O-N 3.26Å; D155-R158 IonicContact OD1-CZ 2.62Å; D155-R158 IonicContact OD1-NE 3.44Å; D155-R158 PolarHBondContact OD1-NE 3.43Å; D155-R158 IonicContact OD1-NH2 3.59Å; D155-R158 PolarHBondContact OD1-NH2 3.04Å; D155-T159 PolarHBondContact O-N 2.76Å; D155-T159 PolarHBondContact O-OG1 3.29Å; D155-Y193 WeakPolarHBondContact CB-OH 3.32Å; D155-Y193 VanDerWaalsContact OD2-CE1 3.31Å; D155-Y193 WeakPolarHBondContact OD2-CE1 3.41Å; D155-Y193 PolarHBondContact OD2-OH 2.69Å; D155-Q195 WeakPolarHBondContact OD2-CG 3.28Å
156V94.6Very high90.2Very high0 Ų038.3 Ų38.30%021%0.207CC..Hα-helixtrans-56.5-38.3175.2169.60000111.2Y17 I152 D153 R158 T159 Q174 L177 F178 L181Y17-V156 HydrophobicContact CE1-CG1 4.07Å; I152-V156 HydrophobicContact CG2-CG2 3.96Å; I152-V156 VanDerWaalsContact O-CB 3.32Å; I152-V156 WeakPolarHBondContact O-CB 3.42Å; I152-V156 WeakPolarHBondContact O-CG2 3.47Å; I152-V156 PolarHBondContact O-N 2.72Å; D153-V156 PolarHBondContact O-N 3.48Å; V156-R158 PolarHBondContact O-N 3.4Å; V156-T159 PolarHBondContact O-N 2.82Å; V156-Q174 HydrophobicContact CG1-CB 3.83Å; V156-Q174 HydrophobicContact CG1-CG 3.91Å; V156-Q174 PolarHBondContact O-NE2 3.19Å; V156-L177 HydrophobicContact CG1-CD2 4.46Å; V156-L177 HydrophobicContact CG2-CB 4.47Å; V156-L177 HydrophobicContact CG2-CD2 3.98Å; V156-L177 HydrophobicContact CG2-CG 3.94Å; V156-F178 HydrophobicContact CG2-CB 4.38Å; V156-L181 HydrophobicContact CG2-CD1 4.22Å
157N92.7Very high90.4Very high64 Ų6441.4 Ų41.434%0.34222%0.216SC..THydrogen-bonded Turntrans-64.5-17.7177-176.257.7000114.8D153 D155 R161 R169D153-N157 VanDerWaalsContact O-CB 3.29Å; D153-N157 WeakPolarHBondContact O-CB 2.96Å; D153-N157 PolarHBondContact O-N 3.1Å; D155-N157 PolarHBondContact O-N 3.04Å; N157-R161 WeakPolarHBondContact O-CD 3.48Å; N157-R161 VanDerWaalsContact O-CG 3.25Å; N157-R161 WeakPolarHBondContact O-CG 3.26Å; N157-R161 PolarHBondContact O-NE 2.99Å; N157-R169 WeakPolarHBondContact OD1-CD 3.5Å; N157-R169 PolarHBondContact OD1-NH1 3.35Å
158R92.3Very high90.5Very high107 Ų10740.3 Ų40.340%0.40419%0.192SC..THydrogen-bonded Turntrans-113.4-16.3177.557.3-179.6157.9-142.1-5.9114.6L154 D155 V156 F160L154-R158 PolarHBondContact O-NE 3.25Å; D155-R158 WeakPolarHBondContact O-CG 3.24Å; D155-R158 PolarHBondContact O-N 3.26Å; D155-R158 IonicContact OD1-CZ 2.62Å; D155-R158 IonicContact OD1-NE 3.44Å; D155-R158 PolarHBondContact OD1-NE 3.43Å; D155-R158 IonicContact OD1-NH2 3.59Å; D155-R158 PolarHBondContact OD1-NH2 3.04Å; V156-R158 PolarHBondContact O-N 3.4Å; R158-F160 PolarHBondContact O-N 3.18Å
159T93.1Very high90.6Very high3 Ų341.9 Ų41.92%0.01819%0.193CC..THydrogen-bonded Turntrans-62.6122.1179.6-53.60000111.4D155 V156 R161 L177 S198D155-T159 PolarHBondContact O-N 2.76Å; D155-T159 PolarHBondContact O-OG1 3.29Å; V156-T159 PolarHBondContact O-N 2.82Å; T159-R161 PolarHBondContact O-N 3.43Å; T159-L177 HydrophobicContact CG2-CD2 3.82Å; T159-S198 WeakPolarHBondContact CG2-O 3.41Å; T159-S198 VanDerWaalsContact OG1-CB 3.24Å; T159-S198 WeakPolarHBondContact OG1-CB 3.19Å; T159-S198 PolarHBondContact OG1-OG 3.39Å
160F90.2Very high90.4Very high14 Ų1443.5 Ų43.56%0.06120%0.199CC..THydrogen-bonded Turntrans43.137.2171.7-57.7-46.4000115.9R158 N162 T163 F166 E199 L203 I206 L282R158-F160 PolarHBondContact O-N 3.18Å; F160-N162 PolarHBondContact O-N 3.36Å; F160-N162 VanDerWaalsContact O-N 3.11Å; F160-T163 HydrophobicContact CB-CG2 3.89Å; F160-T163 WeakPolarHBondContact O-CB 3.44Å; F160-T163 PolarHBondContact O-N 3.41Å; F160-T163 PolarHBondContact O-OG1 3.22Å; F160-F166 HydrophobicContact CB-CB 4.49Å; F160-F166 HydrophobicContact CB-CD2 3.72Å; F160-F166 HydrophobicContact CB-CE2 4.38Å; F160-F166 HydrophobicContact CB-CG 4.43Å; F160-F166 HydrophobicContact CD2-CD2 4.26Å; F160-F166 HydrophobicContact CD2-CE2 4.09Å; F160-E199 HydrophobicContact CE2-CB 4.41Å; F160-E199 VanDerWaalsContact CE2-O 3.27Å; F160-E199 WeakPolarHBondContact CE2-O 3.41Å; F160-E199 HydrophobicContact CZ-CB 3.98Å; F160-E199 HydrophobicContact CZ-CG 4.48Å; F160-L203 HydrophobicContact CE2-CB 4.36Å; F160-I206 HydrophobicContact CD2-CD1 4.35Å; F160-L282 HydrophobicContact CZ-CD1 4.5Å; F160-L282 HydrophobicContact CZ-CD2 4.16Å
161R88.4Confident90.3Very high78 Ų7840.2 Ų40.229%0.29418%0.183SC..THydrogen-bonded Turntrans-66-14.8-173.8-64.3-70.9-68.9153.314.2114.5N157 T159 F166 R167 D168N157-R161 WeakPolarHBondContact O-CD 3.48Å; N157-R161 VanDerWaalsContact O-CG 3.25Å; N157-R161 WeakPolarHBondContact O-CG 3.26Å; N157-R161 PolarHBondContact O-NE 2.99Å; T159-R161 PolarHBondContact O-N 3.43Å; R161-F166 WeakPolarHBondContact CD-O 3.49Å; R161-F166 PolarHBondContact NH1-O 2.76Å; R161-R167 PolarHBondContact NH1-O 3.08Å; R161-R167 PolarHBondContact NH2-O 3.28Å; R161-D168 VanDerWaalsContact NH1-C 3.33Å; R161-D168 PolarHBondContact NH1-O 2.9Å
162N85.2Confident90.3Very high79 Ų7942.2 Ų42.242%0.42220%0.203SC..THydrogen-bonded Turntrans-82.1-10.1169.259.3-20.4000113.3Y47 F160Y47-N162 WeakPolarHBondContact CB-O 3.28Å; Y47-N162 PolarHBondContact N-O 2.85Å; F160-N162 PolarHBondContact O-N 3.36Å; F160-N162 VanDerWaalsContact O-N 3.11Å
163T85.4Confident90.2Very high0 Ų044.8 Ų44.80%021%0.212CC..BIsolated β-bridgetrans-84.2146.7174.6660000112.1G45 F46 F160 Y165 F166 R167G45-T163 WeakPolarHBondContact O-CA 3.28Å; F46-T163 HydrophobicContact CD1-CG2 3.53Å; F46-T163 HydrophobicContact CD2-CG2 4.06Å; F46-T163 HydrophobicContact CE1-CG2 3.34Å; F46-T163 HydrophobicContact CE2-CG2 3.87Å; F46-T163 HydrophobicContact CG-CG2 3.88Å; F46-T163 HydrophobicContact CZ-CG2 3.52Å; F160-T163 HydrophobicContact CB-CG2 3.89Å; F160-T163 WeakPolarHBondContact O-CB 3.44Å; F160-T163 PolarHBondContact O-N 3.41Å; F160-T163 PolarHBondContact O-OG1 3.22Å; T163-Y165 PolarHBondContact O-N 2.88Å; T163-Y165 VanDerWaalsContact O-N 3.12Å; T163-F166 PolarHBondContact O-N 2.92Å; T163-F166 WeakPolarHBondContact OG1-CD2 3.34Å; T163-F166 PolarHBondContact OG1-N 3.09Å; T163-R167 WeakPolarHBondContact O-CB 3.24Å; T163-R167 PolarHBondContact O-N 3.07Å
164V86.1Confident90.2Very high16 Ų1643.9 Ų43.910%0.09721%0.207CC..THydrogen-bonded Turntrans-50.6-29.3166.7-68.60000113.8R41 G45 P838R41-V164 HydrophobicContact CG-CG1 4.12Å; G45-V164 WeakPolarHBondContact O-CG2 3.34Å; G45-V164 PolarHBondContact O-N 3.18Å; V164-P838 HydrophobicContact CB-CG 3.9Å; V164-P838 HydrophobicContact CG1-CG 4.49Å; V164-P838 HydrophobicContact CG2-CB 3.96Å; V164-P838 HydrophobicContact CG2-CG 3.32Å
165Y87.2Confident90.4Very high48 Ų4839.4 Ų39.419%0.18818%0.184CC..THydrogen-bonded Turntrans-74.4-40.1-178.1-55.5-74.1000112.8T163 R173 I206 P838T163-Y165 PolarHBondContact O-N 2.88Å; T163-Y165 VanDerWaalsContact O-N 3.12Å; Y165-R173 WeakPolarHBondContact O-CB 3.29Å; Y165-I206 HydrophobicContact CD2-CB 4.45Å; Y165-I206 HydrophobicContact CD2-CD1 4.47Å; Y165-I206 HydrophobicContact CD2-CG1 3.93Å; Y165-I206 HydrophobicContact CD2-CG2 4.05Å; Y165-I206 HydrophobicContact CE2-CG1 4.48Å; Y165-I206 HydrophobicContact CE2-CG2 3.73Å; Y165-I206 HydrophobicContact CG-CG1 4.38Å; Y165-P838 HydrophobicContact CE1-CG 4.21Å
166F90.2Very high90.4Very high0 Ų039.7 Ų39.70%019%0.187CC..THydrogen-bonded Turntrans-115.67.6-171.7-58.9-79.3000114.8F160 R161 T163 D168 R173 Q174 L177 G202 L205 I206F160-F166 HydrophobicContact CB-CB 4.49Å; F160-F166 HydrophobicContact CB-CD2 3.72Å; F160-F166 HydrophobicContact CB-CE2 4.38Å; F160-F166 HydrophobicContact CB-CG 4.43Å; F160-F166 HydrophobicContact CD2-CD2 4.26Å; F160-F166 HydrophobicContact CD2-CE2 4.09Å; R161-F166 WeakPolarHBondContact CD-O 3.49Å; R161-F166 PolarHBondContact NH1-O 2.76Å; T163-F166 PolarHBondContact O-N 2.92Å; T163-F166 WeakPolarHBondContact OG1-CD2 3.34Å; T163-F166 PolarHBondContact OG1-N 3.09Å; F166-D168 PolarHBondContact O-N 3.32Å; F166-R173 HydrophobicContact CD1-CB 3.96Å; F166-R173 HydrophobicContact CE1-CB 3.73Å; F166-R173 WeakPolarHBondContact CE1-O 3.43Å; F166-R173 HydrophobicContact CZ-CB 4.29Å; F166-Q174 HydrophobicContact CB-CG 4.27Å; F166-Q174 HydrophobicContact CD1-CG 3.9Å; F166-Q174 PolarHBondContact O-NE2 3.02Å; F166-L177 HydrophobicContact CD1-CD2 4.36Å; F166-L177 HydrophobicContact CE1-CB 4.06Å; F166-L177 HydrophobicContact CE1-CD2 3.96Å; F166-G202 WeakPolarHBondContact CZ-O 3.3Å; F166-L205 HydrophobicContact CZ-CB 3.97Å; F166-I206 HydrophobicContact CE2-CD1 4.36Å; F166-I206 HydrophobicContact CE2-CG1 3.84Å
167R85.7Confident90.6Very high83 Ų8339.7 Ų39.731%0.31319%0.187SC..  trans-62-34.7-179.7-169.7-173.7-170-173.914.5114.3D37 R161 T163D37-R167 IonicContact OD1-CZ 3.71Å; D37-R167 IonicContact OD1-NH1 2.9Å; D37-R167 PolarHBondContact OD1-NH1 2.95Å; D37-R167 IonicContact OD1-NH2 2.64Å; D37-R167 PolarHBondContact OD1-NH2 3.38Å; D37-R167 VanDerWaalsContact OD1-NH2 3.1Å; D37-R167 IonicContact OD2-CZ 2.74Å; D37-R167 IonicContact OD2-NH1 3.69Å; D37-R167 PolarHBondContact OD2-NH1 3.43Å; D37-R167 IonicContact OD2-NH2 3.1Å; R161-R167 PolarHBondContact NH1-O 3.08Å; R161-R167 PolarHBondContact NH2-O 3.28Å; T163-R167 WeakPolarHBondContact O-CB 3.24Å; T163-R167 PolarHBondContact O-N 3.07Å
168D86.6Confident90.8Very high55 Ų5536.7 Ų36.729%0.29417%0.17SC..SBendtrans-86.4127.3-178.1-63.5-33.7000111.3R161 F166 Y170 G171 Q174R161-D168 VanDerWaalsContact NH1-C 3.33Å; R161-D168 PolarHBondContact NH1-O 2.9Å; F166-D168 PolarHBondContact O-N 3.32Å; D168-Y170 PolarHBondContact O-N 3.35Å; D168-G171 PolarHBondContact O-N 2.83Å; D168-Q174 PolarHBondContact O-OE1 2.71Å
169R89.5Confident91Very high65 Ų6533.5 Ų33.525%0.24516%0.159CC..THydrogen-bonded Turntrans-74.9122.9179.8178.957-171.3-84.52.2109.1D153 N157 Q174D153-R169 IonicContact OD1-CZ 3.84Å; D153-R169 IonicContact OD1-NH2 2.76Å; D153-R169 PolarHBondContact OD1-NH2 3.42Å; D153-R169 IonicContact OD2-CZ 2.81Å; D153-R169 IonicContact OD2-NH2 3.68Å; D153-R169 PolarHBondContact OD2-NH2 3.22Å; N157-R169 WeakPolarHBondContact OD1-CD 3.5Å; N157-R169 PolarHBondContact OD1-NH1 3.35Å; R169-Q174 VanDerWaalsContact CA-OE1 3.3Å
170Y89.9Confident91.3Very high39 Ų3933.4 Ų33.415%0.15316%0.158CC..THydrogen-bonded Turntrans63.623.5-164.6-39.5-77.7000113.7K16 Y17 D168 C175K16-Y170 HydrophobicContact CB-CD1 3.52Å; K16-Y170 HydrophobicContact CB-CD2 4.28Å; K16-Y170 HydrophobicContact CB-CE1 3.6Å; K16-Y170 HydrophobicContact CB-CE2 4.35Å; K16-Y170 HydrophobicContact CB-CG 3.89Å; K16-Y170 HydrophobicContact CD-CD2 4.27Å; K16-Y170 HydrophobicContact CD-CE1 4Å; K16-Y170 HydrophobicContact CD-CE2 3.68Å; K16-Y170 HydrophobicContact CG-CE1 4.42Å; Y17-Y170 AromaticContact CD1-CD1 3.78Å; Y17-Y170 HydrophobicContact CD1-CD1 3.78Å; Y17-Y170 HydrophobicContact CD2-CD1 4.37Å; Y17-Y170 HydrophobicContact CD2-CE1 4.39Å; Y17-Y170 AromaticContact CE1-CD1 3.53Å; Y17-Y170 HydrophobicContact CE1-CD1 3.53Å; Y17-Y170 HydrophobicContact CE1-CE1 4.08Å; Y17-Y170 HydrophobicContact CE2-CD1 4.15Å; Y17-Y170 AromaticContact CE2-CE1 3.93Å; Y17-Y170 HydrophobicContact CE2-CE1 3.93Å; Y17-Y170 HydrophobicContact CG-CD1 4.21Å; Y17-Y170 AromaticContact CZ-CD1 3.72Å; Y17-Y170 AromaticContact CZ-CE1 3.76Å; D168-Y170 PolarHBondContact O-N 3.35Å; Y170-C175 PolarHBondContact O-SG 3.28Å
171G90.5Very high91.6Very high9 Ų932.7 Ų32.79%0.09316%0.155CC..  trans-67.4160.7168.500000112.1D168 R173 Q174 C175D168-G171 PolarHBondContact O-N 2.83Å; G171-R173 VanDerWaalsContact C-N 3.32Å; G171-R173 PolarHBondContact O-N 3.35Å; G171-R173 VanDerWaalsContact O-N 3.12Å; G171-Q174 WeakPolarHBondContact O-CA 3.38Å; G171-Q174 WeakPolarHBondContact O-CB 3.4Å; G171-Q174 PolarHBondContact O-N 3.4Å; G171-C175 PolarHBondContact O-N 3.42Å; G171-C175 PolarHBondContact O-SG 3.38Å
172P91.9Very high92Very high112 Ų11229 Ų2973%0.72714%0.141SC*.Hα-helixtrans-53.2-41.9-167.9-29.235.6000115.1C175 A176P172-C175 PolarHBondContact O-N 3.03Å; P172-A176 PolarHBondContact O-N 2.79Å
173R93.7Very high92.5Very high54 Ų5425.2 Ų25.220%0.20412%0.121CC..Hα-helixtrans-72.6-32.4178.5-67.1-88.1155.5-159.8-17.4112.5Y165 F166 G171 A176 L177 L205 I208 E209Y165-R173 WeakPolarHBondContact O-CB 3.29Å; F166-R173 HydrophobicContact CD1-CB 3.96Å; F166-R173 HydrophobicContact CE1-CB 3.73Å; F166-R173 WeakPolarHBondContact CE1-O 3.43Å; F166-R173 HydrophobicContact CZ-CB 4.29Å; G171-R173 VanDerWaalsContact C-N 3.32Å; G171-R173 PolarHBondContact O-N 3.35Å; G171-R173 VanDerWaalsContact O-N 3.12Å; R173-A176 PolarHBondContact O-N 3.07Å; R173-L177 WeakPolarHBondContact O-CB 3.27Å; R173-L177 PolarHBondContact O-N 2.82Å; R173-L205 VanDerWaalsContact CD-O 3.23Å; R173-L205 WeakPolarHBondContact CD-O 3.24Å; R173-L205 PolarHBondContact NH1-O 3.38Å; R173-I208 PolarHBondContact NH1-O 3.18Å; R173-E209 PolarHBondContact NH1-O 3.29Å; R173-E209 PolarHBondContact NH2-O 3.44Å
174Q94.1Very high93.1Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-66.1-38.6170.3-79.4-158.9-20.300112V156 F166 D168 R169 G171 L177 F178V156-Q174 HydrophobicContact CG1-CB 3.83Å; V156-Q174 HydrophobicContact CG1-CG 3.91Å; V156-Q174 PolarHBondContact O-NE2 3.19Å; F166-Q174 HydrophobicContact CB-CG 4.27Å; F166-Q174 HydrophobicContact CD1-CG 3.9Å; F166-Q174 PolarHBondContact O-NE2 3.02Å; D168-Q174 PolarHBondContact O-OE1 2.71Å; R169-Q174 VanDerWaalsContact CA-OE1 3.3Å; G171-Q174 WeakPolarHBondContact O-CA 3.38Å; G171-Q174 WeakPolarHBondContact O-CB 3.4Å; G171-Q174 PolarHBondContact O-N 3.4Å; Q174-L177 PolarHBondContact O-N 3.36Å; Q174-F178 WeakPolarHBondContact O-CB 3.29Å; Q174-F178 PolarHBondContact O-N 2.82Å
175C95.7Very high93.5Very high1 Ų124.9 Ų24.91%0.00712%0.119CC..Hα-helixtrans-65.7-41.2175.1-58.70000111.9Y17 Y170 G171 P172 F178 R179Y17-C175 HydrophobicContact CD1-CB 4.3Å; Y17-C175 WeakPolarHBondContact O-CB 3.25Å; Y170-C175 PolarHBondContact O-SG 3.28Å; G171-C175 PolarHBondContact O-N 3.42Å; G171-C175 PolarHBondContact O-SG 3.38Å; P172-C175 PolarHBondContact O-N 3.03Å; C175-F178 PolarHBondContact O-N 3.45Å; C175-R179 WeakPolarHBondContact O-CG 3.25Å; C175-R179 PolarHBondContact O-N 3.23Å
176A96.7Very high93.8Very high7 Ų723.2 Ų23.26%0.05811%0.114CC..Hα-helixtrans-60.3-45.8170.300000111.9P172 R173 F178 R179 V180 L205 E211P172-A176 PolarHBondContact O-N 2.79Å; R173-A176 PolarHBondContact O-N 3.07Å; A176-F178 PolarHBondContact O-N 3.38Å; A176-R179 PolarHBondContact O-N 2.82Å; A176-V180 WeakPolarHBondContact O-CB 3.32Å; A176-V180 VanDerWaalsContact O-CG2 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.34Å; A176-V180 PolarHBondContact O-N 3.5Å; A176-L205 HydrophobicContact CB-CD1 4.06Å; A176-L205 HydrophobicContact CB-CD2 3.96Å; A176-E211 HydrophobicContact CB-CB 3.98Å
177L97.2Very high94Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-60.7-44.5178.6-177.662.4000112V156 T159 F166 R173 Q174 R179 L181 A201 L205V156-L177 HydrophobicContact CG1-CD2 4.46Å; V156-L177 HydrophobicContact CG2-CB 4.47Å; V156-L177 HydrophobicContact CG2-CD2 3.98Å; V156-L177 HydrophobicContact CG2-CG 3.94Å; T159-L177 HydrophobicContact CG2-CD2 3.82Å; F166-L177 HydrophobicContact CD1-CD2 4.36Å; F166-L177 HydrophobicContact CE1-CB 4.06Å; F166-L177 HydrophobicContact CE1-CD2 3.96Å; R173-L177 WeakPolarHBondContact O-CB 3.27Å; R173-L177 PolarHBondContact O-N 2.82Å; Q174-L177 PolarHBondContact O-N 3.36Å; L177-R179 PolarHBondContact O-N 3.21Å; L177-L181 HydrophobicContact CD1-CD1 3.82Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.91Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.87Å; L177-A201 HydrophobicContact CD1-CB 3.53Å; L177-L205 HydrophobicContact CB-CD1 3.74Å; L177-L205 HydrophobicContact CD1-CD1 4.01Å
178F97Very high94.4Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-58.3-48.3174.6-177.8-92.7000111.7F13 I14 Y17 L143 L149 I152 V156 Q174 C175 A176 L181 A182F13-F178 HydrophobicContact CD2-CE2 4.43Å; F13-F178 AromaticContact CE2-CE2 3.75Å; F13-F178 HydrophobicContact CE2-CE2 3.75Å; F13-F178 AromaticContact CE2-CZ 3.83Å; F13-F178 HydrophobicContact CE2-CZ 3.83Å; I14-F178 HydrophobicContact CG1-CZ 4.34Å; Y17-F178 HydrophobicContact CD1-CB 3.74Å; Y17-F178 HydrophobicContact CD1-CG 4.03Å; Y17-F178 HydrophobicContact CD2-CB 4.05Å; Y17-F178 AromaticContact CD2-CD1 3.63Å; Y17-F178 HydrophobicContact CD2-CD1 3.63Å; Y17-F178 AromaticContact CD2-CD2 3.42Å; Y17-F178 HydrophobicContact CD2-CD2 3.42Å; Y17-F178 VanDerWaalsContact CD2-CD2 3.42Å; Y17-F178 AromaticContact CD2-CE1 3.87Å; Y17-F178 HydrophobicContact CD2-CE1 3.87Å; Y17-F178 AromaticContact CD2-CE2 3.71Å; Y17-F178 HydrophobicContact CD2-CE2 3.71Å; Y17-F178 AromaticContact CD2-CG 3.39Å; Y17-F178 HydrophobicContact CD2-CG 3.39Å; Y17-F178 AromaticContact CD2-CZ 3.91Å; Y17-F178 HydrophobicContact CD2-CZ 3.91Å; Y17-F178 HydrophobicContact CE1-CB 3.99Å; Y17-F178 HydrophobicContact CE1-CD2 4.49Å; Y17-F178 HydrophobicContact CE1-CG 4.34Å; Y17-F178 HydrophobicContact CE2-CB 4.28Å; Y17-F178 HydrophobicContact CE2-CD1 4.41Å; Y17-F178 AromaticContact CE2-CD2 3.35Å; Y17-F178 HydrophobicContact CE2-CD2 3.35Å; Y17-F178 AromaticContact CE2-CE2 3.72Å; Y17-F178 HydrophobicContact CE2-CE2 3.72Å; Y17-F178 AromaticContact CE2-CG 3.75Å; Y17-F178 HydrophobicContact CE2-CG 3.75Å; Y17-F178 HydrophobicContact CE2-CZ 4.37Å; Y17-F178 HydrophobicContact CG-CB 3.77Å; Y17-F178 AromaticContact CG-CD1 3.68Å; Y17-F178 HydrophobicContact CG-CD1 3.68Å; Y17-F178 HydrophobicContact CG-CD2 4.05Å; Y17-F178 HydrophobicContact CG-CE1 4.3Å; Y17-F178 AromaticContact CG-CG 3.54Å; Y17-F178 HydrophobicContact CG-CG 3.54Å; Y17-F178 AromaticContact CZ-CD2 3.94Å; L143-F178 HydrophobicContact CD2-CE1 4.19Å; L149-F178 HydrophobicContact CB-CZ 4.15Å; L149-F178 HydrophobicContact CD2-CE1 4.41Å; L149-F178 HydrophobicContact CD2-CZ 3.9Å; L149-F178 HydrophobicContact CG-CZ 4.46Å; I152-F178 HydrophobicContact CB-CD2 4.34Å; I152-F178 HydrophobicContact CB-CE2 4.25Å; I152-F178 HydrophobicContact CG2-CD2 3.59Å; I152-F178 HydrophobicContact CG2-CE2 3.97Å; I152-F178 HydrophobicContact CG2-CG 4.35Å; V156-F178 HydrophobicContact CG2-CB 4.38Å; Q174-F178 WeakPolarHBondContact O-CB 3.29Å; Q174-F178 PolarHBondContact O-N 2.82Å; C175-F178 PolarHBondContact O-N 3.45Å; A176-F178 PolarHBondContact O-N 3.38Å; F178-L181 PolarHBondContact O-N 2.85Å; F178-A182 WeakPolarHBondContact O-CB 3.47Å; F178-A182 PolarHBondContact O-N 3.28Å
179R97.5Very high94.5Very high41 Ų4117.4 Ų17.416%0.1559%0.089CC..Hα-helixtrans-66.8-42.2-179.4-68.8-174.6-55.7-108.34.5113Y17 I18 L139 C175 A176 L177 A182 A183 E211Y17-R179 PolarHBondContact O-NH1 3.33Å; I18-R179 HydrophobicContact CD1-CG 3.96Å; L139-R179 HydrophobicContact CD1-CB 3.79Å; L139-R179 HydrophobicContact CD1-CG 3.94Å; L139-R179 HydrophobicContact CD2-CB 4.2Å; L139-R179 HydrophobicContact CD2-CG 4.22Å; C175-R179 WeakPolarHBondContact O-CG 3.25Å; C175-R179 PolarHBondContact O-N 3.23Å; A176-R179 PolarHBondContact O-N 2.82Å; L177-R179 PolarHBondContact O-N 3.21Å; R179-A182 PolarHBondContact O-N 3.07Å; R179-A183 WeakPolarHBondContact O-CB 3.5Å; R179-A183 PolarHBondContact O-N 3.46Å; R179-E211 IonicContact CZ-OE1 2.81Å; R179-E211 IonicContact CZ-OE2 3.88Å; R179-E211 IonicContact NE-OE1 3.45Å; R179-E211 PolarHBondContact NE-OE1 3.45Å; R179-E211 IonicContact NE-OE2 2.61Å; R179-E211 PolarHBondContact NE-OE2 3.21Å; R179-E211 IonicContact NH2-OE1 3.61Å; R179-E211 PolarHBondContact NH2-OE1 2.94Å; R179-E211 IonicContact NH2-OE2 2.74Å; R179-E211 PolarHBondContact NH2-OE2 3Å
180V97.9Very high94.6Very high0 Ų015.8 Ų15.80%08%0.084CC..Hα-helixtrans-59-48.3175.3166.90000111.1A176 Y184 A201 L205 E211 F215 L218A176-V180 WeakPolarHBondContact O-CB 3.32Å; A176-V180 VanDerWaalsContact O-CG2 3.29Å; A176-V180 WeakPolarHBondContact O-CG2 3.34Å; A176-V180 PolarHBondContact O-N 3.5Å; V180-Y184 WeakPolarHBondContact O-CB 3.29Å; V180-Y184 PolarHBondContact O-N 3.3Å; V180-A201 HydrophobicContact CG1-CB 4.29Å; V180-L205 HydrophobicContact CG2-CD1 4.33Å; V180-E211 HydrophobicContact CG2-CB 4.24Å; V180-E211 VanDerWaalsContact CG2-O 3.27Å; V180-E211 WeakPolarHBondContact CG2-O 3.34Å; V180-F215 HydrophobicContact CG1-CB 4.11Å; V180-F215 HydrophobicContact CG2-CB 4.24Å; V180-L218 HydrophobicContact CG1-CD2 4.27Å
181L97.6Very high94.7Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-69.5-38.5179.4-66.1173.4000112.3I152 V156 L177 F178 Y184 S185 Y193 M197 A201 L218I152-L181 HydrophobicContact CD1-CB 4.15Å; I152-L181 HydrophobicContact CG1-CB 4.32Å; I152-L181 HydrophobicContact CG2-CB 3.8Å; I152-L181 HydrophobicContact CG2-CD1 4Å; V156-L181 HydrophobicContact CG2-CD1 4.22Å; L177-L181 HydrophobicContact CD1-CD1 3.82Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.91Å; L177-L181 WeakPolarHBondContact O-CB 3.48Å; L177-L181 WeakPolarHBondContact O-CG 3.28Å; L177-L181 PolarHBondContact O-N 2.87Å; F178-L181 PolarHBondContact O-N 2.85Å; L181-Y184 PolarHBondContact O-N 3.48Å; L181-S185 WeakPolarHBondContact O-CB 3.38Å; L181-S185 PolarHBondContact O-N 3.07Å; L181-Y193 HydrophobicContact CB-CD2 4.22Å; L181-Y193 HydrophobicContact CB-CE2 4.23Å; L181-Y193 HydrophobicContact CD1-CE2 3.87Å; L181-Y193 HydrophobicContact CD2-CD2 4.18Å; L181-Y193 HydrophobicContact CD2-CE2 3.78Å; L181-Y193 HydrophobicContact CG-CE2 4.16Å; L181-M197 HydrophobicContact CD2-CB 4.43Å; L181-A201 HydrophobicContact CD2-CB 3.61Å; L181-A201 HydrophobicContact CG-CB 4.2Å; L181-L218 HydrophobicContact CD2-CD2 4.28Å
182A96.5Very high94.7Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-61.1-53.717500000110.9L139 A142 L149 F178 R179 Y184 S185L139-A182 HydrophobicContact CD1-CB 4.43Å; A142-A182 VanDerWaalsContact CB-C 3.41Å; A142-A182 HydrophobicContact CB-CB 4Å; A142-A182 WeakPolarHBondContact CB-O 3.33Å; L149-A182 HydrophobicContact CD2-CB 3.62Å; F178-A182 WeakPolarHBondContact O-CB 3.47Å; F178-A182 PolarHBondContact O-N 3.28Å; R179-A182 PolarHBondContact O-N 3.07Å; A182-Y184 VanDerWaalsContact C-N 3.29Å; A182-Y184 PolarHBondContact O-N 3.27Å; A182-S185 WeakPolarHBondContact O-CB 3.3Å; A182-S185 PolarHBondContact O-N 2.87Å; A182-S185 VanDerWaalsContact O-N 3.1Å; A182-S185 PolarHBondContact O-OG 3.2Å
183A96.8Very high94.9Very high0 Ų09.8 Ų9.80%05%0.047CC..Hα-helixtrans-57.9-41.5176.700000111.8Y135 M138 L139 R179 S185 V186 Y187 F215Y135-A183 HydrophobicContact CD2-CB 3.9Å; Y135-A183 HydrophobicContact CE2-CB 3.75Å; M138-A183 HydrophobicContact CB-CB 4.19Å; L139-A183 HydrophobicContact CB-CB 4.08Å; R179-A183 WeakPolarHBondContact O-CB 3.5Å; R179-A183 PolarHBondContact O-N 3.46Å; A183-S185 VanDerWaalsContact C-N 3.32Å; A183-S185 PolarHBondContact O-N 3.31Å; A183-V186 WeakPolarHBondContact O-CG2 3.45Å; A183-V186 PolarHBondContact O-N 3.15Å; A183-Y187 WeakPolarHBondContact O-CB 3.25Å; A183-Y187 PolarHBondContact O-N 3.26Å; A183-F215 HydrophobicContact CB-CD2 4.09Å; A183-F215 HydrophobicContact CB-CE2 3.93Å
184Y96.4Very high94.8Very high0 Ų08.3 Ų8.30%04%0.044CC..Hα-helixtrans-65.1-35.5177.5-162.2-90.7000112.7V180 L181 A182 V186 Y187 N188 M197 F215 L218 N219 M222V180-Y184 WeakPolarHBondContact O-CB 3.29Å; V180-Y184 PolarHBondContact O-N 3.3Å; L181-Y184 PolarHBondContact O-N 3.48Å; A182-Y184 VanDerWaalsContact C-N 3.29Å; A182-Y184 PolarHBondContact O-N 3.27Å; Y184-V186 PolarHBondContact O-N 2.96Å; Y184-V186 VanDerWaalsContact O-N 3.13Å; Y184-Y187 HydrophobicContact CD2-CD1 4.32Å; Y184-Y187 HydrophobicContact CE2-CD1 4.03Å; Y184-Y187 PolarHBondContact O-N 3.32Å; Y184-N188 HydrophobicContact CE1-CB 3.79Å; Y184-N188 HydrophobicContact CE2-CB 4.46Å; Y184-N188 PolarHBondContact O-N 3Å; Y184-N188 VanDerWaalsContact O-N 3.12Å; Y184-N188 PolarHBondContact OH-ND2 2.67Å; Y184-M197 HydrophobicContact CD1-CE 3.57Å; Y184-M197 HydrophobicContact CE1-CE 3.88Å; Y184-F215 HydrophobicContact CD2-CD2 4.35Å; Y184-F215 HydrophobicContact CD2-CE2 4.02Å; Y184-L218 HydrophobicContact CD1-CD2 4.29Å; Y184-L218 HydrophobicContact CD2-CD2 4.02Å; Y184-L218 HydrophobicContact CD2-CG 4.32Å; Y184-L218 HydrophobicContact CG-CD2 3.81Å; Y184-L218 HydrophobicContact CG-CG 4.49Å; Y184-N219 HydrophobicContact CE2-CB 4.05Å; Y184-M222 HydrophobicContact CE1-CG 4.26Å; Y184-M222 WeakPolarHBondContact OH-CB 3.04Å; Y184-M222 WeakPolarHBondContact OH-CG 3.48Å
185S95Very high94.6Very high8 Ų89.5 Ų9.56%0.0565%0.05CC..Hα-helixtrans-62.4-18.8-179.678.10000115S146 L181 A182 A183 G192S146-S185 PolarHBondContact OG-OG 3.19Å; L181-S185 WeakPolarHBondContact O-CB 3.38Å; L181-S185 PolarHBondContact O-N 3.07Å; A182-S185 WeakPolarHBondContact O-CB 3.3Å; A182-S185 PolarHBondContact O-N 2.87Å; A182-S185 VanDerWaalsContact O-N 3.1Å; A182-S185 PolarHBondContact O-OG 3.2Å; A183-S185 VanDerWaalsContact C-N 3.32Å; A183-S185 PolarHBondContact O-N 3.31Å; S185-G192 WeakPolarHBondContact O-CA 3.17Å
186V93.7Very high94.2Very high14 Ų149.6 Ų9.69%0.0855%0.05CC..Hα-helixtrans-109.8-24.5171.9-580000113.1M138 Q141 A142 A183 Y184M138-V186 HydrophobicContact CB-CG2 4.07Å; M138-V186 WeakPolarHBondContact O-CG2 3.34Å; M138-V186 HydrophobicContact SD-CG2 3.99Å; Q141-V186 HydrophobicContact CB-CG2 4.28Å; Q141-V186 HydrophobicContact CG-CB 4.48Å; Q141-V186 HydrophobicContact CG-CG2 4.32Å; A142-V186 HydrophobicContact CB-CG1 4.01Å; A142-V186 HydrophobicContact CB-CG2 3.9Å; A183-V186 WeakPolarHBondContact O-CG2 3.45Å; A183-V186 PolarHBondContact O-N 3.15Å; Y184-V186 PolarHBondContact O-N 2.96Å; Y184-V186 VanDerWaalsContact O-N 3.13Å
187Y94.6Very high94.1Very high11 Ų119.3 Ų9.34%0.0435%0.048CC..Hα-helixtrans-64.5-39.9175.6177.3-98.3000112.9I134 M138 A183 Y184 F215 W216 N219 L378 G379I134-Y187 HydrophobicContact CG2-CD2 3.8Å; I134-Y187 HydrophobicContact CG2-CE2 3.76Å; M138-Y187 HydrophobicContact CG-CD2 3.95Å; M138-Y187 HydrophobicContact CG-CG 4.44Å; M138-Y187 WeakPolarHBondContact SD-CA 3.22Å; M138-Y187 HydrophobicContact SD-CD2 4.06Å; M138-Y187 HydrophobicContact SD-CG 4.46Å; A183-Y187 WeakPolarHBondContact O-CB 3.25Å; A183-Y187 PolarHBondContact O-N 3.26Å; Y184-Y187 HydrophobicContact CD2-CD1 4.32Å; Y184-Y187 HydrophobicContact CE2-CD1 4.03Å; Y184-Y187 PolarHBondContact O-N 3.32Å; Y187-F215 HydrophobicContact CD1-CZ 4.16Å; Y187-F215 HydrophobicContact CD2-CZ 4.13Å; Y187-F215 HydrophobicContact CG-CE2 4.43Å; Y187-F215 AromaticContact CG-CZ 3.79Å; Y187-F215 HydrophobicContact CG-CZ 3.79Å; Y187-W216 HydrophobicContact CE2-CH2 4.24Å; Y187-W216 HydrophobicContact CE2-CZ3 4.45Å; Y187-N219 WeakPolarHBondContact CE1-OD1 3.38Å; Y187-L378 HydrophobicContact CD1-CD2 4.43Å; Y187-L378 HydrophobicContact CE1-CB 4.23Å; Y187-L378 HydrophobicContact CE1-CD2 3.96Å; Y187-L378 CarbonylContact O-C 3.53Å; Y187-L378 VanDerWaalsContact O-CA 3.29Å; Y187-L378 WeakPolarHBondContact O-CA 3.5Å; Y187-G379 PolarHBondContact O-N 3.43Å
188N93.2Very high94.1Very high0 Ų09.4 Ų9.40%05%0.049CC..BIsolated β-bridgetrans-115.784174.3173.2-0.5000108.4Y184 E190 V191 G192 H230 L378Y184-N188 HydrophobicContact CE1-CB 3.79Å; Y184-N188 HydrophobicContact CE2-CB 4.46Å; Y184-N188 PolarHBondContact O-N 3Å; Y184-N188 VanDerWaalsContact O-N 3.12Å; Y184-N188 PolarHBondContact OH-ND2 2.67Å; N188-E190 PolarHBondContact O-N 2.6Å; N188-V191 WeakPolarHBondContact ND2-CB 3.33Å; N188-V191 VanDerWaalsContact ND2-CG2 3.27Å; N188-V191 WeakPolarHBondContact ND2-CG2 3.33Å; N188-V191 PolarHBondContact O-N 2.78Å; N188-V191 PolarHBondContact OD1-N 3.25Å; N188-G192 PolarHBondContact O-N 2.88Å; N188-H230 PolarHBondContact ND2-ND1 3.49Å; N188-H230 PolarHBondContact OD1-CE1 3.29Å; N188-L378 HydrophobicContact CB-CD2 3.93Å
189S90Very high94Very high5 Ų510.2 Ų10.24%0.0355%0.052CC..THydrogen-bonded Turntrans-75.2-1.4-172.264.10000114.8R377 S383 V386S189-R377 PolarHBondContact N-O 2.93Å; S189-S383 PolarHBondContact OG-OG 2.66Å; S189-V386 PolarHBondContact O-N 3.15Å
190E90.1Very high94Very high30 Ų308.2 Ų8.214%0.145%0.045CC..THydrogen-bonded Turntrans-84.8-41.6170.8-73.6165.614500111.6N188 H230 K376 R377 V386 W387N188-E190 PolarHBondContact O-N 2.6Å; E190-H230 IonicContact OE2-CE1 3.34Å; E190-K376 PolarHBondContact OE2-N 3.46Å; E190-R377 HydrophobicContact CG-CB 3.95Å; E190-R377 HydrophobicContact CG-CG 3.99Å; E190-R377 PolarHBondContact OE2-N 3.22Å; E190-V386 HydrophobicContact CG-CG2 4.04Å; E190-W387 PolarHBondContact O-NE1 3.02Å
191V92Very high94Very high4 Ų48.3 Ų8.32%0.0245%0.045CC..THydrogen-bonded Turntrans-83.1-42.1172.3171.40000111.7N188 M197 V234N188-V191 WeakPolarHBondContact ND2-CB 3.33Å; N188-V191 VanDerWaalsContact ND2-CG2 3.27Å; N188-V191 WeakPolarHBondContact ND2-CG2 3.33Å; N188-V191 PolarHBondContact O-N 2.78Å; N188-V191 PolarHBondContact OD1-N 3.25Å; V191-M197 HydrophobicContact CG1-CE 4.35Å; V191-M197 HydrophobicContact CG1-SD 3.86Å; V191-V234 HydrophobicContact CG2-CG2 3.74Å
192G92.1Very high93.9Very high8 Ų88.3 Ų8.38%0.0825%0.045CC..  trans63.1-132.2-16900000111.6S185 N188S185-G192 WeakPolarHBondContact O-CA 3.17Å; N188-G192 PolarHBondContact O-N 2.88Å
193Y94.4Very high93.9Very high23 Ų238.6 Ų8.69%0.095%0.047CC..  trans-111.5123.5164.6-179.8-97.7000110Q151 I152 D155 L181 M197 S198Q151-Y193 HydrophobicContact CB-CD1 4.46Å; Q151-Y193 HydrophobicContact CG-CD1 4.22Å; Q151-Y193 HydrophobicContact CG-CE1 4.07Å; I152-Y193 HydrophobicContact CD1-CD2 4.2Å; I152-Y193 HydrophobicContact CD1-CG 4.04Å; I152-Y193 HydrophobicContact CG1-CD1 3.75Å; I152-Y193 HydrophobicContact CG1-CD2 3.78Å; I152-Y193 HydrophobicContact CG1-CE1 4.12Å; I152-Y193 HydrophobicContact CG1-CE2 4.16Å; I152-Y193 HydrophobicContact CG1-CG 3.58Å; D155-Y193 WeakPolarHBondContact CB-OH 3.32Å; D155-Y193 VanDerWaalsContact OD2-CE1 3.31Å; D155-Y193 WeakPolarHBondContact OD2-CE1 3.41Å; D155-Y193 PolarHBondContact OD2-OH 2.69Å; L181-Y193 HydrophobicContact CB-CD2 4.22Å; L181-Y193 HydrophobicContact CB-CE2 4.23Å; L181-Y193 HydrophobicContact CD1-CE2 3.87Å; L181-Y193 HydrophobicContact CD2-CD2 4.18Å; L181-Y193 HydrophobicContact CD2-CE2 3.78Å; L181-Y193 HydrophobicContact CG-CE2 4.16Å; Y193-M197 HydrophobicContact CD2-CB 4.33Å; Y193-M197 HydrophobicContact CD2-CE 4.4Å; Y193-M197 HydrophobicContact CE2-CB 3.77Å; Y193-S198 WeakPolarHBondContact OH-CB 3.33Å; Y193-S198 PolarHBondContact OH-N 3.31Å
194C92.6Very high93.9Very high22 Ų228.6 Ų8.615%0.1495%0.047CC..  trans-111.3143.2174.4-164.40000110.5G196 M197 Y233C194-G196 PolarHBondContact O-N 2.95Å; C194-M197 HydrophobicContact CB-CG 4.42Å; C194-M197 HydrophobicContact CB-SD 3.76Å; C194-M197 PolarHBondContact N-SD 2.74Å; C194-M197 WeakPolarHBondContact O-CB 3.24Å; C194-M197 VanDerWaalsContact O-CG 3.32Å; C194-M197 WeakPolarHBondContact O-CG 3.42Å; C194-M197 PolarHBondContact O-N 2.72Å; C194-Y233 HydrophobicContact CB-CD1 3.53Å; C194-Y233 HydrophobicContact CB-CE1 4.1Å; C194-Y233 HydrophobicContact CB-CG 4.42Å
195Q89.8Confident93.9Very high26 Ų268.6 Ų8.612%0.1215%0.047CC..THydrogen-bonded Turntrans-62.9134.3-177-156-177.6-7.900110.7D155 A470D155-Q195 WeakPolarHBondContact OD2-CG 3.28Å; Q195-A470 HydrophobicContact CB-CB 4.1Å; Q195-A470 VanDerWaalsContact CD-CA 3.47Å; Q195-A470 VanDerWaalsContact CD-CB 3.48Å; Q195-A470 HydrophobicContact CG-CB 3.76Å
196G86.8Confident93.8Very high2 Ų29.1 Ų9.12%0.0215%0.049CC..THydrogen-bonded Turntrans95.8-2.3-175.100000115C194 E199 Y233 Q279C194-G196 PolarHBondContact O-N 2.95Å; G196-E199 WeakPolarHBondContact CA-OE2 3.21Å; G196-Y233 PolarHBondContact O-OH 2.9Å; G196-Q279 PolarHBondContact O-NE2 3.09Å
197M95.2Very high93.9Very high1 Ų19.3 Ų9.31%0.0055%0.048CC..Hα-helixtrans-76.7-20.7170.5-73.7171.453.600112.8L181 Y184 V191 Y193 C194 E199 L200 A201 M222 Y233L181-M197 HydrophobicContact CD2-CB 4.43Å; Y184-M197 HydrophobicContact CD1-CE 3.57Å; Y184-M197 HydrophobicContact CE1-CE 3.88Å; V191-M197 HydrophobicContact CG1-CE 4.35Å; V191-M197 HydrophobicContact CG1-SD 3.86Å; Y193-M197 HydrophobicContact CD2-CB 4.33Å; Y193-M197 HydrophobicContact CD2-CE 4.4Å; Y193-M197 HydrophobicContact CE2-CB 3.77Å; C194-M197 HydrophobicContact CB-CG 4.42Å; C194-M197 HydrophobicContact CB-SD 3.76Å; C194-M197 PolarHBondContact N-SD 2.74Å; C194-M197 WeakPolarHBondContact O-CB 3.24Å; C194-M197 VanDerWaalsContact O-CG 3.32Å; C194-M197 WeakPolarHBondContact O-CG 3.42Å; C194-M197 PolarHBondContact O-N 2.72Å; M197-E199 VanDerWaalsContact C-N 3.3Å; M197-E199 PolarHBondContact O-N 3.06Å; M197-L200 PolarHBondContact O-N 3.02Å; M197-A201 PolarHBondContact O-N 2.92Å; M197-A201 VanDerWaalsContact O-N 3.08Å; M197-M222 HydrophobicContact CE-CE 4.12Å; M197-M222 HydrophobicContact CG-CE 4.01Å; M197-M222 HydrophobicContact SD-CE 4.29Å; M197-Y233 HydrophobicContact CG-CD1 4.05Å; M197-Y233 HydrophobicContact CG-CE1 3.61Å; M197-Y233 HydrophobicContact CG-CE2 4.17Å; M197-Y233 HydrophobicContact CG-CG 4.45Å; M197-Y233 HydrophobicContact SD-CD1 4.26Å; M197-Y233 HydrophobicContact SD-CE1 4.41Å; M197-Y233 HydrophobicContact SD-CG 4.44Å
198S96.5Very high93.9Very high2 Ų29 Ų91%0.0145%0.047CC..Hα-helixtrans-67-32.2-179.468.10000112.5T159 Y193 G202T159-S198 WeakPolarHBondContact CG2-O 3.41Å; T159-S198 VanDerWaalsContact OG1-CB 3.24Å; T159-S198 WeakPolarHBondContact OG1-CB 3.19Å; T159-S198 PolarHBondContact OG1-OG 3.39Å; Y193-S198 WeakPolarHBondContact OH-CB 3.33Å; Y193-S198 PolarHBondContact OH-N 3.31Å; S198-G202 WeakPolarHBondContact O-CA 3.4Å; S198-G202 PolarHBondContact O-N 2.91Å
199E95.4Very high93.7Very high17 Ų1714 Ų148%0.0797%0.07CC..Hα-helixtrans-69.7-36.8175.5-60.194.1130.300111.5F160 G196 M197 L203 Q279 L282F160-E199 HydrophobicContact CE2-CB 4.41Å; F160-E199 VanDerWaalsContact CE2-O 3.27Å; F160-E199 WeakPolarHBondContact CE2-O 3.41Å; F160-E199 HydrophobicContact CZ-CB 3.98Å; F160-E199 HydrophobicContact CZ-CG 4.48Å; G196-E199 WeakPolarHBondContact CA-OE2 3.21Å; M197-E199 VanDerWaalsContact C-N 3.3Å; M197-E199 PolarHBondContact O-N 3.06Å; E199-L203 WeakPolarHBondContact O-CB 3.18Å; E199-L203 PolarHBondContact O-N 2.99Å; E199-Q279 PolarHBondContact OE1-NE2 3.47Å; E199-Q279 PolarHBondContact OE2-NE2 2.85Å; E199-L282 HydrophobicContact CB-CD1 4.1Å
200L97Very high94Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-65.4-50.7173.8-61.5177.1000111.5M197 G202 L203 F204 L218 L221 M222 Y233 L282 W294M197-L200 PolarHBondContact O-N 3.02Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-L203 PolarHBondContact O-N 3.14Å; L200-F204 WeakPolarHBondContact O-CD2 3.49Å; L200-F204 PolarHBondContact O-N 3.27Å; L200-L218 HydrophobicContact CB-CD1 4.23Å; L200-L221 HydrophobicContact CB-CD2 4.3Å; L200-L221 HydrophobicContact CD1-CD2 4.1Å; L200-L221 HydrophobicContact CD2-CD2 4.2Å; L200-L221 HydrophobicContact CG-CD2 4.45Å; L200-M222 HydrophobicContact CD1-CE 3.98Å; L200-Y233 HydrophobicContact CD1-CE2 3.79Å; L200-Y233 VanDerWaalsContact CD1-OH 3.29Å; L200-Y233 WeakPolarHBondContact CD1-OH 3.4Å; L200-L282 HydrophobicContact CD2-CD1 3.98Å; L200-W294 HydrophobicContact CD2-CH2 3.81Å; L200-W294 HydrophobicContact CD2-CZ2 3.69Å
201A97.7Very high94.3Very high1 Ų118.1 Ų18.11%0.0089%0.092CC..Hα-helixtrans-67.9-34.4178.800000112.3L177 V180 L181 M197 F204 L205 L218L177-A201 HydrophobicContact CD1-CB 3.53Å; V180-A201 HydrophobicContact CG1-CB 4.29Å; L181-A201 HydrophobicContact CD2-CB 3.61Å; L181-A201 HydrophobicContact CG-CB 4.2Å; M197-A201 PolarHBondContact O-N 2.92Å; M197-A201 VanDerWaalsContact O-N 3.08Å; A201-F204 PolarHBondContact O-N 3.28Å; A201-L205 PolarHBondContact O-N 2.96Å; A201-L218 HydrophobicContact CB-CD1 4.45Å; A201-L218 HydrophobicContact CB-CD2 4.13Å
202G96.4Very high94.5Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-63.7-42.6175.800000111.9F166 S198 L200 F204 L205 I206F166-G202 WeakPolarHBondContact CZ-O 3.3Å; S198-G202 WeakPolarHBondContact O-CA 3.4Å; S198-G202 PolarHBondContact O-N 2.91Å; L200-G202 VanDerWaalsContact C-N 3.34Å; G202-F204 VanDerWaalsContact C-N 3.35Å; G202-F204 PolarHBondContact O-N 3.44Å; G202-L205 CarbonylContact O-C 3.59Å; G202-L205 PolarHBondContact O-N 3.37Å; G202-L205 VanDerWaalsContact O-N 3.14Å; G202-I206 WeakPolarHBondContact O-CG1 3.36Å; G202-I206 PolarHBondContact O-N 2.83Å
203L95.9Very high94.8Very high7 Ų721.2 Ų21.24%0.03711%0.105CC..Hα-helixtrans-63.9-40.6177-174.474.5000111.5W118 F160 E199 L200 L205 I206 Y207 L282 L291 W294W118-L203 HydrophobicContact CH2-CD1 4.42Å; W118-L203 HydrophobicContact CH2-CD2 3.96Å; W118-L203 HydrophobicContact CH2-CG 4.1Å; W118-L203 HydrophobicContact CZ3-CD2 4.04Å; W118-L203 HydrophobicContact CZ3-CG 3.96Å; F160-L203 HydrophobicContact CE2-CB 4.36Å; E199-L203 WeakPolarHBondContact O-CB 3.18Å; E199-L203 PolarHBondContact O-N 2.99Å; L200-L203 PolarHBondContact O-N 3.14Å; L203-L205 VanDerWaalsContact C-N 3.35Å; L203-I206 PolarHBondContact O-N 3.33Å; L203-Y207 HydrophobicContact CD1-CE2 4.45Å; L203-L282 HydrophobicContact CB-CD1 4.46Å; L203-L282 HydrophobicContact CD1-CD2 4.17Å; L203-L282 HydrophobicContact CD2-CD1 4.37Å; L203-L282 HydrophobicContact CD2-CD2 3.99Å; L203-L282 HydrophobicContact CG-CD2 4.47Å; L203-L291 HydrophobicContact CD1-CD2 4.22Å; L203-W294 HydrophobicContact CD2-CD2 3.33Å; L203-W294 HydrophobicContact CD2-CE3 3.64Å; L203-W294 HydrophobicContact CD2-CG 3.8Å; L203-W294 HydrophobicContact CD2-CH2 3.95Å; L203-W294 HydrophobicContact CD2-CZ2 3.69Å; L203-W294 HydrophobicContact CD2-CZ3 3.95Å
204F97.2Very high94.9Very high0 Ų020.1 Ų20.10%010%0.101CC..Hα-helixtrans-61.8-42.9171.7-69.8-46.5000111.7W118 L122 L200 A201 G202 I206 Y207 I208 A214 A217 L218 L221 W294W118-F204 HydrophobicContact CE3-CD1 4.42Å; L122-F204 HydrophobicContact CD1-CD1 4.32Å; L122-F204 HydrophobicContact CD1-CE1 3.51Å; L122-F204 HydrophobicContact CD1-CZ 3.9Å; L200-F204 WeakPolarHBondContact O-CD2 3.49Å; L200-F204 PolarHBondContact O-N 3.27Å; A201-F204 PolarHBondContact O-N 3.28Å; G202-F204 VanDerWaalsContact C-N 3.35Å; G202-F204 PolarHBondContact O-N 3.44Å; F204-I206 PolarHBondContact O-N 2.95Å; F204-Y207 PolarHBondContact O-N 3.29Å; F204-Y207 VanDerWaalsContact O-N 3.16Å; F204-I208 HydrophobicContact CB-CD1 4.2Å; F204-I208 HydrophobicContact CD1-CD1 4.15Å; F204-I208 HydrophobicContact CG-CD1 4.46Å; F204-I208 WeakPolarHBondContact O-CA 3.27Å; F204-I208 VanDerWaalsContact O-CB 3.27Å; F204-I208 WeakPolarHBondContact O-CB 3.4Å; F204-I208 WeakPolarHBondContact O-CG1 3.48Å; F204-I208 PolarHBondContact O-N 3.2Å; F204-A214 HydrophobicContact CB-CB 4.29Å; F204-A217 HydrophobicContact CB-CB 4.38Å; F204-A217 HydrophobicContact CD1-CB 3.89Å; F204-A217 HydrophobicContact CD2-CB 3.96Å; F204-A217 HydrophobicContact CE1-CB 4.13Å; F204-A217 HydrophobicContact CE2-CB 4.17Å; F204-A217 HydrophobicContact CG-CB 3.82Å; F204-A217 HydrophobicContact CZ-CB 4.24Å; F204-L218 HydrophobicContact CD2-CB 4.34Å; F204-L218 HydrophobicContact CE2-CB 4.47Å; F204-L221 HydrophobicContact CE2-CB 4.14Å; F204-L221 HydrophobicContact CE2-CD2 3.76Å; F204-L221 HydrophobicContact CZ-CB 4.14Å; F204-L221 HydrophobicContact CZ-CD2 3.96Å; F204-W294 AromaticContact CE1-CZ3 3.84Å; F204-W294 HydrophobicContact CE1-CZ3 3.84Å; F204-W294 HydrophobicContact CZ-CH2 4.31Å; F204-W294 AromaticContact CZ-CZ3 3.72Å; F204-W294 HydrophobicContact CZ-CZ3 3.72Å
205L96.5Very high95.2Very high0 Ų019.1 Ų19.10%09%0.094CC..Hα-helixtrans-71.3-7.5177.6-78168.9000115.2F166 R173 A176 L177 V180 A201 G202 L203 E211 A214F166-L205 HydrophobicContact CZ-CB 3.97Å; R173-L205 VanDerWaalsContact CD-O 3.23Å; R173-L205 WeakPolarHBondContact CD-O 3.24Å; R173-L205 PolarHBondContact NH1-O 3.38Å; A176-L205 HydrophobicContact CB-CD1 4.06Å; A176-L205 HydrophobicContact CB-CD2 3.96Å; L177-L205 HydrophobicContact CB-CD1 3.74Å; L177-L205 HydrophobicContact CD1-CD1 4.01Å; V180-L205 HydrophobicContact CG2-CD1 4.33Å; A201-L205 PolarHBondContact O-N 2.96Å; G202-L205 CarbonylContact O-C 3.59Å; G202-L205 PolarHBondContact O-N 3.37Å; G202-L205 VanDerWaalsContact O-N 3.14Å; L203-L205 VanDerWaalsContact C-N 3.35Å; L205-E211 HydrophobicContact CD2-CB 4.37Å; L205-A214 HydrophobicContact CD2-CB 3.58Å; L205-A214 HydrophobicContact CG-CB 3.78Å
206I93.7Very high95.5Very high18 Ų1817.9 Ų17.99%0.0929%0.088CC..Hα-helixtrans-74.6-44.3166.2-69.1173.7000110.4F160 Y165 F166 G202 L203 F204F160-I206 HydrophobicContact CD2-CD1 4.35Å; Y165-I206 HydrophobicContact CD2-CB 4.45Å; Y165-I206 HydrophobicContact CD2-CD1 4.47Å; Y165-I206 HydrophobicContact CD2-CG1 3.93Å; Y165-I206 HydrophobicContact CD2-CG2 4.05Å; Y165-I206 HydrophobicContact CE2-CG1 4.48Å; Y165-I206 HydrophobicContact CE2-CG2 3.73Å; Y165-I206 HydrophobicContact CG-CG1 4.38Å; F166-I206 HydrophobicContact CE2-CD1 4.36Å; F166-I206 HydrophobicContact CE2-CG1 3.84Å; G202-I206 WeakPolarHBondContact O-CG1 3.36Å; G202-I206 PolarHBondContact O-N 2.83Å; L203-I206 PolarHBondContact O-N 3.33Å; F204-I206 PolarHBondContact O-N 2.95Å
207Y93.9Very high96Very high18 Ų1817.8 Ų17.87%0.0719%0.087CC..Hα-helixtrans-101.1-25.8-171-70.3-69.7000114.7D111 R114 M115 W118 L203 F204 L291D111-Y207 VanDerWaalsContact OD1-CE1 3.29Å; D111-Y207 WeakPolarHBondContact OD1-CE1 3.35Å; D111-Y207 PolarHBondContact OD1-OH 3.05Å; R114-Y207 HydrophobicContact CB-CD1 3.46Å; R114-Y207 VanDerWaalsContact CB-CD1 3.46Å; R114-Y207 HydrophobicContact CB-CE1 3.81Å; R114-Y207 HydrophobicContact CB-CG 3.9Å; R114-Y207 HydrophobicContact CG-CD1 4.36Å; R114-Y207 HydrophobicContact CG-CE1 4.24Å; M115-Y207 WeakPolarHBondContact CA-O 3.42Å; M115-Y207 WeakPolarHBondContact CB-O 3.11Å; W118-Y207 HydrophobicContact CE3-CD2 4.1Å; W118-Y207 HydrophobicContact CE3-CG 4.41Å; W118-Y207 AromaticContact CH2-CD2 3.76Å; W118-Y207 HydrophobicContact CH2-CD2 3.76Å; W118-Y207 AromaticContact CH2-CE2 3.94Å; W118-Y207 HydrophobicContact CH2-CE2 3.94Å; W118-Y207 HydrophobicContact CZ2-CD2 4.47Å; W118-Y207 AromaticContact CZ3-CD2 3.55Å; W118-Y207 HydrophobicContact CZ3-CD2 3.55Å; W118-Y207 HydrophobicContact CZ3-CE2 4.2Å; W118-Y207 HydrophobicContact CZ3-CG 4.29Å; L203-Y207 HydrophobicContact CD1-CE2 4.45Å; F204-Y207 PolarHBondContact O-N 3.29Å; F204-Y207 VanDerWaalsContact O-N 3.16Å; Y207-L291 HydrophobicContact CE2-CD2 3.55Å; Y207-L291 VanDerWaalsContact OH-CD1 3.28Å; Y207-L291 WeakPolarHBondContact OH-CD1 3.41Å; Y207-L291 WeakPolarHBondContact OH-CD2 3.43Å
208I94.6Very high96.2Very high4 Ų417.7 Ų17.72%0.0219%0.087CC..  trans-99.1118.6-179.7-54-175.5000108P119 R173 F204 D213 A214 A217P119-I208 HydrophobicContact CG-CD1 4.1Å; P119-I208 HydrophobicContact CG-CG1 4.05Å; R173-I208 PolarHBondContact NH1-O 3.18Å; F204-I208 HydrophobicContact CB-CD1 4.2Å; F204-I208 HydrophobicContact CD1-CD1 4.15Å; F204-I208 HydrophobicContact CG-CD1 4.46Å; F204-I208 WeakPolarHBondContact O-CA 3.27Å; F204-I208 VanDerWaalsContact O-CB 3.27Å; F204-I208 WeakPolarHBondContact O-CB 3.4Å; F204-I208 WeakPolarHBondContact O-CG1 3.48Å; F204-I208 PolarHBondContact O-N 3.2Å; I208-D213 HydrophobicContact CG2-CB 3.42Å; I208-D213 VanDerWaalsContact CG2-CB 3.42Å; I208-A214 HydrophobicContact CB-CB 4.35Å; I208-A214 HydrophobicContact CG2-CB 4.36Å; I208-A217 HydrophobicContact CD1-CB 3.53Å
209E90.5Very high96.2Very high105 Ų10517.8 Ų17.849%0.4919%0.087SC..SBendtrans-71.7-42.9-173.9179.3143.3-116.700112.2R173 R844R173-E209 PolarHBondContact NH1-O 3.29Å; R173-E209 PolarHBondContact NH2-O 3.44Å; E209-R844 VanDerWaalsContact CD-NH1 3.28Å; E209-R844 IonicContact OE1-CZ 3.59Å; E209-R844 IonicContact OE1-NH1 2.77Å; E209-R844 PolarHBondContact OE1-NH1 3.44Å; E209-R844 IonicContact OE1-NH2 3.21Å; E209-R844 PolarHBondContact OE1-NH2 2.65Å; E209-R844 IonicContact OE2-NH1 2.8Å; E209-R844 PolarHBondContact OE2-NH1 3.42Å
210D94.9Very high96.1Very high70 Ų7018.5 Ų18.537%0.3749%0.09SC..SBendtrans-81137.2179.6179.7-101.9000112.3K128 E212 D213 A214K128-D210 IonicContact NZ-OD1 3.17Å; K128-D210 PolarHBondContact NZ-OD1 3.27Å; D210-E212 WeakPolarHBondContact OD1-CA 3.18Å; D210-E212 WeakPolarHBondContact OD1-CB 3.49Å; D210-E212 PolarHBondContact OD1-N 2.98Å; D210-E212 VanDerWaalsContact OD1-N 3.1Å; D210-D213 HydrophobicContact CB-CB 4.02Å; D210-D213 PolarHBondContact OD1-N 3.43Å; D210-A214 PolarHBondContact O-N 3.13Å
211E96.5Very high96.1Very high53 Ų5318.5 Ų18.525%0.2489%0.09CC..Hα-helixtrans-77.3-29.6-175.869.7-179128.500113.4Y135 A176 R179 V180 L205 A214 F215Y135-E211 HydrophobicContact CE1-CG 4.14Å; Y135-E211 PolarHBondContact OH-OE2 2.98Å; Y135-E211 VanDerWaalsContact OH-OE2 3.06Å; A176-E211 HydrophobicContact CB-CB 3.98Å; R179-E211 IonicContact CZ-OE1 2.81Å; R179-E211 IonicContact CZ-OE2 3.88Å; R179-E211 IonicContact NE-OE1 3.45Å; R179-E211 PolarHBondContact NE-OE1 3.45Å; R179-E211 IonicContact NE-OE2 2.61Å; R179-E211 PolarHBondContact NE-OE2 3.21Å; R179-E211 IonicContact NH2-OE1 3.61Å; R179-E211 PolarHBondContact NH2-OE1 2.94Å; R179-E211 IonicContact NH2-OE2 2.74Å; R179-E211 PolarHBondContact NH2-OE2 3Å; V180-E211 HydrophobicContact CG2-CB 4.24Å; V180-E211 VanDerWaalsContact CG2-O 3.27Å; V180-E211 WeakPolarHBondContact CG2-O 3.34Å; L205-E211 HydrophobicContact CD2-CB 4.37Å; E211-A214 PolarHBondContact O-N 2.91Å; E211-F215 PolarHBondContact O-N 3.3Å
212E97.4Very high95.9Very high35 Ų3518.5 Ų18.516%0.1649%0.09CC..Hα-helixtrans-72.3-39.3174175.2172.4-161.400110.8K128 Y135 D210 A214 F215 W216K128-E212 HydrophobicContact CD-CG 4.03Å; K128-E212 VanDerWaalsContact CE-OE2 3.25Å; K128-E212 WeakPolarHBondContact CE-OE2 3.47Å; K128-E212 HydrophobicContact CG-CG 4.41Å; K128-E212 IonicContact NZ-OE2 2.67Å; Y135-E212 WeakPolarHBondContact CB-OE1 3.48Å; Y135-E212 HydrophobicContact CD1-CB 3.72Å; Y135-E212 HydrophobicContact CD1-CG 4.04Å; Y135-E212 HydrophobicContact CE1-CB 4.21Å; Y135-E212 HydrophobicContact CG-CB 4.04Å; Y135-E212 HydrophobicContact CG-CG 3.93Å; D210-E212 WeakPolarHBondContact OD1-CA 3.18Å; D210-E212 WeakPolarHBondContact OD1-CB 3.49Å; D210-E212 PolarHBondContact OD1-N 2.98Å; D210-E212 VanDerWaalsContact OD1-N 3.1Å; E212-A214 PolarHBondContact O-N 3.37Å; E212-F215 WeakPolarHBondContact O-CB 3.26Å; E212-F215 PolarHBondContact O-N 2.98Å; E212-W216 VanDerWaalsContact CG-CD1 3.44Å; E212-W216 VanDerWaalsContact CG-NE1 3.34Å; E212-W216 PolarHBondContact O-N 3.49Å; E212-W216 PolarHBondContact OE1-NE1 3.49Å
213D97Very high95.7Very high41 Ų4120.1 Ų20.122%0.21910%0.1CC..Hα-helixtrans-59.2-37.2171.9-76.6-2.9000111.4V124 K128 I208 D210 W216 A217V124-D213 HydrophobicContact CG1-CB 3.74Å; V124-D213 WeakPolarHBondContact CG1-O 3.36Å; K128-D213 WeakPolarHBondContact CD-OD1 3.37Å; K128-D213 WeakPolarHBondContact CE-OD1 3.25Å; K128-D213 IonicContact NZ-OD1 3.72Å; K128-D213 PolarHBondContact NZ-OD1 3.48Å; I208-D213 HydrophobicContact CG2-CB 3.42Å; I208-D213 VanDerWaalsContact CG2-CB 3.42Å; D210-D213 HydrophobicContact CB-CB 4.02Å; D210-D213 PolarHBondContact OD1-N 3.43Å; D213-W216 PolarHBondContact O-N 3.32Å; D213-A217 WeakPolarHBondContact O-CB 3.49Å; D213-A217 PolarHBondContact O-N 2.92Å
214A97.8Very high95.4Very high1 Ų120.7 Ų20.71%0.00811%0.105CC..Hα-helixtrans-70.3-36.617500000113.1F204 L205 I208 D210 E211 E212 A217 L218F204-A214 HydrophobicContact CB-CB 4.29Å; L205-A214 HydrophobicContact CD2-CB 3.58Å; L205-A214 HydrophobicContact CG-CB 3.78Å; I208-A214 HydrophobicContact CB-CB 4.35Å; I208-A214 HydrophobicContact CG2-CB 4.36Å; D210-A214 PolarHBondContact O-N 3.13Å; E211-A214 PolarHBondContact O-N 2.91Å; E212-A214 PolarHBondContact O-N 3.37Å; A214-A217 PolarHBondContact O-N 3.39Å; A214-L218 PolarHBondContact O-N 3.05Å
215F98Very high95Very high0 Ų028.7 Ų28.70%014%0.136CC..Hα-helixtrans-61.6-43.7169.4165.4-90.9000111.8Y135 V180 A183 Y184 Y187 E211 E212 L218 N219Y135-F215 HydrophobicContact CD2-CB 3.78Å; Y135-F215 AromaticContact CD2-CD1 3.8Å; Y135-F215 HydrophobicContact CD2-CD1 3.8Å; Y135-F215 AromaticContact CD2-CD2 3.76Å; Y135-F215 HydrophobicContact CD2-CD2 3.76Å; Y135-F215 HydrophobicContact CD2-CE1 4.31Å; Y135-F215 HydrophobicContact CD2-CE2 4.26Å; Y135-F215 AromaticContact CD2-CG 3.5Å; Y135-F215 HydrophobicContact CD2-CG 3.5Å; Y135-F215 HydrophobicContact CE2-CB 3.94Å; Y135-F215 HydrophobicContact CE2-CD2 4.14Å; Y135-F215 HydrophobicContact CE2-CG 4.05Å; Y135-F215 HydrophobicContact CG-CD1 4.35Å; Y135-F215 HydrophobicContact CG-CG 4.44Å; V180-F215 HydrophobicContact CG1-CB 4.11Å; V180-F215 HydrophobicContact CG2-CB 4.24Å; A183-F215 HydrophobicContact CB-CD2 4.09Å; A183-F215 HydrophobicContact CB-CE2 3.93Å; Y184-F215 HydrophobicContact CD2-CD2 4.35Å; Y184-F215 HydrophobicContact CD2-CE2 4.02Å; Y187-F215 HydrophobicContact CD1-CZ 4.16Å; Y187-F215 HydrophobicContact CD2-CZ 4.13Å; Y187-F215 HydrophobicContact CG-CE2 4.43Å; Y187-F215 AromaticContact CG-CZ 3.79Å; Y187-F215 HydrophobicContact CG-CZ 3.79Å; E211-F215 PolarHBondContact O-N 3.3Å; E212-F215 WeakPolarHBondContact O-CB 3.26Å; E212-F215 PolarHBondContact O-N 2.98Å; F215-L218 PolarHBondContact O-N 2.85Å; F215-N219 PolarHBondContact O-N 3.19Å
216W97.4Very high94.7Very high0 Ų030.2 Ų30.20%014%0.142CC..Hα-helixtrans-70.4-32.5177.2-74120.2000113V124 I127 K128 N131 I134 Y187 E212 D213 N219 Q220V124-W216 HydrophobicContact CG1-CB 4.05Å; I127-W216 HydrophobicContact CB-CE3 4.4Å; I127-W216 HydrophobicContact CG1-CD2 4.45Å; I127-W216 HydrophobicContact CG1-CE3 3.64Å; I127-W216 HydrophobicContact CG1-CZ3 3.94Å; I127-W216 HydrophobicContact CG2-CB 3.77Å; I127-W216 HydrophobicContact CG2-CD2 4.13Å; I127-W216 HydrophobicContact CG2-CE3 3.97Å; I127-W216 HydrophobicContact CG2-CG 4.05Å; K128-W216 HydrophobicContact CB-CG 4.1Å; N131-W216 HydrophobicContact CB-CH2 3.2Å; N131-W216 HydrophobicContact CB-CZ2 3.35Å; N131-W216 HydrophobicContact CB-CZ3 4.04Å; I134-W216 HydrophobicContact CB-CH2 4.27Å; I134-W216 HydrophobicContact CB-CZ2 4.17Å; I134-W216 HydrophobicContact CG2-CH2 4.19Å; I134-W216 HydrophobicContact CG2-CZ2 4.49Å; Y187-W216 HydrophobicContact CE2-CH2 4.24Å; Y187-W216 HydrophobicContact CE2-CZ3 4.45Å; E212-W216 VanDerWaalsContact CG-CD1 3.44Å; E212-W216 VanDerWaalsContact CG-NE1 3.34Å; E212-W216 PolarHBondContact O-N 3.49Å; E212-W216 PolarHBondContact OE1-NE1 3.49Å; D213-W216 PolarHBondContact O-N 3.32Å; W216-N219 HydrophobicContact CE3-CB 4.08Å; W216-N219 HydrophobicContact CZ3-CB 4.47Å; W216-N219 PolarHBondContact O-N 3.03Å; W216-Q220 WeakPolarHBondContact O-CB 3.22Å; W216-Q220 VanDerWaalsContact O-CG 3.25Å; W216-Q220 WeakPolarHBondContact O-CG 3.33Å; W216-Q220 PolarHBondContact O-N 2.96Å
217A97.4Very high94.7Very high0 Ų029.5 Ų29.50%014%0.138CC..Hα-helixtrans-61.8-46.9169.600000112L122 V124 F204 I208 D213 A214 N219 Q220 L221L122-A217 HydrophobicContact CD1-CB 3.93Å; V124-A217 HydrophobicContact CG2-CB 3.99Å; F204-A217 HydrophobicContact CB-CB 4.38Å; F204-A217 HydrophobicContact CD1-CB 3.89Å; F204-A217 HydrophobicContact CD2-CB 3.96Å; F204-A217 HydrophobicContact CE1-CB 4.13Å; F204-A217 HydrophobicContact CE2-CB 4.17Å; F204-A217 HydrophobicContact CG-CB 3.82Å; F204-A217 HydrophobicContact CZ-CB 4.24Å; I208-A217 HydrophobicContact CD1-CB 3.53Å; D213-A217 WeakPolarHBondContact O-CB 3.49Å; D213-A217 PolarHBondContact O-N 2.92Å; A214-A217 PolarHBondContact O-N 3.39Å; A217-N219 VanDerWaalsContact C-N 3.34Å; A217-N219 PolarHBondContact O-N 3.49Å; A217-Q220 PolarHBondContact O-N 3.33Å; A217-L221 WeakPolarHBondContact O-CB 3.48Å; A217-L221 PolarHBondContact O-N 3.27Å
218L97.7Very high94.6Very high0 Ų029.7 Ų29.70%014%0.141CC..Hα-helixtrans-59.9-43.2173.1-178.467.5000111.5V180 L181 Y184 L200 A201 F204 A214 F215 Q220 L221 M222V180-L218 HydrophobicContact CG1-CD2 4.27Å; L181-L218 HydrophobicContact CD2-CD2 4.28Å; Y184-L218 HydrophobicContact CD1-CD2 4.29Å; Y184-L218 HydrophobicContact CD2-CD2 4.02Å; Y184-L218 HydrophobicContact CD2-CG 4.32Å; Y184-L218 HydrophobicContact CG-CD2 3.81Å; Y184-L218 HydrophobicContact CG-CG 4.49Å; L200-L218 HydrophobicContact CB-CD1 4.23Å; A201-L218 HydrophobicContact CB-CD1 4.45Å; A201-L218 HydrophobicContact CB-CD2 4.13Å; F204-L218 HydrophobicContact CD2-CB 4.34Å; F204-L218 HydrophobicContact CE2-CB 4.47Å; A214-L218 PolarHBondContact O-N 3.05Å; F215-L218 PolarHBondContact O-N 2.85Å; L218-Q220 PolarHBondContact O-N 3.02Å; L218-L221 PolarHBondContact O-N 3.45Å; L218-M222 HydrophobicContact CD1-CE 3.99Å; L218-M222 VanDerWaalsContact O-CG 3.28Å; L218-M222 WeakPolarHBondContact O-CG 3.2Å; L218-M222 PolarHBondContact O-N 3.26Å
219N96.3Very high94.6Very high3 Ų329.6 Ų29.62%0.01614%0.14CC..Hα-helixtrans-62.1-44.5176.9-175.941.4000112.6Y184 Y187 F215 W216 A217 L221 M222 T223Y184-N219 HydrophobicContact CE2-CB 4.05Å; Y187-N219 WeakPolarHBondContact CE1-OD1 3.38Å; F215-N219 PolarHBondContact O-N 3.19Å; W216-N219 HydrophobicContact CE3-CB 4.08Å; W216-N219 HydrophobicContact CZ3-CB 4.47Å; W216-N219 PolarHBondContact O-N 3.03Å; A217-N219 VanDerWaalsContact C-N 3.34Å; A217-N219 PolarHBondContact O-N 3.49Å; N219-L221 VanDerWaalsContact C-N 3.34Å; N219-L221 PolarHBondContact O-N 3.49Å; N219-M222 PolarHBondContact O-N 2.76Å; N219-M222 VanDerWaalsContact O-N 3.16Å; N219-T223 WeakPolarHBondContact O-CB 3.48Å; N219-T223 PolarHBondContact O-N 2.95Å; N219-T223 PolarHBondContact O-OG1 2.85Å; N219-T223 WeakPolarHBondContact OD1-CG2 3.29Å; N219-T223 PolarHBondContact OD1-OG1 2.93Å
220Q94.9Very high94.8Very high32 Ų3224.8 Ų24.815%0.1512%0.117CC..Hα-helixtrans-65.9-37.6179.5-72.4-79.785.700111.6L122 I127 W216 A217 L218 M222 S224 Y227L122-Q220 HydrophobicContact CB-CB 4.46Å; L122-Q220 HydrophobicContact CD2-CB 3.91Å; L122-Q220 VanDerWaalsContact O-CG 3.3Å; L122-Q220 WeakPolarHBondContact O-CG 3.49Å; L122-Q220 PolarHBondContact O-NE2 2.97Å; I127-Q220 HydrophobicContact CB-CG 4.34Å; I127-Q220 HydrophobicContact CG2-CG 3.75Å; W216-Q220 WeakPolarHBondContact O-CB 3.22Å; W216-Q220 VanDerWaalsContact O-CG 3.25Å; W216-Q220 WeakPolarHBondContact O-CG 3.33Å; W216-Q220 PolarHBondContact O-N 2.96Å; A217-Q220 PolarHBondContact O-N 3.33Å; L218-Q220 PolarHBondContact O-N 3.02Å; Q220-M222 VanDerWaalsContact C-N 3.31Å; Q220-M222 PolarHBondContact O-N 3.31Å; Q220-S224 WeakPolarHBondContact O-CB 3.49Å; Q220-S224 PolarHBondContact O-N 3.16Å; Q220-S224 VanDerWaalsContact O-N 3.09Å; Q220-Y227 WeakPolarHBondContact O-CD2 3.35Å
221L95.7Very high94.7Very high0 Ų021.5 Ų21.50%010%0.1CC..Hα-helixtrans-59.4-40.2170.8175.262.9000112.3L200 F204 A217 L218 N219 Y227 M229 W294 Y297L200-L221 HydrophobicContact CB-CD2 4.3Å; L200-L221 HydrophobicContact CD1-CD2 4.1Å; L200-L221 HydrophobicContact CD2-CD2 4.2Å; L200-L221 HydrophobicContact CG-CD2 4.45Å; F204-L221 HydrophobicContact CE2-CB 4.14Å; F204-L221 HydrophobicContact CE2-CD2 3.76Å; F204-L221 HydrophobicContact CZ-CB 4.14Å; F204-L221 HydrophobicContact CZ-CD2 3.96Å; A217-L221 WeakPolarHBondContact O-CB 3.48Å; A217-L221 PolarHBondContact O-N 3.27Å; L218-L221 PolarHBondContact O-N 3.45Å; N219-L221 VanDerWaalsContact C-N 3.34Å; N219-L221 PolarHBondContact O-N 3.49Å; L221-Y227 HydrophobicContact CD1-CD1 4.29Å; L221-Y227 HydrophobicContact CD1-CD2 4.46Å; L221-Y227 HydrophobicContact CD1-CG 4.04Å; L221-Y227 WeakPolarHBondContact O-CB 3.31Å; L221-M229 HydrophobicContact CD1-CG 3.9Å; L221-M229 HydrophobicContact CG-CG 4.16Å; L221-M229 WeakPolarHBondContact O-CB 3.48Å; L221-W294 HydrophobicContact CD2-CH2 3.96Å; L221-W294 HydrophobicContact CD2-CZ3 4.46Å; L221-Y297 HydrophobicContact CD1-CE1 3.52Å; L221-Y297 WeakPolarHBondContact CD1-OH 3.45Å
222M94.9Very high94.7Very high1 Ų119 Ų191%0.0059%0.089CC..Hα-helixtrans-76.2-47.6-179.2-67.9-69177.200113Y184 M197 L200 L218 N219 Q220 M229 H230 Y233Y184-M222 HydrophobicContact CE1-CG 4.26Å; Y184-M222 WeakPolarHBondContact OH-CB 3.04Å; Y184-M222 WeakPolarHBondContact OH-CG 3.48Å; M197-M222 HydrophobicContact CE-CE 4.12Å; M197-M222 HydrophobicContact CG-CE 4.01Å; M197-M222 HydrophobicContact SD-CE 4.29Å; L200-M222 HydrophobicContact CD1-CE 3.98Å; L218-M222 HydrophobicContact CD1-CE 3.99Å; L218-M222 VanDerWaalsContact O-CG 3.28Å; L218-M222 WeakPolarHBondContact O-CG 3.2Å; L218-M222 PolarHBondContact O-N 3.26Å; N219-M222 PolarHBondContact O-N 2.76Å; N219-M222 VanDerWaalsContact O-N 3.16Å; Q220-M222 VanDerWaalsContact C-N 3.31Å; Q220-M222 PolarHBondContact O-N 3.31Å; M222-M229 PolarHBondContact O-N 3.1Å; M222-M229 HydrophobicContact SD-CB 3.8Å; M222-H230 HydrophobicContact CB-CB 4.47Å; M222-H230 WeakPolarHBondContact O-CB 3.24Å; M222-H230 PolarHBondContact O-N 3.38Å; M222-Y233 HydrophobicContact CE-CD2 3.64Å; M222-Y233 HydrophobicContact CE-CE2 3.63Å; M222-Y233 HydrophobicContact SD-CD2 3.74Å; M222-Y233 HydrophobicContact SD-CE2 4.23Å
223T91.8Very high94.5Very high34 Ų3417.5 Ų17.521%0.2098%0.081CC..Hα-helixtrans-100.2-16.7-163.960.40000114.7N219 P375 L378N219-T223 WeakPolarHBondContact O-CB 3.48Å; N219-T223 PolarHBondContact O-N 2.95Å; N219-T223 PolarHBondContact O-OG1 2.85Å; N219-T223 WeakPolarHBondContact OD1-CG2 3.29Å; N219-T223 PolarHBondContact OD1-OG1 2.93Å; T223-P375 HydrophobicContact CG2-CB 4.28Å; T223-P375 HydrophobicContact CG2-CG 3.93Å; T223-L378 HydrophobicContact CG2-CD1 3.77Å; T223-L378 HydrophobicContact CG2-CD2 4Å
224S90.3Very high94.3Very high20 Ų2016.8 Ų16.814%0.148%0.078CC..SBendtrans-75.8134179.3-168.30000112Q220 R226 Y227 N228Q220-S224 WeakPolarHBondContact O-CB 3.49Å; Q220-S224 PolarHBondContact O-N 3.16Å; Q220-S224 VanDerWaalsContact O-N 3.09Å; S224-R226 PolarHBondContact O-N 3Å; S224-Y227 PolarHBondContact O-N 3.02Å; S224-N228 PolarHBondContact O-N 3.17Å
225Y88.5Confident93.8Very high168 Ų16818.4 Ų18.466%0.6599%0.092SC*.THydrogen-bonded Turntrans-54.2-18.8176.777.2-89.7000114.6N228Y225-N228 WeakPolarHBondContact CA-OD1 3.3Å; Y225-N228 PolarHBondContact O-ND2 3.05Å; Y225-N228 PolarHBondContact O-OD1 2.76Å
226R90Very high93.4Very high32 Ų3223.3 Ų23.312%0.12112%0.118CC..THydrogen-bonded Turntrans-68.3-35.6174.5175.7180-71.687.54.9111.9Y92 G95 S224 L299 G301 E302Y92-R226 VanDerWaalsContact OH-CZ 3.25Å; Y92-R226 PolarHBondContact OH-NH2 3.43Å; G95-R226 VanDerWaalsContact CA-NH2 3.27Å; G95-R226 PolarHBondContact O-NH2 3.29Å; S224-R226 PolarHBondContact O-N 3Å; R226-L299 PolarHBondContact NE-O 3.06Å; R226-G301 VanDerWaalsContact CG-CA 3.45Å; R226-G301 CarbonylContact O-C 3.42Å; R226-G301 WeakPolarHBondContact O-CA 3.24Å; R226-E302 PolarHBondContact O-N 3.03Å
227Y93.5Very high93.2Very high3 Ų324.5 Ų24.51%0.01212%0.123CC..THydrogen-bonded Turntrans-113.4-33.5-168.7-50.6-65000113L122 Q220 L221 S224 M229 Y297 L298L122-Y227 HydrophobicContact CD2-CE2 3.72Å; Q220-Y227 WeakPolarHBondContact O-CD2 3.35Å; L221-Y227 HydrophobicContact CD1-CD1 4.29Å; L221-Y227 HydrophobicContact CD1-CD2 4.46Å; L221-Y227 HydrophobicContact CD1-CG 4.04Å; L221-Y227 WeakPolarHBondContact O-CB 3.31Å; S224-Y227 PolarHBondContact O-N 3.02Å; Y227-M229 PolarHBondContact O-N 2.96Å; Y227-Y297 HydrophobicContact CD1-CE1 4.28Å; Y227-Y297 AromaticContact CD1-CE2 3.99Å; Y227-Y297 HydrophobicContact CD1-CE2 3.99Å; Y227-Y297 AromaticContact CD1-CZ 3.85Å; Y227-Y297 WeakPolarHBondContact CE1-O 3.43Å; Y227-L298 HydrophobicContact CE1-CD2 4.3Å; Y227-L298 WeakPolarHBondContact OH-CA 3.49Å; Y227-L298 PolarHBondContact OH-O 2.92Å; Y227-L298 VanDerWaalsContact OH-O 3.08Å
228N90.8Very high93Very high22 Ų2225.7 Ų25.712%0.11813%0.131CC..  trans57.315.4175.2-66.7-35.7000116.4S224 Y225 H230 S231 E302 L369S224-N228 PolarHBondContact O-N 3.17Å; Y225-N228 WeakPolarHBondContact CA-OD1 3.3Å; Y225-N228 PolarHBondContact O-ND2 3.05Å; Y225-N228 PolarHBondContact O-OD1 2.76Å; N228-H230 PolarHBondContact O-N 3.21Å; N228-H230 VanDerWaalsContact O-N 3.14Å; N228-S231 PolarHBondContact O-N 3.2Å; N228-S231 VanDerWaalsContact O-N 3.07Å; N228-S231 PolarHBondContact O-OG 2.91Å; N228-E302 WeakPolarHBondContact CB-OE2 3.5Å; N228-E302 PolarHBondContact ND2-OE1 2.92Å; N228-E302 PolarHBondContact ND2-OE2 3.22Å; N228-L369 HydrophobicContact CB-CD1 3.9Å
229M94.8Very high92.8Very high1 Ų125.7 Ų25.71%0.00513%0.131CC..Hα-helixtrans-65-22.3-169.8-65.3-64.7-64.500113.9L221 M222 Y227 S231 V232 Y233 Y277 M278 Y297 L305L221-M229 HydrophobicContact CD1-CG 3.9Å; L221-M229 HydrophobicContact CG-CG 4.16Å; L221-M229 WeakPolarHBondContact O-CB 3.48Å; M222-M229 PolarHBondContact O-N 3.1Å; M222-M229 HydrophobicContact SD-CB 3.8Å; Y227-M229 PolarHBondContact O-N 2.96Å; M229-S231 VanDerWaalsContact C-N 3.28Å; M229-S231 PolarHBondContact O-N 2.83Å; M229-V232 HydrophobicContact CE-CB 4.43Å; M229-V232 HydrophobicContact CE-CG1 4.26Å; M229-V232 WeakPolarHBondContact O-CB 3.48Å; M229-V232 PolarHBondContact O-N 2.87Å; M229-V232 HydrophobicContact SD-CG2 4.25Å; M229-Y233 HydrophobicContact CE-CD2 4.47Å; M229-Y233 HydrophobicContact CE-CE2 3.87Å; M229-Y233 WeakPolarHBondContact O-CD2 3.47Å; M229-Y233 PolarHBondContact O-N 3.49Å; M229-Y277 WeakPolarHBondContact CE-O 3.42Å; M229-M278 VanDerWaalsContact CE-O 3.24Å; M229-M278 WeakPolarHBondContact CE-O 3.12Å; M229-Y297 WeakPolarHBondContact CG-OH 3.4Å; M229-L305 HydrophobicContact SD-CD1 4.3Å
230H94.7Very high92.8Very high4 Ų425.6 Ų25.62%0.01913%0.131CC..Hα-helixtrans-51.5-48.3170173.1102.8000111.4N188 E190 M222 N228 V232 Y233 V234 P375N188-H230 PolarHBondContact ND2-ND1 3.49Å; N188-H230 PolarHBondContact OD1-CE1 3.29Å; E190-H230 IonicContact OE2-CE1 3.34Å; M222-H230 HydrophobicContact CB-CB 4.47Å; M222-H230 WeakPolarHBondContact O-CB 3.24Å; M222-H230 PolarHBondContact O-N 3.38Å; N228-H230 PolarHBondContact O-N 3.21Å; N228-H230 VanDerWaalsContact O-N 3.14Å; H230-V232 PolarHBondContact O-N 2.71Å; H230-Y233 PolarHBondContact O-N 3.13Å; H230-V234 WeakPolarHBondContact NE2-CG2 3.5Å; H230-V234 WeakPolarHBondContact O-CG2 3.5Å; H230-V234 PolarHBondContact O-N 2.96Å; H230-P375 HydrophobicContact CB-CG 3.97Å; H230-P375 VanDerWaalsContact CE1-CA 3.48Å; H230-P375 WeakPolarHBondContact CE1-CA 3.47Å; H230-P375 WeakPolarHBondContact NE2-CA 3.23Å
231S93.8Very high92.8Very high1 Ų127.3 Ų27.31%0.00714%0.138CC..Hα-helixtrans-63-24.1179.470.60000113.8N228 M229 P238 G239N228-S231 PolarHBondContact O-N 3.2Å; N228-S231 VanDerWaalsContact O-N 3.07Å; N228-S231 PolarHBondContact O-OG 2.91Å; M229-S231 VanDerWaalsContact C-N 3.28Å; M229-S231 PolarHBondContact O-N 2.83Å; S231-P238 WeakPolarHBondContact O-CD 3.27Å; S231-G239 VanDerWaalsContact O-CA 3.29Å; S231-G239 WeakPolarHBondContact O-CA 3.3Å; S231-G239 PolarHBondContact O-N 3.08Å; S231-G239 WeakPolarHBondContact OG-CA 3.28Å
232V95Very high92.8Very high2 Ų228.8 Ų28.81%0.01214%0.143CC..Hα-helixtrans-76.1-27.1177.4175.80000111.2M229 H230 F237 L240 L243 M278M229-V232 HydrophobicContact CE-CB 4.43Å; M229-V232 HydrophobicContact CE-CG1 4.26Å; M229-V232 WeakPolarHBondContact O-CB 3.48Å; M229-V232 PolarHBondContact O-N 2.87Å; M229-V232 HydrophobicContact SD-CG2 4.25Å; H230-V232 PolarHBondContact O-N 2.71Å; V232-F237 WeakPolarHBondContact O-CD1 3.47Å; V232-L240 HydrophobicContact CG1-CB 4.28Å; V232-L240 HydrophobicContact CG1-CD1 4.28Å; V232-L243 HydrophobicContact CG2-CD1 3.76Å; V232-M278 HydrophobicContact CG1-SD 3.53Å; V232-M278 VanDerWaalsContact CG1-SD 3.53Å
233Y94.2Very high92.9Very high2 Ų228.9 Ų28.91%0.00814%0.144CC..Hα-helixtrans-109.8-9.6-174.1-77-72.2000115.7C194 G196 M197 L200 M222 M229 H230 M278C194-Y233 HydrophobicContact CB-CD1 3.53Å; C194-Y233 HydrophobicContact CB-CE1 4.1Å; C194-Y233 HydrophobicContact CB-CG 4.42Å; G196-Y233 PolarHBondContact O-OH 2.9Å; M197-Y233 HydrophobicContact CG-CD1 4.05Å; M197-Y233 HydrophobicContact CG-CE1 3.61Å; M197-Y233 HydrophobicContact CG-CE2 4.17Å; M197-Y233 HydrophobicContact CG-CG 4.45Å; M197-Y233 HydrophobicContact SD-CD1 4.26Å; M197-Y233 HydrophobicContact SD-CE1 4.41Å; M197-Y233 HydrophobicContact SD-CG 4.44Å; L200-Y233 HydrophobicContact CD1-CE2 3.79Å; L200-Y233 VanDerWaalsContact CD1-OH 3.29Å; L200-Y233 WeakPolarHBondContact CD1-OH 3.4Å; M222-Y233 HydrophobicContact CE-CD2 3.64Å; M222-Y233 HydrophobicContact CE-CE2 3.63Å; M222-Y233 HydrophobicContact SD-CD2 3.74Å; M222-Y233 HydrophobicContact SD-CE2 4.23Å; M229-Y233 HydrophobicContact CE-CD2 4.47Å; M229-Y233 HydrophobicContact CE-CE2 3.87Å; M229-Y233 WeakPolarHBondContact O-CD2 3.47Å; M229-Y233 PolarHBondContact O-N 3.49Å; H230-Y233 PolarHBondContact O-N 3.13Å; Y233-M278 HydrophobicContact CD1-CE 3.64Å; Y233-M278 HydrophobicContact CD1-SD 4.5Å; Y233-M278 HydrophobicContact CE1-CE 3.42Å; Y233-M278 VanDerWaalsContact CE1-CE 3.42Å; Y233-M278 HydrophobicContact CE1-SD 4.36Å; Y233-M278 PolarHBondContact OH-O 3.22Å
234V91.9Very high93.1Very high26 Ų2627.9 Ų27.916%0.15814%0.136CC..SBendtrans-64.5158.3170.91640000111.7V191 H230 F237V191-V234 HydrophobicContact CG2-CG2 3.74Å; H230-V234 WeakPolarHBondContact NE2-CG2 3.5Å; H230-V234 WeakPolarHBondContact O-CG2 3.5Å; H230-V234 PolarHBondContact O-N 2.96Å; V234-F237 WeakPolarHBondContact O-CA 3.31Å; V234-F237 PolarHBondContact O-N 3.17Å
235A88.7Confident93.4Very high36 Ų3631 Ų3130%0.29816%0.155SC..THydrogen-bonded Turntrans-40.3139.1172.400000113.9F237 P238 W387A235-F237 PolarHBondContact O-N 3.34Å; A235-F237 VanDerWaalsContact O-N 3.1Å; A235-P238 WeakPolarHBondContact O-CD 3.4Å; A235-W387 VanDerWaalsContact CA-CH2 3.47Å; A235-W387 HydrophobicContact CB-CH2 3.44Å; A235-W387 VanDerWaalsContact CB-CH2 3.44Å; A235-W387 HydrophobicContact CB-CZ2 3.7Å; A235-W387 HydrophobicContact CB-CZ3 4Å
236D89.3Confident93.9Very high102 Ų10223.3 Ų23.355%0.54513%0.125SC..THydrogen-bonded Turntrans60.15.5-173.1-67.1-56.5000116.6K241D236-K241 WeakPolarHBondContact O-CD 3.43Å; D236-K241 WeakPolarHBondContact O-CE 3.38Å; D236-K241 PolarHBondContact O-NZ 3.33Å
237F92.7Very high94.2Very high25 Ų2521.9 Ų21.911%0.1112%0.119CC..  trans51.849.4174.9-49.5-92.5000113.9V232 V234 A235 G239 L240 K241 M278 T474 M478V232-F237 WeakPolarHBondContact O-CD1 3.47Å; V234-F237 WeakPolarHBondContact O-CA 3.31Å; V234-F237 PolarHBondContact O-N 3.17Å; A235-F237 PolarHBondContact O-N 3.34Å; A235-F237 VanDerWaalsContact O-N 3.1Å; F237-G239 PolarHBondContact O-N 2.94Å; F237-L240 HydrophobicContact CB-CB 3.9Å; F237-L240 HydrophobicContact CB-CD2 4.1Å; F237-L240 WeakPolarHBondContact O-CB 3.37Å; F237-L240 PolarHBondContact O-N 2.96Å; F237-L240 VanDerWaalsContact O-N 3.15Å; F237-K241 PolarHBondContact O-N 2.84Å; F237-M278 HydrophobicContact CD1-CE 4.18Å; F237-M278 HydrophobicContact CD1-SD 4.33Å; F237-M278 HydrophobicContact CE1-CE 3.95Å; F237-T474 HydrophobicContact CD1-CG2 4.37Å; F237-T474 HydrophobicContact CE1-CG2 3.98Å; F237-T474 HydrophobicContact CE2-CG2 4.16Å; F237-T474 HydrophobicContact CZ-CG2 3.87Å; F237-M478 HydrophobicContact CD2-CG 4.27Å
238P94Very high94.4Very high26 Ų2623.5 Ų23.517%0.16913%0.127CC..Hα-helixtrans-64.2-39.8-17125.8-35.6000113S231 A235 L240 K241 R242 M373S231-P238 WeakPolarHBondContact O-CD 3.27Å; A235-P238 WeakPolarHBondContact O-CD 3.4Å; P238-L240 VanDerWaalsContact C-N 3.33Å; P238-L240 PolarHBondContact O-N 3.37Å; P238-K241 PolarHBondContact O-N 3.28Å; P238-R242 WeakPolarHBondContact O-CB 3.36Å; P238-R242 PolarHBondContact O-N 3.11Å; P238-M373 HydrophobicContact CB-CE 3.96Å; P238-M373 HydrophobicContact CB-CG 4.15Å; P238-M373 HydrophobicContact CB-SD 3.94Å; P238-M373 HydrophobicContact CG-CG 4.19Å
239G93.8Very high94.7Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-64.7-34.8174.700000112.9S231 F237 R242 L243S231-G239 VanDerWaalsContact O-CA 3.29Å; S231-G239 WeakPolarHBondContact O-CA 3.3Å; S231-G239 PolarHBondContact O-N 3.08Å; S231-G239 WeakPolarHBondContact OG-CA 3.28Å; F237-G239 PolarHBondContact O-N 2.94Å; G239-R242 WeakPolarHBondContact O-CB 3.01Å; G239-L243 WeakPolarHBondContact O-CB 3.44Å; G239-L243 VanDerWaalsContact O-CG 3.27Å; G239-L243 WeakPolarHBondContact O-CG 3.34Å; G239-L243 PolarHBondContact O-N 3.03Å
240L95Very high94.9Very high0 Ų028.9 Ų28.90%015%0.146CC..Hα-helixtrans-68.3-45.9173.7-173.669.6000111.1V232 F237 P238 R242 L243 F244 L274 M278 M478V232-L240 HydrophobicContact CG1-CB 4.28Å; V232-L240 HydrophobicContact CG1-CD1 4.28Å; F237-L240 HydrophobicContact CB-CB 3.9Å; F237-L240 HydrophobicContact CB-CD2 4.1Å; F237-L240 WeakPolarHBondContact O-CB 3.37Å; F237-L240 PolarHBondContact O-N 2.96Å; F237-L240 VanDerWaalsContact O-N 3.15Å; P238-L240 VanDerWaalsContact C-N 3.33Å; P238-L240 PolarHBondContact O-N 3.37Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.15Å; L240-L243 PolarHBondContact O-N 3.06Å; L240-L243 VanDerWaalsContact O-N 3.14Å; L240-F244 HydrophobicContact CD1-CD1 4.38Å; L240-F244 HydrophobicContact CD1-CE1 3.75Å; L240-F244 HydrophobicContact CD1-CE2 4.29Å; L240-F244 HydrophobicContact CD1-CZ 3.7Å; L240-F244 HydrophobicContact CD2-CE2 3.93Å; L240-F244 HydrophobicContact CD2-CZ 3.9Å; L240-F244 HydrophobicContact CG-CD2 4.28Å; L240-F244 HydrophobicContact CG-CE1 4.13Å; L240-F244 HydrophobicContact CG-CE2 3.77Å; L240-F244 HydrophobicContact CG-CZ 3.69Å; L240-F244 WeakPolarHBondContact O-CG 3.41Å; L240-F244 PolarHBondContact O-N 3.48Å; L240-L274 HydrophobicContact CD1-CD1 4.48Å; L240-L274 HydrophobicContact CD2-CD1 3.59Å; L240-M278 HydrophobicContact CD1-CG 4.16Å; L240-M278 HydrophobicContact CD1-SD 4.21Å; L240-M278 HydrophobicContact CD2-CG 4.4Å; L240-M278 HydrophobicContact CD2-SD 3.99Å; L240-M478 HydrophobicContact CD2-CE 4.24Å; L240-M478 HydrophobicContact CD2-SD 4.01Å
241K95.1Very high95Very high69 Ų6928.9 Ų28.930%0.315%0.146SC..Hα-helixtrans-59.2-41.1175.1-71.9168.8174165.10111.4D236 F237 P238 T245 M478 S481D236-K241 WeakPolarHBondContact O-CD 3.43Å; D236-K241 WeakPolarHBondContact O-CE 3.38Å; D236-K241 PolarHBondContact O-NZ 3.33Å; F237-K241 PolarHBondContact O-N 2.84Å; P238-K241 PolarHBondContact O-N 3.28Å; K241-T245 WeakPolarHBondContact O-CB 3.34Å; K241-T245 PolarHBondContact O-N 3.48Å; K241-T245 PolarHBondContact O-OG1 2.81Å; K241-M478 HydrophobicContact CG-CE 3.86Å; K241-S481 PolarHBondContact NZ-OG 3.36Å
242R96Very high95.2Very high30 Ų3035.5 Ų35.511%0.11317%0.171CC..Hα-helixtrans-57.3-49.9169.9162.5-172.7177.9-1030.4112.1P238 G239 L240 T245 H246 E302 P366 P367P238-R242 WeakPolarHBondContact O-CB 3.36Å; P238-R242 PolarHBondContact O-N 3.11Å; G239-R242 WeakPolarHBondContact O-CB 3.01Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.15Å; R242-T245 PolarHBondContact O-N 2.61Å; R242-H246 WeakPolarHBondContact O-CB 3.33Å; R242-H246 PolarHBondContact O-N 3.12Å; R242-H246 VanDerWaalsContact O-N 3.08Å; R242-E302 IonicContact CZ-OE1 3.51Å; R242-E302 IonicContact CZ-OE2 2.56Å; R242-E302 IonicContact NH1-OE1 2.65Å; R242-E302 IonicContact NH1-OE2 2.78Å; R242-E302 PolarHBondContact NH1-OE2 3.17Å; R242-E302 IonicContact NH2-OE1 3.2Å; R242-E302 PolarHBondContact NH2-OE1 3.44Å; R242-E302 IonicContact NH2-OE2 3.7Å; R242-E302 PolarHBondContact NH2-OE2 2.8Å; R242-P366 HydrophobicContact CG-CB 4.31Å; R242-P367 VanDerWaalsContact CZ-O 3.24Å; R242-P367 PolarHBondContact NE-O 3.32Å; R242-P367 PolarHBondContact NH2-O 2.83Å
243L96.6Very high95.3Very high3 Ų340.8 Ų40.82%0.01619%0.194CC..Hα-helixtrans-65.6-43.5-179.5-73.7166.6000112.3V232 G239 L240 H246 H247 Y277 L306 P366V232-L243 HydrophobicContact CG2-CD1 3.76Å; G239-L243 WeakPolarHBondContact O-CB 3.44Å; G239-L243 VanDerWaalsContact O-CG 3.27Å; G239-L243 WeakPolarHBondContact O-CG 3.34Å; G239-L243 PolarHBondContact O-N 3.03Å; L240-L243 PolarHBondContact O-N 3.06Å; L240-L243 VanDerWaalsContact O-N 3.14Å; L243-H246 PolarHBondContact O-N 2.76Å; L243-H247 WeakPolarHBondContact O-CB 3.47Å; L243-H247 PolarHBondContact O-N 2.74Å; L243-Y277 HydrophobicContact CB-CD1 4.08Å; L243-Y277 HydrophobicContact CB-CE1 4.33Å; L243-Y277 HydrophobicContact CB-CG 4.26Å; L243-Y277 HydrophobicContact CD1-CD1 3.91Å; L243-Y277 HydrophobicContact CD1-CG 4.34Å; L243-Y277 HydrophobicContact CD2-CD1 4.34Å; L243-Y277 HydrophobicContact CD2-CE1 4.33Å; L243-Y277 HydrophobicContact CG-CD1 4.34Å; L243-L306 HydrophobicContact CD2-CD2 4.08Å; L243-L306 HydrophobicContact CD2-CG 4.44Å; L243-P366 HydrophobicContact CD2-CG 3.99Å
244F97.1Very high95.5Very high13 Ų1342.3 Ų42.36%0.05720%0.202CC..Hα-helixtrans-60.6-48.4174-68.4-18.5000112L240 H246 H247 E248 T269 A273 L274 Y277 M478L240-F244 HydrophobicContact CD1-CD1 4.38Å; L240-F244 HydrophobicContact CD1-CE1 3.75Å; L240-F244 HydrophobicContact CD1-CE2 4.29Å; L240-F244 HydrophobicContact CD1-CZ 3.7Å; L240-F244 HydrophobicContact CD2-CE2 3.93Å; L240-F244 HydrophobicContact CD2-CZ 3.9Å; L240-F244 HydrophobicContact CG-CD2 4.28Å; L240-F244 HydrophobicContact CG-CE1 4.13Å; L240-F244 HydrophobicContact CG-CE2 3.77Å; L240-F244 HydrophobicContact CG-CZ 3.69Å; L240-F244 WeakPolarHBondContact O-CG 3.41Å; L240-F244 PolarHBondContact O-N 3.48Å; F244-H246 VanDerWaalsContact C-N 3.26Å; F244-H246 PolarHBondContact O-N 3.03Å; F244-H247 WeakPolarHBondContact O-CB 3.16Å; F244-H247 PolarHBondContact O-N 3.04Å; F244-H247 VanDerWaalsContact O-N 3.12Å; F244-E248 WeakPolarHBondContact O-CG 3.07Å; F244-E248 PolarHBondContact O-N 2.85Å; F244-T269 HydrophobicContact CB-CG2 4.06Å; F244-T269 HydrophobicContact CD1-CG2 3.69Å; F244-T269 HydrophobicContact CE1-CG2 4.38Å; F244-T269 HydrophobicContact CG-CG2 4.01Å; F244-A273 HydrophobicContact CE1-CB 4.25Å; F244-L274 HydrophobicContact CZ-CB 4.32Å; F244-L274 HydrophobicContact CZ-CD1 4.21Å; F244-Y277 AromaticContact CD1-CD2 3.96Å; F244-Y277 HydrophobicContact CD1-CD2 3.96Å; F244-Y277 HydrophobicContact CD1-CE2 4.33Å; F244-Y277 AromaticContact CE1-CD2 3.89Å; F244-Y277 HydrophobicContact CE1-CD2 3.89Å; F244-M478 HydrophobicContact CD2-CE 4.32Å; F244-M478 HydrophobicContact CE2-CE 3.96Å; F244-M478 HydrophobicContact CE2-SD 4.35Å
245T96.7Very high95.7Very high86 Ų8642.2 Ų42.253%0.52820%0.2SC..Hα-helixtrans-59.1-38.4179.3-54.50000111.8K241 R242 R249K241-T245 WeakPolarHBondContact O-CB 3.34Å; K241-T245 PolarHBondContact O-N 3.48Å; K241-T245 PolarHBondContact O-OG1 2.81Å; R242-T245 PolarHBondContact O-N 2.61Å; T245-R249 PolarHBondContact O-N 2.83Å
246H97.3Very high96.2Very high7 Ų743.6 Ų43.63%0.03221%0.206CC..Hα-helixtrans-76.7-34177.1-168.183.6000112.7R242 L243 F244 R249 I250 L306 L363 T365 P366R242-H246 WeakPolarHBondContact O-CB 3.33Å; R242-H246 PolarHBondContact O-N 3.12Å; R242-H246 VanDerWaalsContact O-N 3.08Å; L243-H246 PolarHBondContact O-N 2.76Å; F244-H246 VanDerWaalsContact C-N 3.26Å; F244-H246 PolarHBondContact O-N 3.03Å; H246-R249 WeakPolarHBondContact O-CB 3.48Å; H246-R249 PolarHBondContact O-N 2.74Å; H246-I250 WeakPolarHBondContact O-CG1 3.43Å; H246-I250 PolarHBondContact O-N 2.94Å; H246-L306 WeakPolarHBondContact CD2-CD1 3.36Å; H246-L363 PolarHBondContact NE2-O 2.77Å; H246-T365 PolarHBondContact CE1-O 2.69Å; H246-T365 PolarHBondContact NE2-O 3.17Å; H246-P366 HydrophobicContact CB-CB 4.17Å
247H97.7Very high96.6Very high1 Ų144.7 Ų44.71%0.00521%0.211CC..Hα-helixtrans-59.7-47.7170.4-177.897.9000111.3L243 F244 R249 I250 V251 T269 Y272 Y277 L313L243-H247 WeakPolarHBondContact O-CB 3.47Å; L243-H247 PolarHBondContact O-N 2.74Å; F244-H247 WeakPolarHBondContact O-CB 3.16Å; F244-H247 PolarHBondContact O-N 3.04Å; F244-H247 VanDerWaalsContact O-N 3.12Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.87Å; H247-I250 WeakPolarHBondContact O-CA 3.31Å; H247-I250 WeakPolarHBondContact O-CB 3.41Å; H247-I250 PolarHBondContact O-N 3.22Å; H247-V251 WeakPolarHBondContact NE2-CG2 3.27Å; H247-V251 WeakPolarHBondContact O-CG2 3.16Å; H247-V251 PolarHBondContact O-N 3.08Å; H247-T269 HydrophobicContact CB-CG2 4.35Å; H247-Y272 AromaticContact NE2-CE2 3.96Å; H247-Y272 PolarHBondContact NE2-OH 3.45Å; H247-Y277 HydrophobicContact CB-CE2 4.38Å; H247-Y277 AromaticContact ND1-CZ 3.93Å; H247-Y277 PolarHBondContact ND1-OH 3.45Å; H247-L313 WeakPolarHBondContact NE2-CD1 3.4Å
248E97.5Very high96.8Very high37 Ų3743.5 Ų43.517%0.17321%0.206CC..Hα-helixtrans-58.5-42.4176-73.1162.6-161.400111.6F244 I250 V251 R252 T269 Y485F244-E248 WeakPolarHBondContact O-CG 3.07Å; F244-E248 PolarHBondContact O-N 2.85Å; E248-I250 VanDerWaalsContact C-N 3.34Å; E248-I250 PolarHBondContact O-N 2.89Å; E248-V251 PolarHBondContact O-N 2.97Å; E248-R252 VanDerWaalsContact O-CB 3.23Å; E248-R252 WeakPolarHBondContact O-CB 3.32Å; E248-R252 PolarHBondContact O-N 2.95Å; E248-T269 WeakPolarHBondContact CG-OG1 3.23Å; E248-T269 WeakPolarHBondContact OE1-CB 3.34Å; E248-T269 PolarHBondContact OE1-OG1 3.49Å; E248-Y485 PolarHBondContact OE2-OH 3.43Å; E248-Y485 VanDerWaalsContact OE2-OH 3.08Å
249R97.3Very high97Very high137 Ų13743.6 Ų43.652%0.51720%0.204SC..Hα-helixtrans-61.7-37.1172.7169.8178.1160.1163.8-8112.9T245 H246 H247 K253 L363T245-R249 PolarHBondContact O-N 2.83Å; H246-R249 WeakPolarHBondContact O-CB 3.48Å; H246-R249 PolarHBondContact O-N 2.74Å; H247-R249 VanDerWaalsContact C-N 3.31Å; H247-R249 PolarHBondContact O-N 2.87Å; R249-K253 WeakPolarHBondContact O-CB 3.39Å; R249-K253 PolarHBondContact O-N 2.94Å; R249-L363 HydrophobicContact CG-CD2 4.14Å
250I97.9Very high97.2Very high0 Ų050.9 Ų50.90%024%0.236CC..Hα-helixtrans-66.7-51.1174.9-71.5164.4000110.5H246 H247 E248 R252 K253 L254 L306 Y310 L358 L363H246-I250 WeakPolarHBondContact O-CG1 3.43Å; H246-I250 PolarHBondContact O-N 2.94Å; H247-I250 WeakPolarHBondContact O-CA 3.31Å; H247-I250 WeakPolarHBondContact O-CB 3.41Å; H247-I250 PolarHBondContact O-N 3.22Å; E248-I250 VanDerWaalsContact C-N 3.34Å; E248-I250 PolarHBondContact O-N 2.89Å; I250-R252 PolarHBondContact O-N 3.35Å; I250-K253 PolarHBondContact O-N 3.06Å; I250-L254 HydrophobicContact CG2-CD1 4.27Å; I250-L254 WeakPolarHBondContact O-CB 3.19Å; I250-L254 PolarHBondContact O-N 3.42Å; I250-L306 HydrophobicContact CD1-CB 4.16Å; I250-L306 HydrophobicContact CD1-CD1 4.37Å; I250-L306 HydrophobicContact CD1-CD2 4.2Å; I250-L306 HydrophobicContact CD1-CG 4.49Å; I250-Y310 HydrophobicContact CG2-CD2 3.66Å; I250-Y310 HydrophobicContact CG2-CE2 4.44Å; I250-Y310 HydrophobicContact CG2-CG 4.02Å; I250-L358 HydrophobicContact CD1-CD2 3.97Å; I250-L358 HydrophobicContact CG1-CD2 3.92Å; I250-L358 HydrophobicContact CG2-CD2 3.78Å; I250-L363 HydrophobicContact CG1-CB 4.12Å; I250-L363 HydrophobicContact CG1-CD1 4.21Å; I250-L363 HydrophobicContact CG1-CD2 4.47Å
251V97.7Very high97.3Very high3 Ų352 Ų522%0.01824%0.241CC..Hα-helixtrans-61.3-46.5-178.61740000110.9H247 E248 K253 L254 L255 D259 L313H247-V251 WeakPolarHBondContact NE2-CG2 3.27Å; H247-V251 WeakPolarHBondContact O-CG2 3.16Å; H247-V251 PolarHBondContact O-N 3.08Å; E248-V251 PolarHBondContact O-N 2.97Å; V251-K253 VanDerWaalsContact C-N 3.32Å; V251-K253 PolarHBondContact O-N 3.37Å; V251-L254 PolarHBondContact O-N 3.2Å; V251-L255 HydrophobicContact CG1-CB 4.42Å; V251-L255 CarbonylContact O-C 3.17Å; V251-L255 VanDerWaalsContact O-CA 3.3Å; V251-L255 WeakPolarHBondContact O-CA 3.35Å; V251-L255 PolarHBondContact O-N 3.42Å; V251-D259 HydrophobicContact CG1-CB 4.08Å; V251-L313 HydrophobicContact CG2-CD1 3.54Å
252R97.5Very high97.4Very high141 Ų14149.3 Ų49.353%0.53223%0.23SC..Hα-helixtrans-60.5-36.1177.2-168.6170.4-56.6146.814.6113.9E248 I250 D259E248-R252 VanDerWaalsContact O-CB 3.23Å; E248-R252 WeakPolarHBondContact O-CB 3.32Å; E248-R252 PolarHBondContact O-N 2.95Å; I250-R252 PolarHBondContact O-N 3.35Å; R252-D259 WeakPolarHBondContact CB-OD1 3.48Å; R252-D259 WeakPolarHBondContact CG-OD2 3.48Å; R252-D259 IonicContact NE-OD1 2.71Å; R252-D259 IonicContact NE-OD2 3.71Å
253K97.4Very high97.4Very high112 Ų11252.5 Ų52.549%0.48725%0.253SS..Hα-helixtrans-84.8-35.3-179.9179.4168.7159.1-169.30113.5R249 I250 V251 N361 L363R249-K253 WeakPolarHBondContact O-CB 3.39Å; R249-K253 PolarHBondContact O-N 2.94Å; I250-K253 PolarHBondContact O-N 3.06Å; V251-K253 VanDerWaalsContact C-N 3.32Å; V251-K253 PolarHBondContact O-N 3.37Å; K253-N361 WeakPolarHBondContact CE-OD1 3.46Å; K253-N361 PolarHBondContact NZ-O 3.33Å; K253-N361 PolarHBondContact NZ-OD1 3.39Å; K253-L363 HydrophobicContact CD-CD1 4.11Å
254L97.4Very high97.4Very high35 Ų3559.4 Ų59.418%0.18328%0.283CS..Hα-helixtrans-111-15.8-170.7-59.5-174.8000114.9I250 V251 Y310 L357 L358 L363I250-L254 HydrophobicContact CG2-CD1 4.27Å; I250-L254 WeakPolarHBondContact O-CB 3.19Å; I250-L254 PolarHBondContact O-N 3.42Å; V251-L254 PolarHBondContact O-N 3.2Å; L254-Y310 HydrophobicContact CB-CD2 4.47Å; L254-Y310 HydrophobicContact CB-CE2 3.58Å; L254-Y310 HydrophobicContact CD1-CD2 4.49Å; L254-Y310 HydrophobicContact CD1-CE1 4.43Å; L254-Y310 HydrophobicContact CD1-CE2 3.92Å; L254-Y310 HydrophobicContact CG-CE2 4.41Å; L254-L357 HydrophobicContact CD1-CD2 4.37Å; L254-L357 HydrophobicContact CD1-CG 4.45Å; L254-L358 HydrophobicContact CD1-CD2 3.79Å; L254-L363 HydrophobicContact CD1-CD1 4.14Å; L254-L363 HydrophobicContact CG-CD1 4.24Å
255L97.5Very high97.4Very high24 Ų2461 Ų6113%0.12629%0.29CS..  trans-135.551.8176.4-60.5170.2000111.4V251 I257 L258 D259 Y310 L313V251-L255 HydrophobicContact CG1-CB 4.42Å; V251-L255 CarbonylContact O-C 3.17Å; V251-L255 VanDerWaalsContact O-CA 3.3Å; V251-L255 WeakPolarHBondContact O-CA 3.35Å; V251-L255 PolarHBondContact O-N 3.42Å; L255-I257 PolarHBondContact O-N 3.2Å; L255-L258 HydrophobicContact CB-CB 4.02Å; L255-L258 HydrophobicContact CD1-CD2 4.1Å; L255-L258 WeakPolarHBondContact O-CA 3.31Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.31Å; L255-D259 PolarHBondContact O-N 2.96Å; L255-Y310 HydrophobicContact CD1-CD2 4.05Å; L255-Y310 HydrophobicContact CD1-CE2 3.9Å; L255-Y310 HydrophobicContact CD2-CE2 4.4Å; L255-Y310 HydrophobicContact CG-CD2 4.46Å; L255-Y310 HydrophobicContact CG-CE2 3.87Å; L255-L313 HydrophobicContact CD1-CB 3.61Å
256P97.8Very high97.3Very high65 Ų6562.5 Ų62.542%0.42230%0.295SS..Hα-helixtrans-62.4-18.1-171.125.6-36.3000115.2K260P256-K260 WeakPolarHBondContact O-CG 3.37Å; P256-K260 PolarHBondContact O-N 3.08Å
257I98.1Very high97.2Very high124 Ų12462.6 Ų62.664%0.63630%0.295SS*.Hα-helixtrans-74.2-39172.3-54.7177.6000110.3L255 H261 L321L255-I257 PolarHBondContact O-N 3.2Å; I257-H261 PolarHBondContact O-N 2.84Å; I257-H261 VanDerWaalsContact O-N 3.13Å; I257-L321 HydrophobicContact CG2-CD1 4.04Å; I257-L321 HydrophobicContact CG2-CD2 3.96Å
258L97.6Very high97.1Very high1 Ų167.4 Ų67.41%0.00532%0.321CS..Hα-helixtrans-75.8-37.5178-166.866.7000111.6L255 K260 H261 F262 L313 L320 L321L255-L258 HydrophobicContact CB-CB 4.02Å; L255-L258 HydrophobicContact CD1-CD2 4.1Å; L255-L258 WeakPolarHBondContact O-CA 3.31Å; L255-L258 WeakPolarHBondContact O-CB 3.45Å; L255-L258 PolarHBondContact O-N 3.31Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.82Å; L258-H261 PolarHBondContact O-N 2.97Å; L258-H261 VanDerWaalsContact O-N 3.12Å; L258-F262 HydrophobicContact CD1-CD1 4.05Å; L258-F262 HydrophobicContact CD1-CE1 3.56Å; L258-F262 HydrophobicContact CD1-CZ 4.1Å; L258-F262 HydrophobicContact CD2-CE1 4.25Å; L258-F262 HydrophobicContact CD2-CE2 4.39Å; L258-F262 HydrophobicContact CD2-CZ 3.93Å; L258-F262 HydrophobicContact CG-CD1 4.1Å; L258-F262 HydrophobicContact CG-CE1 3.72Å; L258-F262 HydrophobicContact CG-CE2 4.32Å; L258-F262 HydrophobicContact CG-CZ 3.86Å; L258-F262 WeakPolarHBondContact O-CB 3.4Å; L258-F262 WeakPolarHBondContact O-CG 3.46Å; L258-F262 PolarHBondContact O-N 3.24Å; L258-L313 HydrophobicContact CD2-CB 3.91Å; L258-L313 HydrophobicContact CD2-CD2 4.2Å; L258-L313 HydrophobicContact CD2-CG 4.45Å; L258-L320 HydrophobicContact CD1-CB 3.74Å; L258-L320 HydrophobicContact CD1-CD1 4.3Å; L258-L320 HydrophobicContact CD2-CD1 4.08Å; L258-L321 HydrophobicContact CD1-CD2 3.89Å; L258-L321 HydrophobicContact CD1-CG 4.13Å
259D97.6Very high97Very high27 Ų2766 Ų6614%0.14432%0.315CS..Hα-helixtrans-53.9-46.5171.3-172.375.1000111.3V251 R252 L255 T263V251-D259 HydrophobicContact CG1-CB 4.08Å; R252-D259 WeakPolarHBondContact CB-OD1 3.48Å; R252-D259 WeakPolarHBondContact CG-OD2 3.48Å; R252-D259 IonicContact NE-OD1 2.71Å; R252-D259 IonicContact NE-OD2 3.71Å; L255-D259 PolarHBondContact O-N 2.96Å; D259-T263 WeakPolarHBondContact O-CB 3.29Å; D259-T263 PolarHBondContact O-N 3.05Å; D259-T263 PolarHBondContact O-OG1 3.12Å
260K97.7Very high96.9Very high153 Ų15361.4 Ų61.467%0.66530%0.303SS*.Hα-helixtrans-64.7-40.6174.2-72.9176.1-179.5-173.90113.2P256 L258 T263 K264P256-K260 WeakPolarHBondContact O-CG 3.37Å; P256-K260 PolarHBondContact O-N 3.08Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.82Å; K260-T263 PolarHBondContact O-N 3.41Å; K260-K264 WeakPolarHBondContact O-CB 3.09Å; K260-K264 PolarHBondContact O-N 3.27Å
261H97.9Very high96.6Very high24 Ų2463.8 Ų63.811%0.11132%0.318CS..Hα-helixtrans-67.1-42.8178.1-172.372.6000112.1I257 L258 K264 H265 L320 L321 M323I257-H261 PolarHBondContact O-N 2.84Å; I257-H261 VanDerWaalsContact O-N 3.13Å; L258-H261 PolarHBondContact O-N 2.97Å; L258-H261 VanDerWaalsContact O-N 3.12Å; H261-K264 PolarHBondContact O-N 3.4Å; H261-H265 AromaticContact CE1-CD2 3.4Å; H261-H265 PolarHBondContact CE1-CD2 3.29Å; H261-H265 VanDerWaalsContact CE1-CD2 3.4Å; H261-H265 AromaticContact CE1-NE2 3.53Å; H261-H265 AromaticContact ND1-CD2 3.7Å; H261-H265 AromaticContact ND1-NE2 4Å; H261-H265 AromaticContact NE2-CD2 3.76Å; H261-H265 PolarHBondContact O-CD2 2.73Å; H261-H265 PolarHBondContact O-N 3.11Å; H261-H265 VanDerWaalsContact O-N 3.14Å; H261-L320 PolarHBondContact CD2-O 2.98Å; H261-L320 PolarHBondContact NE2-O 3.24Å; H261-L320 VanDerWaalsContact NE2-O 3.16Å; H261-L321 HydrophobicContact CB-CD2 3.65Å; H261-M323 PolarHBondContact CE1-O 3.1Å; H261-M323 PolarHBondContact NE2-O 3.08Å
262F97.4Very high96.5Very high12 Ų1264 Ų645%0.05332%0.319CS..Hα-helixtrans-62.8-43.8174.2-75.47.4000111.2L258 K264 H265 D266 M267 Y272 L313 L320 M328 F332L258-F262 HydrophobicContact CD1-CD1 4.05Å; L258-F262 HydrophobicContact CD1-CE1 3.56Å; L258-F262 HydrophobicContact CD1-CZ 4.1Å; L258-F262 HydrophobicContact CD2-CE1 4.25Å; L258-F262 HydrophobicContact CD2-CE2 4.39Å; L258-F262 HydrophobicContact CD2-CZ 3.93Å; L258-F262 HydrophobicContact CG-CD1 4.1Å; L258-F262 HydrophobicContact CG-CE1 3.72Å; L258-F262 HydrophobicContact CG-CE2 4.32Å; L258-F262 HydrophobicContact CG-CZ 3.86Å; L258-F262 WeakPolarHBondContact O-CB 3.4Å; L258-F262 WeakPolarHBondContact O-CG 3.46Å; L258-F262 PolarHBondContact O-N 3.24Å; F262-K264 VanDerWaalsContact C-N 3.34Å; F262-K264 PolarHBondContact O-N 2.96Å; F262-H265 CarbonylContact O-C 3.44Å; F262-H265 PolarHBondContact O-N 3.38Å; F262-D266 PolarHBondContact O-N 2.71Å; F262-D266 VanDerWaalsContact O-N 3.07Å; F262-M267 HydrophobicContact CB-CB 3.98Å; F262-M267 HydrophobicContact CD1-CB 4.23Å; F262-M267 HydrophobicContact CD1-CG 4.29Å; F262-M267 HydrophobicContact CG-CB 4.06Å; F262-M267 HydrophobicContact CG-CG 4.31Å; F262-M267 PolarHBondContact O-N 2.88Å; F262-Y272 HydrophobicContact CD2-CE1 4.31Å; F262-Y272 HydrophobicContact CE2-CE1 4Å; F262-Y272 AromaticContact CE2-CZ 3.77Å; F262-L313 HydrophobicContact CE2-CD1 4.3Å; F262-L313 HydrophobicContact CE2-CD2 4.08Å; F262-L313 HydrophobicContact CZ-CD2 3.79Å; F262-L320 HydrophobicContact CZ-CD1 4.43Å; F262-M328 HydrophobicContact CD1-CE 4.29Å; F262-M328 HydrophobicContact CD1-SD 3.79Å; F262-M328 HydrophobicContact CE1-SD 3.47Å; F262-M328 WeakPolarHBondContact CE1-SD 3.41Å; F262-F332 HydrophobicContact CZ-CE2 4.24Å; F262-F332 HydrophobicContact CZ-CZ 4.14Å
263T96.4Very high96.4Very high97 Ų9757.3 Ų57.360%0.59529%0.293SS*.Hα-helixtrans-61.2-40.3174.6-54.70000112.1D259 K260 H265D259-T263 WeakPolarHBondContact O-CB 3.29Å; D259-T263 PolarHBondContact O-N 3.05Å; D259-T263 PolarHBondContact O-OG1 3.12Å; K260-T263 PolarHBondContact O-N 3.41Å; T263-H265 VanDerWaalsContact C-N 3.26Å; T263-H265 PolarHBondContact O-N 2.93Å
264K96.9Very high96.3Very high149 Ų14952.5 Ų52.565%0.64827%0.273SS*.Hα-helixtrans-65.7-25.9177176.7-175.1169.1-120.70113.5K260 H261 F262K260-K264 WeakPolarHBondContact O-CB 3.09Å; K260-K264 PolarHBondContact O-N 3.27Å; H261-K264 PolarHBondContact O-N 3.4Å; F262-K264 VanDerWaalsContact C-N 3.34Å; F262-K264 PolarHBondContact O-N 2.96Å
265H96.2Very high96.2Very high46 Ų4651.3 Ų51.321%0.21327%0.266CS..THydrogen-bonded Turntrans-116.222.9-175.4-72.6-79.2000112.4H261 F262 T263 M267 Q325 M328H261-H265 AromaticContact CE1-CD2 3.4Å; H261-H265 PolarHBondContact CE1-CD2 3.29Å; H261-H265 VanDerWaalsContact CE1-CD2 3.4Å; H261-H265 AromaticContact CE1-NE2 3.53Å; H261-H265 AromaticContact ND1-CD2 3.7Å; H261-H265 AromaticContact ND1-NE2 4Å; H261-H265 AromaticContact NE2-CD2 3.76Å; H261-H265 PolarHBondContact O-CD2 2.73Å; H261-H265 PolarHBondContact O-N 3.11Å; H261-H265 VanDerWaalsContact O-N 3.14Å; F262-H265 CarbonylContact O-C 3.44Å; F262-H265 PolarHBondContact O-N 3.38Å; T263-H265 VanDerWaalsContact C-N 3.26Å; T263-H265 PolarHBondContact O-N 2.93Å; H265-M267 PolarHBondContact O-N 3.02Å; H265-Q325 HydrophobicContact CB-CB 4.41Å; H265-Q325 WeakPolarHBondContact O-CB 3.31Å; H265-Q325 WeakPolarHBondContact O-CG 3.44Å; H265-Q325 PolarHBondContact O-NE2 3.21Å; H265-M328 HydrophobicContact CB-CE 3.97Å
266D94.7Very high96.1Very high118 Ų11850.1 Ų50.163%0.63126%0.26SS*.THydrogen-bonded Turntrans46.236.1179.2-65.3-55.4000114.3F262 L268 Q325F262-D266 PolarHBondContact O-N 2.71Å; F262-D266 VanDerWaalsContact O-N 3.07Å; D266-L268 PolarHBondContact O-N 3.12Å; D266-Q325 PolarHBondContact O-NE2 3.18Å
267M95.4Very high96.1Very high8 Ų847 Ų474%0.03924%0.24CC..  trans-86.176.2-171.5-168.456.217200111.4F262 H265 T271 Y272 Q325 M328 F332F262-M267 HydrophobicContact CB-CB 3.98Å; F262-M267 HydrophobicContact CD1-CB 4.23Å; F262-M267 HydrophobicContact CD1-CG 4.29Å; F262-M267 HydrophobicContact CG-CB 4.06Å; F262-M267 HydrophobicContact CG-CG 4.31Å; F262-M267 PolarHBondContact O-N 2.88Å; H265-M267 PolarHBondContact O-N 3.02Å; M267-T271 HydrophobicContact CE-CG2 4.42Å; M267-T271 HydrophobicContact SD-CG2 4.28Å; M267-Y272 HydrophobicContact CE-CD1 3.8Å; M267-Y272 HydrophobicContact CE-CG 4.27Å; M267-Y272 HydrophobicContact CG-CD1 4.17Å; M267-Y272 HydrophobicContact CG-CE1 4.27Å; M267-Y272 HydrophobicContact SD-CD1 4.43Å; M267-Q325 HydrophobicContact SD-CG 4.04Å; M267-M328 HydrophobicContact CB-CE 4.07Å; M267-M328 HydrophobicContact CE-CB 3.85Å; M267-M328 HydrophobicContact CG-CE 4.08Å; M267-F332 HydrophobicContact CE-CD2 3.7Å; M267-F332 HydrophobicContact CE-CE2 3.91Å
268L94.7Very high96Very high102 Ų10241.6 Ų41.653%0.53421%0.212SC..  trans-59.7140.6-179.7-57.3179.1000112.5D266 S270 T271 Y272D266-L268 PolarHBondContact O-N 3.12Å; L268-S270 PolarHBondContact O-N 3.14Å; L268-S270 VanDerWaalsContact O-N 3.16Å; L268-T271 VanDerWaalsContact O-CB 3.31Å; L268-T271 WeakPolarHBondContact O-CB 3.32Å; L268-T271 PolarHBondContact O-N 3.27Å; L268-T271 PolarHBondContact O-OG1 2.78Å; L268-Y272 WeakPolarHBondContact O-CD1 3.27Å; L268-Y272 WeakPolarHBondContact O-CE1 3.04Å
269T96.1Very high95.9Very high8 Ų841.7 Ų41.75%0.04921%0.213CC..Hα-helixtrans-53.3-36.4177.2-45.80000112.9F244 H247 E248 T271 A273F244-T269 HydrophobicContact CB-CG2 4.06Å; F244-T269 HydrophobicContact CD1-CG2 3.69Å; F244-T269 HydrophobicContact CE1-CG2 4.38Å; F244-T269 HydrophobicContact CG-CG2 4.01Å; H247-T269 HydrophobicContact CB-CG2 4.35Å; E248-T269 WeakPolarHBondContact CG-OG1 3.23Å; E248-T269 WeakPolarHBondContact OE1-CB 3.34Å; E248-T269 PolarHBondContact OE1-OG1 3.49Å; T269-T271 VanDerWaalsContact C-N 3.29Å; T269-T271 PolarHBondContact O-N 3.12Å; T269-A273 HydrophobicContact CG2-CB 4.08Å; T269-A273 VanDerWaalsContact O-CB 3.31Å; T269-A273 WeakPolarHBondContact O-CB 3.31Å; T269-A273 PolarHBondContact O-N 2.87Å
270S94Very high95.8Very high40 Ų4040.6 Ų40.628%0.2821%0.207SC..Hα-helixtrans-67.4-22177.150.60000114.4L268 L274L268-S270 PolarHBondContact O-N 3.14Å; L268-S270 VanDerWaalsContact O-N 3.16Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å
271T93.5Very high95.8Very high50 Ų5033.5 Ų33.531%0.30718%0.176SC..Hα-helixtrans-73.4-31.8180-55.70000112.5M267 L268 T269 T329 Q333M267-T271 HydrophobicContact CE-CG2 4.42Å; M267-T271 HydrophobicContact SD-CG2 4.28Å; L268-T271 VanDerWaalsContact O-CB 3.31Å; L268-T271 WeakPolarHBondContact O-CB 3.32Å; L268-T271 PolarHBondContact O-N 3.27Å; L268-T271 PolarHBondContact O-OG1 2.78Å; T269-T271 VanDerWaalsContact C-N 3.29Å; T269-T271 PolarHBondContact O-N 3.12Å; T271-T329 HydrophobicContact CG2-CG2 4.2Å; T271-Q333 PolarHBondContact O-NE2 2.86Å
272Y94.6Very high95.6Very high8 Ų832.6 Ų32.63%0.03117%0.172CC..Hα-helixtrans-115.6-42.2-177.262.9-88.6000113.9H247 F262 M267 L268 L274 W276 L313 F332H247-Y272 AromaticContact NE2-CE2 3.96Å; H247-Y272 PolarHBondContact NE2-OH 3.45Å; F262-Y272 HydrophobicContact CD2-CE1 4.31Å; F262-Y272 HydrophobicContact CE2-CE1 4Å; F262-Y272 AromaticContact CE2-CZ 3.77Å; M267-Y272 HydrophobicContact CE-CD1 3.8Å; M267-Y272 HydrophobicContact CE-CG 4.27Å; M267-Y272 HydrophobicContact CG-CD1 4.17Å; M267-Y272 HydrophobicContact CG-CE1 4.27Å; M267-Y272 HydrophobicContact SD-CD1 4.43Å; L268-Y272 WeakPolarHBondContact O-CD1 3.27Å; L268-Y272 WeakPolarHBondContact O-CE1 3.04Å; Y272-L274 PolarHBondContact O-N 3.37Å; Y272-W276 HydrophobicContact CD2-CE3 4.25Å; Y272-W276 AromaticContact CD2-CH2 3.58Å; Y272-W276 HydrophobicContact CD2-CH2 3.58Å; Y272-W276 HydrophobicContact CD2-CZ2 4.08Å; Y272-W276 AromaticContact CD2-CZ3 3.68Å; Y272-W276 HydrophobicContact CD2-CZ3 3.68Å; Y272-W276 HydrophobicContact CE2-CE3 4.49Å; Y272-W276 AromaticContact CE2-CH2 4Å; Y272-W276 HydrophobicContact CE2-CH2 4Å; Y272-W276 AromaticContact CE2-CZ3 3.77Å; Y272-W276 HydrophobicContact CE2-CZ3 3.77Å; Y272-L313 HydrophobicContact CE2-CD1 4.5Å; Y272-F332 VanDerWaalsContact CB-CD2 3.44Å; Y272-F332 HydrophobicContact CD1-CE2 4.42Å; Y272-F332 HydrophobicContact CD2-CD2 4.33Å; Y272-F332 HydrophobicContact CD2-CE2 4.24Å; Y272-F332 AromaticContact CG-CD2 3.89Å; Y272-F332 HydrophobicContact CG-CD2 3.89Å; Y272-F332 HydrophobicContact CG-CE2 4.01Å
273A95.9Very high95.2Very high0 Ų035 Ų350%019%0.185CC..SBendtrans-87.3-1.6-171.700000114.6F244 T269 K275 W276 Y277F244-A273 HydrophobicContact CE1-CB 4.25Å; T269-A273 HydrophobicContact CG2-CB 4.08Å; T269-A273 VanDerWaalsContact O-CB 3.31Å; T269-A273 WeakPolarHBondContact O-CB 3.31Å; T269-A273 PolarHBondContact O-N 2.87Å; A273-K275 PolarHBondContact O-N 3.01Å; A273-W276 HydrophobicContact CB-CB 4.45Å; A273-W276 HydrophobicContact CB-CD2 4.12Å; A273-W276 HydrophobicContact CB-CE3 3.69Å; A273-W276 HydrophobicContact CB-CG 4.46Å; A273-W276 HydrophobicContact CB-CZ3 4.33Å; A273-W276 WeakPolarHBondContact O-CB 3.5Å; A273-W276 PolarHBondContact O-N 3.11Å; A273-W276 VanDerWaalsContact O-N 3.11Å; A273-Y277 HydrophobicContact CB-CD2 3.92Å; A273-Y277 HydrophobicContact CB-CE2 3.83Å; A273-Y277 WeakPolarHBondContact O-CD2 3.33Å; A273-Y277 PolarHBondContact O-N 3.49Å; A273-Y277 VanDerWaalsContact O-N 3.09Å
274L95.1Very high95.1Very high11 Ų1132 Ų326%0.05816%0.163CC..Hα-helixtrans-57.2-52.9-177.9176.460.9000112.6L240 F244 S270 Y272 W276 M278 T474L240-L274 HydrophobicContact CD1-CD1 4.48Å; L240-L274 HydrophobicContact CD2-CD1 3.59Å; F244-L274 HydrophobicContact CZ-CB 4.32Å; F244-L274 HydrophobicContact CZ-CD1 4.21Å; S270-L274 WeakPolarHBondContact O-CB 3.36Å; Y272-L274 PolarHBondContact O-N 3.37Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 PolarHBondContact O-N 3.45Å; L274-M278 HydrophobicContact CD1-CG 3.67Å; L274-M278 HydrophobicContact CG-CG 4.38Å; L274-M278 VanDerWaalsContact O-CB 3.28Å; L274-M278 WeakPolarHBondContact O-CB 3.24Å; L274-M278 WeakPolarHBondContact O-CG 3.48Å; L274-M278 PolarHBondContact O-N 2.94Å; L274-T474 HydrophobicContact CD1-CG2 3.96Å; L274-T474 HydrophobicContact CD2-CG2 4.32Å
275K94.1Very high95Very high10 Ų1025 Ų254%0.04313%0.133CC..Hα-helixtrans-68-28.5174.7-81.6-163.5164.1-117.20112.8A273 Y277 Q279 D283 R284 T468A273-K275 PolarHBondContact O-N 3.01Å; K275-Y277 PolarHBondContact O-N 3.46Å; K275-Q279 VanDerWaalsContact CD-OE1 3.25Å; K275-Q279 VanDerWaalsContact CG-OE1 3.27Å; K275-Q279 WeakPolarHBondContact O-CA 3.47Å; K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 PolarHBondContact O-N 3.32Å; K275-D283 IonicContact NZ-OD2 2.73Å; K275-D283 PolarHBondContact NZ-OD2 2.89Å; K275-R284 HydrophobicContact CB-CG 3.56Å; K275-R284 HydrophobicContact CD-CG 4.09Å; K275-R284 HydrophobicContact CG-CG 4.47Å; K275-T468 VanDerWaalsContact CE-OG1 3.27Å; K275-T468 WeakPolarHBondContact CE-OG1 3.39Å
276W97.1Very high94.8Very high0 Ų023.9 Ų23.90%013%0.13CC..Hα-helixtrans-60.6-46.3177.7-61-4.5000111.4Y272 A273 L274 C280 F281 A309 I312 L313 F332Y272-W276 HydrophobicContact CD2-CE3 4.25Å; Y272-W276 AromaticContact CD2-CH2 3.58Å; Y272-W276 HydrophobicContact CD2-CH2 3.58Å; Y272-W276 HydrophobicContact CD2-CZ2 4.08Å; Y272-W276 AromaticContact CD2-CZ3 3.68Å; Y272-W276 HydrophobicContact CD2-CZ3 3.68Å; Y272-W276 HydrophobicContact CE2-CE3 4.49Å; Y272-W276 AromaticContact CE2-CH2 4Å; Y272-W276 HydrophobicContact CE2-CH2 4Å; Y272-W276 AromaticContact CE2-CZ3 3.77Å; Y272-W276 HydrophobicContact CE2-CZ3 3.77Å; A273-W276 HydrophobicContact CB-CB 4.45Å; A273-W276 HydrophobicContact CB-CD2 4.12Å; A273-W276 HydrophobicContact CB-CE3 3.69Å; A273-W276 HydrophobicContact CB-CG 4.46Å; A273-W276 HydrophobicContact CB-CZ3 4.33Å; A273-W276 WeakPolarHBondContact O-CB 3.5Å; A273-W276 PolarHBondContact O-N 3.11Å; A273-W276 VanDerWaalsContact O-N 3.11Å; L274-W276 VanDerWaalsContact C-N 3.31Å; L274-W276 PolarHBondContact O-N 3.45Å; W276-C280 WeakPolarHBondContact O-CA 3.36Å; W276-C280 PolarHBondContact O-N 2.84Å; W276-F281 HydrophobicContact CB-CD1 3.78Å; W276-F281 HydrophobicContact CB-CE1 3.44Å; W276-F281 VanDerWaalsContact CB-CE1 3.44Å; W276-F281 HydrophobicContact CB-CG 4.47Å; W276-F281 HydrophobicContact CB-CZ 3.88Å; W276-F281 AromaticContact CD1-CD1 3.7Å; W276-F281 AromaticContact CD1-CE1 3.88Å; W276-F281 HydrophobicContact CD2-CD1 4.26Å; W276-F281 AromaticContact CD2-CE1 3.65Å; W276-F281 HydrophobicContact CD2-CE1 3.65Å; W276-F281 HydrophobicContact CE3-CE1 4.06Å; W276-F281 AromaticContact CG-CD1 3.65Å; W276-F281 HydrophobicContact CG-CD1 3.65Å; W276-F281 AromaticContact CG-CE1 3.38Å; W276-F281 HydrophobicContact CG-CE1 3.38Å; W276-F281 HydrophobicContact CG-CZ 4.26Å; W276-F281 PolarHBondContact O-N 3.35Å; W276-A309 HydrophobicContact CE3-CB 3.68Å; W276-A309 HydrophobicContact CZ3-CB 3.95Å; W276-I312 HydrophobicContact CD2-CD1 4.41Å; W276-I312 HydrophobicContact CH2-CB 4.24Å; W276-I312 HydrophobicContact CH2-CD1 4.12Å; W276-I312 HydrophobicContact CH2-CG2 3.87Å; W276-I312 HydrophobicContact CZ2-CD1 3.98Å; W276-I312 HydrophobicContact CZ2-CG2 4.09Å; W276-I312 HydrophobicContact CZ3-CD1 4.4Å; W276-L313 HydrophobicContact CH2-CD2 4.36Å; W276-F332 AromaticContact CH2-CD1 3.99Å; W276-F332 HydrophobicContact CH2-CD1 3.99Å; W276-F332 AromaticContact CH2-CE1 3.91Å; W276-F332 HydrophobicContact CH2-CE1 3.91Å; W276-F332 AromaticContact CZ2-CD1 3.65Å; W276-F332 HydrophobicContact CZ2-CD1 3.65Å; W276-F332 HydrophobicContact CZ2-CE1 4.06Å; W276-F332 HydrophobicContact CZ2-CG 4.23Å
277Y96.9Very high94.5Very high0 Ų020.2 Ų20.20%011%0.112CC..Hα-helixtrans-85.7-41.8-179.6-69.6-66.1000113.6M229 L243 F244 H247 A273 K275 L305 L306 A309M229-Y277 WeakPolarHBondContact CE-O 3.42Å; L243-Y277 HydrophobicContact CB-CD1 4.08Å; L243-Y277 HydrophobicContact CB-CE1 4.33Å; L243-Y277 HydrophobicContact CB-CG 4.26Å; L243-Y277 HydrophobicContact CD1-CD1 3.91Å; L243-Y277 HydrophobicContact CD1-CG 4.34Å; L243-Y277 HydrophobicContact CD2-CD1 4.34Å; L243-Y277 HydrophobicContact CD2-CE1 4.33Å; L243-Y277 HydrophobicContact CG-CD1 4.34Å; F244-Y277 AromaticContact CD1-CD2 3.96Å; F244-Y277 HydrophobicContact CD1-CD2 3.96Å; F244-Y277 HydrophobicContact CD1-CE2 4.33Å; F244-Y277 AromaticContact CE1-CD2 3.89Å; F244-Y277 HydrophobicContact CE1-CD2 3.89Å; H247-Y277 HydrophobicContact CB-CE2 4.38Å; H247-Y277 AromaticContact ND1-CZ 3.93Å; H247-Y277 PolarHBondContact ND1-OH 3.45Å; A273-Y277 HydrophobicContact CB-CD2 3.92Å; A273-Y277 HydrophobicContact CB-CE2 3.83Å; A273-Y277 WeakPolarHBondContact O-CD2 3.33Å; A273-Y277 PolarHBondContact O-N 3.49Å; A273-Y277 VanDerWaalsContact O-N 3.09Å; K275-Y277 PolarHBondContact O-N 3.46Å; Y277-L305 HydrophobicContact CD1-CB 3.86Å; Y277-L305 HydrophobicContact CD1-CD1 4.48Å; Y277-L305 HydrophobicContact CE1-CB 3.79Å; Y277-L306 HydrophobicContact CE1-CD2 4.11Å; Y277-A309 HydrophobicContact CE2-CB 4.48Å; Y277-A309 VanDerWaalsContact OH-CB 3.24Å; Y277-A309 WeakPolarHBondContact OH-CB 3.4Å
278M95.1Very high94.3Very high9 Ų920.7 Ų20.74%0.04412%0.115CC..Hα-helixtrans-65.3-46.6178.7-66.8-74.4-75.800111.8M229 V232 Y233 F237 L240 L274M229-M278 VanDerWaalsContact CE-O 3.24Å; M229-M278 WeakPolarHBondContact CE-O 3.12Å; V232-M278 HydrophobicContact CG1-SD 3.53Å; V232-M278 VanDerWaalsContact CG1-SD 3.53Å; Y233-M278 HydrophobicContact CD1-CE 3.64Å; Y233-M278 HydrophobicContact CD1-SD 4.5Å; Y233-M278 HydrophobicContact CE1-CE 3.42Å; Y233-M278 VanDerWaalsContact CE1-CE 3.42Å; Y233-M278 HydrophobicContact CE1-SD 4.36Å; Y233-M278 PolarHBondContact OH-O 3.22Å; F237-M278 HydrophobicContact CD1-CE 4.18Å; F237-M278 HydrophobicContact CD1-SD 4.33Å; F237-M278 HydrophobicContact CE1-CE 3.95Å; L240-M278 HydrophobicContact CD1-CG 4.16Å; L240-M278 HydrophobicContact CD1-SD 4.21Å; L240-M278 HydrophobicContact CD2-CG 4.4Å; L240-M278 HydrophobicContact CD2-SD 3.99Å; L274-M278 HydrophobicContact CD1-CG 3.67Å; L274-M278 HydrophobicContact CG-CG 4.38Å; L274-M278 VanDerWaalsContact O-CB 3.28Å; L274-M278 WeakPolarHBondContact O-CB 3.24Å; L274-M278 WeakPolarHBondContact O-CG 3.48Å; L274-M278 PolarHBondContact O-N 2.94Å
279Q95.5Very high94.3Very high4 Ų415.8 Ų15.82%0.0199%0.089CC..THydrogen-bonded Turntrans-112.216.3-168.2-48.2-166.6-80.200113.1G196 E199 K275 F281 L282G196-Q279 PolarHBondContact O-NE2 3.09Å; E199-Q279 PolarHBondContact OE1-NE2 3.47Å; E199-Q279 PolarHBondContact OE2-NE2 2.85Å; K275-Q279 VanDerWaalsContact CD-OE1 3.25Å; K275-Q279 VanDerWaalsContact CG-OE1 3.27Å; K275-Q279 WeakPolarHBondContact O-CA 3.47Å; K275-Q279 WeakPolarHBondContact O-CB 3.49Å; K275-Q279 PolarHBondContact O-N 3.32Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.49Å; Q279-L282 HydrophobicContact CB-CB 4.21Å; Q279-L282 VanDerWaalsContact O-CB 3.29Å; Q279-L282 WeakPolarHBondContact O-CB 3.36Å; Q279-L282 WeakPolarHBondContact O-CD1 3.5Å; Q279-L282 VanDerWaalsContact O-CG 3.27Å; Q279-L282 WeakPolarHBondContact O-CG 3.42Å; Q279-L282 PolarHBondContact O-N 2.69Å
280C97Very high94.3Very high3 Ų315.8 Ų15.82%0.029%0.089CC..THydrogen-bonded Turntrans47.749.3179.1-50.60000112.8W276 L282 W294 Y297 L305W276-C280 WeakPolarHBondContact O-CA 3.36Å; W276-C280 PolarHBondContact O-N 2.84Å; C280-L282 VanDerWaalsContact C-N 3.28Å; C280-L282 PolarHBondContact O-N 3Å; C280-W294 HydrophobicContact CB-CZ2 3.65Å; C280-W294 PolarHBondContact O-NE1 3.41Å; C280-W294 VanDerWaalsContact O-NE1 3.14Å; C280-Y297 HydrophobicContact CB-CD1 4.41Å; C280-Y297 HydrophobicContact CB-CE1 4.09Å; C280-Y297 VanDerWaalsContact SG-CE1 3.52Å; C280-L305 HydrophobicContact CB-CD2 4.02Å
281F96.6Very high94.3Very high4 Ų414 Ų142%0.0188%0.076CC..THydrogen-bonded Turntrans64.17.7-176.4-55.5-89.7000118W276 Q279 R284 L285 L305 M308 A309 I312W276-F281 HydrophobicContact CB-CD1 3.78Å; W276-F281 HydrophobicContact CB-CE1 3.44Å; W276-F281 VanDerWaalsContact CB-CE1 3.44Å; W276-F281 HydrophobicContact CB-CG 4.47Å; W276-F281 HydrophobicContact CB-CZ 3.88Å; W276-F281 AromaticContact CD1-CD1 3.7Å; W276-F281 AromaticContact CD1-CE1 3.88Å; W276-F281 HydrophobicContact CD2-CD1 4.26Å; W276-F281 AromaticContact CD2-CE1 3.65Å; W276-F281 HydrophobicContact CD2-CE1 3.65Å; W276-F281 HydrophobicContact CE3-CE1 4.06Å; W276-F281 AromaticContact CG-CD1 3.65Å; W276-F281 HydrophobicContact CG-CD1 3.65Å; W276-F281 AromaticContact CG-CE1 3.38Å; W276-F281 HydrophobicContact CG-CE1 3.38Å; W276-F281 HydrophobicContact CG-CZ 4.26Å; W276-F281 PolarHBondContact O-N 3.35Å; Q279-F281 VanDerWaalsContact C-N 3.28Å; Q279-F281 PolarHBondContact O-N 3.49Å; F281-R284 PolarHBondContact O-N 3.48Å; F281-R284 VanDerWaalsContact O-N 3.14Å; F281-L285 HydrophobicContact CB-CD1 3.74Å; F281-L285 HydrophobicContact CB-CG 4.19Å; F281-L285 HydrophobicContact CD1-CD1 3.79Å; F281-L285 HydrophobicContact CD1-CG 4.29Å; F281-L285 HydrophobicContact CG-CD1 3.9Å; F281-L305 HydrophobicContact CD2-CD2 4.17Å; F281-L305 HydrophobicContact CE2-CD2 3.92Å; F281-M308 HydrophobicContact CE1-CG 4.24Å; F281-M308 HydrophobicContact CE2-CB 3.86Å; F281-M308 HydrophobicContact CE2-CG 4.05Å; F281-M308 HydrophobicContact CZ-CB 3.83Å; F281-M308 HydrophobicContact CZ-CG 3.91Å; F281-A309 HydrophobicContact CZ-CB 4.16Å; F281-I312 HydrophobicContact CD1-CD1 4.04Å; F281-I312 HydrophobicContact CE1-CD1 3.55Å
282L94.3Very high94.4Very high6 Ų612 Ų123%0.0316%0.063CC..THydrogen-bonded Turntrans-56.2143.7170.4-67.9164.5000111F160 E199 L200 L203 Q279 C280 R284 V290 W294F160-L282 HydrophobicContact CZ-CD1 4.5Å; F160-L282 HydrophobicContact CZ-CD2 4.16Å; E199-L282 HydrophobicContact CB-CD1 4.1Å; L200-L282 HydrophobicContact CD2-CD1 3.98Å; L203-L282 HydrophobicContact CB-CD1 4.46Å; L203-L282 HydrophobicContact CD1-CD2 4.17Å; L203-L282 HydrophobicContact CD2-CD1 4.37Å; L203-L282 HydrophobicContact CD2-CD2 3.99Å; L203-L282 HydrophobicContact CG-CD2 4.47Å; Q279-L282 HydrophobicContact CB-CB 4.21Å; Q279-L282 VanDerWaalsContact O-CB 3.29Å; Q279-L282 WeakPolarHBondContact O-CB 3.36Å; Q279-L282 WeakPolarHBondContact O-CD1 3.5Å; Q279-L282 VanDerWaalsContact O-CG 3.27Å; Q279-L282 WeakPolarHBondContact O-CG 3.42Å; Q279-L282 PolarHBondContact O-N 2.69Å; C280-L282 VanDerWaalsContact C-N 3.28Å; C280-L282 PolarHBondContact O-N 3Å; L282-R284 PolarHBondContact O-N 3.09Å; L282-V290 HydrophobicContact CD2-CG1 3.65Å; L282-V290 HydrophobicContact CG-CG1 4.48Å; L282-W294 HydrophobicContact CD1-CZ2 4Å; L282-W294 HydrophobicContact CG-CZ2 4.46Å
283D89.9Confident94.6Very high62 Ų6211.9 Ų11.933%0.3326%0.063SC..THydrogen-bonded Turntrans54.67.3-172.4-53.1-20.6000116.6K275 V337K275-D283 IonicContact NZ-OD2 2.73Å; K275-D283 PolarHBondContact NZ-OD2 2.89Å; D283-V337 WeakPolarHBondContact O-CG2 3.43Å
284R93.5Very high94.6Very high33 Ų3312 Ų1213%0.1256%0.063CC..THydrogen-bonded Turntrans-115-10.1-176.7-62.8-63.684.5175.5-12.4114.5K275 F281 L282 Q333K275-R284 HydrophobicContact CB-CG 3.56Å; K275-R284 HydrophobicContact CD-CG 4.09Å; K275-R284 HydrophobicContact CG-CG 4.47Å; F281-R284 PolarHBondContact O-N 3.48Å; F281-R284 VanDerWaalsContact O-N 3.14Å; L282-R284 PolarHBondContact O-N 3.09Å; R284-Q333 PolarHBondContact NH1-O 2.94Å; R284-Q333 PolarHBondContact NH2-O 3.05Å
285L94.9Very high94.7Very high4 Ų411.4 Ų11.42%0.0216%0.06CC..SBendtrans-138.7162178.4-63.3177.3000109.3F281 L289 V290 L293 M308 I312 L336 F340F281-L285 HydrophobicContact CB-CD1 3.74Å; F281-L285 HydrophobicContact CB-CG 4.19Å; F281-L285 HydrophobicContact CD1-CD1 3.79Å; F281-L285 HydrophobicContact CD1-CG 4.29Å; F281-L285 HydrophobicContact CG-CD1 3.9Å; L285-L289 HydrophobicContact CB-CD2 4.37Å; L285-L289 HydrophobicContact CD1-CD2 4.19Å; L285-L289 HydrophobicContact CD1-CG 4.47Å; L285-L289 HydrophobicContact CD2-CD2 4.43Å; L285-V290 HydrophobicContact CB-CG2 3.79Å; L285-V290 WeakPolarHBondContact O-CG2 3.4Å; L285-L293 HydrophobicContact CD1-CD1 3.4Å; L285-M308 HydrophobicContact CD1-CE 3.84Å; L285-I312 HydrophobicContact CD2-CD1 4.18Å; L285-L336 HydrophobicContact CD2-CB 4.47Å; L285-F340 HydrophobicContact CD2-CD2 3.58Å; L285-F340 HydrophobicContact CD2-CE2 3.53Å
286P92.2Very high94.9Very high22 Ų2211 Ų1114%0.1436%0.058CC..  trans-64.2146.1179.7-19.834.8000111T288 L289 V290 L336 F340P286-T288 VanDerWaalsContact C-N 3.27Å; P286-T288 PolarHBondContact O-N 2.87Å; P286-L289 WeakPolarHBondContact O-CB 3.43Å; P286-L289 PolarHBondContact O-N 3.03Å; P286-V290 WeakPolarHBondContact O-CG2 3.46Å; P286-V290 PolarHBondContact O-N 3.14Å; P286-L336 VanDerWaalsContact CD-O 3.3Å; P286-L336 WeakPolarHBondContact CD-O 3.29Å; P286-F340 HydrophobicContact CG-CB 4.19Å
287V89.3Confident94.9Very high41 Ų4111.1 Ų11.125%0.2486%0.059CC..Hα-helixtrans-57.2-37.6-171.164.50000113.4Y44 F46 L289 V290 L291Y44-V287 HydrophobicContact CD2-CG1 4.1Å; F46-V287 HydrophobicContact CD2-CG2 4.23Å; F46-V287 HydrophobicContact CE1-CG2 4.47Å; F46-V287 HydrophobicContact CE2-CG2 3.64Å; F46-V287 HydrophobicContact CZ-CG2 3.77Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 3.24Å; V287-V290 PolarHBondContact O-N 3Å; V287-L291 HydrophobicContact CG2-CD1 4.02Å; V287-L291 HydrophobicContact CG2-CG 4.26Å; V287-L291 VanDerWaalsContact O-CG 3.28Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 2.92Å
288T91Very high94.8Very high17 Ų1711.1 Ų11.110%0.1046%0.059CC..Hα-helixtrans-56.8-44.5176.155.70000111.5Y44 Y63 P286 R292 D344Y44-T288 HydrophobicContact CE2-CG2 3.7Å; Y63-T288 HydrophobicContact CD2-CG2 3.4Å; Y63-T288 VanDerWaalsContact CE2-CB 3.47Å; Y63-T288 HydrophobicContact CE2-CG2 3.39Å; Y63-T288 HydrophobicContact CG-CG2 4.38Å; P286-T288 VanDerWaalsContact C-N 3.27Å; P286-T288 PolarHBondContact O-N 2.87Å; T288-R292 VanDerWaalsContact O-CG 3.24Å; T288-R292 WeakPolarHBondContact O-CG 3.22Å; T288-R292 PolarHBondContact O-N 3.04Å; T288-D344 WeakPolarHBondContact CB-OD2 3.27Å; T288-D344 PolarHBondContact OG1-OD2 3.45Å
289L94.5Very high94.8Very high0 Ų011.1 Ų11.10%06%0.059CC..Hα-helixtrans-75.1-41.3-179.4-178.457.5000110.8L285 P286 V287 L291 R292 L293 M308 F340 D344 V347 I348L285-L289 HydrophobicContact CB-CD2 4.37Å; L285-L289 HydrophobicContact CD1-CD2 4.19Å; L285-L289 HydrophobicContact CD1-CG 4.47Å; L285-L289 HydrophobicContact CD2-CD2 4.43Å; P286-L289 WeakPolarHBondContact O-CB 3.43Å; P286-L289 PolarHBondContact O-N 3.03Å; V287-L289 VanDerWaalsContact C-N 3.3Å; V287-L289 PolarHBondContact O-N 3.24Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.16Å; L289-R292 PolarHBondContact O-N 2.87Å; L289-L293 HydrophobicContact CD1-CD1 4.45Å; L289-L293 HydrophobicContact CD1-CG 4.29Å; L289-L293 HydrophobicContact CG-CD1 4.09Å; L289-L293 HydrophobicContact CG-CG 4.4Å; L289-L293 WeakPolarHBondContact O-CB 3.31Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.18Å; L289-L293 PolarHBondContact O-N 2.93Å; L289-M308 HydrophobicContact CD2-CE 4.12Å; L289-F340 HydrophobicContact CD2-CB 4.31Å; L289-F340 HydrophobicContact CD2-CD1 4.24Å; L289-F340 HydrophobicContact CD2-CD2 3.79Å; L289-F340 HydrophobicContact CD2-CE2 4.18Å; L289-F340 HydrophobicContact CD2-CG 3.82Å; L289-D344 VanDerWaalsContact CA-OD2 3.31Å; L289-D344 WeakPolarHBondContact CA-OD2 3.29Å; L289-D344 HydrophobicContact CD1-CB 4.09Å; L289-D344 PolarHBondContact N-OD2 3.39Å; L289-V347 HydrophobicContact CD1-CB 4.11Å; L289-V347 HydrophobicContact CD1-CG1 3.85Å; L289-V347 HydrophobicContact CD2-CG1 4.09Å; L289-I348 HydrophobicContact CD1-CD1 4.15Å; L289-I348 HydrophobicContact CD1-CG1 4.27Å
290V95.4Very high94.6Very high7 Ų713 Ų134%0.0427%0.068CC..Hα-helixtrans-56.6-47.7175.4173.90000110.6L282 L285 P286 V287 R292 L293 W294L282-V290 HydrophobicContact CD2-CG1 3.65Å; L282-V290 HydrophobicContact CG-CG1 4.48Å; L285-V290 HydrophobicContact CB-CG2 3.79Å; L285-V290 WeakPolarHBondContact O-CG2 3.4Å; P286-V290 WeakPolarHBondContact O-CG2 3.46Å; P286-V290 PolarHBondContact O-N 3.14Å; V287-V290 PolarHBondContact O-N 3Å; V290-R292 VanDerWaalsContact C-N 3.33Å; V290-R292 PolarHBondContact O-N 3.14Å; V290-L293 WeakPolarHBondContact O-CB 3.48Å; V290-L293 PolarHBondContact O-N 3.45Å; V290-W294 WeakPolarHBondContact O-CB 3.42Å; V290-W294 VanDerWaalsContact O-CD1 3.31Å; V290-W294 PolarHBondContact O-N 3.38Å
291L94.7Very high94.5Very high3 Ų312.8 Ų12.82%0.0167%0.067CC..Hα-helixtrans-64.6-37.2179-66.7172.8000112.4Y44 W118 L203 Y207 V287 L289 W294 D295Y44-L291 HydrophobicContact CD1-CD1 3.36Å; Y44-L291 HydrophobicContact CD2-CD1 4.33Å; Y44-L291 HydrophobicContact CE1-CD1 3.5Å; Y44-L291 HydrophobicContact CE2-CD1 4.46Å; Y44-L291 HydrophobicContact CG-CD1 3.8Å; W118-L291 HydrophobicContact CH2-CD2 4.15Å; W118-L291 HydrophobicContact CZ2-CD2 4.42Å; L203-L291 HydrophobicContact CD1-CD2 4.22Å; Y207-L291 HydrophobicContact CE2-CD2 3.55Å; Y207-L291 VanDerWaalsContact OH-CD1 3.28Å; Y207-L291 WeakPolarHBondContact OH-CD1 3.41Å; Y207-L291 WeakPolarHBondContact OH-CD2 3.43Å; V287-L291 HydrophobicContact CG2-CD1 4.02Å; V287-L291 HydrophobicContact CG2-CG 4.26Å; V287-L291 VanDerWaalsContact O-CG 3.28Å; V287-L291 WeakPolarHBondContact O-CG 3.3Å; V287-L291 PolarHBondContact O-N 2.92Å; L289-L291 VanDerWaalsContact C-N 3.33Å; L289-L291 PolarHBondContact O-N 3.16Å; L291-W294 PolarHBondContact O-N 3.15Å; L291-D295 PolarHBondContact O-N 2.96Å
292R95.4Very high94.4Very high9 Ų913.6 Ų13.63%0.0347%0.071CC..Hα-helixtrans-67.7-34.8173.6-72-70.4-62.5-78.56.1113.2F106 T288 L289 V290 I296 D345 I348F106-R292 PolarHBondContact O-NH2 3.47Å; F106-R292 VanDerWaalsContact O-NH2 3.08Å; T288-R292 VanDerWaalsContact O-CG 3.24Å; T288-R292 WeakPolarHBondContact O-CG 3.22Å; T288-R292 PolarHBondContact O-N 3.04Å; L289-R292 PolarHBondContact O-N 2.87Å; V290-R292 VanDerWaalsContact C-N 3.33Å; V290-R292 PolarHBondContact O-N 3.14Å; R292-I296 WeakPolarHBondContact O-CD1 3.05Å; R292-I296 WeakPolarHBondContact O-CG1 3.43Å; R292-D345 IonicContact CZ-OD1 3.46Å; R292-D345 IonicContact NH1-OD1 3.52Å; R292-D345 PolarHBondContact NH1-OD1 3.42Å; R292-D345 IonicContact NH2-OD1 3.62Å; R292-D345 PolarHBondContact NH2-OD1 2.78Å; R292-I348 HydrophobicContact CB-CD1 4.18Å; R292-I348 HydrophobicContact CB-CG1 4.28Å
293L97.6Very high94.4Very high5 Ų516 Ų163%0.0268%0.081CC..Hα-helixtrans-70-42.9172.6-70.7169.5000110.9L285 L289 V290 I296 Y297 L304 M308 I348 L351L285-L293 HydrophobicContact CD1-CD1 3.4Å; L289-L293 HydrophobicContact CD1-CD1 4.45Å; L289-L293 HydrophobicContact CD1-CG 4.29Å; L289-L293 HydrophobicContact CG-CD1 4.09Å; L289-L293 HydrophobicContact CG-CG 4.4Å; L289-L293 WeakPolarHBondContact O-CB 3.31Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.18Å; L289-L293 PolarHBondContact O-N 2.93Å; V290-L293 WeakPolarHBondContact O-CB 3.48Å; V290-L293 PolarHBondContact O-N 3.45Å; L293-I296 CarbonylContact O-C 3.46Å; L293-I296 PolarHBondContact O-N 3.29Å; L293-I296 VanDerWaalsContact O-N 3.14Å; L293-Y297 WeakPolarHBondContact O-CB 3.44Å; L293-Y297 PolarHBondContact O-N 3.3Å; L293-L304 VanDerWaalsContact O-CD2 3.27Å; L293-L304 WeakPolarHBondContact O-CD2 3.45Å; L293-M308 HydrophobicContact CD1-CE 4.15Å; L293-M308 HydrophobicContact CD1-CG 3.95Å; L293-M308 HydrophobicContact CD1-SD 4.43Å; L293-M308 HydrophobicContact CD2-CB 4.25Å; L293-M308 HydrophobicContact CD2-CG 3.79Å; L293-M308 HydrophobicContact CD2-SD 3.88Å; L293-I348 HydrophobicContact CD2-CD1 3.96Å; L293-I348 HydrophobicContact CG-CD1 4.43Å; L293-L351 HydrophobicContact CD2-CD2 3.43Å; L293-L351 VanDerWaalsContact CD2-CD2 3.43Å
294W97.6Very high94.7Very high1 Ų113.2 Ų13.20%0.0047%0.066CC..Hα-helixtrans-65.4-39.6178.7-89.777.3000112.9W118 L200 L203 F204 L221 C280 L282 V290 L291 I296 Y297 L298W118-W294 HydrophobicContact CH2-CB 3.9Å; W118-W294 HydrophobicContact CH2-CE3 4.49Å; W118-W294 HydrophobicContact CH2-CG 4.46Å; W118-W294 HydrophobicContact CZ2-CB 3.76Å; W118-W294 HydrophobicContact CZ3-CE3 4.49Å; L200-W294 HydrophobicContact CD2-CH2 3.81Å; L200-W294 HydrophobicContact CD2-CZ2 3.69Å; L203-W294 HydrophobicContact CD2-CD2 3.33Å; L203-W294 HydrophobicContact CD2-CE3 3.64Å; L203-W294 HydrophobicContact CD2-CG 3.8Å; L203-W294 HydrophobicContact CD2-CH2 3.95Å; L203-W294 HydrophobicContact CD2-CZ2 3.69Å; L203-W294 HydrophobicContact CD2-CZ3 3.95Å; F204-W294 AromaticContact CE1-CZ3 3.84Å; F204-W294 HydrophobicContact CE1-CZ3 3.84Å; F204-W294 HydrophobicContact CZ-CH2 4.31Å; F204-W294 AromaticContact CZ-CZ3 3.72Å; F204-W294 HydrophobicContact CZ-CZ3 3.72Å; L221-W294 HydrophobicContact CD2-CH2 3.96Å; L221-W294 HydrophobicContact CD2-CZ3 4.46Å; C280-W294 HydrophobicContact CB-CZ2 3.65Å; C280-W294 PolarHBondContact O-NE1 3.41Å; C280-W294 VanDerWaalsContact O-NE1 3.14Å; L282-W294 HydrophobicContact CD1-CZ2 4Å; L282-W294 HydrophobicContact CG-CZ2 4.46Å; V290-W294 WeakPolarHBondContact O-CB 3.42Å; V290-W294 VanDerWaalsContact O-CD1 3.31Å; V290-W294 PolarHBondContact O-N 3.38Å; L291-W294 PolarHBondContact O-N 3.15Å; W294-I296 PolarHBondContact O-N 2.8Å; W294-Y297 HydrophobicContact CD2-CD1 4.3Å; W294-Y297 HydrophobicContact CE3-CD1 4.18Å; W294-Y297 HydrophobicContact CZ3-CD1 4.33Å; W294-Y297 PolarHBondContact O-N 2.72Å; W294-Y297 VanDerWaalsContact O-N 3.12Å; W294-L298 HydrophobicContact CE3-CD2 4.27Å; W294-L298 HydrophobicContact CE3-CG 4.39Å; W294-L298 HydrophobicContact CZ3-CD2 4.34Å; W294-L298 WeakPolarHBondContact O-CG 3.43Å; W294-L298 PolarHBondContact O-N 3.07Å; W294-L298 VanDerWaalsContact O-N 3.08Å
295D96.9Very high94.9Very high0 Ų011.9 Ų11.90%06%0.061CC..Hα-helixtrans-50.7-44170-71.4-15.3000111.6I105 I109 R114 W118 L291I105-D295 HydrophobicContact CG2-CB 4.34Å; I105-D295 WeakPolarHBondContact CG2-O 3.35Å; I109-D295 WeakPolarHBondContact CB-OD2 3.27Å; I109-D295 HydrophobicContact CD1-CB 3.86Å; I109-D295 WeakPolarHBondContact CD1-OD1 3.41Å; I109-D295 HydrophobicContact CG1-CB 3.9Å; I109-D295 PolarHBondContact N-OD2 2.94Å; R114-D295 IonicContact CZ-OD1 2.7Å; R114-D295 IonicContact CZ-OD2 3.06Å; R114-D295 IonicContact NE-OD1 3.53Å; R114-D295 PolarHBondContact NE-OD1 3.33Å; R114-D295 IonicContact NE-OD2 2.72Å; R114-D295 IonicContact NH2-OD1 3.39Å; R114-D295 PolarHBondContact NH2-OD1 3.41Å; R114-D295 IonicContact NH2-OD2 3.06Å; R114-D295 PolarHBondContact NH2-OD2 2.96Å; W118-D295 PolarHBondContact NE1-OD1 2.89Å; L291-D295 PolarHBondContact O-N 2.96Å
296I97.3Very high95.1Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-80.5-32.5179.5-59162.6000111.4I105 F106 R292 L293 W294 L299 E300 L304 I348I105-I296 HydrophobicContact CG2-CG1 4.12Å; F106-I296 HydrophobicContact CD1-CD1 3.56Å; F106-I296 HydrophobicContact CD1-CG1 4.04Å; F106-I296 HydrophobicContact CD1-CG2 4.34Å; F106-I296 HydrophobicContact CE1-CD1 3.86Å; F106-I296 HydrophobicContact CE1-CG1 4.29Å; F106-I296 HydrophobicContact CE1-CG2 3.76Å; F106-I296 HydrophobicContact CE2-CG2 3.95Å; F106-I296 HydrophobicContact CG-CD1 4.14Å; F106-I296 HydrophobicContact CG-CG1 4.19Å; F106-I296 HydrophobicContact CZ-CG2 3.54Å; R292-I296 WeakPolarHBondContact O-CD1 3.05Å; R292-I296 WeakPolarHBondContact O-CG1 3.43Å; L293-I296 CarbonylContact O-C 3.46Å; L293-I296 PolarHBondContact O-N 3.29Å; L293-I296 VanDerWaalsContact O-N 3.14Å; W294-I296 PolarHBondContact O-N 2.8Å; I296-L299 WeakPolarHBondContact O-CB 3.4Å; I296-L299 PolarHBondContact O-N 3.4Å; I296-L299 VanDerWaalsContact O-N 3.08Å; I296-E300 HydrophobicContact CG2-CB 4.32Å; I296-E300 HydrophobicContact CG2-CG 3.69Å; I296-E300 WeakPolarHBondContact O-CB 3.37Å; I296-E300 PolarHBondContact O-N 3.2Å; I296-L304 HydrophobicContact CB-CD1 4.47Å; I296-L304 HydrophobicContact CB-CD2 3.92Å; I296-L304 HydrophobicContact CG2-CD1 3.68Å; I296-L304 HydrophobicContact CG2-CD2 3.87Å; I296-L304 HydrophobicContact CG2-CG 4.4Å; I296-I348 HydrophobicContact CD1-CD1 3.81Å; I296-I348 HydrophobicContact CD1-CG2 3.87Å
297Y97.4Very high95.3Very high3 Ų310.6 Ų10.61%0.0125%0.053CC..Hα-helixtrans-63.3-46.5-177.8-179.3-134.1000110.6L221 Y227 M229 C280 L293 W294 L299 E300 G301 L304 L305L221-Y297 HydrophobicContact CD1-CE1 3.52Å; L221-Y297 WeakPolarHBondContact CD1-OH 3.45Å; Y227-Y297 HydrophobicContact CD1-CE1 4.28Å; Y227-Y297 AromaticContact CD1-CE2 3.99Å; Y227-Y297 HydrophobicContact CD1-CE2 3.99Å; Y227-Y297 AromaticContact CD1-CZ 3.85Å; Y227-Y297 WeakPolarHBondContact CE1-O 3.43Å; M229-Y297 WeakPolarHBondContact CG-OH 3.4Å; C280-Y297 HydrophobicContact CB-CD1 4.41Å; C280-Y297 HydrophobicContact CB-CE1 4.09Å; C280-Y297 VanDerWaalsContact SG-CE1 3.52Å; L293-Y297 WeakPolarHBondContact O-CB 3.44Å; L293-Y297 PolarHBondContact O-N 3.3Å; W294-Y297 HydrophobicContact CD2-CD1 4.3Å; W294-Y297 HydrophobicContact CE3-CD1 4.18Å; W294-Y297 HydrophobicContact CZ3-CD1 4.33Å; W294-Y297 PolarHBondContact O-N 2.72Å; W294-Y297 VanDerWaalsContact O-N 3.12Å; Y297-L299 PolarHBondContact O-N 2.86Å; Y297-L299 VanDerWaalsContact O-N 3.1Å; Y297-E300 PolarHBondContact O-N 3.35Å; Y297-G301 WeakPolarHBondContact CD2-O 3.2Å; Y297-G301 PolarHBondContact O-N 2.68Å; Y297-L304 VanDerWaalsContact CA-CD2 3.49Å; Y297-L304 HydrophobicContact CD2-CB 4.42Å; Y297-L305 HydrophobicContact CD2-CD2 4.16Å; Y297-L305 HydrophobicContact CD2-CG 4.32Å; Y297-L305 HydrophobicContact CE2-CD1 3.97Å; Y297-L305 HydrophobicContact CE2-CD2 3.99Å; Y297-L305 HydrophobicContact CE2-CG 3.83Å
298L95.4Very high95.8Very high0 Ų08.7 Ų8.70%04%0.041CC..Hα-helixtrans-64.2-11.9176.3-61-176.2000113.6W118 L121 L122 Y227 W294W118-L298 HydrophobicContact CB-CD1 3.72Å; W118-L298 HydrophobicContact CD2-CD1 3.6Å; W118-L298 HydrophobicContact CE3-CD1 4.07Å; W118-L298 HydrophobicContact CG-CD1 3.44Å; W118-L298 VanDerWaalsContact CG-CD1 3.44Å; L121-L298 HydrophobicContact CB-CB 4.02Å; L121-L298 HydrophobicContact CD1-CB 3.87Å; L122-L298 HydrophobicContact CD1-CD1 4.09Å; L122-L298 HydrophobicContact CD1-CD2 3.91Å; L122-L298 HydrophobicContact CD2-CD2 3.92Å; L122-L298 HydrophobicContact CG-CD2 3.91Å; Y227-L298 HydrophobicContact CE1-CD2 4.3Å; Y227-L298 WeakPolarHBondContact OH-CA 3.49Å; Y227-L298 PolarHBondContact OH-O 2.92Å; Y227-L298 VanDerWaalsContact OH-O 3.08Å; W294-L298 HydrophobicContact CE3-CD2 4.27Å; W294-L298 HydrophobicContact CE3-CG 4.39Å; W294-L298 HydrophobicContact CZ3-CD2 4.34Å; W294-L298 WeakPolarHBondContact O-CG 3.43Å; W294-L298 PolarHBondContact O-N 3.07Å; W294-L298 VanDerWaalsContact O-N 3.08Å
299L93.8Very high96.1Very high10 Ų107.9 Ų7.95%0.0524%0.036CC..Hα-helixtrans-95-53.2170.1171.362.7000112.2Y92 A97 T102 I105 F106 L121 R226 I296 Y297Y92-L299 HydrophobicContact CE2-CD1 4.39Å; A97-L299 HydrophobicContact CB-CD1 3.4Å; T102-L299 HydrophobicContact CG2-CD2 4.05Å; I105-L299 HydrophobicContact CB-CD2 4.19Å; I105-L299 HydrophobicContact CD1-CB 4.3Å; I105-L299 HydrophobicContact CD1-CD2 4.05Å; I105-L299 HydrophobicContact CG2-CB 4.26Å; I105-L299 HydrophobicContact CG2-CD2 3.95Å; F106-L299 HydrophobicContact CE2-CD2 4.44Å; L121-L299 HydrophobicContact CD2-CB 4.49Å; R226-L299 PolarHBondContact NE-O 3.06Å; I296-L299 WeakPolarHBondContact O-CB 3.4Å; I296-L299 PolarHBondContact O-N 3.4Å; I296-L299 VanDerWaalsContact O-N 3.08Å; Y297-L299 PolarHBondContact O-N 2.86Å; Y297-L299 VanDerWaalsContact O-N 3.1Å
300E92.8Very high96.3Very high42 Ų428.4 Ų8.420%0.1964%0.039CC..Hα-helixtrans-95.5-25.6-162.7-63.6-61.9161.400114.2F106 I296 Y297 K303F106-E300 HydrophobicContact CE2-CG 4.17Å; F106-E300 HydrophobicContact CZ-CG 4.16Å; I296-E300 HydrophobicContact CG2-CB 4.32Å; I296-E300 HydrophobicContact CG2-CG 3.69Å; I296-E300 WeakPolarHBondContact O-CB 3.37Å; I296-E300 PolarHBondContact O-N 3.2Å; Y297-E300 PolarHBondContact O-N 3.35Å; E300-K303 WeakPolarHBondContact O-CE 3.44Å; E300-K303 WeakPolarHBondContact O-CG 3.46Å; E300-K303 WeakPolarHBondContact OE2-CE 3.45Å; E300-K303 IonicContact OE2-NZ 3.18Å; E300-K303 PolarHBondContact OE2-NZ 3.24Å
301G93.6Very high96.4Very high0 Ų08.1 Ų8.10%04%0.037CC..  trans81.5-157.9176.600000116.5R226 Y297 K303 L304R226-G301 VanDerWaalsContact CG-CA 3.45Å; R226-G301 CarbonylContact O-C 3.42Å; R226-G301 WeakPolarHBondContact O-CA 3.24Å; Y297-G301 WeakPolarHBondContact CD2-O 3.2Å; Y297-G301 PolarHBondContact O-N 2.68Å; G301-K303 PolarHBondContact O-N 3.35Å; G301-L304 WeakPolarHBondContact O-CB 3.42Å; G301-L304 PolarHBondContact O-N 2.76Å
302E94.5Very high96.6Very high21 Ų218 Ų810%0.0984%0.036CC..Hα-helixtrans-54.5-30.3-170.467.6172.8-166.700114.2R226 N228 R242 L304 L305 L306 P366R226-E302 PolarHBondContact O-N 3.03Å; N228-E302 WeakPolarHBondContact CB-OE2 3.5Å; N228-E302 PolarHBondContact ND2-OE1 2.92Å; N228-E302 PolarHBondContact ND2-OE2 3.22Å; R242-E302 IonicContact CZ-OE1 3.51Å; R242-E302 IonicContact CZ-OE2 2.56Å; R242-E302 IonicContact NH1-OE1 2.65Å; R242-E302 IonicContact NH1-OE2 2.78Å; R242-E302 PolarHBondContact NH1-OE2 3.17Å; R242-E302 IonicContact NH2-OE1 3.2Å; R242-E302 PolarHBondContact NH2-OE1 3.44Å; R242-E302 IonicContact NH2-OE2 3.7Å; R242-E302 PolarHBondContact NH2-OE2 2.8Å; E302-L304 PolarHBondContact O-N 2.96Å; E302-L305 WeakPolarHBondContact O-CB 3.46Å; E302-L305 PolarHBondContact O-N 3.43Å; E302-L306 PolarHBondContact O-N 3Å; E302-P366 VanDerWaalsContact OE1-CD 3.24Å; E302-P366 WeakPolarHBondContact OE1-CD 3.24Å; E302-P366 WeakPolarHBondContact OE1-CG 3.42Å
303K95.1Very high96.7Very high57 Ų577.5 Ų7.525%0.2483%0.034CC..Hα-helixtrans-59.8-27.1176.267.5180-174.3178.10113.4E300 G301 L305 A307 L355 D364E300-K303 WeakPolarHBondContact O-CE 3.44Å; E300-K303 WeakPolarHBondContact O-CG 3.46Å; E300-K303 WeakPolarHBondContact OE2-CE 3.45Å; E300-K303 IonicContact OE2-NZ 3.18Å; E300-K303 PolarHBondContact OE2-NZ 3.24Å; G301-K303 PolarHBondContact O-N 3.35Å; K303-L305 VanDerWaalsContact C-N 3.32Å; K303-A307 WeakPolarHBondContact O-CB 3.37Å; K303-A307 PolarHBondContact O-N 2.88Å; K303-L355 HydrophobicContact CG-CD2 4.36Å; K303-D364 WeakPolarHBondContact CA-O 3.1Å; K303-D364 WeakPolarHBondContact CB-O 3.47Å
304L97.1Very high96.7Very high3 Ų310.4 Ų10.42%0.0165%0.046CC..Hα-helixtrans-67.3-36.2174.8-169.571.9000111.3L293 I296 Y297 G301 E302 L306 A307 M308 L351 L355L293-L304 VanDerWaalsContact O-CD2 3.27Å; L293-L304 WeakPolarHBondContact O-CD2 3.45Å; I296-L304 HydrophobicContact CB-CD1 4.47Å; I296-L304 HydrophobicContact CB-CD2 3.92Å; I296-L304 HydrophobicContact CG2-CD1 3.68Å; I296-L304 HydrophobicContact CG2-CD2 3.87Å; I296-L304 HydrophobicContact CG2-CG 4.4Å; Y297-L304 VanDerWaalsContact CA-CD2 3.49Å; Y297-L304 HydrophobicContact CD2-CB 4.42Å; G301-L304 WeakPolarHBondContact O-CB 3.42Å; G301-L304 PolarHBondContact O-N 2.76Å; E302-L304 PolarHBondContact O-N 2.96Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 3.37Å; L304-A307 PolarHBondContact O-N 3.05Å; L304-M308 WeakPolarHBondContact O-CB 3.4Å; L304-M308 PolarHBondContact O-N 3.42Å; L304-L351 HydrophobicContact CD1-CD1 4.3Å; L304-L351 HydrophobicContact CD1-CD2 3.81Å; L304-L351 HydrophobicContact CD1-CG 4.17Å; L304-L355 HydrophobicContact CD1-CD1 4.09Å
305L97.5Very high96.7Very high4 Ų412.2 Ų12.22%0.0216%0.056CC..Hα-helixtrans-65.7-41.2179.9-55-179.2000110.7M229 Y277 C280 F281 Y297 E302 K303 A309M229-L305 HydrophobicContact SD-CD1 4.3Å; Y277-L305 HydrophobicContact CD1-CB 3.86Å; Y277-L305 HydrophobicContact CD1-CD1 4.48Å; Y277-L305 HydrophobicContact CE1-CB 3.79Å; C280-L305 HydrophobicContact CB-CD2 4.02Å; F281-L305 HydrophobicContact CD2-CD2 4.17Å; F281-L305 HydrophobicContact CE2-CD2 3.92Å; Y297-L305 HydrophobicContact CD2-CD2 4.16Å; Y297-L305 HydrophobicContact CD2-CG 4.32Å; Y297-L305 HydrophobicContact CE2-CD1 3.97Å; Y297-L305 HydrophobicContact CE2-CD2 3.99Å; Y297-L305 HydrophobicContact CE2-CG 3.83Å; E302-L305 WeakPolarHBondContact O-CB 3.46Å; E302-L305 PolarHBondContact O-N 3.43Å; K303-L305 VanDerWaalsContact C-N 3.32Å; L305-A309 WeakPolarHBondContact O-CB 3.33Å; L305-A309 PolarHBondContact O-N 2.72Å; L305-A309 VanDerWaalsContact O-N 3.1Å
306L97.3Very high96.8Very high0 Ų012.6 Ų12.60%06%0.057CC..Hα-helixtrans-61.2-50.1169.7-64.8177.7000112.2L243 H246 I250 Y277 E302 L304 M308 A309 Y310 D364 P366L243-L306 HydrophobicContact CD2-CD2 4.08Å; L243-L306 HydrophobicContact CD2-CG 4.44Å; H246-L306 WeakPolarHBondContact CD2-CD1 3.36Å; I250-L306 HydrophobicContact CD1-CB 4.16Å; I250-L306 HydrophobicContact CD1-CD1 4.37Å; I250-L306 HydrophobicContact CD1-CD2 4.2Å; I250-L306 HydrophobicContact CD1-CG 4.49Å; Y277-L306 HydrophobicContact CE1-CD2 4.11Å; E302-L306 PolarHBondContact O-N 3Å; L304-L306 VanDerWaalsContact C-N 3.34Å; L304-L306 PolarHBondContact O-N 3.37Å; L306-M308 PolarHBondContact O-N 3.22Å; L306-A309 PolarHBondContact O-N 3.18Å; L306-Y310 WeakPolarHBondContact O-CB 3.48Å; L306-Y310 PolarHBondContact O-N 3.09Å; L306-D364 WeakPolarHBondContact CD1-O 3.16Å; L306-P366 HydrophobicContact CD1-CG 3.83Å
307A98Very high96.8Very high0 Ų013.8 Ų13.80%07%0.066CC..Hα-helixtrans-65.2-39.7-175.600000113.1K303 L304 N311 L351 L355 L358K303-A307 WeakPolarHBondContact O-CB 3.37Å; K303-A307 PolarHBondContact O-N 2.88Å; L304-A307 PolarHBondContact O-N 3.05Å; A307-N311 VanDerWaalsContact O-CB 3.29Å; A307-N311 WeakPolarHBondContact O-CB 3.42Å; A307-N311 PolarHBondContact O-N 3.2Å; A307-L351 HydrophobicContact CB-CD1 3.93Å; A307-L355 HydrophobicContact CB-CD2 3.5Å; A307-L355 VanDerWaalsContact CB-CD2 3.5Å; A307-L355 HydrophobicContact CB-CG 3.71Å; A307-L358 HydrophobicContact CB-CD1 3.86Å
308M98.4Very high96.7Very high0 Ų022.1 Ų22.10%010%0.102CC..Hα-helixtrans-73.9-39.6177.6-173.356.1-172.400111.8F281 L285 L289 L293 L304 L306 Y310 N311 I312 F340 V347 L351F281-M308 HydrophobicContact CE1-CG 4.24Å; F281-M308 HydrophobicContact CE2-CB 3.86Å; F281-M308 HydrophobicContact CE2-CG 4.05Å; F281-M308 HydrophobicContact CZ-CB 3.83Å; F281-M308 HydrophobicContact CZ-CG 3.91Å; L285-M308 HydrophobicContact CD1-CE 3.84Å; L289-M308 HydrophobicContact CD2-CE 4.12Å; L293-M308 HydrophobicContact CD1-CE 4.15Å; L293-M308 HydrophobicContact CD1-CG 3.95Å; L293-M308 HydrophobicContact CD1-SD 4.43Å; L293-M308 HydrophobicContact CD2-CB 4.25Å; L293-M308 HydrophobicContact CD2-CG 3.79Å; L293-M308 HydrophobicContact CD2-SD 3.88Å; L304-M308 WeakPolarHBondContact O-CB 3.4Å; L304-M308 PolarHBondContact O-N 3.42Å; L306-M308 PolarHBondContact O-N 3.22Å; M308-Y310 VanDerWaalsContact C-N 3.28Å; M308-Y310 PolarHBondContact O-N 2.96Å; M308-N311 WeakPolarHBondContact O-CB 3.39Å; M308-N311 PolarHBondContact O-N 2.62Å; M308-N311 HydrophobicContact SD-CB 3.97Å; M308-I312 HydrophobicContact CE-CD1 4.26Å; M308-I312 HydrophobicContact CE-CG1 3.8Å; M308-I312 HydrophobicContact CG-CD1 4.49Å; M308-I312 WeakPolarHBondContact O-CG1 3.48Å; M308-I312 PolarHBondContact O-N 2.85Å; M308-F340 HydrophobicContact CE-CE2 4.06Å; M308-F340 HydrophobicContact CE-CZ 3.89Å; M308-V347 HydrophobicContact CE-CG1 3.76Å; M308-V347 HydrophobicContact SD-CG1 4.36Å; M308-L351 HydrophobicContact CB-CD1 3.96Å; M308-L351 HydrophobicContact SD-CD1 4.11Å; M308-L351 HydrophobicContact SD-CD2 4.17Å
309A98.2Very high96.8Very high0 Ų026 Ų260%012%0.117CC..Hα-helixtrans-59.5-40.9173.500000111.5W276 Y277 F281 L305 L306 L313W276-A309 HydrophobicContact CE3-CB 3.68Å; W276-A309 HydrophobicContact CZ3-CB 3.95Å; Y277-A309 HydrophobicContact CE2-CB 4.48Å; Y277-A309 VanDerWaalsContact OH-CB 3.24Å; Y277-A309 WeakPolarHBondContact OH-CB 3.4Å; F281-A309 HydrophobicContact CZ-CB 4.16Å; L305-A309 WeakPolarHBondContact O-CB 3.33Å; L305-A309 PolarHBondContact O-N 2.72Å; L305-A309 VanDerWaalsContact O-N 3.1Å; L306-A309 PolarHBondContact O-N 3.18Å; A309-L313 WeakPolarHBondContact O-CG 3.37Å; A309-L313 PolarHBondContact O-N 3.11Å
310Y98.2Very high97Very high12 Ų1225.6 Ų25.65%0.04711%0.114CC..Hα-helixtrans-65.7-40.8170.5170.9-107.1000112.8I250 L254 L255 L306 M308 I312 L313 K314 C354 L357 L358I250-Y310 HydrophobicContact CG2-CD2 3.66Å; I250-Y310 HydrophobicContact CG2-CE2 4.44Å; I250-Y310 HydrophobicContact CG2-CG 4.02Å; L254-Y310 HydrophobicContact CB-CD2 4.47Å; L254-Y310 HydrophobicContact CB-CE2 3.58Å; L254-Y310 HydrophobicContact CD1-CD2 4.49Å; L254-Y310 HydrophobicContact CD1-CE1 4.43Å; L254-Y310 HydrophobicContact CD1-CE2 3.92Å; L254-Y310 HydrophobicContact CG-CE2 4.41Å; L255-Y310 HydrophobicContact CD1-CD2 4.05Å; L255-Y310 HydrophobicContact CD1-CE2 3.9Å; L255-Y310 HydrophobicContact CD2-CE2 4.4Å; L255-Y310 HydrophobicContact CG-CD2 4.46Å; L255-Y310 HydrophobicContact CG-CE2 3.87Å; L306-Y310 WeakPolarHBondContact O-CB 3.48Å; L306-Y310 PolarHBondContact O-N 3.09Å; M308-Y310 VanDerWaalsContact C-N 3.28Å; M308-Y310 PolarHBondContact O-N 2.96Å; Y310-I312 PolarHBondContact O-N 3.45Å; Y310-L313 PolarHBondContact O-N 2.94Å; Y310-K314 HydrophobicContact CE1-CD 4.23Å; Y310-K314 VanDerWaalsContact O-CB 3.31Å; Y310-K314 WeakPolarHBondContact O-CB 3.5Å; Y310-K314 PolarHBondContact O-N 3.41Å; Y310-C354 HydrophobicContact CD1-CB 3.84Å; Y310-C354 VanDerWaalsContact CD1-SG 3.54Å; Y310-C354 HydrophobicContact CE1-CB 4.11Å; Y310-C354 WeakPolarHBondContact CE1-SG 3.33Å; Y310-L357 HydrophobicContact CE1-CD2 4.14Å; Y310-L357 WeakPolarHBondContact OH-CD2 3.27Å; Y310-L358 HydrophobicContact CD1-CD1 4.48Å
311N98.4Very high97.2Very high0 Ų026.5 Ų26.50%012%0.12CC..Hα-helixtrans-61.8-42.4179.6-166.941.3000112.2A307 M308 L313 K314 M315 V347 S350 L351 C354A307-N311 VanDerWaalsContact O-CB 3.29Å; A307-N311 WeakPolarHBondContact O-CB 3.42Å; A307-N311 PolarHBondContact O-N 3.2Å; M308-N311 WeakPolarHBondContact O-CB 3.39Å; M308-N311 PolarHBondContact O-N 2.62Å; M308-N311 HydrophobicContact SD-CB 3.97Å; N311-L313 PolarHBondContact O-N 3.45Å; N311-K314 PolarHBondContact O-N 3.42Å; N311-M315 WeakPolarHBondContact O-CB 3.26Å; N311-M315 VanDerWaalsContact O-CG 3.28Å; N311-M315 WeakPolarHBondContact O-CG 3.21Å; N311-M315 PolarHBondContact O-N 3.46Å; N311-V347 PolarHBondContact ND2-O 2.83Å; N311-V347 VanDerWaalsContact ND2-O 3.15Å; N311-S350 WeakPolarHBondContact OD1-CB 3.42Å; N311-S350 PolarHBondContact OD1-OG 3.04Å; N311-L351 HydrophobicContact CB-CD1 4.15Å; N311-C354 HydrophobicContact CB-CB 4.47Å; N311-C354 PolarHBondContact OD1-SG 2.88Å
312I98.2Very high97.4Very high0 Ų036.7 Ų36.70%016%0.159CC..Hα-helixtrans-56.9-52.1173.9-64.2168.2000110.1W276 F281 L285 M308 Y310 K314 M315 H316 F332 L336 F340W276-I312 HydrophobicContact CD2-CD1 4.41Å; W276-I312 HydrophobicContact CH2-CB 4.24Å; W276-I312 HydrophobicContact CH2-CD1 4.12Å; W276-I312 HydrophobicContact CH2-CG2 3.87Å; W276-I312 HydrophobicContact CZ2-CD1 3.98Å; W276-I312 HydrophobicContact CZ2-CG2 4.09Å; W276-I312 HydrophobicContact CZ3-CD1 4.4Å; F281-I312 HydrophobicContact CD1-CD1 4.04Å; F281-I312 HydrophobicContact CE1-CD1 3.55Å; L285-I312 HydrophobicContact CD2-CD1 4.18Å; M308-I312 HydrophobicContact CE-CD1 4.26Å; M308-I312 HydrophobicContact CE-CG1 3.8Å; M308-I312 HydrophobicContact CG-CD1 4.49Å; M308-I312 WeakPolarHBondContact O-CG1 3.48Å; M308-I312 PolarHBondContact O-N 2.85Å; Y310-I312 PolarHBondContact O-N 3.45Å; I312-K314 VanDerWaalsContact C-N 3.35Å; I312-K314 PolarHBondContact O-N 3.36Å; I312-M315 PolarHBondContact O-N 2.7Å; I312-H316 PolarHBondContact O-CD2 3.24Å; I312-H316 VanDerWaalsContact O-CD2 3.24Å; I312-H316 PolarHBondContact O-N 2.86Å; I312-F332 HydrophobicContact CG2-CE1 4.17Å; I312-L336 HydrophobicContact CG2-CD1 3.74Å; I312-F340 HydrophobicContact CG1-CE2 4.01Å; I312-F340 HydrophobicContact CG1-CZ 4.09Å
313L98.1Very high97.5Very high0 Ų036.5 Ų36.50%016%0.158CC..Hα-helixtrans-64.5-37.3-179.3-62.8-177.8000112.6H247 V251 L255 L258 F262 Y272 W276 A309 Y310 N311 S317 L320 F332H247-L313 WeakPolarHBondContact NE2-CD1 3.4Å; V251-L313 HydrophobicContact CG2-CD1 3.54Å; L255-L313 HydrophobicContact CD1-CB 3.61Å; L258-L313 HydrophobicContact CD2-CB 3.91Å; L258-L313 HydrophobicContact CD2-CD2 4.2Å; L258-L313 HydrophobicContact CD2-CG 4.45Å; F262-L313 HydrophobicContact CE2-CD1 4.3Å; F262-L313 HydrophobicContact CE2-CD2 4.08Å; F262-L313 HydrophobicContact CZ-CD2 3.79Å; Y272-L313 HydrophobicContact CE2-CD1 4.5Å; W276-L313 HydrophobicContact CH2-CD2 4.36Å; A309-L313 WeakPolarHBondContact O-CG 3.37Å; A309-L313 PolarHBondContact O-N 3.11Å; Y310-L313 PolarHBondContact O-N 2.94Å; N311-L313 PolarHBondContact O-N 3.45Å; L313-S317 WeakPolarHBondContact O-CA 3.35Å; L313-S317 VanDerWaalsContact O-CB 3.29Å; L313-S317 WeakPolarHBondContact O-CB 3.01Å; L313-S317 PolarHBondContact O-N 3.17Å; L313-L320 HydrophobicContact CD2-CD1 3.8Å; L313-F332 HydrophobicContact CD2-CE1 3.91Å; L313-F332 HydrophobicContact CD2-CZ 3.54Å
314K97.9Very high97.5Very high65 Ų6536.3 Ų36.328%0.28316%0.16SC..Hα-helixtrans-61.5-53.6173.2173.4-164.4174.9-160.60111.4Y310 N311 I312 S350 C354Y310-K314 HydrophobicContact CE1-CD 4.23Å; Y310-K314 VanDerWaalsContact O-CB 3.31Å; Y310-K314 WeakPolarHBondContact O-CB 3.5Å; Y310-K314 PolarHBondContact O-N 3.41Å; N311-K314 PolarHBondContact O-N 3.42Å; I312-K314 VanDerWaalsContact C-N 3.35Å; I312-K314 PolarHBondContact O-N 3.36Å; K314-S350 PolarHBondContact NZ-O 3.4Å; K314-S350 PolarHBondContact NZ-OG 3.05Å; K314-C354 WeakPolarHBondContact CD-SG 3.39Å; K314-C354 PolarHBondContact NZ-SG 3Å; K314-C354 VanDerWaalsContact NZ-SG 3.43Å
315M97.8Very high97.5Very high40 Ų4040.2 Ų40.220%0.19718%0.178CC..Hα-helixtrans-69.3-37.2-174.1-67.4-178.980.500112.3N311 I312 F340 F342 V347N311-M315 WeakPolarHBondContact O-CB 3.26Å; N311-M315 VanDerWaalsContact O-CG 3.28Å; N311-M315 WeakPolarHBondContact O-CG 3.21Å; N311-M315 PolarHBondContact O-N 3.46Å; I312-M315 PolarHBondContact O-N 2.7Å; M315-F340 HydrophobicContact CE-CE1 4.37Å; M315-F340 HydrophobicContact SD-CE1 4.04Å; M315-F342 HydrophobicContact CB-CD2 4.43Å; M315-F342 HydrophobicContact CB-CE2 3.87Å; M315-F342 HydrophobicContact CB-CZ 4.36Å; M315-F342 HydrophobicContact CE-CB 3.93Å; M315-F342 HydrophobicContact CE-CD1 4.01Å; M315-F342 HydrophobicContact CE-CD2 3.64Å; M315-F342 HydrophobicContact CE-CE1 4.42Å; M315-F342 HydrophobicContact CE-CE2 4.07Å; M315-F342 HydrophobicContact CE-CG 3.59Å; M315-F342 HydrophobicContact CE-CZ 4.44Å; M315-V347 HydrophobicContact CE-CG2 4.13Å; M315-V347 HydrophobicContact SD-CG1 4.26Å
316H97.8Very high97.3Very high7 Ų746.9 Ų46.93%0.03221%0.211CC..Hα-helixtrans-96.62.4-179.1-59.6-71.6000115I312 K318 R319 L320 F331 F340 F342I312-H316 PolarHBondContact O-CD2 3.24Å; I312-H316 VanDerWaalsContact O-CD2 3.24Å; I312-H316 PolarHBondContact O-N 2.86Å; H316-K318 VanDerWaalsContact C-N 3.3Å; H316-K318 PolarHBondContact O-N 3.04Å; H316-K318 VanDerWaalsContact O-N 3.11Å; H316-R319 WeakPolarHBondContact O-CA 3.29Å; H316-R319 WeakPolarHBondContact O-CB 3.49Å; H316-R319 PolarHBondContact O-N 3.07Å; H316-L320 HydrophobicContact CB-CD1 4.24Å; H316-L320 HydrophobicContact CB-CG 4.27Å; H316-L320 PolarHBondContact O-N 2.85Å; H316-F331 HydrophobicContact CB-CE1 3.95Å; H316-F331 HydrophobicContact CB-CZ 3.94Å; H316-F331 AromaticContact CD2-CZ 3.95Å; H316-F331 AromaticContact CG-CE1 3.99Å; H316-F331 AromaticContact CG-CZ 3.56Å; H316-F331 AromaticContact ND1-CZ 3.61Å; H316-F340 PolarHBondContact CE1-O 3.36Å; H316-F340 VanDerWaalsContact CE1-O 3.24Å; H316-F340 AromaticContact NE2-CE1 3.73Å; H316-F340 AromaticContact NE2-CE2 3.75Å; H316-F340 AromaticContact NE2-CZ 3.51Å; H316-F342 AromaticContact CE1-CD2 3.92Å; H316-F342 AromaticContact CE1-CE2 3.57Å; H316-F342 AromaticContact ND1-CE2 3.92Å
317S97.1Very high97.3Very high26 Ų2651.3 Ų51.318%0.18223%0.231CC..Hα-helixtrans-43.8-48.4-177.4176.80000114L313 R319 L320 L321L313-S317 WeakPolarHBondContact O-CA 3.35Å; L313-S317 VanDerWaalsContact O-CB 3.29Å; L313-S317 WeakPolarHBondContact O-CB 3.01Å; L313-S317 PolarHBondContact O-N 3.17Å; S317-R319 VanDerWaalsContact C-N 3.25Å; S317-R319 PolarHBondContact O-N 3.08Å; S317-L320 PolarHBondContact O-N 3.05Å; S317-L321 WeakPolarHBondContact O-CB 3.36Å; S317-L321 VanDerWaalsContact O-CG 3.29Å; S317-L321 WeakPolarHBondContact O-CG 3.42Å; S317-L321 PolarHBondContact O-N 3.24Å
318K96.7Very high97.3Very high178 Ų17851.3 Ų51.377%0.77423%0.231SC*.Hα-helixtrans-62.2-26.2178.7-69.6-176.6178.5179.30114.5H316H316-K318 VanDerWaalsContact C-N 3.3Å; H316-K318 PolarHBondContact O-N 3.04Å; H316-K318 VanDerWaalsContact O-N 3.11Å
319R96.5Very high97.1Very high82 Ų8252.7 Ų52.731%0.30924%0.24SC..Hα-helixtrans-84.3-47.8176-170.1178.2-177.7-164.7-10.2110.4H316 S317 L321 R322 M323 F331 E335H316-R319 WeakPolarHBondContact O-CA 3.29Å; H316-R319 WeakPolarHBondContact O-CB 3.49Å; H316-R319 PolarHBondContact O-N 3.07Å; S317-R319 VanDerWaalsContact C-N 3.25Å; S317-R319 PolarHBondContact O-N 3.08Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.22Å; R319-R322 WeakPolarHBondContact O-CB 3.34Å; R319-R322 PolarHBondContact O-N 2.83Å; R319-M323 HydrophobicContact CG-CE 4.06Å; R319-M323 HydrophobicContact CG-SD 4Å; R319-M323 WeakPolarHBondContact O-CG 3.49Å; R319-F331 VanDerWaalsContact NH1-CD2 3.3Å; R319-F331 VanDerWaalsContact NH1-CE2 3.32Å; R319-E335 IonicContact CZ-OE1 3.23Å; R319-E335 IonicContact CZ-OE2 2.75Å; R319-E335 IonicContact NH1-OE1 2.66Å; R319-E335 IonicContact NH1-OE2 3.05Å; R319-E335 PolarHBondContact NH1-OE2 3.32Å; R319-E335 IonicContact NH2-OE1 2.77Å; R319-E335 PolarHBondContact NH2-OE1 2.75Å; R319-E335 IonicContact NH2-OE2 2.83Å; R319-E335 PolarHBondContact NH2-OE2 3.47Å
320L97.5Very high97Very high0 Ų055.3 Ų55.30%026%0.258CS..Hα-helixtrans-58.6-40.6-179.7-64170.9000112.7L258 H261 F262 L313 H316 S317 R322 M323 M328 F331 F332L258-L320 HydrophobicContact CD1-CB 3.74Å; L258-L320 HydrophobicContact CD1-CD1 4.3Å; L258-L320 HydrophobicContact CD2-CD1 4.08Å; H261-L320 PolarHBondContact CD2-O 2.98Å; H261-L320 PolarHBondContact NE2-O 3.24Å; H261-L320 VanDerWaalsContact NE2-O 3.16Å; F262-L320 HydrophobicContact CZ-CD1 4.43Å; L313-L320 HydrophobicContact CD2-CD1 3.8Å; H316-L320 HydrophobicContact CB-CD1 4.24Å; H316-L320 HydrophobicContact CB-CG 4.27Å; H316-L320 PolarHBondContact O-N 2.85Å; S317-L320 PolarHBondContact O-N 3.05Å; L320-R322 PolarHBondContact O-N 3.14Å; L320-M323 HydrophobicContact CD2-SD 4.34Å; L320-M323 PolarHBondContact O-N 2.74Å; L320-M328 HydrophobicContact CD2-CG 4.1Å; L320-F331 HydrophobicContact CD2-CD1 3.66Å; L320-F331 HydrophobicContact CD2-CE1 3.91Å; L320-F332 HydrophobicContact CD1-CE1 4.18Å; L320-F332 HydrophobicContact CD1-CZ 3.76Å; L320-F332 HydrophobicContact CD2-CE1 3.85Å; L320-F332 HydrophobicContact CD2-CE2 3.94Å; L320-F332 HydrophobicContact CD2-CZ 3.39Å; L320-F332 HydrophobicContact CG-CZ 4.23Å
321L97.8Very high96.9Very high61 Ų6154.8 Ų54.832%0.31926%0.256SS..THydrogen-bonded Turntrans-65.2-6.5176.5-69172.9000114.6I257 L258 H261 S317 R319I257-L321 HydrophobicContact CG2-CD1 4.04Å; I257-L321 HydrophobicContact CG2-CD2 3.96Å; L258-L321 HydrophobicContact CD1-CD2 3.89Å; L258-L321 HydrophobicContact CD1-CG 4.13Å; H261-L321 HydrophobicContact CB-CD2 3.65Å; S317-L321 WeakPolarHBondContact O-CB 3.36Å; S317-L321 VanDerWaalsContact O-CG 3.29Å; S317-L321 WeakPolarHBondContact O-CG 3.42Å; S317-L321 PolarHBondContact O-N 3.24Å; R319-L321 VanDerWaalsContact C-N 3.32Å; R319-L321 PolarHBondContact O-N 3.22Å
322R97Very high96.8Very high215 Ų21554.8 Ų54.881%0.81126%0.256SS*.THydrogen-bonded Turntrans-105-4.6174.6-60.2177.1177.8-173.7-3.7113.1R319 L320R319-R322 WeakPolarHBondContact O-CB 3.34Å; R319-R322 PolarHBondContact O-N 2.83Å; L320-R322 PolarHBondContact O-N 3.14Å
323M97.3Very high96.6Very high16 Ų1656.2 Ų56.28%0.07926%0.263CS..  trans-105.7146.5-171-71.7168.2140.300112.1H261 R319 L320 Q327 M328 F331H261-M323 PolarHBondContact CE1-O 3.1Å; H261-M323 PolarHBondContact NE2-O 3.08Å; R319-M323 HydrophobicContact CG-CE 4.06Å; R319-M323 HydrophobicContact CG-SD 4Å; R319-M323 WeakPolarHBondContact O-CG 3.49Å; L320-M323 HydrophobicContact CD2-SD 4.34Å; L320-M323 PolarHBondContact O-N 2.74Å; M323-Q327 HydrophobicContact CB-CB 3.82Å; M323-Q327 HydrophobicContact CG-CB 3.97Å; M323-M328 HydrophobicContact CB-CG 3.47Å; M323-M328 VanDerWaalsContact CB-CG 3.47Å; M323-M328 HydrophobicContact SD-CG 4.38Å; M323-F331 HydrophobicContact CE-CB 3.74Å; M323-F331 HydrophobicContact CE-CD2 4.33Å; M323-F331 HydrophobicContact CE-CG 4.06Å; M323-F331 HydrophobicContact SD-CB 4.18Å; M323-F331 HydrophobicContact SD-CG 4.34Å
324D95.9Very high96.3Very high54 Ų5457.7 Ų57.729%0.28927%0.271SS..  trans-80.5179.1165.867.948.5000112.3M326 Q327 M328D324-M326 VanDerWaalsContact C-N 3.31Å; D324-M326 PolarHBondContact O-N 3.03Å; D324-M326 WeakPolarHBondContact OD1-CA 3.46Å; D324-M326 WeakPolarHBondContact OD1-CB 3.49Å; D324-M326 PolarHBondContact OD1-N 3.08Å; D324-Q327 PolarHBondContact O-N 3.16Å; D324-Q327 PolarHBondContact OD1-N 3.28Å; D324-Q327 PolarHBondContact OD2-NE2 3.35Å; D324-M328 WeakPolarHBondContact O-CB 3.08Å; D324-M328 WeakPolarHBondContact O-CE 3.43Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.26Å; D324-M328 PolarHBondContact O-N 3.44Å
325Q95.2Very high96.1Very high84 Ų8457.6 Ų57.639%0.39327%0.271SS..Hα-helixtrans-57.2-40.4-179.1-166.9-170.646.200113.2H265 D266 M267 T329H265-Q325 HydrophobicContact CB-CB 4.41Å; H265-Q325 WeakPolarHBondContact O-CB 3.31Å; H265-Q325 WeakPolarHBondContact O-CG 3.44Å; H265-Q325 PolarHBondContact O-NE2 3.21Å; D266-Q325 PolarHBondContact O-NE2 3.18Å; M267-Q325 HydrophobicContact SD-CG 4.04Å; Q325-T329 WeakPolarHBondContact O-CB 3.42Å; Q325-T329 PolarHBondContact O-N 2.89Å; Q325-T329 PolarHBondContact O-OG1 2.84Å
326M95.2Very high95.9Very high144 Ų14455.7 Ų55.771%0.70926%0.262SS*.Hα-helixtrans-74.7-43.5-177.6176.6168.154.800110.6D324 T329 S330D324-M326 VanDerWaalsContact C-N 3.31Å; D324-M326 PolarHBondContact O-N 3.03Å; D324-M326 WeakPolarHBondContact OD1-CA 3.46Å; D324-M326 WeakPolarHBondContact OD1-CB 3.49Å; D324-M326 PolarHBondContact OD1-N 3.08Å; M326-T329 PolarHBondContact O-N 3.06Å; M326-S330 PolarHBondContact O-N 3.37Å
327Q96.9Very high95.7Very high93 Ų9357.6 Ų57.644%0.43527%0.274SS..Hα-helixtrans-63.5-43.6174.7-67.3176.4-0.400112.1M323 D324 T329 F331M323-Q327 HydrophobicContact CB-CB 3.82Å; M323-Q327 HydrophobicContact CG-CB 3.97Å; D324-Q327 PolarHBondContact O-N 3.16Å; D324-Q327 PolarHBondContact OD1-N 3.28Å; D324-Q327 PolarHBondContact OD2-NE2 3.35Å; Q327-T329 VanDerWaalsContact C-N 3.33Å; Q327-T329 PolarHBondContact O-N 3.49Å; Q327-F331 VanDerWaalsContact O-CB 3.28Å; Q327-F331 WeakPolarHBondContact O-CB 3.42Å; Q327-F331 PolarHBondContact O-N 3.01Å
328M96.8Very high95.3Very high0 Ų061.9 Ų61.90%029%0.289CS..Hα-helixtrans-63.1-39.9173.7-70.1-173.5-72.300111.5F262 H265 M267 L320 M323 D324 F331 F332F262-M328 HydrophobicContact CD1-CE 4.29Å; F262-M328 HydrophobicContact CD1-SD 3.79Å; F262-M328 HydrophobicContact CE1-SD 3.47Å; F262-M328 WeakPolarHBondContact CE1-SD 3.41Å; H265-M328 HydrophobicContact CB-CE 3.97Å; M267-M328 HydrophobicContact CB-CE 4.07Å; M267-M328 HydrophobicContact CE-CB 3.85Å; M267-M328 HydrophobicContact CG-CE 4.08Å; L320-M328 HydrophobicContact CD2-CG 4.1Å; M323-M328 HydrophobicContact CB-CG 3.47Å; M323-M328 VanDerWaalsContact CB-CG 3.47Å; M323-M328 HydrophobicContact SD-CG 4.38Å; D324-M328 WeakPolarHBondContact O-CB 3.08Å; D324-M328 WeakPolarHBondContact O-CE 3.43Å; D324-M328 VanDerWaalsContact O-CG 3.27Å; D324-M328 WeakPolarHBondContact O-CG 3.26Å; D324-M328 PolarHBondContact O-N 3.44Å; M328-F331 PolarHBondContact O-N 3.47Å; M328-F332 HydrophobicContact CB-CD2 4.45Å; M328-F332 HydrophobicContact CB-CE2 4.25Å; M328-F332 WeakPolarHBondContact O-CD2 3.49Å; M328-F332 WeakPolarHBondContact O-CG 2.96Å; M328-F332 PolarHBondContact O-N 2.82Å
329T95.2Very high94.9Very high30 Ų3056 Ų5618%0.18427%0.266CS..Hα-helixtrans-63.4-49.5177.4-60.20000111.5T271 Q325 M326 Q327 F331 F332 Q333T271-T329 HydrophobicContact CG2-CG2 4.2Å; Q325-T329 WeakPolarHBondContact O-CB 3.42Å; Q325-T329 PolarHBondContact O-N 2.89Å; Q325-T329 PolarHBondContact O-OG1 2.84Å; M326-T329 PolarHBondContact O-N 3.06Å; Q327-T329 VanDerWaalsContact C-N 3.33Å; Q327-T329 PolarHBondContact O-N 3.49Å; T329-F331 VanDerWaalsContact C-N 3.34Å; T329-F331 PolarHBondContact O-N 3.1Å; T329-F332 PolarHBondContact O-N 3.05Å; T329-Q333 HydrophobicContact CG2-CG 4.36Å; T329-Q333 WeakPolarHBondContact O-CB 3.33Å; T329-Q333 WeakPolarHBondContact O-CG 3.29Å; T329-Q333 PolarHBondContact O-N 3.25Å
330S95.8Very high94.7Very high55 Ų5552.2 Ų52.239%0.38525%0.252SS..Hα-helixtrans-61.7-41.6176.8-174.80000111.9M326 F332 Q333 D334 E335M326-S330 PolarHBondContact O-N 3.37Å; S330-F332 PolarHBondContact O-N 3.5Å; S330-Q333 PolarHBondContact O-N 3.21Å; S330-D334 PolarHBondContact O-N 2.82Å; S330-E335 PolarHBondContact O-N 3.31Å
331F96.6Very high94.5Very high0 Ų056.3 Ų56.30%027%0.274CS..Iπ-helixtrans-57.6-48.2175.2173.5-108.2000112.6H316 R319 L320 M323 Q327 M328 T329 Q333 E335 L336H316-F331 HydrophobicContact CB-CE1 3.95Å; H316-F331 HydrophobicContact CB-CZ 3.94Å; H316-F331 AromaticContact CD2-CZ 3.95Å; H316-F331 AromaticContact CG-CE1 3.99Å; H316-F331 AromaticContact CG-CZ 3.56Å; H316-F331 AromaticContact ND1-CZ 3.61Å; R319-F331 VanDerWaalsContact NH1-CD2 3.3Å; R319-F331 VanDerWaalsContact NH1-CE2 3.32Å; L320-F331 HydrophobicContact CD2-CD1 3.66Å; L320-F331 HydrophobicContact CD2-CE1 3.91Å; M323-F331 HydrophobicContact CE-CB 3.74Å; M323-F331 HydrophobicContact CE-CD2 4.33Å; M323-F331 HydrophobicContact CE-CG 4.06Å; M323-F331 HydrophobicContact SD-CB 4.18Å; M323-F331 HydrophobicContact SD-CG 4.34Å; Q327-F331 VanDerWaalsContact O-CB 3.28Å; Q327-F331 WeakPolarHBondContact O-CB 3.42Å; Q327-F331 PolarHBondContact O-N 3.01Å; M328-F331 PolarHBondContact O-N 3.47Å; T329-F331 VanDerWaalsContact C-N 3.34Å; T329-F331 PolarHBondContact O-N 3.1Å; F331-Q333 PolarHBondContact O-N 3Å; F331-E335 HydrophobicContact CD2-CB 3.85Å; F331-E335 HydrophobicContact CD2-CG 4.38Å; F331-E335 HydrophobicContact CE2-CB 4.43Å; F331-E335 PolarHBondContact O-N 2.93Å; F331-L336 HydrophobicContact CE1-CD1 4.14Å; F331-L336 HydrophobicContact CE1-CD2 4.08Å; F331-L336 HydrophobicContact CE1-CG 4Å; F331-L336 HydrophobicContact CE2-CD2 3.86Å; F331-L336 HydrophobicContact CE2-CG 4.05Å; F331-L336 HydrophobicContact CZ-CD1 4.3Å; F331-L336 HydrophobicContact CZ-CD2 3.41Å; F331-L336 VanDerWaalsContact CZ-CD2 3.41Å; F331-L336 HydrophobicContact CZ-CG 3.72Å; F331-L336 PolarHBondContact O-N 3.21Å; F331-L336 VanDerWaalsContact O-N 3.12Å
332F95.7Very high94.3Very high1 Ų157.5 Ų57.50%0.00428%0.277CS..Iπ-helixtrans-73-22.3179.6-68-49.2000114.6F262 M267 Y272 W276 I312 L313 L320 M328 T329 S330 L336F262-F332 HydrophobicContact CZ-CE2 4.24Å; F262-F332 HydrophobicContact CZ-CZ 4.14Å; M267-F332 HydrophobicContact CE-CD2 3.7Å; M267-F332 HydrophobicContact CE-CE2 3.91Å; Y272-F332 VanDerWaalsContact CB-CD2 3.44Å; Y272-F332 HydrophobicContact CD1-CE2 4.42Å; Y272-F332 HydrophobicContact CD2-CD2 4.33Å; Y272-F332 HydrophobicContact CD2-CE2 4.24Å; Y272-F332 AromaticContact CG-CD2 3.89Å; Y272-F332 HydrophobicContact CG-CD2 3.89Å; Y272-F332 HydrophobicContact CG-CE2 4.01Å; W276-F332 AromaticContact CH2-CD1 3.99Å; W276-F332 HydrophobicContact CH2-CD1 3.99Å; W276-F332 AromaticContact CH2-CE1 3.91Å; W276-F332 HydrophobicContact CH2-CE1 3.91Å; W276-F332 AromaticContact CZ2-CD1 3.65Å; W276-F332 HydrophobicContact CZ2-CD1 3.65Å; W276-F332 HydrophobicContact CZ2-CE1 4.06Å; W276-F332 HydrophobicContact CZ2-CG 4.23Å; I312-F332 HydrophobicContact CG2-CE1 4.17Å; L313-F332 HydrophobicContact CD2-CE1 3.91Å; L313-F332 HydrophobicContact CD2-CZ 3.54Å; L320-F332 HydrophobicContact CD1-CE1 4.18Å; L320-F332 HydrophobicContact CD1-CZ 3.76Å; L320-F332 HydrophobicContact CD2-CE1 3.85Å; L320-F332 HydrophobicContact CD2-CE2 3.94Å; L320-F332 HydrophobicContact CD2-CZ 3.39Å; L320-F332 HydrophobicContact CG-CZ 4.23Å; M328-F332 HydrophobicContact CB-CD2 4.45Å; M328-F332 HydrophobicContact CB-CE2 4.25Å; M328-F332 WeakPolarHBondContact O-CD2 3.49Å; M328-F332 WeakPolarHBondContact O-CG 2.96Å; M328-F332 PolarHBondContact O-N 2.82Å; T329-F332 PolarHBondContact O-N 3.05Å; S330-F332 PolarHBondContact O-N 3.5Å; F332-L336 HydrophobicContact CD1-CD1 3.85Å
333Q93Very high94Very high30 Ų3049.1 Ų49.114%0.1425%0.248CC..Iπ-helixtrans-102.9-30.2-175-65.7-169.317.600114.4T271 R284 T329 S330 F331T271-Q333 PolarHBondContact O-NE2 2.86Å; R284-Q333 PolarHBondContact NH1-O 2.94Å; R284-Q333 PolarHBondContact NH2-O 3.05Å; T329-Q333 HydrophobicContact CG2-CG 4.36Å; T329-Q333 WeakPolarHBondContact O-CB 3.33Å; T329-Q333 WeakPolarHBondContact O-CG 3.29Å; T329-Q333 PolarHBondContact O-N 3.25Å; S330-Q333 PolarHBondContact O-N 3.21Å; F331-Q333 PolarHBondContact O-N 3Å
334D92.1Very high93.8Very high30 Ų3048.7 Ų48.716%0.1625%0.246CC..Iπ-helixtrans-132.1-21.1-170-65.5-60.5000115.7S330 K338 G465S330-D334 PolarHBondContact O-N 2.82Å; D334-K338 VanDerWaalsContact O-CD 3.24Å; D334-K338 WeakPolarHBondContact O-CD 3.46Å; D334-K338 WeakPolarHBondContact O-CE 3.38Å; D334-K338 PolarHBondContact O-NZ 2.94Å; D334-G465 WeakPolarHBondContact OD1-CA 3.45Å; D334-G465 PolarHBondContact OD1-N 3.46Å; D334-G465 VanDerWaalsContact OD2-CA 3.28Å; D334-G465 WeakPolarHBondContact OD2-CA 3.44Å
335E94Very high93.7Very high63 Ų6347.8 Ų47.829%0.29424%0.241SC..Iπ-helixtrans-89.8-52.3177.2-65.1-168.1-118.900112.1R319 S330 F331 V337 K338 D339R319-E335 IonicContact CZ-OE1 3.23Å; R319-E335 IonicContact CZ-OE2 2.75Å; R319-E335 IonicContact NH1-OE1 2.66Å; R319-E335 IonicContact NH1-OE2 3.05Å; R319-E335 PolarHBondContact NH1-OE2 3.32Å; R319-E335 IonicContact NH2-OE1 2.77Å; R319-E335 PolarHBondContact NH2-OE1 2.75Å; R319-E335 IonicContact NH2-OE2 2.83Å; R319-E335 PolarHBondContact NH2-OE2 3.47Å; S330-E335 PolarHBondContact O-N 3.31Å; F331-E335 HydrophobicContact CD2-CB 3.85Å; F331-E335 HydrophobicContact CD2-CG 4.38Å; F331-E335 HydrophobicContact CE2-CB 4.43Å; F331-E335 PolarHBondContact O-N 2.93Å; E335-V337 PolarHBondContact O-N 2.85Å; E335-K338 WeakPolarHBondContact O-CB 3.44Å; E335-K338 PolarHBondContact O-N 2.91Å; E335-D339 PolarHBondContact O-N 3.39Å; E335-D339 VanDerWaalsContact O-N 3.08Å
336L94.2Very high93.7Very high0 Ų048.4 Ų48.40%025%0.247CC..THydrogen-bonded Turntrans-56-29.4-175.1-82.2-176.2000114.3L285 P286 I312 F331 F332 F340L285-L336 HydrophobicContact CD2-CB 4.47Å; P286-L336 VanDerWaalsContact CD-O 3.3Å; P286-L336 WeakPolarHBondContact CD-O 3.29Å; I312-L336 HydrophobicContact CG2-CD1 3.74Å; F331-L336 HydrophobicContact CE1-CD1 4.14Å; F331-L336 HydrophobicContact CE1-CD2 4.08Å; F331-L336 HydrophobicContact CE1-CG 4Å; F331-L336 HydrophobicContact CE2-CD2 3.86Å; F331-L336 HydrophobicContact CE2-CG 4.05Å; F331-L336 HydrophobicContact CZ-CD1 4.3Å; F331-L336 HydrophobicContact CZ-CD2 3.41Å; F331-L336 VanDerWaalsContact CZ-CD2 3.41Å; F331-L336 HydrophobicContact CZ-CG 3.72Å; F331-L336 PolarHBondContact O-N 3.21Å; F331-L336 VanDerWaalsContact O-N 3.12Å; F332-L336 HydrophobicContact CD1-CD1 3.85Å; L336-F340 HydrophobicContact CD2-CD2 3.86Å; L336-F340 HydrophobicContact CD2-CE2 3.98Å
337V92.3Very high93.8Very high47 Ų4741.5 Ų41.529%0.28521%0.213SC..THydrogen-bonded Turntrans-74.6-26.7177.965.50000113D283 E335D283-V337 WeakPolarHBondContact O-CG2 3.43Å; E335-V337 PolarHBondContact O-N 2.85Å
338K88.8Confident93.9Very high116 Ų11637.1 Ų37.150%0.50419%0.192SC..THydrogen-bonded Turntrans-85.1-43.1178.1-62.3169.8-173.6147.50111.4D334 E335D334-K338 VanDerWaalsContact O-CD 3.24Å; D334-K338 WeakPolarHBondContact O-CD 3.46Å; D334-K338 WeakPolarHBondContact O-CE 3.38Å; D334-K338 PolarHBondContact O-NZ 2.94Å; E335-K338 WeakPolarHBondContact O-CB 3.44Å; E335-K338 PolarHBondContact O-N 2.91Å
339D89.2Confident93.9Very high55 Ų5541.2 Ų41.229%0.29421%0.214SC..  trans-152116.1-175.3-168.7-1000110.4K55 E335 L341K55-D339 IonicContact NZ-OD1 3.19Å; K55-D339 PolarHBondContact NZ-OD1 3.37Å; K55-D339 IonicContact NZ-OD2 2.72Å; K55-D339 PolarHBondContact NZ-OD2 3.14Å; E335-D339 PolarHBondContact O-N 3.39Å; E335-D339 VanDerWaalsContact O-N 3.08Å; D339-L341 HydrophobicContact CB-CD2 4.39Å; D339-L341 PolarHBondContact O-N 3.07Å; D339-L341 PolarHBondContact OD1-N 3.02Å
340F92.9Very high94Very high3 Ų340.6 Ų40.61%0.01321%0.211CC..  trans-76.6-5175-160.4-97.2000112.6L285 P286 L289 M308 I312 M315 H316 L336 F342 V347L285-F340 HydrophobicContact CD2-CD2 3.58Å; L285-F340 HydrophobicContact CD2-CE2 3.53Å; P286-F340 HydrophobicContact CG-CB 4.19Å; L289-F340 HydrophobicContact CD2-CB 4.31Å; L289-F340 HydrophobicContact CD2-CD1 4.24Å; L289-F340 HydrophobicContact CD2-CD2 3.79Å; L289-F340 HydrophobicContact CD2-CE2 4.18Å; L289-F340 HydrophobicContact CD2-CG 3.82Å; M308-F340 HydrophobicContact CE-CE2 4.06Å; M308-F340 HydrophobicContact CE-CZ 3.89Å; I312-F340 HydrophobicContact CG1-CE2 4.01Å; I312-F340 HydrophobicContact CG1-CZ 4.09Å; M315-F340 HydrophobicContact CE-CE1 4.37Å; M315-F340 HydrophobicContact SD-CE1 4.04Å; H316-F340 PolarHBondContact CE1-O 3.36Å; H316-F340 VanDerWaalsContact CE1-O 3.24Å; H316-F340 AromaticContact NE2-CE1 3.73Å; H316-F340 AromaticContact NE2-CE2 3.75Å; H316-F340 AromaticContact NE2-CZ 3.51Å; L336-F340 HydrophobicContact CD2-CD2 3.86Å; L336-F340 HydrophobicContact CD2-CE2 3.98Å; F340-F342 HydrophobicContact CD1-CB 4.17Å; F340-F342 AromaticContact CD1-CD2 4Å; F340-F342 HydrophobicContact CD1-CD2 4Å; F340-F342 HydrophobicContact CE1-CD2 4.03Å; F340-F342 VanDerWaalsContact O-CD2 3.3Å; F340-F342 WeakPolarHBondContact O-CD2 3.4Å; F340-F342 PolarHBondContact O-N 3.2Å; F340-V347 HydrophobicContact CD1-CB 4.46Å; F340-V347 HydrophobicContact CD1-CG1 4.23Å; F340-V347 HydrophobicContact CD1-CG2 3.33Å; F340-V347 HydrophobicContact CE1-CB 4.25Å; F340-V347 HydrophobicContact CE1-CG1 3.69Å; F340-V347 HydrophobicContact CE1-CG2 3.45Å; F340-V347 VanDerWaalsContact CE1-CG2 3.45Å; F340-V347 HydrophobicContact CG-CG2 4.41Å; F340-V347 HydrophobicContact CZ-CG1 4.12Å
341L92.3Very high94.1Very high85 Ų8538 Ų3845%0.44519%0.193SC..SBendtrans64.1-4-178.1-48173.8000115.5D339D339-L341 HydrophobicContact CB-CD2 4.39Å; D339-L341 PolarHBondContact O-N 3.07Å; D339-L341 PolarHBondContact OD1-N 3.02Å
342F92.9Very high94.1Very high87 Ų8740.6 Ų40.638%0.38220%0.204SC..SBendtrans-132.7159.2175.2-54.6-83.9000109.8M315 H316 F340 V347M315-F342 HydrophobicContact CB-CD2 4.43Å; M315-F342 HydrophobicContact CB-CE2 3.87Å; M315-F342 HydrophobicContact CB-CZ 4.36Å; M315-F342 HydrophobicContact CE-CB 3.93Å; M315-F342 HydrophobicContact CE-CD1 4.01Å; M315-F342 HydrophobicContact CE-CD2 3.64Å; M315-F342 HydrophobicContact CE-CE1 4.42Å; M315-F342 HydrophobicContact CE-CE2 4.07Å; M315-F342 HydrophobicContact CE-CG 3.59Å; M315-F342 HydrophobicContact CE-CZ 4.44Å; H316-F342 AromaticContact CE1-CD2 3.92Å; H316-F342 AromaticContact CE1-CE2 3.57Å; H316-F342 AromaticContact ND1-CE2 3.92Å; F340-F342 HydrophobicContact CD1-CB 4.17Å; F340-F342 AromaticContact CD1-CD2 4Å; F340-F342 HydrophobicContact CD1-CD2 4Å; F340-F342 HydrophobicContact CE1-CD2 4.03Å; F340-F342 VanDerWaalsContact O-CD2 3.3Å; F340-F342 WeakPolarHBondContact O-CD2 3.4Å; F340-F342 PolarHBondContact O-N 3.2Å; F342-V347 HydrophobicContact CB-CG2 3.86Å
343D91.8Very high94.2Very high38 Ų3845.2 Ų45.220%0.20323%0.229CC..  trans-80.6137.7178.4-170.3-85.2000111.7K62 D345 D346 V347K62-D343 WeakPolarHBondContact CD-OD2 3.2Å; K62-D343 IonicContact NZ-OD1 3.61Å; K62-D343 PolarHBondContact NZ-OD1 3.45Å; K62-D343 IonicContact NZ-OD2 3.65Å; K62-D343 PolarHBondContact NZ-OD2 2.88Å; D343-D345 PolarHBondContact O-N 2.95Å; D343-D345 PolarHBondContact OD1-N 2.65Å; D343-D346 WeakPolarHBondContact O-CA 2.97Å; D343-D346 WeakPolarHBondContact O-CB 3.46Å; D343-D346 PolarHBondContact O-N 2.72Å; D343-V347 WeakPolarHBondContact O-CG2 3.36Å; D343-V347 PolarHBondContact O-N 2.89Å
344D93.3Very high94.4Very high7 Ų743.8 Ų43.84%0.03722%0.222CC..Hα-helixtrans-57-30-173.8-55.2-1.3000114.1Y63 T288 L289 V347 I348Y63-D344 HydrophobicContact CE1-CB 4.34Å; Y63-D344 WeakPolarHBondContact OH-CB 3.44Å; Y63-D344 PolarHBondContact OH-N 3.12Å; Y63-D344 PolarHBondContact OH-OD1 3Å; Y63-D344 PolarHBondContact OH-OD2 2.85Å; Y63-D344 VanDerWaalsContact OH-OD2 3.11Å; T288-D344 WeakPolarHBondContact CB-OD2 3.27Å; T288-D344 PolarHBondContact OG1-OD2 3.45Å; L289-D344 VanDerWaalsContact CA-OD2 3.31Å; L289-D344 WeakPolarHBondContact CA-OD2 3.29Å; L289-D344 HydrophobicContact CD1-CB 4.09Å; L289-D344 PolarHBondContact N-OD2 3.39Å; D344-V347 PolarHBondContact O-N 3.28Å; D344-I348 VanDerWaalsContact O-CB 3.26Å; D344-I348 WeakPolarHBondContact O-CB 3.28Å; D344-I348 WeakPolarHBondContact O-CG1 3.41Å; D344-I348 PolarHBondContact O-N 3.48Å
345D93.6Very high94.6Very high35 Ų3543.4 Ų43.419%0.18722%0.22CC..Hα-helixtrans-68.1-35.7175.2-80.1-30.5000111.3N66 R70 R292 D343 D349N66-D345 PolarHBondContact ND2-OD2 2.99Å; R70-D345 IonicContact NH2-OD1 3.84Å; R70-D345 PolarHBondContact NH2-OD1 3.43Å; R70-D345 IonicContact NH2-OD2 3.83Å; R70-D345 PolarHBondContact NH2-OD2 3.08Å; R292-D345 IonicContact CZ-OD1 3.46Å; R292-D345 IonicContact NH1-OD1 3.52Å; R292-D345 PolarHBondContact NH1-OD1 3.42Å; R292-D345 IonicContact NH2-OD1 3.62Å; R292-D345 PolarHBondContact NH2-OD1 2.78Å; D343-D345 PolarHBondContact O-N 2.95Å; D343-D345 PolarHBondContact OD1-N 2.65Å; D345-D349 WeakPolarHBondContact O-CB 3.45Å; D345-D349 PolarHBondContact O-N 3.08Å
346D95.8Very high94.7Very high97 Ų9745.4 Ų45.452%0.51923%0.23SC..Hα-helixtrans-69.6-40.1172.8-59.8-33.9000111.8D343 I348 D349 S350D343-D346 WeakPolarHBondContact O-CA 2.97Å; D343-D346 WeakPolarHBondContact O-CB 3.46Å; D343-D346 PolarHBondContact O-N 2.72Å; D346-I348 VanDerWaalsContact C-N 3.34Å; D346-I348 PolarHBondContact O-N 2.71Å; D346-D349 PolarHBondContact O-N 3.14Å; D346-S350 PolarHBondContact O-N 3.16Å
347V97.5Very high94.9Very high0 Ų048.4 Ų48.40%025%0.245CC..Hα-helixtrans-62.2-43.8177.1-177.40000110.7L289 M308 N311 M315 F340 F342 D343 D344 S350 L351L289-V347 HydrophobicContact CD1-CB 4.11Å; L289-V347 HydrophobicContact CD1-CG1 3.85Å; L289-V347 HydrophobicContact CD2-CG1 4.09Å; M308-V347 HydrophobicContact CE-CG1 3.76Å; M308-V347 HydrophobicContact SD-CG1 4.36Å; N311-V347 PolarHBondContact ND2-O 2.83Å; N311-V347 VanDerWaalsContact ND2-O 3.15Å; M315-V347 HydrophobicContact CE-CG2 4.13Å; M315-V347 HydrophobicContact SD-CG1 4.26Å; F340-V347 HydrophobicContact CD1-CB 4.46Å; F340-V347 HydrophobicContact CD1-CG1 4.23Å; F340-V347 HydrophobicContact CD1-CG2 3.33Å; F340-V347 HydrophobicContact CE1-CB 4.25Å; F340-V347 HydrophobicContact CE1-CG1 3.69Å; F340-V347 HydrophobicContact CE1-CG2 3.45Å; F340-V347 VanDerWaalsContact CE1-CG2 3.45Å; F340-V347 HydrophobicContact CG-CG2 4.41Å; F340-V347 HydrophobicContact CZ-CG1 4.12Å; F342-V347 HydrophobicContact CB-CG2 3.86Å; D343-V347 WeakPolarHBondContact O-CG2 3.36Å; D343-V347 PolarHBondContact O-N 2.89Å; D344-V347 PolarHBondContact O-N 3.28Å; V347-S350 PolarHBondContact O-N 2.97Å; V347-L351 VanDerWaalsContact O-CB 3.29Å; V347-L351 WeakPolarHBondContact O-CB 3.29Å; V347-L351 PolarHBondContact O-N 2.82Å
348I97.5Very high95.1Very high0 Ų046.2 Ų46.20%023%0.232CC..Hα-helixtrans-74.2-25.8179.8-64.9-67.3000112F106 L289 R292 L293 I296 D344 D346 L351 K352F106-I348 HydrophobicContact CD1-CG2 4.26Å; F106-I348 VanDerWaalsContact O-CG2 3.31Å; F106-I348 WeakPolarHBondContact O-CG2 3.45Å; L289-I348 HydrophobicContact CD1-CD1 4.15Å; L289-I348 HydrophobicContact CD1-CG1 4.27Å; R292-I348 HydrophobicContact CB-CD1 4.18Å; R292-I348 HydrophobicContact CB-CG1 4.28Å; L293-I348 HydrophobicContact CD2-CD1 3.96Å; L293-I348 HydrophobicContact CG-CD1 4.43Å; I296-I348 HydrophobicContact CD1-CD1 3.81Å; I296-I348 HydrophobicContact CD1-CG2 3.87Å; D344-I348 VanDerWaalsContact O-CB 3.26Å; D344-I348 WeakPolarHBondContact O-CB 3.28Å; D344-I348 WeakPolarHBondContact O-CG1 3.41Å; D344-I348 PolarHBondContact O-N 3.48Å; D346-I348 VanDerWaalsContact C-N 3.34Å; D346-I348 PolarHBondContact O-N 2.71Å; I348-L351 HydrophobicContact CD1-CD2 3.92Å; I348-K352 WeakPolarHBondContact O-CE 3.36Å; I348-K352 WeakPolarHBondContact O-CG 3.5Å; I348-K352 PolarHBondContact O-N 3.05Å
349D97.2Very high95.4Very high86 Ų8646.6 Ų46.646%0.4624%0.235SC..Hα-helixtrans-72.5-48.4168.8-80.9-4.3000111.3D345 D346 L351 K352 D353D345-D349 WeakPolarHBondContact O-CB 3.45Å; D345-D349 PolarHBondContact O-N 3.08Å; D346-D349 PolarHBondContact O-N 3.14Å; D349-L351 PolarHBondContact O-N 2.96Å; D349-K352 WeakPolarHBondContact O-CB 3.31Å; D349-K352 PolarHBondContact O-N 3.47Å; D349-K352 IonicContact OD1-NZ 2.86Å; D349-K352 PolarHBondContact OD1-NZ 2.77Å; D349-D353 PolarHBondContact O-N 3.23Å
350S97.8Very high95.8Very high17 Ų1750.9 Ų50.912%0.11925%0.251CS..Hα-helixtrans-58.2-31.3172.4178.50000112.9N311 K314 D346 V347 D353 C354N311-S350 WeakPolarHBondContact OD1-CB 3.42Å; N311-S350 PolarHBondContact OD1-OG 3.04Å; K314-S350 PolarHBondContact NZ-O 3.4Å; K314-S350 PolarHBondContact NZ-OG 3.05Å; D346-S350 PolarHBondContact O-N 3.16Å; V347-S350 PolarHBondContact O-N 2.97Å; S350-D353 PolarHBondContact O-N 2.85Å; S350-C354 PolarHBondContact O-N 3Å; S350-C354 PolarHBondContact O-SG 2.97Å
351L98.1Very high95.9Very high0 Ų052.8 Ų52.80%026%0.262CS..Hα-helixtrans-67.6-31.7175.7-175.556.8000113.2L293 L304 A307 M308 N311 V347 I348 D349 C354 L355L293-L351 HydrophobicContact CD2-CD2 3.43Å; L293-L351 VanDerWaalsContact CD2-CD2 3.43Å; L304-L351 HydrophobicContact CD1-CD1 4.3Å; L304-L351 HydrophobicContact CD1-CD2 3.81Å; L304-L351 HydrophobicContact CD1-CG 4.17Å; A307-L351 HydrophobicContact CB-CD1 3.93Å; M308-L351 HydrophobicContact CB-CD1 3.96Å; M308-L351 HydrophobicContact SD-CD1 4.11Å; M308-L351 HydrophobicContact SD-CD2 4.17Å; N311-L351 HydrophobicContact CB-CD1 4.15Å; V347-L351 VanDerWaalsContact O-CB 3.29Å; V347-L351 WeakPolarHBondContact O-CB 3.29Å; V347-L351 PolarHBondContact O-N 2.82Å; I348-L351 HydrophobicContact CD1-CD2 3.92Å; D349-L351 PolarHBondContact O-N 2.96Å; L351-C354 PolarHBondContact O-N 3.07Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 2.98Å
352K96.9Very high96Very high55 Ų5557.1 Ų57.124%0.23928%0.277CS..Hα-helixtrans-67-46.6173-66.9158-165.81600110.5F106 I348 D349 C354 L355 E356F106-K352 HydrophobicContact CD1-CD 4.16Å; F106-K352 HydrophobicContact CD1-CG 3.72Å; F106-K352 HydrophobicContact CE1-CG 3.74Å; I348-K352 WeakPolarHBondContact O-CE 3.36Å; I348-K352 WeakPolarHBondContact O-CG 3.5Å; I348-K352 PolarHBondContact O-N 3.05Å; D349-K352 WeakPolarHBondContact O-CB 3.31Å; D349-K352 PolarHBondContact O-N 3.47Å; D349-K352 IonicContact OD1-NZ 2.86Å; D349-K352 PolarHBondContact OD1-NZ 2.77Å; K352-C354 PolarHBondContact O-N 2.96Å; K352-L355 PolarHBondContact O-N 3.41Å; K352-L355 VanDerWaalsContact O-N 3.17Å; K352-E356 PolarHBondContact O-N 2.99Å
353D97.2Very high96.1Very high99 Ų9953 Ų5353%0.52926%0.259SS..Hα-helixtrans-57.4-40.3174.4-64.3-15.8000111D349 S350 L357D349-D353 PolarHBondContact O-N 3.23Å; S350-D353 PolarHBondContact O-N 2.85Å; D353-L357 WeakPolarHBondContact O-CB 3.45Å; D353-L357 PolarHBondContact O-N 3.08Å
354C97.6Very high96.1Very high0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-64.9-44.8176-73.20000112.9Y310 N311 K314 S350 L351 K352 L357 L358Y310-C354 HydrophobicContact CD1-CB 3.84Å; Y310-C354 VanDerWaalsContact CD1-SG 3.54Å; Y310-C354 HydrophobicContact CE1-CB 4.11Å; Y310-C354 WeakPolarHBondContact CE1-SG 3.33Å; N311-C354 HydrophobicContact CB-CB 4.47Å; N311-C354 PolarHBondContact OD1-SG 2.88Å; K314-C354 WeakPolarHBondContact CD-SG 3.39Å; K314-C354 PolarHBondContact NZ-SG 3Å; K314-C354 VanDerWaalsContact NZ-SG 3.43Å; S350-C354 PolarHBondContact O-N 3Å; S350-C354 PolarHBondContact O-SG 2.97Å; L351-C354 PolarHBondContact O-N 3.07Å; K352-C354 PolarHBondContact O-N 2.96Å; C354-L357 PolarHBondContact O-N 3.22Å; C354-L358 WeakPolarHBondContact O-CB 3.46Å; C354-L358 VanDerWaalsContact O-CG 3.26Å; C354-L358 WeakPolarHBondContact O-CG 3.46Å; C354-L358 PolarHBondContact O-N 2.93Å
355L96.5Very high96Very high21 Ų2155.7 Ų55.711%0.1128%0.276CS..Hα-helixtrans-60-47174.4-77.4162.9000111.3F106 K303 L304 A307 L351 K352 H359F106-L355 HydrophobicContact CE1-CD1 3.93Å; F106-L355 HydrophobicContact CZ-CD1 3.76Å; K303-L355 HydrophobicContact CG-CD2 4.36Å; L304-L355 HydrophobicContact CD1-CD1 4.09Å; A307-L355 HydrophobicContact CB-CD2 3.5Å; A307-L355 VanDerWaalsContact CB-CD2 3.5Å; A307-L355 HydrophobicContact CB-CG 3.71Å; L351-L355 WeakPolarHBondContact O-CG 3.29Å; L351-L355 PolarHBondContact O-N 2.98Å; K352-L355 PolarHBondContact O-N 3.41Å; K352-L355 VanDerWaalsContact O-N 3.17Å; L355-H359 WeakPolarHBondContact O-CB 3.46Å; L355-H359 PolarHBondContact O-N 3.03Å
356E96.2Very high95.9Very high106 Ų10654.4 Ų54.450%0.49527%0.27SS..Hα-helixtrans-63.6-42.6176.1-78.1-162-157.600112.7K352 H359 K360K352-E356 PolarHBondContact O-N 2.99Å; E356-H359 PolarHBondContact O-N 2.82Å; E356-K360 WeakPolarHBondContact O-CB 3.05Å; E356-K360 WeakPolarHBondContact O-CD 3.22Å; E356-K360 WeakPolarHBondContact O-CG 3.49Å; E356-K360 PolarHBondContact O-N 3.31Å; E356-K360 WeakPolarHBondContact OE2-CE 3.44Å; E356-K360 IonicContact OE2-NZ 3.58Å; E356-K360 PolarHBondContact OE2-NZ 2.82Å
357L96.9Very high95.6Very high63 Ų6353.2 Ų53.233%0.3327%0.267SS..Hα-helixtrans-65.4-41.7-179.3179.563.8000111.7L254 Y310 D353 C354 N361L254-L357 HydrophobicContact CD1-CD2 4.37Å; L254-L357 HydrophobicContact CD1-CG 4.45Å; Y310-L357 HydrophobicContact CE1-CD2 4.14Å; Y310-L357 WeakPolarHBondContact OH-CD2 3.27Å; D353-L357 WeakPolarHBondContact O-CB 3.45Å; D353-L357 PolarHBondContact O-N 3.08Å; C354-L357 PolarHBondContact O-N 3.22Å; L357-N361 WeakPolarHBondContact O-CB 3.44Å; L357-N361 PolarHBondContact O-N 3.5Å; L357-N361 VanDerWaalsContact O-N 3.11Å; L357-N361 PolarHBondContact O-ND2 2.92Å
358L97.3Very high95.2Very high0 Ų059 Ų590%030%0.304CS..Hα-helixtrans-65.3-42175.2-71.9170.6000111.2I250 L254 A307 Y310 C354 N361 K362 L363 D364I250-L358 HydrophobicContact CD1-CD2 3.97Å; I250-L358 HydrophobicContact CG1-CD2 3.92Å; I250-L358 HydrophobicContact CG2-CD2 3.78Å; L254-L358 HydrophobicContact CD1-CD2 3.79Å; A307-L358 HydrophobicContact CB-CD1 3.86Å; Y310-L358 HydrophobicContact CD1-CD1 4.48Å; C354-L358 WeakPolarHBondContact O-CB 3.46Å; C354-L358 VanDerWaalsContact O-CG 3.26Å; C354-L358 WeakPolarHBondContact O-CG 3.46Å; C354-L358 PolarHBondContact O-N 2.93Å; L358-N361 CarbonylContact O-C 3.48Å; L358-N361 PolarHBondContact O-N 3.15Å; L358-N361 VanDerWaalsContact O-N 3.12Å; L358-K362 PolarHBondContact O-N 3.48Å; L358-K362 VanDerWaalsContact O-N 3.08Å; L358-L363 HydrophobicContact CB-CB 4.39Å; L358-L363 HydrophobicContact CD2-CB 3.68Å; L358-L363 HydrophobicContact CD2-CD1 4.24Å; L358-L363 PolarHBondContact O-N 2.76Å; L358-D364 HydrophobicContact CB-CB 4.02Å; L358-D364 PolarHBondContact O-N 3.09Å
359H95.8Very high94.7Very high125 Ų12560.3 Ų60.358%0.57931%0.312SS*.Hα-helixtrans-62.5-49.3176-171.769.8000112.2L355 E356 N361 K362 D364L355-H359 WeakPolarHBondContact O-CB 3.46Å; L355-H359 PolarHBondContact O-N 3.03Å; E356-H359 PolarHBondContact O-N 2.82Å; H359-N361 PolarHBondContact O-N 2.9Å; H359-N361 VanDerWaalsContact O-N 3.08Å; H359-K362 PolarHBondContact O-N 2.9Å; H359-D364 WeakPolarHBondContact CA-OD1 3.38Å; H359-D364 HydrophobicContact CB-CB 4.26Å; H359-D364 IonicContact CE1-OD2 2.63Å; H359-D364 IonicContact CG-OD2 3.94Å; H359-D364 IonicContact ND1-OD1 2.87Å; H359-D364 IonicContact ND1-OD2 3.26Å; H359-D364 PolarHBondContact ND1-OD2 3.23Å
360K96.2Very high94.2Very high145 Ų14558.4 Ų58.463%0.6331%0.308SS*.Hα-helixtrans-56.6-25.5173.5-70.1161.9-168.6168.80112.5E356E356-K360 WeakPolarHBondContact O-CB 3.05Å; E356-K360 WeakPolarHBondContact O-CD 3.22Å; E356-K360 WeakPolarHBondContact O-CG 3.49Å; E356-K360 PolarHBondContact O-N 3.31Å; E356-K360 WeakPolarHBondContact OE2-CE 3.44Å; E356-K360 IonicContact OE2-NZ 3.58Å; E356-K360 PolarHBondContact OE2-NZ 2.82Å
361N95.6Very high93.5Very high43 Ų4362.1 Ų62.123%0.2333%0.334CS..THydrogen-bonded Turntrans-96.3-2.3178.9-87.1-81.9000115.8K253 L357 L358 H359 L363K253-N361 WeakPolarHBondContact CE-OD1 3.46Å; K253-N361 PolarHBondContact NZ-O 3.33Å; K253-N361 PolarHBondContact NZ-OD1 3.39Å; L357-N361 WeakPolarHBondContact O-CB 3.44Å; L357-N361 PolarHBondContact O-N 3.5Å; L357-N361 VanDerWaalsContact O-N 3.11Å; L357-N361 PolarHBondContact O-ND2 2.92Å; L358-N361 CarbonylContact O-C 3.48Å; L358-N361 PolarHBondContact O-N 3.15Å; L358-N361 VanDerWaalsContact O-N 3.12Å; H359-N361 PolarHBondContact O-N 2.9Å; H359-N361 VanDerWaalsContact O-N 3.08Å; N361-L363 HydrophobicContact CB-CB 4.44Å; N361-L363 HydrophobicContact CB-CD1 3.93Å; N361-L363 HydrophobicContact CB-CG 4.04Å
362K94.9Very high92.8Very high175 Ų17567 Ų6776%0.76136%0.36SS*.THydrogen-bonded Turntrans53.652.7-169.4-55.5-177.7-178-178.50111.9L358 H359L358-K362 PolarHBondContact O-N 3.48Å; L358-K362 VanDerWaalsContact O-N 3.08Å; H359-K362 PolarHBondContact O-N 2.9Å
363L95.3Very high92.1Very high2 Ų266.4 Ų66.41%0.0136%0.358CS..  trans-133.5-2.7180-67.7178.4000113.3H246 R249 I250 K253 L254 L358 N361H246-L363 PolarHBondContact NE2-O 2.77Å; R249-L363 HydrophobicContact CG-CD2 4.14Å; I250-L363 HydrophobicContact CG1-CB 4.12Å; I250-L363 HydrophobicContact CG1-CD1 4.21Å; I250-L363 HydrophobicContact CG1-CD2 4.47Å; K253-L363 HydrophobicContact CD-CD1 4.11Å; L254-L363 HydrophobicContact CD1-CD1 4.14Å; L254-L363 HydrophobicContact CG-CD1 4.24Å; L358-L363 HydrophobicContact CB-CB 4.39Å; L358-L363 HydrophobicContact CD2-CB 3.68Å; L358-L363 HydrophobicContact CD2-CD1 4.24Å; L358-L363 PolarHBondContact O-N 2.76Å; N361-L363 HydrophobicContact CB-CB 4.44Å; N361-L363 HydrophobicContact CB-CD1 3.93Å; N361-L363 HydrophobicContact CB-CG 4.04Å
364D91.9Very high91.6Very high22 Ų2265.3 Ų65.312%0.11835%0.352CS..SBendtrans-68.9-34.1179.855.7-41.9000112.8K303 L306 L358 H359K303-D364 WeakPolarHBondContact CA-O 3.1Å; K303-D364 WeakPolarHBondContact CB-O 3.47Å; L306-D364 WeakPolarHBondContact CD1-O 3.16Å; L358-D364 HydrophobicContact CB-CB 4.02Å; L358-D364 PolarHBondContact O-N 3.09Å; H359-D364 WeakPolarHBondContact CA-OD1 3.38Å; H359-D364 HydrophobicContact CB-CB 4.26Å; H359-D364 IonicContact CE1-OD2 2.63Å; H359-D364 IonicContact CG-OD2 3.94Å; H359-D364 IonicContact ND1-OD1 2.87Å; H359-D364 IonicContact ND1-OD2 3.26Å; H359-D364 PolarHBondContact ND1-OD2 3.23Å
365T91Very high91Very high79 Ų7967.1 Ų67.149%0.48536%0.364SS..SBendtrans-101.4137.1171.450.80000111.5H246H246-T365 PolarHBondContact CE1-O 2.69Å; H246-T365 PolarHBondContact NE2-O 3.17Å
366P91.4Very high90.4Very high8 Ų871.6 Ų71.65%0.05238%0.383CS..PPolyproline II helixtrans-69167.4161.66.97.5000110.6R242 L243 H246 E302 L306R242-P366 HydrophobicContact CG-CB 4.31Å; L243-P366 HydrophobicContact CD2-CG 3.99Å; H246-P366 HydrophobicContact CB-CB 4.17Å; E302-P366 VanDerWaalsContact OE1-CD 3.24Å; E302-P366 WeakPolarHBondContact OE1-CD 3.24Å; E302-P366 WeakPolarHBondContact OE1-CG 3.42Å; L306-P366 HydrophobicContact CD1-CG 3.83Å
367P89.9Confident89.5Confident71 Ų7170.9 Ų70.946%0.46138%0.375SS..PPolyproline II helixtrans-52.3151.6170.3-24.434.4000111.9R242R242-P367 VanDerWaalsContact CZ-O 3.24Å; R242-P367 PolarHBondContact NE-O 3.32Å; R242-P367 PolarHBondContact NH2-O 2.83Å
368P87.8Confident88.9Confident121 Ų12170.6 Ų70.679%0.78637%0.374SS*.PPolyproline II helixtrans-53.7150.1174.3-25.935.3000112.4
369L87.3Confident87.9Confident29 Ų2971.3 Ų71.315%0.15238%0.381CS..PPolyproline II helixtrans-67.6142.3165.9-72.7176.8000109.6N228 M373 L374N228-L369 HydrophobicContact CB-CD1 3.9Å; L369-M373 HydrophobicContact CB-CB 4.37Å; L369-M373 HydrophobicContact CD2-CB 4.02Å; L369-M373 HydrophobicContact CD2-SD 3.85Å; L369-L374 HydrophobicContact CB-CD2 4.06Å; L369-L374 HydrophobicContact CD1-CD2 3.89Å
370A86.6Confident86.8Confident46 Ų4669.4 Ų69.438%0.3837%0.373SS..PPolyproline II helixtrans-76.1156.2167.700000110.2D372 M373A370-D372 WeakPolarHBondContact CB-OD1 3.33Å; A370-D372 PolarHBondContact O-N 3.11Å; A370-D372 VanDerWaalsContact O-N 3.14Å; A370-M373 HydrophobicContact CB-CE 4.26Å; A370-M373 HydrophobicContact CB-SD 4.47Å; A370-M373 WeakPolarHBondContact O-CB 3.38Å; A370-M373 PolarHBondContact O-N 2.98Å
371S83.1Confident85.1Confident95 Ų9567.3 Ų67.366%0.66436%0.364SS*.THydrogen-bonded Turntrans-69.2-9.5-172.855.10000114.2K376S371-K376 WeakPolarHBondContact O-CE 3.47Å; S371-K376 PolarHBondContact O-NZ 3.02Å
372D82.9Confident83Confident101 Ų10173 Ų7354%0.5439%0.394SS..THydrogen-bonded Turntrans-75.3-27.9167.265.3-46.6000113.5A370A370-D372 WeakPolarHBondContact CB-OD1 3.33Å; A370-D372 PolarHBondContact O-N 3.11Å; A370-D372 VanDerWaalsContact O-N 3.14Å
373M83.7Confident80.7Confident43 Ų4365.7 Ų65.721%0.21237%0.365CS..SBendtrans-920.5-176-50.9176.7-174.400114.2P238 L369 A370P238-M373 HydrophobicContact CB-CE 3.96Å; P238-M373 HydrophobicContact CB-CG 4.15Å; P238-M373 HydrophobicContact CB-SD 3.94Å; P238-M373 HydrophobicContact CG-CG 4.19Å; L369-M373 HydrophobicContact CB-CB 4.37Å; L369-M373 HydrophobicContact CD2-CB 4.02Å; L369-M373 HydrophobicContact CD2-SD 3.85Å; A370-M373 HydrophobicContact CB-CE 4.26Å; A370-M373 HydrophobicContact CB-SD 4.47Å; A370-M373 WeakPolarHBondContact O-CB 3.38Å; A370-M373 PolarHBondContact O-N 2.98Å
374L85.8Confident78.5Confident77 Ų7770.6 Ų70.640%0.40339%0.391SS..SBendtrans-90.7150.2177.1-62178.6000110.9L369 K376L369-L374 HydrophobicContact CB-CD2 4.06Å; L369-L374 HydrophobicContact CD1-CD2 3.89Å; L374-K376 PolarHBondContact O-N 3.37Å
375P85.7Confident76.5Confident38 Ų3872.1 Ų72.125%0.24740%0.402CS..  trans-62.7133.5178.5-10.620.5000112.7T223 H230 L378T223-P375 HydrophobicContact CG2-CB 4.28Å; T223-P375 HydrophobicContact CG2-CG 3.93Å; H230-P375 HydrophobicContact CB-CG 3.97Å; H230-P375 VanDerWaalsContact CE1-CA 3.48Å; H230-P375 WeakPolarHBondContact CE1-CA 3.47Å; H230-P375 WeakPolarHBondContact NE2-CA 3.23Å; P375-L378 HydrophobicContact CB-CD1 4Å; P375-L378 HydrophobicContact CB-CD2 4.08Å; P375-L378 HydrophobicContact CB-CG 4.05Å
376K83.8Confident74.5Confident115 Ų11572.2 Ų72.250%0.540%0.403SS..  trans-125.5-34.2177.6-58.9160.8-173.4175.50112.7E190 S371 L374 L378 Q380E190-K376 PolarHBondContact OE2-N 3.46Å; S371-K376 WeakPolarHBondContact O-CE 3.47Å; S371-K376 PolarHBondContact O-NZ 3.02Å; L374-K376 PolarHBondContact O-N 3.37Å; K376-L378 PolarHBondContact O-N 2.87Å; K376-Q380 PolarHBondContact O-NE2 3.49Å
377R77.2Confident72.2Confident91 Ų9179.2 Ų79.234%0.34343%0.428SS..  trans-10370.9-177.9-60-173.5177.9-151-6.7111.7S189 E190 D384S189-R377 PolarHBondContact N-O 2.93Å; E190-R377 HydrophobicContact CG-CB 3.95Å; E190-R377 HydrophobicContact CG-CG 3.99Å; E190-R377 PolarHBondContact OE2-N 3.22Å; R377-D384 PolarHBondContact NH1-O 2.89Å
378L84.4Confident69.6Low56 Ų5683.3 Ų83.329%0.29344%0.435SS..BIsolated β-bridgetrans-101.6126.7173.6-59.2-177.5000110.6Y187 N188 T223 P375 K376 Q380Y187-L378 HydrophobicContact CD1-CD2 4.43Å; Y187-L378 HydrophobicContact CE1-CB 4.23Å; Y187-L378 HydrophobicContact CE1-CD2 3.96Å; Y187-L378 CarbonylContact O-C 3.53Å; Y187-L378 VanDerWaalsContact O-CA 3.29Å; Y187-L378 WeakPolarHBondContact O-CA 3.5Å; N188-L378 HydrophobicContact CB-CD2 3.93Å; T223-L378 HydrophobicContact CG2-CD1 3.77Å; T223-L378 HydrophobicContact CG2-CD2 4Å; P375-L378 HydrophobicContact CB-CD1 4Å; P375-L378 HydrophobicContact CB-CD2 4.08Å; P375-L378 HydrophobicContact CB-CG 4.05Å; K376-L378 PolarHBondContact O-N 2.87Å; L378-Q380 PolarHBondContact O-N 3.33Å
379G77Confident66.8Low16 Ų1684.2 Ų84.217%0.16543%0.433CS..SBendtrans6615.9175.400000115.9Y187 F381Y187-G379 PolarHBondContact O-N 3.43Å; G379-F381 PolarHBondContact O-N 2.92Å; G379-F381 VanDerWaalsContact O-N 3.11Å
380Q72.6Confident64.2Low85 Ų8594.7 Ų94.740%0.39747%0.47SS..  trans-79.894-174.5-69.1-175.62.900112.4K376 L378 N382 S383K376-Q380 PolarHBondContact O-NE2 3.49Å; L378-Q380 PolarHBondContact O-N 3.33Å; Q380-N382 PolarHBondContact O-N 3.5Å; Q380-S383 PolarHBondContact O-N 3.44Å; Q380-S383 PolarHBondContact O-OG 3.19Å
381F58.8Low61.4Low101 Ų10199 Ų9944%0.44349%0.487SS..THydrogen-bonded Turntrans-49.2135.9166.2-53.2-75.9000110.8I134 K137 M138 G379 S383I134-F381 HydrophobicContact CD1-CE2 4.43Å; I134-F381 HydrophobicContact CD1-CZ 4.04Å; K137-F381 HydrophobicContact CB-CE1 3.82Å; K137-F381 HydrophobicContact CB-CZ 4.26Å; K137-F381 HydrophobicContact CD-CE1 4.4Å; K137-F381 HydrophobicContact CD-CZ 4.13Å; M138-F381 HydrophobicContact CE-CD1 3.49Å; M138-F381 VanDerWaalsContact CE-CD1 3.49Å; M138-F381 HydrophobicContact CE-CE1 3.2Å; M138-F381 HydrophobicContact CE-CG 4.33Å; M138-F381 HydrophobicContact CE-CZ 3.85Å; G379-F381 PolarHBondContact O-N 2.92Å; G379-F381 VanDerWaalsContact O-N 3.11Å; F381-S383 VanDerWaalsContact C-N 3.28Å; F381-S383 PolarHBondContact O-N 2.66Å
382N51.9Low58.9Low161 Ų16197.9 Ų97.986%0.86149%0.491SS*.THydrogen-bonded Turntrans6415.7-179.4-51.5-21.6000116.7Q380Q380-N382 PolarHBondContact O-N 3.5Å
383S45.9Very low56.2Low22 Ų2298.5 Ų98.515%0.15450%0.498CS..PPolyproline II helixtrans-77.7121.1166.8640000111.3S189 Q380 F381S189-S383 PolarHBondContact OG-OG 2.66Å; Q380-S383 PolarHBondContact O-N 3.44Å; Q380-S383 PolarHBondContact O-OG 3.19Å; F381-S383 VanDerWaalsContact C-N 3.28Å; F381-S383 PolarHBondContact O-N 2.66Å
384D49.2Very low53.7Low105 Ų105103.8 Ų103.856%0.56153%0.527SS*.PPolyproline II helixtrans-59.6135165.3-99.9-46.5000109.1R377 V386 R388R377-D384 PolarHBondContact NH1-O 2.89Å; D384-V386 PolarHBondContact O-N 2.9Å; D384-R388 WeakPolarHBondContact OD1-CD 3.44Å; D384-R388 IonicContact OD1-CZ 2.71Å; D384-R388 IonicContact OD1-NE 3.71Å; D384-R388 PolarHBondContact OD1-NE 2.86Å
385P50.1Low50.9Low54 Ų54105.9 Ų105.935%0.35154%0.542SS..PPolyproline II helixtrans-62.8134.7176.826.2-33.3000109.4W387 R388P385-W387 PolarHBondContact O-N 3.3Å; P385-R388 HydrophobicContact CG-CG 4.18Å; P385-R388 PolarHBondContact O-N 3.31Å
386V49.3Very low48.3Very low81 Ų81109.7 Ų109.749%0.49157%0.567SS.*THydrogen-bonded Turntrans-56.9-24.8-170.4-177.90000112.7S189 E190 D384 R388S189-V386 PolarHBondContact O-N 3.15Å; E190-V386 HydrophobicContact CG-CG2 4.04Å; D384-V386 PolarHBondContact O-N 2.9Å; V386-R388 VanDerWaalsContact C-N 3.26Å; V386-R388 PolarHBondContact O-N 3.04Å
387W43Very low45.5Very low155 Ų155113.2 Ų113.259%0.58758%0.582SS**THydrogen-bonded Turntrans-67.8-12175.6-57.3101.1000115.4E190 A235 P385 N389E190-W387 PolarHBondContact O-NE1 3.02Å; A235-W387 VanDerWaalsContact CA-CH2 3.47Å; A235-W387 HydrophobicContact CB-CH2 3.44Å; A235-W387 VanDerWaalsContact CB-CH2 3.44Å; A235-W387 HydrophobicContact CB-CZ2 3.7Å; A235-W387 HydrophobicContact CB-CZ3 4Å; P385-W387 PolarHBondContact O-N 3.3Å; W387-N389 PolarHBondContact O-N 3.2Å
388R35.5Very low43.1Very low158 Ų158115 Ų11560%0.59660%0.603SS**SBendtrans-75.3103.3164.6-75.8178.1-172.5-1175.8109D384 P385 V386D384-R388 WeakPolarHBondContact OD1-CD 3.44Å; D384-R388 IonicContact OD1-CZ 2.71Å; D384-R388 IonicContact OD1-NE 3.71Å; D384-R388 PolarHBondContact OD1-NE 2.86Å; P385-R388 HydrophobicContact CG-CG 4.18Å; P385-R388 PolarHBondContact O-N 3.31Å; V386-R388 VanDerWaalsContact C-N 3.26Å; V386-R388 PolarHBondContact O-N 3.04Å
389N30.2Very low40.6Very low139 Ų139120.5 Ų120.574%0.74363%0.625SS**  trans-49.2141170.1-107-33.6000111.3W387 N391W387-N389 PolarHBondContact O-N 3.2Å; N389-N391 CarbonylContact O-C 3.13Å; N389-N391 PolarHBondContact O-N 3.29Å
390R31.2Very low38.3Very low249 Ų249128 Ų12894%0.9466%0.659SS**SBendtrans-59.6-10.6178.9-72.2-175.5176179.7-1.3114.4
391N28.9Very low36.4Very low136 Ų136127.6 Ų127.673%0.72768%0.678SS**SBendtrans-105.580.3172.9-58.43.5000108.4N389 T393N389-N391 CarbonylContact O-C 3.13Å; N389-N391 PolarHBondContact O-N 3.29Å; N391-T393 PolarHBondContact O-N 3.44Å
392G30Very low34.9Very low73 Ų73128.9 Ų128.975%0.75370%0.695SS**  trans-72.949.9-169.900000116.1L394G392-L394 VanDerWaalsContact C-N 3.31Å; G392-L394 PolarHBondContact O-N 2.86Å
393T26.7Very low34Very low113 Ų113129.4 Ų129.469%0.69370%0.696SS**  trans-79.366.7-170.3-44.80000113.8N391 V395N391-T393 PolarHBondContact O-N 3.44Å; T393-V395 HydrophobicContact CG2-CG2 3.88Å
394L30.4Very low33.4Very low155 Ų155138 Ų13881%0.81273%0.731SS**  trans-93.197.4153-80.5170.1000107.7G392 P396G392-L394 VanDerWaalsContact C-N 3.31Å; G392-L394 PolarHBondContact O-N 2.86Å; L394-P396 WeakPolarHBondContact O-CD 3.34Å
395V26.7Very low32.4Very low121 Ų121137.6 Ų137.673%0.73374%0.737SS**  trans-63.3113.7-169.8-179.40000112.3T393T393-V395 HydrophobicContact CG2-CG2 3.88Å
396P31.7Very low31.7Very low117 Ų117141.1 Ų141.176%0.7676%0.759SS**  trans-90134.5168.41.520.9000109.4L394L394-P396 WeakPolarHBondContact O-CD 3.34Å
397K25.1Very low30.8Very low189 Ų189143 Ų14382%0.82277%0.771SS**  trans-74.6156.4171.3-77.9-176.9175.3179.10111.1
398T26.1Very low30.5Very low128 Ų128144.5 Ų144.579%0.78579%0.785SS**  trans60.6121.4164.955.10000118.4
399K32.6Very low30.6Very low173 Ų173142.2 Ų142.275%0.75279%0.793SS**  -159.3151.991.4-100.7169.5-175177.30112.2
400I27.7Very low30.9Very low172 Ų172141.5 Ų141.588%0.88280%0.796SS**  trans-83.6139.7170.3-65.2163.8000107.4
401G32.9Very low31Very low77 Ų77134.9 Ų134.979%0.79479%0.785SS**  trans-167.598.6-179.700000112.6
402T27.7Very low31.3Very low129 Ų129137.4 Ų137.479%0.79179%0.792SS**  trans-81.4133.2-179.7-45.70000111.5
403L32.3Very low31.6Very low171 Ų171141.3 Ų141.390%0.89579%0.794SS**  trans-151.7165.1152.6-136.670.6000112.2
404K34.2Very low31.9Very low203 Ų203145.4 Ų145.488%0.88380%0.802SS**PPolyproline II helixtrans-84.2170.2-151.6-66.5176.1175.6178.20116
405S27.7Very low32.2Very low97 Ų97143.5 Ų143.568%0.67880%0.8SS**PPolyproline II helixtrans-86.4159.9-174.153.90000115.5
406P35.1Very low32.5Very low127 Ų127146.3 Ų146.383%0.82581%0.805SS**PPolyproline II helixtrans-81.3163.515236-32.6000111.6
407T31.8Very low32.4Very low122 Ų122146.8 Ų146.875%0.74880%0.8SS**  trans-137.8169.2-175.7-51.20000110.3
408E36.4Very low32.6Very low185 Ų185143.2 Ų143.286%0.86479%0.794SS**  trans79.8140.6175.9-52.8179.3-179.200116.4
409S36.5Very low32.8Very low110 Ų110143.4 Ų143.477%0.76979%0.791SS**  cis-155.1158.6-28.357.50000109.7
410P36.9Very low32.7Very low125 Ų125141.8 Ų141.881%0.81279%0.79SS**  trans-112.7160.6-164.640.2-33000115.9
411P34.6Very low32.8Very low110 Ų110138.8 Ų138.871%0.71479%0.785SS**  trans-121.6128.7156.335.5-24.1000113.4
412H34.2Very low32.7Very low188 Ų188140.1 Ų140.187%0.8778%0.782SS**  163.1136.2127-95.5-72.9000112.4
413I35.8Very low33Very low156 Ų156138.8 Ų138.880%0.878%0.777SS**  trans-124.9109.2169.3-68.7-179000110.4
414K32.9Very low33.2Very low198 Ų198138 Ų13886%0.86177%0.774SS**  trans59.5160.4147.5-69.5-172.5175-177.20121.7
415P37.1Very low33.1Very low116 Ų116131.9 Ų131.975%0.75377%0.768SS**  trans-123.7171.5-165.643.6-30.1000115.1
416Q33.8Very low33.5Very low179 Ų179136 Ų13684%0.83677%0.774SS**  trans-166.6164.8153.6-80.4-139.34600107.5
417L28.3Very low33.3Very low128 Ų128136.7 Ų136.767%0.6777%0.77SS**  cis-176.1146.4-41.3-127.6168.3000105.5
418T30.5Very low33.3Very low114 Ų114141 Ų14170%0.69977%0.773SS**  trans63.5157.9172.8720000117
419D28.8Very low33Very low132 Ų132136.2 Ų136.271%0.70677%0.765SS**  cis-161.8168-27.9-104.9-17.7000112.4
420N30.9Very low32.7Very low139 Ų139140.9 Ų140.974%0.74377%0.766SS**  trans66109149-71.5-35.3000123.4
421S29.9Very low32.4Very low109 Ų109142.4 Ų142.476%0.76276%0.76SS**  108148.3113.778.70000122.5
422S31.7Very low32.2Very low105 Ų105141.8 Ų141.873%0.73476%0.758SS**  trans54.8102.7161.1-71.40000120.6
423S33.3Very low32.2Very low100 Ų100138.4 Ų138.470%0.69975%0.753SS**  99.5152.287.785.20000112.2
424N36.1Very low32Very low155 Ų155136 Ų13683%0.82975%0.745SS**  cis-157.6136.912.1-127.5-32.1000112.1
425G33.1Very low32Very low74 Ų74137 Ų13776%0.76375%0.745SS**  trans77.7160.3151.400000120.6
426K35.9Very low31.7Very low183 Ų183138.8 Ų138.880%0.79675%0.748SS**  cis-162.2105.8-1.3-165.2171.3-174.5175.70114.9
427L30.8Very low31.7Very low142 Ų142135.5 Ų135.574%0.74374%0.742SS**  trans65.6154.4150-53.5176.1000118.4
428R31.5Very low31.8Very low214 Ų214138.1 Ų138.181%0.80875%0.748SS**  cis-153.3135.3-5.1-121.9171179.1-165.7-0.2108.5
429A30.6Very low31.6Very low84 Ų84138.4 Ų138.469%0.69475%0.749SS**  60.9136.3102.200000116
430R29.7Very low31.5Very low208 Ų208139.8 Ų139.879%0.78576%0.756SS**  cis-162.9174.86.8-111.6167.2174-175.9-1.6106.9
431F30.9Very low31.2Very low156 Ų156137.6 Ų137.668%0.68475%0.752SS**  cis-158.6172.94.5-126.3-31.9000109.4
432S29.6Very low31.2Very low97 Ų97138.7 Ų138.768%0.67875%0.754SS**  trans-141.3169.5165.4-470000108.6
433P35.6Very low31Very low117 Ų117139.5 Ų139.576%0.7675%0.754SS**  -141.4149.375.4204.7000114.9
434T31.7Very low31Very low105 Ų105140.4 Ų140.464%0.64476%0.757SS**  79.111765.7-47.60000115.1
435Y31.5Very low30.6Very low219 Ų219140.3 Ų140.386%0.85976%0.756SS**  175.1144.2119.4-95.8-67.5000114.7
436L31.9Very low30.4Very low155 Ų155143 Ų14381%0.81276%0.758SS**  trans-141.4155.5174.8-104.8170.1000106.4
437P33.2Very low29.9Very low109 Ų109142.6 Ų142.671%0.70876%0.763SS**  -166165.887.343.7-21.9000121
438K31.1Very low29.8Very low183 Ų183139.5 Ų139.580%0.79677%0.766SS**  trans57.9104.6134.2-70.8175.2-179.3179.80125.2
439T26.7Very low29.6Very low120 Ų120134.7 Ų134.774%0.73677%0.765SS**  49.7150.8112.560.30000125.6
440L26Very low29.7Very low162 Ų162137.8 Ų137.885%0.84878%0.775SS**  trans93.5150.2163.7-56.1170.9000117
441S25.6Very low29.4Very low93 Ų93133 Ų13365%0.6577%0.773SS**  cis-168.7158.7-34.653.80000111.4
442V28.1Very low29.4Very low132 Ų132132.7 Ų132.780%0.878%0.784SS**  trans55.9175.4174.2-79.60000116.8
443T28.9Very low29.4Very low122 Ų122133.9 Ų133.975%0.74879%0.792SS**  cis-152.5151.511.1-29.40000111.4
444P32.7Very low29Very low118 Ų118131.9 Ų131.977%0.76678%0.781SS**  trans-109.5135.1-177.337.5-29.8000116.7
445I28.6Very low28.9Very low154 Ų154135.4 Ų135.479%0.7979%0.794SS**  trans-149.1112.2175.5-64.6-175.8000107.7
446T27.6Very low28.7Very low131 Ų131129.7 Ų129.780%0.80479%0.792SS**  84.1145.991.8-48.30000115.3
447L25.8Very low28.6Very low173 Ų173128.1 Ų128.191%0.90679%0.794SS**  trans-74.7158.4-166.8-64.8102.9000116.2
448G28.8Very low28.4Very low78 Ų78133.2 Ų133.280%0.80481%0.805SS**  trans-134.4150.7154.600000110.6
449S27.3Very low28.3Very low113 Ų113129.9 Ų129.979%0.7981%0.805SS**  trans-127.1147.7-168.853.60000113.8
450V31.8Very low28.3Very low148 Ų148130.7 Ų130.790%0.89781%0.812SS**  trans-141.8146.4166.5-174.60000108.9
451S24.7Very low28.5Very low109 Ų109126.2 Ų126.276%0.76281%0.805SS**  trans-134136.6-168.5-51.30000112.1
452V31Very low28.7Very low148 Ų148130.4 Ų130.490%0.89781%0.808SS**  trans-139.7154.3165.6-171.20000109.2
453S29.1Very low28.7Very low122 Ų122128.4 Ų128.485%0.85380%0.8SS**  trans-107.2179.8-160.248.40000115.6
454S26.6Very low28.7Very low76 Ų76126.7 Ų126.753%0.53179%0.791SS.*  trans-111.7150.9-158.157.80000116.4
455I29.5Very low28.5Very low178 Ų178122.9 Ų122.991%0.91377%0.773SS**  trans-132147.2152-60.7-178.6000107.8
456A28.2Very low28.6Very low99 Ų99121.5 Ų121.582%0.81877%0.766SS**  trans-145.2148.7-171.300000114.4
457S30Very low28.7Very low123 Ų123116.7 Ų116.786%0.8674%0.74SS**  trans-143.4146.8171.653.50000110.7
458K28.7Very low29.5Very low216 Ų216110.4 Ų110.494%0.93971%0.709SS**  trans-100.4140-173.5-61.7172.8-176.7168.30112.7
459S27.9Very low29.8Very low113 Ų113109.5 Ų109.579%0.7969%0.69SS**  trans-151.2135.2157.752.70000110.5
460P28.3Very low30.3Very low137 Ų137104.6 Ų104.689%0.8966%0.657SS**  trans-93.7121.8173.933.7-28.7000111.2
461G29.4Very low30.7Very low68 Ų6898.6 Ų98.670%0.70162%0.621SS**  trans-177.2114.917600000115.6
462Y28.7Very low31.7Very low181 Ų18198.3 Ų98.371%0.7161%0.61SS**  trans37.484.8138-148.1-83.5000118P464Y462-P464 HydrophobicContact CE1-CB 4.45Å; Y462-P464 VanDerWaalsContact O-CD 3.29Å; Y462-P464 WeakPolarHBondContact O-CD 3.38Å
463S28.7Very low32.1Very low90 Ų9096.2 Ų96.263%0.62959%0.593SS**  trans-83.1114.6163.6-54.80000110.6E669S463-E669 PolarHBondContact OG-OE1 2.99Å
464P29.5Very low33Very low85 Ų8591 Ų9155%0.55256%0.556SS**  trans-91.316317437.3-34.7000112.6Y462 L466Y462-P464 HydrophobicContact CE1-CB 4.45Å; Y462-P464 VanDerWaalsContact O-CD 3.29Å; Y462-P464 WeakPolarHBondContact O-CD 3.38Å; P464-L466 PolarHBondContact O-N 3.49Å
465G27.8Very low33.9Very low38 Ų3889 Ų8939%0.39254%0.544SS..  trans65.710.7139.600000121.5D334D334-G465 WeakPolarHBondContact OD1-CA 3.45Å; D334-G465 PolarHBondContact OD1-N 3.46Å; D334-G465 VanDerWaalsContact OD2-CA 3.28Å; D334-G465 WeakPolarHBondContact OD2-CA 3.44Å
466L30.6Very low34.5Very low125 Ų12582.4 Ų82.465%0.65452%0.516SS*.PPolyproline II helixtrans-90.7121.6158.7-75.8178.5000109.7P464 T468 L672P464-L466 PolarHBondContact O-N 3.49Å; L466-T468 PolarHBondContact O-N 2.94Å; L466-T468 VanDerWaalsContact O-N 3.09Å; L466-L672 HydrophobicContact CD2-CD1 4.3Å
467A30.2Very low35.3Very low30 Ų3080 Ų8025%0.24850%0.497CS..PPolyproline II helixtrans-47.9119.5179.100000109.7S469 I472A467-S469 PolarHBondContact O-N 3.4Å; A467-I472 HydrophobicContact CB-CD1 4.44Å; A467-I472 HydrophobicContact CB-CG1 4.11Å; A467-I472 VanDerWaalsContact O-CD1 3.31Å; A467-I472 WeakPolarHBondContact O-CD1 3.4Å
468T43.2Very low36.2Very low42 Ų4275.9 Ų75.926%0.25846%0.464SS..PPolyproline II helixtrans-47.9142.1-172.7-460000109.9K275 L466 A470 S471 I472K275-T468 VanDerWaalsContact CE-OG1 3.27Å; K275-T468 WeakPolarHBondContact CE-OG1 3.39Å; L466-T468 PolarHBondContact O-N 2.94Å; L466-T468 VanDerWaalsContact O-N 3.09Å; T468-A470 HydrophobicContact CG2-CB 4.45Å; T468-A470 CarbonylContact O-C 3.5Å; T468-A470 PolarHBondContact O-N 2.78Å; T468-S471 WeakPolarHBondContact O-CA 3.47Å; T468-S471 WeakPolarHBondContact O-CB 3.41Å; T468-S471 PolarHBondContact O-N 2.92Å; T468-I472 PolarHBondContact O-N 3.4Å
469S34.3Very low37.2Very low59 Ų5973.8 Ų73.841%0.41346%0.455SS..Hα-helixtrans-50.7-31.3-174.3-40.60000113A467 I472 L473A467-S469 PolarHBondContact O-N 3.4Å; S469-I472 PolarHBondContact O-N 2.81Å; S469-L473 VanDerWaalsContact O-CB 3.25Å; S469-L473 WeakPolarHBondContact O-CB 3.39Å; S469-L473 WeakPolarHBondContact O-CG 3.3Å; S469-L473 PolarHBondContact O-N 3.12Å
470A38.4Very low37.8Very low10 Ų1075 Ų758%0.08345%0.452CS..Hα-helixtrans-51.9-53.716800000113.5Q195 T468 I472 L473 T474Q195-A470 HydrophobicContact CB-CB 4.1Å; Q195-A470 VanDerWaalsContact CD-CA 3.47Å; Q195-A470 VanDerWaalsContact CD-CB 3.48Å; Q195-A470 HydrophobicContact CG-CB 3.76Å; T468-A470 HydrophobicContact CG2-CB 4.45Å; T468-A470 CarbonylContact O-C 3.5Å; T468-A470 PolarHBondContact O-N 2.78Å; A470-I472 VanDerWaalsContact C-N 3.31Å; A470-I472 PolarHBondContact O-N 3.47Å; A470-L473 PolarHBondContact O-N 3.39Å; A470-T474 VanDerWaalsContact O-CB 3.25Å; A470-T474 WeakPolarHBondContact O-CB 3.44Å; A470-T474 PolarHBondContact O-N 3.19Å; A470-T474 PolarHBondContact O-OG1 3.29Å; A470-T474 VanDerWaalsContact O-OG1 3.07Å
471S39.3Very low38.1Very low22 Ų2270.6 Ų70.615%0.15443%0.425CS..Hα-helixtrans-61.9-38.1179.8-56.30000112.3T468 A475T468-S471 WeakPolarHBondContact O-CA 3.47Å; T468-S471 WeakPolarHBondContact O-CB 3.41Å; T468-S471 PolarHBondContact O-N 2.92Å; S471-A475 WeakPolarHBondContact O-CB 3.42Å; S471-A475 PolarHBondContact O-N 3.45Å
472I46.7Very low38.2Very low103 Ų10370.6 Ų70.653%0.52843%0.425SS..Hα-helixtrans-71-47.2176.2-60.2177.2000110.9A467 T468 S469 A470 A475 A476A467-I472 HydrophobicContact CB-CD1 4.44Å; A467-I472 HydrophobicContact CB-CG1 4.11Å; A467-I472 VanDerWaalsContact O-CD1 3.31Å; A467-I472 WeakPolarHBondContact O-CD1 3.4Å; T468-I472 PolarHBondContact O-N 3.4Å; S469-I472 PolarHBondContact O-N 2.81Å; A470-I472 VanDerWaalsContact C-N 3.31Å; A470-I472 PolarHBondContact O-N 3.47Å; I472-A475 PolarHBondContact O-N 2.95Å; I472-A476 VanDerWaalsContact O-CB 3.26Å; I472-A476 WeakPolarHBondContact O-CB 3.26Å; I472-A476 PolarHBondContact O-N 2.74Å
473L39.9Very low38.2Very low104 Ų10473.4 Ų73.455%0.54544%0.435SS..Hα-helixtrans-68.3-42.1-178.5-71.8168.7000112.2S469 A470 A476 A477S469-L473 VanDerWaalsContact O-CB 3.25Å; S469-L473 WeakPolarHBondContact O-CB 3.39Å; S469-L473 WeakPolarHBondContact O-CG 3.3Å; S469-L473 PolarHBondContact O-N 3.12Å; A470-L473 PolarHBondContact O-N 3.39Å; L473-A476 PolarHBondContact O-N 3.03Å; L473-A477 VanDerWaalsContact O-CB 3.31Å; L473-A477 WeakPolarHBondContact O-CB 3.39Å; L473-A477 PolarHBondContact O-N 3.45Å
474T46.4Very low38.2Very low11 Ų1177 Ų777%0.06745%0.446CS..Hα-helixtrans-66.4-42.3173.4-60.20000110.9F237 L274 A470 A476 A477 M478F237-T474 HydrophobicContact CD1-CG2 4.37Å; F237-T474 HydrophobicContact CE1-CG2 3.98Å; F237-T474 HydrophobicContact CE2-CG2 4.16Å; F237-T474 HydrophobicContact CZ-CG2 3.87Å; L274-T474 HydrophobicContact CD1-CG2 3.96Å; L274-T474 HydrophobicContact CD2-CG2 4.32Å; A470-T474 VanDerWaalsContact O-CB 3.25Å; A470-T474 WeakPolarHBondContact O-CB 3.44Å; A470-T474 PolarHBondContact O-N 3.19Å; A470-T474 PolarHBondContact O-OG1 3.29Å; A470-T474 VanDerWaalsContact O-OG1 3.07Å; T474-A476 VanDerWaalsContact C-N 3.33Å; T474-A476 PolarHBondContact O-N 2.97Å; T474-A477 PolarHBondContact O-N 2.82Å; T474-M478 HydrophobicContact CG2-CG 4.39Å; T474-M478 HydrophobicContact CG2-SD 4.24Å; T474-M478 WeakPolarHBondContact O-CB 3.38Å; T474-M478 VanDerWaalsContact O-CG 3.25Å; T474-M478 WeakPolarHBondContact O-CG 3.47Å; T474-M478 PolarHBondContact O-N 3.35Å
475A45.4Very low38Very low34 Ų3481.1 Ų81.128%0.28145%0.451SS..Hα-helixtrans-64.1-36.9174.500000112.5S471 I472 K479S471-A475 WeakPolarHBondContact O-CB 3.42Å; S471-A475 PolarHBondContact O-N 3.45Å; I472-A475 PolarHBondContact O-N 2.95Å; A475-K479 WeakPolarHBondContact O-CB 3.35Å; A475-K479 WeakPolarHBondContact O-CG 3.33Å; A475-K479 PolarHBondContact O-N 2.9Å
476A42.5Very low38.1Very low40 Ų4084.7 Ų84.733%0.33147%0.465SS..Hα-helixtrans-67.8-44174.300000112.1I472 L473 T474 K479 N480I472-A476 VanDerWaalsContact O-CB 3.26Å; I472-A476 WeakPolarHBondContact O-CB 3.26Å; I472-A476 PolarHBondContact O-N 2.74Å; L473-A476 PolarHBondContact O-N 3.03Å; T474-A476 VanDerWaalsContact C-N 3.33Å; T474-A476 PolarHBondContact O-N 2.97Å; A476-K479 PolarHBondContact O-N 2.85Å; A476-N480 WeakPolarHBondContact O-CB 3.46Å; A476-N480 VanDerWaalsContact O-CG 3.27Å; A476-N480 PolarHBondContact O-N 3.06Å
477A45.1Very low37.9Very low49 Ų4982.9 Ų82.941%0.40546%0.461SS..Hα-helixtrans-61.5-43.6174.100000111.6L473 T474 N480 S481L473-A477 VanDerWaalsContact O-CB 3.31Å; L473-A477 WeakPolarHBondContact O-CB 3.39Å; L473-A477 PolarHBondContact O-N 3.45Å; T474-A477 PolarHBondContact O-N 2.82Å; A477-N480 PolarHBondContact O-N 2.8Å; A477-S481 PolarHBondContact O-N 2.56Å; A477-S481 VanDerWaalsContact O-N 3.07Å
478M50.1Low37.7Very low36 Ų3686.6 Ų86.618%0.17749%0.492CS..Hα-helixtrans-62.5-43.6174.3-70.8-175.787.600111.9F237 L240 K241 F244 T474 N480 S481F237-M478 HydrophobicContact CD2-CG 4.27Å; L240-M478 HydrophobicContact CD2-CE 4.24Å; L240-M478 HydrophobicContact CD2-SD 4.01Å; K241-M478 HydrophobicContact CG-CE 3.86Å; F244-M478 HydrophobicContact CD2-CE 4.32Å; F244-M478 HydrophobicContact CE2-CE 3.96Å; F244-M478 HydrophobicContact CE2-SD 4.35Å; T474-M478 HydrophobicContact CG2-CG 4.39Å; T474-M478 HydrophobicContact CG2-SD 4.24Å; T474-M478 WeakPolarHBondContact O-CB 3.38Å; T474-M478 VanDerWaalsContact O-CG 3.25Å; T474-M478 WeakPolarHBondContact O-CG 3.47Å; T474-M478 PolarHBondContact O-N 3.35Å; M478-N480 PolarHBondContact O-N 3Å; M478-S481 PolarHBondContact O-N 3.18Å; M478-S481 PolarHBondContact O-OG 3.13Å
479K48.9Very low37.1Very low173 Ų17390.6 Ų90.675%0.75252%0.516SS*.Hα-helixtrans-61.6-40.1174.3-80.1-178.3175.1-174.70112.6A475 A476 S481A475-K479 WeakPolarHBondContact O-CB 3.35Å; A475-K479 WeakPolarHBondContact O-CG 3.33Å; A475-K479 PolarHBondContact O-N 2.9Å; A476-K479 PolarHBondContact O-N 2.85Å; K479-S481 VanDerWaalsContact C-N 3.26Å; K479-S481 PolarHBondContact O-N 3.01Å
480N40.1Very low36.8Very low137 Ų13798.6 Ų98.673%0.73354%0.537SS*.Hα-helixtrans-73.4-13.9178.2-69.7-5.8000113.4A476 A477 M478 G482A476-N480 WeakPolarHBondContact O-CB 3.46Å; A476-N480 VanDerWaalsContact O-CG 3.27Å; A476-N480 PolarHBondContact O-N 3.06Å; A477-N480 PolarHBondContact O-N 2.8Å; M478-N480 PolarHBondContact O-N 3Å; N480-G482 PolarHBondContact O-N 3.18Å; N480-G482 VanDerWaalsContact O-N 3.07Å
481S35.8Very low36.3Very low45 Ų45103.8 Ų103.832%0.31557%0.573SS.*THydrogen-bonded Turntrans-73.510.8-178.772.40000116K241 A477 M478 K479 R483K241-S481 PolarHBondContact NZ-OG 3.36Å; A477-S481 PolarHBondContact O-N 2.56Å; A477-S481 VanDerWaalsContact O-N 3.07Å; M478-S481 PolarHBondContact O-N 3.18Å; M478-S481 PolarHBondContact O-OG 3.13Å; K479-S481 VanDerWaalsContact C-N 3.26Å; K479-S481 PolarHBondContact O-N 3.01Å; S481-R483 PolarHBondContact O-N 3.36Å
482G30.3Very low35.7Very low68 Ų68107.4 Ų107.470%0.70160%0.598SS**  trans73.919.2137.300000119.8N480N480-G482 PolarHBondContact O-N 3.18Å; N480-G482 VanDerWaalsContact O-N 3.07Å
483R29.9Very low34.9Very low241 Ų241111.2 Ų111.291%0.90961%0.614SS**  trans-126.6133.1159.6-84.1-167.6175-162.9-0.3111.4S481 Y485S481-R483 PolarHBondContact O-N 3.36Å; R483-Y485 PolarHBondContact O-N 3.22Å
484L27.2Very low34.4Very low166 Ų166112.4 Ų112.487%0.86963%0.625SS**  trans-61.2113.9-178.1-71.2161.6000111.1V486L484-V486 HydrophobicContact CB-CG2 4.15Å; L484-V486 PolarHBondContact O-N 2.84Å; L484-V486 VanDerWaalsContact O-N 3.16Å
485Y26.7Very low33.4Very low170 Ų170123.1 Ų123.167%0.66767%0.666SS**  trans-77.194.6164.2-171.7-76.5000107.6E248 R483 P487E248-Y485 PolarHBondContact OE2-OH 3.43Å; E248-Y485 VanDerWaalsContact OE2-OH 3.08Å; R483-Y485 PolarHBondContact O-N 3.22Å; Y485-P487 WeakPolarHBondContact O-CD 3.41Å
486V28.3Very low32.7Very low113 Ų113125 Ų12569%0.68569%0.688SS**  trans-87.6118.2173.9-179.50000108.2L484 A488L484-V486 HydrophobicContact CB-CG2 4.15Å; L484-V486 PolarHBondContact O-N 2.84Å; L484-V486 VanDerWaalsContact O-N 3.16Å; V486-A488 PolarHBondContact O-N 3.39Å
487P27.6Very low32.2Very low87 Ų87131.1 Ų131.157%0.56572%0.716SS**  trans-62.2134.5172.5-2032.9000110.2Y485 V489Y485-P487 WeakPolarHBondContact O-CD 3.41Å; P487-V489 VanDerWaalsContact C-N 3.28Å; P487-V489 PolarHBondContact O-N 3.41Å
488A26.4Very low31.3Very low108 Ų108132.3 Ų132.389%0.89373%0.732SS**  trans-73.378.5-179.500000111.8V486 R490V486-A488 PolarHBondContact O-N 3.39Å; A488-R490 PolarHBondContact O-N 3Å
489V30.8Very low30.6Very low127 Ų127135.9 Ų135.977%0.7776%0.758SS**  trans-69.3122.3172.8179.70000109.2P487 S491P487-V489 VanDerWaalsContact C-N 3.28Å; P487-V489 PolarHBondContact O-N 3.41Å; V489-S491 PolarHBondContact O-N 3.17Å
490R26.4Very low29.5Very low227 Ų227133.8 Ų133.886%0.85776%0.756SS**  trans-76.2113.9168-80.4-178.6167.6-177.3-6109.7A488A488-R490 PolarHBondContact O-N 3Å
491S28.9Very low29Very low119 Ų119138.6 Ų138.683%0.83277%0.765SS**  trans-76.912615841.70000109.6V489V489-S491 PolarHBondContact O-N 3.17Å
492S25.5Very low28.6Very low97 Ų97141.9 Ų141.968%0.67878%0.784SS**  trans-128.787179.5-63.80000110
493Q30Very low28.4Very low184 Ų184147.6 Ų147.686%0.8679%0.789SS**  trans179.6145.3176.4-103.6153.968.800107.6
494T30.5Very low28.4Very low128 Ų128144.7 Ų144.779%0.78579%0.788SS**  cis-157.9167.3-21.6-2.30000107.5
495Y25Very low28.5Very low237 Ų237141 Ų14193%0.92978%0.777SS**  trans-66.4144.4179.2-85.6-105000113.3
496G30.7Very low28.8Very low72 Ų72139.2 Ų139.274%0.74278%0.779SS**  trans-163.4136.2170.300000110.8
497N30.9Very low29.2Very low170 Ų170140.9 Ų140.991%0.90978%0.779SS**  trans-96.3151.6-170.4-63.2-30.7000112.9
498G28Very low29.3Very low73 Ų73145 Ų14575%0.75379%0.788SS**  trans165.7125.9168.900000112.5
499P34.5Very low29.7Very low111 Ų111147.1 Ų147.172%0.72178%0.782SS**  trans-112.5169.9-162.241.6-35.5000116.2
500N26.1Very low29.9Very low130 Ų130149.2 Ų149.270%0.69578%0.781SS**  trans69.2123.2161.1-56.3-27.9000118.2
501Y30.3Very low30.3Very low237 Ų237144.3 Ų144.393%0.92977%0.771SS**  -164.6147.5103.2-95-67.7000109.8
502T26.5Very low30.6Very low115 Ų115144.4 Ų144.471%0.70676%0.763SS**  trans-131.9125.4-162.1-59.20000111.6
503F26.1Very low31.2Very low188 Ų188147.4 Ų147.483%0.82577%0.766SS**  trans54.5137.6163.8-85.5-119000119.7
504M29.8Very low31.4Very low179 Ų179144.4 Ų144.488%0.88276%0.76SS**  -150.2150.7118.3-86.4-139.774.700109.8
505S29.6Very low31.6Very low90 Ų90143.2 Ų143.263%0.62976%0.757SS**  trans-119.3165.3176.263.20000110.8
506N33.7Very low31.9Very low132 Ų132137.8 Ų137.871%0.70675%0.754SS**  trans-157.6148.6170.9-87.3-38.3000106.7
507Q35.3Very low32.1Very low148 Ų148138.8 Ų138.869%0.69275%0.749SS**  cis169156.6-8.6-112.7-169.36500102.8
508K31.1Very low32.3Very low172 Ų172139.8 Ų139.875%0.74875%0.746SS**  cis-168.4-168-4.7-163.2163.7179.4174.40107.9
509I34.4Very low32.4Very low153 Ų153141.2 Ų141.279%0.78574%0.744SS**  trans97.1121.6165.8-57.8169.3000113.4
510K34.9Very low32.2Very low171 Ų171144.8 Ų144.874%0.74375%0.751SS**  cis-161.5142-10.3-115.2-169.7164.7-168.10110
511L35.1Very low32.6Very low124 Ų124142.9 Ų142.965%0.64975%0.753SS**  trans48.5142.7134.4-59.7176.3000121.5
512D33.6Very low32.7Very low122 Ų122137.1 Ų137.165%0.65275%0.745SS**  cis-170.6-175-17.2-125.321.2000112.1
513H38.7Very low33.1Very low159 Ų159142.9 Ų142.974%0.73676%0.756SS**  trans101.392.6157-57.9-61.4000120.7
514T35.3Very low33.4Very low122 Ų122139 Ų13975%0.74875%0.751SS**  45.6141.9120.355.10000122.4
515S34.3Very low33.7Very low102 Ų102136.1 Ų136.171%0.71375%0.746SS**  cis179.2151.8-10.150.40000112
516S31.8Very low33.8Very low123 Ų123136.7 Ų136.786%0.8675%0.75SS**  trans67.6146.3165.6-1120000116.9
517S35.1Very low33.6Very low93 Ų93140.1 Ų140.165%0.6576%0.759SS**  cis-165.3159.69.456.60000112.2
518K33.2Very low33.4Very low192 Ų192138.2 Ų138.284%0.83576%0.762SS**  trans53115.9153.4-68-177.3178.5-174.40118.4
519S30.6Very low33.4Very low103 Ų103135.4 Ų135.472%0.7276%0.759SS**  117149.983590000108.4
520E30.9Very low33.2Very low185 Ų185135 Ų13586%0.86476%0.758SS**  cis-157.4-174.111.1-145.3158.2-131.700112
521A34.2Very low33.1Very low90 Ų90134.6 Ų134.674%0.74476%0.759SS**  trans7095.7161.400000121.4
522P33.2Very low32.8Very low117 Ų117132 Ų13276%0.7675%0.751SS**  trans-120.8150.7147.637.4-27.3000112.4
523Y34.2Very low32.9Very low236 Ų236133.1 Ų133.193%0.92576%0.756SS**  trans-149.6143.4164.4-100.9-76.4000114.5
524S31.5Very low32.5Very low105 Ų105130.9 Ų130.973%0.73476%0.758SS**  trans-122.4-146.3160.9-450000106.6
525P36.4Very low32.4Very low120 Ų120129.6 Ų129.678%0.77975%0.754SS**  cis-100.8-1243.133.2-13.4000112
526S31.3Very low32.3Very low101 Ų101129.9 Ų129.971%0.70676%0.756SS**  cis-151.1176.411.4-40.70000111.8
527F30Very low32.6Very low205 Ų205129.5 Ų129.590%0.89975%0.748SS**  trans-148.5135.6168.9-136.6-91.6000108.7
528S32Very low32.6Very low107 Ų107131.9 Ų131.975%0.74875%0.753SS**  trans-168.6130.2170.349.70000108.3
529V29.6Very low32.7Very low113 Ų113128.1 Ų128.169%0.68575%0.746SS**  cis89.1142.134.9-177.10000112.3
530D31.8Very low32.9Very low144 Ų144129.8 Ų129.877%0.7775%0.747SS**  trans67.8158.7-174.1-50.9-38.3000114.7
531E31.7Very low33.1Very low164 Ų164127.3 Ų127.377%0.76674%0.74SS**  cis-170.6162-18.5-98.5-84.2105.100105.4
532S29.1Very low33Very low68 Ų68128.6 Ų128.648%0.47674%0.738SS.*  cis-175.7-154.4-24.559.50000110.7
533I35.2Very low33Very low147 Ų147128.8 Ų128.875%0.75474%0.739SS**  trans66.6112.4161.3-67.1161.7000119.6
534S30.3Very low32.8Very low111 Ų111122.5 Ų122.578%0.77673%0.73SS**  trans54.1154.9133.5-61.80000123.2
535S33.5Very low32.8Very low96 Ų96124.6 Ų124.667%0.67173%0.731SS**  cis-168.9156.3-8420000113.1
536S32.5Very low32.6Very low108 Ų108126 Ų12676%0.75573%0.728SS**  trans65161.3158.460.30000116.9
537V37.5Very low32.7Very low115 Ų115128.6 Ų128.670%0.69773%0.728SS**  cis-152.812839.5162.80000112.5
538L36.8Very low32.9Very low143 Ų143127.5 Ų127.575%0.74973%0.726SS**  trans59.4114.9149-63.1175.9000121.9
539T34Very low32.7Very low113 Ų113127.6 Ų127.669%0.69373%0.727SS**  65.6150.198.969.40000116.6
540N35.6Very low33Very low138 Ų138127.4 Ų127.474%0.73873%0.727SS**  cis-1641759.8-128.9-3.5000108.9
541N34.7Very low32.9Very low133 Ų133127.8 Ų127.871%0.71173%0.729SS**  cis-155.9-177.5-8.7-157.6-0000110.1
542V31.2Very low33Very low116 Ų116125.7 Ų125.770%0.70373%0.727SS**  trans-139.1143.9179.2168.80000107.1
543P35.1Very low33.1Very low122 Ų122128.2 Ų128.279%0.79274%0.74SS**  -158.1167.582.742.2-19.5000121
544S29.1Very low32.8Very low104 Ų104126.2 Ų126.273%0.72774%0.739SS**  trans-62.1169.6165.8-34.60000114.8
545I32.3Very low32.9Very low148 Ų148126 Ų12676%0.75974%0.738SS**  173.3133.5123.4-95.2167.3000116
546Q31.3Very low32.6Very low151 Ų151126.4 Ų126.471%0.70674%0.74SS**  trans71.8127.3148.3-79.2171.73.200127.7
547H33.3Very low32.5Very low155 Ų155126.2 Ų126.272%0.71874%0.739SS**  96.8144.6121.7-81-40.3000126.3
548Q33.6Very low32Very low182 Ų182127.8 Ų127.885%0.8574%0.743SS**  trans83.6100.9155.9-74.4169.625.100122.4
549S28Very low31.6Very low109 Ų109127.4 Ų127.476%0.76274%0.74SS**  trans-74.5-173.1146.8-39.30000110.3
550P36.3Very low31.4Very low108 Ų108129.6 Ų129.670%0.70175%0.748SS**  cis-151.3-178.41443.8-21.8000120
551L29.6Very low31Very low153 Ų153128.2 Ų128.280%0.80175%0.749SS**  trans73.4157138.1-86.6163.1000124.3
552T33.7Very low31.2Very low119 Ų119126.4 Ų126.473%0.7374%0.744SS**  trans70.5144.9165.2650000119.3
553T32.4Very low31.1Very low121 Ų121127.9 Ų127.974%0.74275%0.748SS**  cis-160.2142.1-13.615.90000112.5
554S28.7Very low30.8Very low106 Ų106131 Ų13174%0.74175%0.752SS**  trans52.6149.8134.6-47.90000126
555S31.8Very low30.9Very low106 Ų106131.3 Ų131.374%0.74175%0.754SS**  trans91.790.1143.6-57.80000122.4
556S27.5Very low30.7Very low104 Ų104134.2 Ų134.273%0.72776%0.757SS**  37.4127.9123.761.80000122.2
557S29.2Very low30.6Very low104 Ų104131.4 Ų131.473%0.72776%0.76SS**  166.2146.891.7540000116.2
558L28.6Very low30.4Very low149 Ų149129.9 Ų129.978%0.7876%0.762SS**  trans52.9115.5144.8-59.9166000123.8
559I27.6Very low30.2Very low134 Ų134128 Ų12869%0.68776%0.763SS**  54.7111.3125.4-55.1176.3000119.8
560N30.9Very low30.2Very low160 Ų160126.3 Ų126.386%0.85676%0.762SS**  -174.5167.5113-101.7-50.1000114.6
561S26Very low29.7Very low108 Ų108125.1 Ų125.176%0.75577%0.769SS**  trans-148.2173.4173.4-143.50000107.1
562P39.3Very low29.7Very low96 Ų96127.4 Ų127.462%0.62377%0.767SS**  cis-135.1-156.9039.5-18000113.6
563D28.7Very low29.2Very low146 Ų146130.7 Ų130.778%0.78177%0.774SS**  trans77.6145.5149-75.6-25.7000124.1
564E29.4Very low29Very low188 Ų188134 Ų13488%0.87977%0.774SS**  trans59158.9167.2-59.4-163.8152.100118.3
565S31.3Very low29Very low110 Ų110139.8 Ų139.877%0.76978%0.78SS**  cis-146.6-163.49.164.50000112.9
566Y26.8Very low28.6Very low209 Ų209141.8 Ų141.882%0.8278%0.781SS**  trans-89.7141.8-171.9-70.3-113.2000115
567A30.9Very low28.6Very low92 Ų92144.7 Ų144.776%0.7679%0.787SS**  trans-161106.4146.500000112
568T28.1Very low28.4Very low124 Ų124145.4 Ų145.476%0.76179%0.787SS**  61130.892.9-10000119.3
569T28.8Very low28.5Very low143 Ų143149.9 Ų149.988%0.87779%0.794SS**  trans59122.4157.946.50000120.7
570G28.9Very low28.5Very low73 Ų73152 Ų15275%0.75381%0.805SS**  trans-173.459.3173.200000113.7
571G24.8Very low28.3Very low82 Ų82150.4 Ų150.485%0.84581%0.807SS**  trans-68.6134.8-176.100000113.6
572R29.9Very low28.4Very low201 Ų201150.8 Ų150.876%0.75881%0.81SS**  trans-116.898.8170.2-73.7-169.4176.2-170.30.1111.6Y574R572-Y574 HydrophobicContact CB-CE2 4.16Å; R572-Y574 PolarHBondContact O-N 2.93Å
573H24.7Very low28Very low188 Ų188152.3 Ų152.387%0.8782%0.823SS**  trans-62.3119157.4-88.9-142.1000109.2
574Y28.4Very low27.9Very low190 Ų190149.8 Ų149.875%0.74582%0.817SS**  trans-93.5111.2155.3-80.4-82.2000108.1R572 I576R572-Y574 HydrophobicContact CB-CE2 4.16Å; R572-Y574 PolarHBondContact O-N 2.93Å; Y574-I576 PolarHBondContact O-N 3.4Å
575R27.7Very low27.9Very low229 Ų229147.3 Ų147.386%0.86481%0.809SS**  trans-62.1126.3-179.2-87.6178.6164.9152.5-5.5110.3L577R575-L577 PolarHBondContact O-N 3.31Å
576I23.9Very low27.7Very low148 Ų148152.8 Ų152.876%0.75981%0.813SS**  trans-67.4121.6159.9-62.6171.2000107.3Y574 T578Y574-I576 PolarHBondContact O-N 3.4Å; I576-T578 HydrophobicContact CG2-CG2 3.97Å
577L26.5Very low27.9Very low164 Ų164147.9 Ų147.986%0.85981%0.809SS**  trans-97.884.8166.3-84.3173.7000109.7R575 R579R575-L577 PolarHBondContact O-N 3.31Å; L577-R579 PolarHBondContact O-N 2.9Å
578T26Very low27.7Very low119 Ų119152.9 Ų152.973%0.7381%0.814SS**  trans-69.9114161.439.10000109.5I576I576-T578 HydrophobicContact CG2-CG2 3.97Å
579R29.6Very low27.8Very low244 Ų244152.9 Ų152.992%0.92181%0.814SS**  trans-115.1140149.2-87.6-167.3170.7-164.2-2.1109.3L577L577-R579 PolarHBondContact O-N 2.9Å
580L27.2Very low27.7Very low177 Ų177152.7 Ų152.793%0.92781%0.807SS**  trans-88.3132.3-173.5-64.4150.7000110.2
581S28.8Very low27.8Very low128 Ų128156.1 Ų156.190%0.89580%0.802SS**  trans-159.2159.7132.568.50000109.7
582S27.3Very low27.8Very low116 Ų116160.6 Ų160.681%0.81179%0.794SS**  trans-117.3128.3-17153.40000111.7
583S29.8Very low27.8Very low128 Ų128161.2 Ų161.290%0.89580%0.798SS**  trans-158.3153.5146.9-1620000112.6
584S28Very low28.2Very low93 Ų93157.5 Ų157.565%0.6578%0.781SS**  trans-75.6136.2176.21770000111.4
585N28.7Very low28.2Very low135 Ų135157 Ų15772%0.72279%0.79SS**  179.7164.2114.9-102.4-73.7000113.8
586R27.4Very low28.2Very low225 Ų225152.6 Ų152.685%0.84978%0.784SS**  trans17.2135.7154.7-64.8174.6172.3-176.5-3.8118.5
587S30.1Very low28.6Very low106 Ų106156.3 Ų156.374%0.74179%0.79SS**  cis-161.6153.946.4-143.50000114.7
588K27.4Very low28.8Very low197 Ų197155.4 Ų155.486%0.85779%0.786SS**  trans-91.4119.6172.1-63.4173.4-177172.80109.2
589V30.2Very low28.9Very low125 Ų125159.5 Ų159.576%0.75879%0.793SS**  trans-107.886.5168.5-175.40000109.3H591V589-H591 PolarHBondContact O-N 3.39Å
590L26Very low28.9Very low139 Ų139155 Ų15573%0.72879%0.788SS**  trans-78.1100.8163.8-88.1165.1000107.8R592L590-R592 PolarHBondContact O-N 2.96Å
591H31.2Very low29.2Very low144 Ų144152.7 Ų152.767%0.66778%0.776SS**  trans-70.9127.3170.2-132.2-72.8000110.2R96 V589R96-H591 PolarHBondContact NH2-O 2.92Å; V589-H591 PolarHBondContact O-N 3.39Å
592R26Very low29.3Very low176 Ų176153.8 Ų153.866%0.66477%0.772SS**  trans-90.2147.6178.2-158-169.5-69.1-174.1-0.2109L590 E594L590-R592 PolarHBondContact O-N 2.96Å; R592-E594 WeakPolarHBondContact CD-OE1 3.13Å; R592-E594 WeakPolarHBondContact CD-OE2 3.33Å; R592-E594 WeakPolarHBondContact CG-OE2 3.43Å; R592-E594 IonicContact CZ-OE1 2.69Å; R592-E594 IonicContact NE-OE1 3.62Å; R592-E594 IonicContact NH1-OE1 3.7Å; R592-E594 PolarHBondContact NH1-OE1 2.78Å
593Y29.9Very low29.7Very low215 Ų215154.2 Ų154.284%0.84378%0.775SS**  trans-142119.7152.8-96.1-77.5000105.4
594E31.6Very low29.8Very low109 Ų109156.1 Ų156.151%0.50977%0.774SS.*  trans-71.7160.7-177.4-91.692.2165.200113.4R592R592-E594 WeakPolarHBondContact CD-OE1 3.13Å; R592-E594 WeakPolarHBondContact CD-OE2 3.33Å; R592-E594 WeakPolarHBondContact CG-OE2 3.43Å; R592-E594 IonicContact CZ-OE1 2.69Å; R592-E594 IonicContact NE-OE1 3.62Å; R592-E594 IonicContact NH1-OE1 3.7Å; R592-E594 PolarHBondContact NH1-OE1 2.78Å
595L28.9Very low29.9Very low180 Ų180156.2 Ų156.294%0.94278%0.775SS**  trans-103.9111.6157.7-74.7164.1000106.4
596D28.9Very low30Very low137 Ų137157 Ų15773%0.73378%0.784SS**  trans-115.7113.7169.2-71.3-50.2000108.5
597Y30.5Very low30.2Very low225 Ų225149.8 Ų149.888%0.88278%0.78SS**  trans-167.1161.1150-107.6-70.2000109.6
598D30.9Very low30.4Very low146 Ų146149.9 Ų149.978%0.78178%0.781SS**  trans61.182.7174.2-62.2-6.4000118.2
599K28.9Very low30.7Very low204 Ų204148 Ų14889%0.88778%0.78SS**  -137.3134.3121.2-79.9-157174.2-166.80110.5
600N29.8Very low30.8Very low149 Ų149147 Ų14780%0.79778%0.777SS**  trans-146.9163.5163.7-120.636000109.5
601D34Very low31.2Very low129 Ų129147.2 Ų147.269%0.6978%0.784SS**  trans74.2119.1161.6-51-10.6000120.1
602D30.9Very low31.1Very low152 Ų152147.3 Ų147.381%0.81379%0.788SS**  trans69.7101.1141.8-59.3-11.6000123
603S34.4Very low31.2Very low125 Ų125145.6 Ų145.687%0.87479%0.788SS**  -164.7143.1101.527.20000114.1
604L31.2Very low31.1Very low167 Ų167143.6 Ų143.687%0.87478%0.784SS**  trans-76.2160.7168.2-73.9159000110.3
605S30.7Very low30.9Very low95 Ų95143.5 Ų143.566%0.66480%0.795SS**  cis-170.1152.2-2.343.60000111.7
606V30.9Very low30.9Very low151 Ų151140.5 Ų140.592%0.91579%0.789SS**  trans57.1124.9149.1176.40000119.8
607G32.5Very low30.8Very low74 Ų74141.5 Ų141.576%0.76379%0.789SS**  trans171.199.5164.400000114.4
608S33Very low30.6Very low109 Ų109137.3 Ų137.376%0.76278%0.781SS**  trans-66.1161.2176.9-35.30000112.1
609N33.5Very low30.5Very low156 Ų156141 Ų14183%0.83478%0.784SS**  cis-151.9169.927.6-111.3-31000112.1
610P33.6Very low30.3Very low106 Ų106138.5 Ų138.569%0.68878%0.78SS**  trans-108.9156.5-170.839.5-33.1000116
611T33.7Very low30Very low143 Ų143135.6 Ų135.688%0.87777%0.771SS**  trans-149.5155.8150.94.80000112.7
612L29.1Very low29.5Very low145 Ų145139.7 Ų139.776%0.75978%0.777SS**  trans-87.7170.1-179.9-59.782.2000110
613Q28.6Very low29.2Very low140 Ų140140.8 Ų140.865%0.65478%0.775SS**  cis-157.2143.211.8-149.717276.300113
614K27.7Very low28.8Very low174 Ų174140.9 Ų140.976%0.75777%0.77SS**  trans52.7130.4149-79.1169.7-172.1168.90122.3
615S27.2Very low28.6Very low106 Ų106141.1 Ų141.174%0.74177%0.767SS**  trans93.258144.2-53.60000120.3
616S28.8Very low28.3Very low118 Ų118143.9 Ų143.983%0.82577%0.774SS**  trans-54.3135.8136.938.10000109.5
617Q26.7Very low28.2Very low158 Ų158145.7 Ų145.774%0.73877%0.77SS**  cis71.6136.122.3-135.4-154.890.100115.2
618L27.5Very low27.8Very low136 Ų136150 Ų15071%0.71277%0.77SS**  trans73151.2173-51.7165.1000115.6
619R27.5Very low27.6Very low224 Ų224152 Ų15285%0.84577%0.77SS**  cis-140.61522.1-148.4167.7-168.7157.73.1113.2
620L24.1Very low27.1Very low152 Ų152150.5 Ų150.580%0.79676%0.761SS**  trans-81.7133.3177.1-97.472.1000113.3
621S24Very low27Very low87 Ų87152.3 Ų152.361%0.60876%0.764SS**  72.8159.4125.884.50000122.9
622R23.9Very low26.5Very low215 Ų215152 Ų15281%0.81176%0.757SS**  trans81.1158.5149.1-72170.5-177.4-177.71.2120
623F25.3Very low26.5Very low175 Ų175156.5 Ų156.577%0.76876%0.764SS**  trans65.489.8169.3-67.4-67.1000119.7
624T25.1Very low26.5Very low128 Ų128155.7 Ų155.779%0.78577%0.771SS**  -38.1133.4125.6480000112.3
625Q27.9Very low26.3Very low171 Ų171154.9 Ų154.980%0.79977%0.774SS**  trans-146.3118.4153.2-135.717624.300110.2
626N23.7Very low26.3Very low154 Ų154157 Ų15782%0.82478%0.783SS**  trans-70.2141.5166.1-64.9-15000108.3
627K28.8Very low26.3Very low188 Ų188154.6 Ų154.682%0.81778%0.777SS**  trans-130.4113.7148.1-85.7-166.9172.7-176.90108.7
628E23.4Very low26.3Very low166 Ų166158.6 Ų158.678%0.77679%0.787SS**  trans-63.6140.8164.5-62.1164.1116.400108.7
629I28.6Very low26.4Very low149 Ų149157.8 Ų157.876%0.76479%0.792SS**  trans-122.390164.3-66.2-177.8000106.4I631I629-I631 HydrophobicContact CG2-CD1 3.81Å; I629-I631 HydrophobicContact CG2-CG1 3.83Å
630I24Very low26.5Very low125 Ų125152.8 Ų152.864%0.64179%0.792SS**  trans-77.4118170.5-61.4171.2000107.2
631I31.6Very low26.8Very low144 Ų144148.8 Ų148.874%0.73879%0.788SS**  trans-12289.7168.4-60.6176.6000108.6I629I629-I631 HydrophobicContact CG2-CD1 3.81Å; I629-I631 HydrophobicContact CG2-CG1 3.83Å
632N24Very low27.1Very low137 Ų137152.3 Ų152.373%0.73380%0.798SS**  trans-74.8138.9155.4-69.6-39.7000108.8
633R27.8Very low27.4Very low240 Ų240151.4 Ų151.491%0.90680%0.8SS**  trans-173.2161.1145.5-101.6161.2-173.5-132.3-2.6110
634P29.3Very low27.6Very low123 Ų123152.8 Ų152.880%0.79981%0.809SS**  trans-125.3-169.7-137.735.3-15000115
635N23.2Very low27.8Very low156 Ų156154 Ų15483%0.83480%0.803SS**  trans-65.7177.3178.7-100.1-22.5000115.4
636V27.9Very low28.1Very low151 Ų151151.9 Ų151.992%0.91580%0.804SS**  trans86.2131.3172.3-169.10000113.6
637G28.7Very low28.5Very low68 Ų68149 Ų14970%0.70179%0.789SS**  cis-165.8-179.41.600000113.8
638Y25.2Very low28.5Very low241 Ų241147 Ų14795%0.94579%0.786SS**  trans-83155.4-173.1-89.4-98.2000114.8
639S30.9Very low28.8Very low119 Ų119145.1 Ų145.183%0.83279%0.788SS**  trans-145.4167.2146.8-167.80000109.9
640S28.9Very low28.7Very low119 Ų119146.2 Ų146.283%0.83279%0.787SS**  trans-138.1157-156.467.80000115.3
641G29.9Very low28.9Very low69 Ų69147.7 Ų147.771%0.71180%0.795SS**  trans-167.197.9175.800000116.9
642I30.3Very low28.6Very low161 Ų161147.4 Ų147.483%0.82679%0.794SS**  trans41.999.4138.7-53.1175.3000117.3
643K30Very low28.9Very low196 Ų196147.2 Ų147.285%0.85280%0.798SS**  65.9118.281.5-79-168.8174-175.60117.7
644Q31Very low28.8Very low204 Ų204142.4 Ų142.495%0.95380%0.796SS**  -175.2156.2120-100.2177.94300112.3
645K29.2Very low28.9Very low154 Ų154142.4 Ų142.467%0.6780%0.798SS**  trans-161.9142.9-180-170.4-167172.7-1410110.7D647K645-D647 WeakPolarHBondContact CD-OD2 3.17Å; K645-D647 WeakPolarHBondContact CE-OD2 3.36Å; K645-D647 WeakPolarHBondContact CG-OD2 3.35Å; K645-D647 IonicContact NZ-OD1 3.92Å; K645-D647 PolarHBondContact NZ-OD1 3.49Å; K645-D647 IonicContact NZ-OD2 2.68Å; K645-D647 PolarHBondContact NZ-OD2 3.04Å
646P34.3Very low29Very low126 Ų126140 Ų14082%0.81879%0.794SS**  -151.1171.5128.139.1-23.5000115.5
647D31.7Very low29.1Very low94 Ų94141.1 Ų141.150%0.50379%0.791SS.*  -151-80.4-60.4-128-80.3000116K645K645-D647 WeakPolarHBondContact CD-OD2 3.17Å; K645-D647 WeakPolarHBondContact CE-OD2 3.36Å; K645-D647 WeakPolarHBondContact CG-OD2 3.35Å; K645-D647 IonicContact NZ-OD1 3.92Å; K645-D647 PolarHBondContact NZ-OD1 3.49Å; K645-D647 IonicContact NZ-OD2 2.68Å; K645-D647 PolarHBondContact NZ-OD2 3.04Å
648I28.5Very low29.3Very low146 Ų146143.5 Ų143.575%0.74979%0.792SS**  trans-148.9143.1-152.8-78.7169.5000109.1
649P30.8Very low29.5Very low126 Ų126138.1 Ų138.182%0.81879%0.787SS**  -152.7171.276.542.1-20.2000121.3
650F25.9Very low29.4Very low171 Ų171138.3 Ų138.375%0.7579%0.788SS**  trans-68.2155.6176.2-126.9-115.8000114.3L652F650-L652 HydrophobicContact CD1-CD1 4.18Å; F650-L652 HydrophobicContact CD1-CG 3.96Å; F650-L652 HydrophobicContact CE1-CD1 3.97Å; F650-L652 HydrophobicContact CE1-CD2 4.43Å; F650-L652 HydrophobicContact CE1-CG 3.85Å
651I29Very low29.2Very low157 Ų157137.6 Ų137.681%0.80578%0.783SS**  trans-134.4129.8150.5-63.8-177000109
652L24.7Very low29.1Very low137 Ų137146.1 Ų146.172%0.71779%0.794SS**  trans-106.6134.9165.7-86161.6000108.8F650F650-L652 HydrophobicContact CD1-CD1 4.18Å; F650-L652 HydrophobicContact CD1-CG 3.96Å; F650-L652 HydrophobicContact CE1-CD1 3.97Å; F650-L652 HydrophobicContact CE1-CD2 4.43Å; F650-L652 HydrophobicContact CE1-CG 3.85Å
653T30.5Very low28.8Very low134 Ų134145.6 Ų145.682%0.82279%0.791SS**  trans-137.5116.4161.536.50000110.2
654T25.8Very low28.6Very low139 Ų139143.4 Ų143.485%0.85379%0.789SS**  trans-95.4134.4172.450.10000110
655S29.9Very low28.3Very low123 Ų123144.1 Ų144.186%0.8678%0.783SS**  trans-146.5132.1152.4-166.70000109.8
656S27.1Very low28.1Very low106 Ų106146.4 Ų146.474%0.74179%0.787SS**  trans-95151.6176.8510000110.5
657M29.9Very low27.8Very low174 Ų174146.4 Ų146.486%0.85779%0.785SS**  trans-158.6158.5145.9-98-91.692.800108.2
658T31Very low27.6Very low118 Ų118147.2 Ų147.272%0.72480%0.798SS**  trans-91.6160.5-15532.30000115.2
659P30.4Very low27.5Very low128 Ų128147.1 Ų147.183%0.83180%0.795SS**  trans-78.8156.3-168.932.6-37.3000113.4
660S28.4Very low27.4Very low122 Ų122149.7 Ų149.785%0.85380%0.796SS**  trans-133129.5160.5-1700000110.6
661S25.9Very low27.6Very low104 Ų104148 Ų14873%0.72779%0.793SS**  trans-84.8134.2-173.653.90000112.2
662R26.6Very low27.4Very low248 Ų248147.4 Ų147.494%0.93679%0.79SS**  trans-149.192.6147.9-112.9164.1-159.6-164.13.9112.3
663I25.1Very low27.5Very low150 Ų150145.8 Ų145.877%0.76979%0.791SS**  trans-55.6134.7159.1-65158.7000108.3
664N26.1Very low27.5Very low151 Ų151146.7 Ų146.781%0.80780%0.796SS**  trans-159.3154.9136.8-104-29.9000112.8
665R23.9Very low27.7Very low218 Ų218147.7 Ų147.782%0.82380%0.796SS**  trans-136.9127.6-161.7175.3-166.9-163.6162.35108
666W25.5Very low27.6Very low203 Ų203148 Ų14877%0.76979%0.792SS**  trans-122.7150.4177.9-78.486000112
667T28.1Very low27.8Very low126 Ų126150.7 Ų150.777%0.77380%0.799SS**  trans-133174.7-175.445.60000110.3
668S27.1Very low27.7Very low111 Ų111153.3 Ų153.378%0.77680%0.799SS**  trans-76.3168.6-157.4-44.10000118.3
669E26.6Very low27.6Very low144 Ų144159.9 Ų159.967%0.67381%0.81SS**  trans85.5120.6152.9-65.1-160.3-145.800121.3S463S463-E669 PolarHBondContact OG-OE1 2.99Å
670Q28.2Very low27.5Very low180 Ų180159.3 Ų159.384%0.84181%0.809SS**  trans-176.3152.9149.2-99.2-175.624.500105.9
671I29.9Very low27.7Very low136 Ų136159.5 Ų159.570%0.69781%0.811SS**  cis-149.7169.5-3.7-140.6165.3000108.8
672L25.6Very low27.8Very low143 Ų143160.9 Ų160.975%0.74982%0.815SS**  trans-132.3122.8168.9-92.5177.9000111L466L466-L672 HydrophobicContact CD2-CD1 4.3Å
673S26.5Very low28.1Very low104 Ų104155.8 Ų155.873%0.72781%0.812SS**  trans178.4125.9155.755.20000113.2
674V30.9Very low28.1Very low153 Ų153154.8 Ų154.893%0.92782%0.818SS**  trans-145.7143.8139.1178.30000108.4
675N29.3Very low28.4Very low159 Ų159153.5 Ų153.585%0.8582%0.82SS**  trans-72.4162.7-168.7-122.6-29.7000115.9
676V27.8Very low28.5Very low129 Ų129151.8 Ų151.878%0.78282%0.822SS**  trans-91.9137.5164.8171.80000109.7
677N30.7Very low28.5Very low164 Ų164149.8 Ų149.888%0.87783%0.825SS**  trans-153.4157.2150.5-130.1-33.9000113.8
678R27.9Very low28.3Very low229 Ų229148.9 Ų148.986%0.86482%0.823SS**  trans-98152.5-168.9-61174.4173.2174-2.8113.4
679R29.5Very low28.3Very low256 Ų256151.3 Ų151.397%0.96683%0.827SS**  -166.4168.9108.8-104.8176.9-171.9-150.42.1112.1
680S27.3Very low28.4Very low115 Ų115151.5 Ų151.580%0.80483%0.828SS**  trans-135.8136.1-163.553.70000112.4
681S32.3Very low28.5Very low127 Ų127150.5 Ų150.589%0.88882%0.823SS**  trans-156.3145.3159.750.70000110.7
682T29.2Very low28.3Very low132 Ų132149.2 Ų149.281%0.8182%0.824SS**  trans-91.6143.7-175.348.10000113.1
683T31.8Very low28.5Very low142 Ų142152.4 Ų152.487%0.87183%0.826SS**  -173.9155120.827.30000110.2
684S26.3Very low28.7Very low128 Ų128156.3 Ų156.390%0.89583%0.833SS**  trans-115.1122.3-178-56.10000111.9
685S31.9Very low28.7Very low124 Ų124158 Ų15887%0.86783%0.828SS**  trans-156.5168.2159.253.20000110.2
686E25.9Very low28.7Very low182 Ų182161.3 Ų161.385%0.8583%0.828SS**  trans-80.1176.6-162.4-58170.6104.900115.1
687I26.2Very low29Very low161 Ų161162.9 Ų162.983%0.82683%0.827SS**  trans84.2111.4162.7-56.5167.6000117.2
688S24.1Very low29.2Very low107 Ų107164.6 Ų164.675%0.74883%0.827SS**  trans10.5120.1143.5173.10000119.5
689L26.3Very low29.3Very low162 Ų162159 Ų15985%0.84882%0.822SS**  trans-160.7170.5142-109.5159000113.2
690E29Very low29.6Very low149 Ų149151.9 Ų151.970%0.69681%0.81SS**  trans-71160.5-160.5-62.6173.2138.200117
691Q29.3Very low29.8Very low159 Ų159151.2 Ų151.274%0.74381%0.805SS**  trans-87.2118.5158.8-75.4-73.6-63.600109.8
692P27.1Very low29.7Very low109 Ų109154.3 Ų154.371%0.70880%0.802SS**  trans-101.4106.4-169.135.4-32.1000114.5
693W29.7Very low29.9Very low210 Ų210155 Ų15580%0.79580%0.8SS**  trans-15316.5156.559.878.3000116.7
694Q30Very low29.9Very low186 Ų186155.4 Ų155.487%0.86979%0.791SS**  trans-131.397.3169.4-71.9-162.6-33.600112.6
695K30.8Very low30.1Very low189 Ų189156.8 Ų156.882%0.82278%0.784SS**  trans-131144.3161.3-89.9-178.5177.9169.70109
696R29.8Very low30.1Very low227 Ų227158 Ų15886%0.85778%0.776SS**  trans69142.5-171.2-57.6-179.4178.1-155.72.6113.3
697E33.8Very low30.3Very low163 Ų163155.1 Ų155.176%0.76277%0.771SS**  cis-130.6161.37.6-131.6128.5-119.500112.5
698K34.1Very low30.6Very low200 Ų200152.4 Ų152.487%0.8776%0.761SS**  trans-114.9120.3174.3-75.7-175.7177.8179.90110.2
699S30.1Very low31.2Very low110 Ų110155.6 Ų155.677%0.76976%0.762SS**  14.9155.4126.6-47.10000120.5
700P36.4Very low31.4Very low108 Ų108157.6 Ų157.670%0.70176%0.764SS**  cis-148.6171-3239.3-21.1000116.6
701S31.5Very low31.7Very low100 Ų100154 Ų15470%0.69977%0.767SS**  trans71137.8139.3680000123.8
702K31Very low31.7Very low193 Ų193153.1 Ų153.184%0.83977%0.767SS**  trans72108.4144.6-84.6-170.6172.8-168.50119.7
703I32.7Very low32Very low147 Ų147158 Ų15875%0.75477%0.773SS**  -175.4133.699.3-94.4158.9000110.7
704E31Very low32Very low149 Ų149153.4 Ų153.470%0.69677%0.772SS**  trans36.9139150.5-63.4169.5156.400124.6
705Q30.9Very low32.2Very low157 Ų157148.3 Ų148.373%0.73477%0.77SS**  trans67.1149.1137.9-71168.421.800119.2
706E32.2Very low32.1Very low150 Ų150146 Ų14670%0.70177%0.772SS**  cis-163.4143.7-16.5-129.7-173.3173.600111.3
707T31.1Very low32.1Very low122 Ų122138.7 Ų138.775%0.74877%0.767SS**  trans63170.8156.680.20000117.6
708V32.5Very low32Very low104 Ų104137.8 Ų137.863%0.6377%0.766SS**  cis-158.4150.3-11104.20000112.2
709K35.2Very low31.7Very low173 Ų173135.7 Ų135.775%0.75277%0.765SS**  trans56.2120.7157.5-67.9166.3-159.9166.90119.8
710K32.3Very low31.9Very low205 Ų205135.5 Ų135.589%0.89176%0.763SS**  73134.195.2-71-167.1167-162.50116.5
711G33.2Very low31.7Very low74 Ų74135.3 Ų135.376%0.76377%0.765SS**  trans169.2114.4163.700000111.4
712D30.9Very low31.8Very low139 Ų139138 Ų13874%0.74377%0.769SS**  trans-99.4-176.9-177.5-59.3-78.2000112.4
713Y33.8Very low31.8Very low212 Ų212136.2 Ų136.283%0.83177%0.769SS**  trans94109.5162.9-63.2-79000121.1
714S29.7Very low31.9Very low113 Ų113132.1 Ų132.179%0.7976%0.763SS**  trans3.6135.313656.20000120.8
715G32.6Very low31.9Very low79 Ų79132.4 Ų132.481%0.81477%0.769SS**  trans-162.4135.9161.300000112.8
716T29.7Very low31.8Very low140 Ų140131.8 Ų131.886%0.85977%0.769SS**  trans-96127-17146.20000115.4
717G28.8Very low31.9Very low74 Ų74130.8 Ų130.876%0.76377%0.773SS**  88.8-170.2127.600000121.4
718I31.5Very low31.7Very low145 Ų145135.8 Ų135.874%0.74478%0.778SS**  trans80.7102.4164.5-47.6177.8000118.7
719N29Very low31.8Very low156 Ų156138.1 Ų138.183%0.83479%0.787SS**  trans55.7174.2147.1-49.9-14.3000118.4
720S33.9Very low31.6Very low106 Ų106136.4 Ų136.474%0.74179%0.786SS**  cis-152.4132.22.652.10000109.1
721S31.4Very low31.7Very low104 Ų104134.6 Ų134.673%0.72778%0.78SS**  85.7169.693.6-155.90000116
722I34.5Very low31.6Very low155 Ų155136.8 Ų136.880%0.79578%0.779SS**  trans76.3138.2176-51.7171000115.3
723D30.9Very low31.7Very low156 Ų156137.7 Ų137.783%0.83478%0.783SS**  cis-172.4160.4-41.3-120.1-53.8000109.4
724G34.2Very low31.9Very low62 Ų62133.7 Ų133.764%0.63978%0.78SS**  trans149.593.7163.400000121.2
725L32.5Very low32.2Very low154 Ų154133.8 Ų133.881%0.80678%0.779SS**  trans45.8112.3140.1-50.7178.4000120
726I28.8Very low32.8Very low145 Ų145136.1 Ų136.174%0.74478%0.779SS**  65.9117.477.7-61.7171000112
727T33.8Very low33Very low129 Ų129134.8 Ų134.879%0.79177%0.773SS**  -160.9164.663.8-31.70000115.2
728R27.5Very low33.1Very low226 Ų226138.8 Ų138.885%0.85378%0.776SS**  trans-52.4177.4-176.4-63.5172163.8160.9-6.6121.5
729L32.9Very low33Very low153 Ų153136.6 Ų136.680%0.80177%0.773SS**  trans97.9140.3160.1-57.4173.4000116.1
730D31.7Very low33Very low137 Ų137135.4 Ų135.473%0.73377%0.772SS**  cis-163179.8-30.9-143.2-37.4000109.6
731E33.6Very low32.9Very low167 Ų167137 Ų13778%0.7878%0.778SS**  trans62.5107.2166.7-62.8-176.5155.600118
732T32.3Very low32.8Very low120 Ų120135.8 Ų135.874%0.73677%0.774SS**  54127.985.768.30000114.7
733L32.7Very low32.7Very low158 Ų158136 Ų13683%0.82778%0.777SS**  cis-14614633.9-67.5143.8000109.6
734V38.8Very low32.5Very low128 Ų128134.1 Ų134.178%0.77677%0.77SS**  61119.367-173.10000115.2
735P35.9Very low32.1Very low116 Ų116141.9 Ų141.975%0.75378%0.781SS**  trans-98158.2179.638.3-35.1000114.7
736P43.5Very low31.9Very low127 Ų127140.5 Ų140.583%0.82577%0.774SS**  trans-108.5145.5-179.438.1-32000115.6
737P35.8Very low31.8Very low112 Ų112140.8 Ų140.873%0.72778%0.775SS**  trans-115.3160.5161.738.7-29.8000114.1
738L30Very low31.6Very low159 Ų159140.2 Ų140.283%0.83277%0.774SS**  trans65.4133.1150.9-74.2163.3000123.3
739S29.4Very low31.5Very low98 Ų98136.2 Ų136.269%0.68577%0.769SS**  trans71.4111.7137.760.20000124.4
740T29Very low31.3Very low131 Ų131139.9 Ų139.980%0.80477%0.774SS**  69.4108.2116.6-46.70000122.9
741T31.2Very low31.1Very low140 Ų140137.4 Ų137.486%0.85977%0.768SS**  trans-152.2126.113136.10000107.3
742A29.4Very low31Very low79 Ų79136.5 Ų136.565%0.65377%0.768SS**  92.598.358.200000113.4
743N32.2Very low30.5Very low160 Ų160140.9 Ų140.986%0.85677%0.773SS**  trans-178.584.2163.4-91.4-29.9000106.7
744V27Very low30.5Very low115 Ų115139.4 Ų139.470%0.69777%0.773SS**  53.3105.287.5-175.40000113.2
745W27Very low30Very low225 Ų225138.9 Ų138.985%0.85277%0.77SS**  -171.9109.9123.7-103.398.5000111.4
746N28.6Very low29.7Very low126 Ų126139.5 Ų139.567%0.67477%0.771SS**  trans26.7129.1159.4-59.8-7.7000123.6
747I25Very low29.1Very low150 Ų150139 Ų13977%0.76977%0.765SS**  trans-72.4153.5153.4-50.3158.6000108.8
748P29.7Very low28.8Very low117 Ų117140.2 Ų140.276%0.7677%0.766SS**  -137.7137.6117.234.9-23.7000113.9
749N26Very low29Very low142 Ų142137.8 Ų137.876%0.75976%0.762SS**  trans-68.2144151.8-67-47.3000107.9
750Y29.1Very low29.2Very low230 Ų230139.2 Ų139.290%0.90276%0.762SS**  trans-157.5157137.5-103.5-64.5000111.1
751S27.2Very low29.5Very low86 Ų86142 Ų14260%0.60176%0.764SS**  trans-104.4177.9179.662.90000111.9
752N30.6Very low29.8Very low147 Ų147140.2 Ų140.279%0.78675%0.754SS**  trans97.7139.5161-49.5-20000117.3
753Y23.5Very low30Very low213 Ų213143.6 Ų143.684%0.83576%0.76SS**  trans-66.7162.8165.1-68.8-102.3000110.8
754P32.8Very low30.1Very low127 Ų127142.5 Ų142.583%0.82575%0.754SS**  -135.4-175.510339-29.5000114
755T27Very low30.4Very low117 Ų117141.4 Ų141.472%0.71875%0.752SS**  trans-128.9171.8-166.7-39.80000111.2
756V29.8Very low30.8Very low129 Ų129135.4 Ų135.478%0.78274%0.744SS**  trans88.9142.6154.3-144.70000119.8
757V31.6Very low31Very low115 Ų115135.9 Ų135.970%0.69775%0.745SS**  trans111.197.1149.6-168.10000119.5
758N29.4Very low31.4Very low138 Ų138139.6 Ų139.674%0.73875%0.751SS**  trans45.4140.7134.8-58.1-8.4000125.6
759S33.4Very low31.5Very low108 Ų108139 Ų13976%0.75575%0.749SS**  124.4144.8122.2740000116.6
760N34.2Very low32.2Very low129 Ų129137.5 Ų137.569%0.6975%0.748SS**  cis-166.8174-27.3-105.1-13.6000110.6
761F35.1Very low32.4Very low190 Ų190133 Ų13383%0.83374%0.744SS**  trans82.5148.1160.6-71.1-64.4000119.6
762P36.8Very low32.7Very low101 Ų101133.9 Ų133.966%0.65675%0.75SS**  -147.9-129.1-124.641.4-15.4000114.7
763I34.6Very low32.9Very low150 Ų150130.8 Ų130.877%0.76974%0.74SS**  trans84.9128170.2-61.3161.2000113.5
764N34Very low33.4Very low138 Ų138127.4 Ų127.474%0.73874%0.737SS**  cis-153.7169.44.8-144.8-9.8000114.4
765S33.6Very low33.5Very low92 Ų92128.8 Ų128.864%0.64373%0.734SS**  trans32.9144.5144.162.50000122.7
766S34.9Very low33.7Very low98 Ų98127.1 Ų127.169%0.68573%0.727SS**  cis-173.4142.16.736.70000114.8
767I33.5Very low34Very low136 Ų136126.5 Ų126.570%0.69772%0.723SS**  trans52.2110.1132.9-46.7162.8000119.8
768Y33.7Very low34Very low228 Ų228129.1 Ų129.189%0.89473%0.728SS**  -162.4160.2102-115.7-76.2000112.4
769S30.7Very low34.3Very low104 Ų104126.3 Ų126.373%0.72772%0.719SS**  trans-123.5170.7-154.5-62.30000115
770P40.6Very low34.4Very low112 Ų112129.5 Ų129.573%0.72772%0.722SS**  trans-114.3-145.3-16444-33.7000114.4
771T33.2Very low34.5Very low136 Ų136129 Ų12983%0.83472%0.719SS**  trans78160.2-178.6810000114.1
772S34.5Very low34.6Very low104 Ų104125.1 Ų125.173%0.72771%0.712SS**  cis-157.6176.61.699.20000107.9
773S33.3Very low34.4Very low81 Ų81129.1 Ų129.157%0.56672%0.719SS**  cis-176.4175.7-21.252.40000108.7
774N34.8Very low34.2Very low143 Ų143127.2 Ų127.277%0.76572%0.717SS**  trans68.1159.6158.9-65.5-11.5000118.1
775M33.9Very low34.1Very low156 Ų156125 Ų12577%0.76871%0.712SS**  cis-156.9155.6-4.1-127.9173.7139.500113.3
776S32.9Very low34Very low81 Ų81128.6 Ų128.657%0.56672%0.719SS**  trans64.3140.4141.1-57.60000124.7
777T34.9Very low33.9Very low116 Ų116129 Ų12971%0.71272%0.717SS**  trans46.5136.8137.6590000120.8
778E32Very low33.6Very low171 Ų171128.2 Ų128.280%0.79972%0.719SS**  cis-175.4-175.7-6.4-123.5-178100.400107.3
779S35Very low33.4Very low78 Ų78125.6 Ų125.655%0.54571%0.712SS.*  cis-160.6170-747.60000109.1
780Q37.1Very low33.2Very low176 Ų176126.3 Ų126.382%0.82271%0.712SS**  trans60.1147.1155.1-77.9179.91.900119.4
781D35.2Very low32.6Very low118 Ų118126.3 Ų126.363%0.63172%0.715SS**  cis-156.9157-11.6-140.6-30.7000113
782T36.5Very low32.6Very low109 Ų109124.8 Ų124.867%0.66971%0.71SS**  trans59.1146.4163.165.60000119.7
783K33.6Very low32.2Very low185 Ų185125.4 Ų125.480%0.80471%0.714SS**  cis-154.1142.2-0.7-123.2162.4-172.81720111.2
784C30.7Very low32.2Very low109 Ų109126.6 Ų126.674%0.73673%0.73SS**  trans42.2119.2137-89.90000120.8
785S31.1Very low31.8Very low91 Ų91125 Ų12564%0.63673%0.729SS**  86.5146.568.9-70.30000113.5
786Q32.5Very low31.7Very low168 Ų168125.9 Ų125.979%0.78574%0.736SS**  cis-164.6170.7-2.8-117.9166.8-1100111.8
787T31.6Very low31.4Very low106 Ų106127.2 Ų127.265%0.6575%0.746SS**  trans39.2112.5145-45.50000119.3
788V27.5Very low31.5Very low120 Ų120127 Ų12773%0.72775%0.746SS**  82.314352.9-174.20000114.8
789F30.2Very low31.4Very low173 Ų173122.7 Ų122.776%0.75974%0.74SS**  trans99.890.2171.3-66.5-68000121.4
790T26.6Very low31.2Very low119 Ų119125.3 Ų125.373%0.7375%0.752SS**  27.6124.512658.20000121.7
791S27.8Very low30.9Very low112 Ų112126.8 Ų126.878%0.78376%0.756SS**  163166.895.556.50000114.5
792S31.8Very low30.7Very low104 Ų104126.7 Ų126.773%0.72776%0.762SS**  trans58.290.3157.2-58.70000121.6
793S28.1Very low30.2Very low117 Ų117129.5 Ų129.582%0.81877%0.771SS**  29.5115.8124.960.30000121.6
794A32.3Very low30Very low107 Ų107129.2 Ų129.288%0.88477%0.773SS**  trans-157.3158.1132.500000110.6
795S25.9Very low30Very low108 Ų108131.9 Ų131.976%0.75578%0.778SS**  trans-87.3139.6178.5540000112.8
796L32.2Very low29.9Very low176 Ų176135.2 Ų135.292%0.92179%0.787SS**  trans178.4169.3135.5-96.4157.6000112
797S27.3Very low29.5Very low109 Ų109138.6 Ų138.676%0.76279%0.793SS**  trans-82.1-178173.3-141.30000110.5
798P36.9Very low29.4Very low112 Ų112139.1 Ų139.173%0.72780%0.801SS**  cis-149.8-163.612.141.8-17.7000117.4
799A30.5Very low29.4Very low80 Ų80141.4 Ų141.466%0.66180%0.803SS**  trans66.4111.1136.600000123.6
800T29.8Very low29.4Very low132 Ų132139.3 Ų139.381%0.8181%0.809SS**  trans29.2139.3131.845.20000123.4
801K31Very low29.5Very low207 Ų207139.3 Ų139.390%0.980%0.804SS**  -154.6141.1121.5-107.7158.1-171.9175.20112.4
802P30.1Very low29.8Very low116 Ų116143.6 Ų143.675%0.75381%0.809SS**PPolyproline II helixtrans-99.8165-176.938.6-35.3000113.9
803I27.9Very low29.7Very low168 Ų168145.1 Ų145.186%0.86281%0.809SS**PPolyproline II helixtrans-95.8134.1169.3-64175.6000109.7
804Q28.5Very low30Very low179 Ų179145.6 Ų145.684%0.83680%0.802SS**PPolyproline II helixtrans-89.3146.3177.4-64.7172.1-50.600111.7
805I30.9Very low30.1Very low166 Ų166148.5 Ų148.585%0.85180%0.795SS**  trans-129.3137.6155.3-63.5-177.5000107.4
806I29.2Very low30.5Very low160 Ų160149.6 Ų149.682%0.82180%0.803SS**  trans-78.6143.2-163.4-62.4164.6000111.7
807R24.4Very low30.6Very low240 Ų240145 Ų14591%0.90680%0.798SS**  trans-116.2132.6159-90.8-177167.4-178.2-5.9109
808S29.3Very low30.8Very low117 Ų117146.1 Ų146.182%0.81880%0.799SS**  trans-86.6148.9157.647.40000110
809Q26.5Very low30.6Very low167 Ų167148.6 Ų148.678%0.7881%0.807SS**  trans-96.6154.3164.7-76.8176.1-106.400109.9
810C29.9Very low30.5Very low130 Ų130147.7 Ų147.788%0.87881%0.805SS**  trans-152.3129.7142.3-1530000107.7
811D29.1Very low30.4Very low118 Ų118151.7 Ų151.763%0.63181%0.807SS**  trans-90.7154.9-170.3-50-69.9000112.5
812K34.9Very low30.2Very low202 Ų202152.9 Ų152.988%0.87881%0.807SS**  -175.4153118.7-97.4153.3-171.1176.30114.4
813N29.5Very low30.2Very low137 Ų137156.8 Ų156.873%0.73381%0.808SS**  trans-41.2160.3170-48.8-25.4000113.5
814D34.6Very low30Very low126 Ų126155.5 Ų155.567%0.67480%0.803SS**  -155.6-163.653-124.6-62.6000116.2
815K33.9Very low29.9Very low168 Ų168154.1 Ų154.173%0.7380%0.801SS**  trans-98168.3-150.7-60.8160.5-164.795.30117.5
816S35Very low29.7Very low132 Ų132150.6 Ų150.692%0.92379%0.787SS**  trans87.7154.7148.9810000119.8
817G32.8Very low29.4Very low79 Ų79148.3 Ų148.381%0.81479%0.785SS**  trans121.7100.7173.800000114.3
818V32.3Very low29.5Very low132 Ų132144 Ų14480%0.878%0.778SS**  trans-100.9157.7-175.7166.90000112.3
819D31.8Very low29.4Very low165 Ų165147.5 Ų147.588%0.88278%0.778SS**  trans76129.2168.8-74.7-27.7000120.8
820G28.5Very low29.3Very low61 Ų61149 Ų14963%0.62978%0.782SS**  trans149.4110161.200000116.4
821Y29.5Very low29.2Very low216 Ų216147.3 Ų147.385%0.84777%0.769SS**  trans61.3105.5161-55.7-79000119.4Y823Y821-Y823 VanDerWaalsContact C-N 3.27Å; Y821-Y823 PolarHBondContact O-N 2.86Å
822Y26Very low29Very low231 Ų231151.1 Ų151.191%0.90678%0.776SS**  trans-7074.9163-82.9-89000112.6L824Y822-L824 PolarHBondContact O-N 3.13Å
823Y29Very low28.8Very low198 Ų198148.7 Ų148.778%0.77677%0.772SS**  trans-80.4104.7149.9-90.5-86.2000108.2Y821 N825Y821-Y823 VanDerWaalsContact C-N 3.27Å; Y821-Y823 PolarHBondContact O-N 2.86Å; Y823-N825 PolarHBondContact O-N 3.02Å
824L25.4Very low28.6Very low141 Ų141149.5 Ų149.574%0.73877%0.771SS**  trans-72.171.7172.4-96.2165.4000110.7Y822 V826Y822-L824 PolarHBondContact O-N 3.13Å; L824-V826 HydrophobicContact CB-CG2 4.22Å; L824-V826 HydrophobicContact CD2-CG2 3.68Å; L824-V826 PolarHBondContact O-N 2.98Å
825N25.5Very low28.3Very low151 Ų151146 Ų14681%0.80776%0.757SS**  trans-67.365.8160.9-92-34.8000109.3Y823 S827Y823-N825 PolarHBondContact O-N 3.02Å; N825-S827 PolarHBondContact O-N 2.79Å
826V25.7Very low28.1Very low91 Ų91140.8 Ų140.855%0.55274%0.739SS**  trans-67.1103.7170.6-173.60000107L824 M828L824-V826 HydrophobicContact CB-CG2 4.22Å; L824-V826 HydrophobicContact CD2-CG2 3.68Å; L824-V826 PolarHBondContact O-N 2.98Å; V826-M828 HydrophobicContact CB-CG 4.28Å; V826-M828 HydrophobicContact CG1-CG 3.51Å; V826-M828 PolarHBondContact O-N 3.47Å
827S23.9Very low28Very low113 Ų113138.7 Ų138.779%0.7971%0.714SS**  trans-67.677.1167.6-167.40000108.8N825 K829N825-S827 PolarHBondContact O-N 2.79Å; S827-K829 VanDerWaalsContact C-N 3.28Å; S827-K829 PolarHBondContact O-N 2.87Å
828M26.4Very low28.2Very low150 Ų150136 Ų13674%0.73968%0.683SS**  trans-69.588.6177.5-81.2-149.4-90.600109.3V826 K830V826-M828 HydrophobicContact CB-CG 4.28Å; V826-M828 HydrophobicContact CG1-CG 3.51Å; V826-M828 PolarHBondContact O-N 3.47Å; M828-K830 PolarHBondContact O-N 3.33Å
829K26.7Very low28.4Very low190 Ų190136.1 Ų136.183%0.82668%0.677SS**  trans-43.5123.5154.7-67.9178.9178.31770107.7S827 P831S827-K829 VanDerWaalsContact C-N 3.28Å; S827-K829 PolarHBondContact O-N 2.87Å; K829-P831 WeakPolarHBondContact O-CD 3.49Å
830K25.4Very low28.8Very low198 Ų198130.7 Ų130.786%0.86165%0.648SS**  trans-45.5113.9-177.3-70.4-178175.5-176.90111M828 Y832M828-K830 PolarHBondContact O-N 3.33Å; K830-Y832 PolarHBondContact O-N 3.39Å
831P27.6Very low29.1Very low94 Ų94131.1 Ų131.161%0.6164%0.636SS**  trans-68.3127.9165.4-13.529.6000107.8K829K829-P831 WeakPolarHBondContact O-CD 3.49Å
832Y24.9Very low29.1Very low198 Ų198131.1 Ų131.178%0.77664%0.636SS**  trans-60139.8164.2-90.3-117.1000109.1K830K830-Y832 PolarHBondContact O-N 3.39Å
833L29.3Very low29.5Very low152 Ų152123.8 Ų123.880%0.79662%0.615SS**  trans-148.585.2158.4-144.479.9000108
834E26.7Very low29.8Very low153 Ų153119.3 Ų119.372%0.71560%0.597SS**  trans-73.6174.5158.2-69.9165.2120.800108.9
835S27.3Very low30.1Very low54 Ų54123.2 Ų123.238%0.37860%0.602SS.*SBendtrans78148.4-167.376.70000116.1
836V30.9Very low30.5Very low57 Ų57121 Ų12135%0.34559%0.589SS.*  trans6161.4-173.8-157.20000115.2I29 E34I29-V836 HydrophobicContact CB-CG2 4.49Å; I29-V836 HydrophobicContact CD1-CG2 3.6Å; I29-V836 HydrophobicContact CG1-CG2 3.62Å; I29-V836 HydrophobicContact CG2-CG2 4.16Å; E34-V836 PolarHBondContact OE1-N 3.11Å
837Q32.5Very low30.9Very low88 Ų88121.3 Ų121.341%0.41159%0.593SS.*  trans-130.5109.2169.1-74.1-72.7-4.300112.5I839 D841Q837-I839 PolarHBondContact O-N 2.89Å; Q837-D841 HydrophobicContact CB-CB 4.31Å; Q837-D841 VanDerWaalsContact CB-OD1 3.31Å; Q837-D841 WeakPolarHBondContact CB-OD1 3.03Å; Q837-D841 WeakPolarHBondContact CG-OD1 3.01Å; Q837-D841 PolarHBondContact OE1-OD1 3.38Å; Q837-D841 VanDerWaalsContact OE1-OD1 3.08Å
838P36.4Very low31.3Very low23 Ų23122.1 Ų122.115%0.14960%0.599CS.*  trans-82.3104.5174.33.513.7000111V164 Y165 N840V164-P838 HydrophobicContact CB-CG 3.9Å; V164-P838 HydrophobicContact CG1-CG 4.49Å; V164-P838 HydrophobicContact CG2-CB 3.96Å; V164-P838 HydrophobicContact CG2-CG 3.32Å; Y165-P838 HydrophobicContact CE1-CG 4.21Å; P838-N840 PolarHBondContact O-N 3.27Å
839I37.6Very low31.7Very low134 Ų134119.2 Ų119.269%0.68759%0.589SS**SBendtrans63.7-19.1155-69174000118.3Q837Q837-I839 PolarHBondContact O-N 2.89Å
840N39.9Very low32Very low52 Ų52115.1 Ų115.128%0.27858%0.582SS.*G310 helixtrans-81.4-11177.3-80.9-49.6000114.5P838 Y842 V843P838-N840 PolarHBondContact O-N 3.27Å; N840-Y842 VanDerWaalsContact C-N 3.28Å; N840-Y842 PolarHBondContact O-N 3.25Å; N840-V843 PolarHBondContact O-N 3.49Å; N840-V843 VanDerWaalsContact O-N 3.11Å
841D33.5Very low32.6Very low69 Ų69114.3 Ų114.337%0.36957%0.573SS.*G310 helixtrans-66.4-21.2-170.4-101.844.2000115.9Q837 V843 R844Q837-D841 HydrophobicContact CB-CB 4.31Å; Q837-D841 VanDerWaalsContact CB-OD1 3.31Å; Q837-D841 WeakPolarHBondContact CB-OD1 3.03Å; Q837-D841 WeakPolarHBondContact CG-OD1 3.01Å; Q837-D841 PolarHBondContact OE1-OD1 3.38Å; Q837-D841 VanDerWaalsContact OE1-OD1 3.08Å; D841-V843 PolarHBondContact O-N 2.84Å; D841-V843 VanDerWaalsContact O-N 3.08Å; D841-R844 PolarHBondContact O-N 3.42Å; D841-R844 VanDerWaalsContact O-N 3.1Å; D841-R844 WeakPolarHBondContact OD1-CD 2.93Å; D841-R844 IonicContact OD1-CZ 2.89Å; D841-R844 IonicContact OD1-NE 3.65Å; D841-R844 PolarHBondContact OD1-NE 3.26Å
842Y29.6Very low32.9Very low216 Ų216115 Ų11585%0.84758%0.581SS**G310 helixtrans-64.6-13.4174.5-141.4-88.2000113.1N840N840-Y842 VanDerWaalsContact C-N 3.28Å; N840-Y842 PolarHBondContact O-N 3.25Å
843V36.1Very low33.1Very low77 Ų77114.6 Ų114.647%0.46758%0.583SS.*G310 helixtrans-94.3-21.6176.4-171.60000112.4N840 D841 R845N840-V843 PolarHBondContact O-N 3.49Å; N840-V843 VanDerWaalsContact O-N 3.11Å; D841-V843 PolarHBondContact O-N 2.84Å; D841-V843 VanDerWaalsContact O-N 3.08Å; V843-R845 PolarHBondContact O-N 3.05Å
844R34.9Very low33.2Very low105 Ų105112.3 Ų112.340%0.39657%0.57SS.*THydrogen-bonded Turntrans-72.1-10-172.4-65.7-171.9-169.4-87.410.9114.9E209 D841 I846E209-R844 VanDerWaalsContact CD-NH1 3.28Å; E209-R844 IonicContact OE1-CZ 3.59Å; E209-R844 IonicContact OE1-NH1 2.77Å; E209-R844 PolarHBondContact OE1-NH1 3.44Å; E209-R844 IonicContact OE1-NH2 3.21Å; E209-R844 PolarHBondContact OE1-NH2 2.65Å; E209-R844 IonicContact OE2-NH1 2.8Å; E209-R844 PolarHBondContact OE2-NH1 3.42Å; D841-R844 PolarHBondContact O-N 3.42Å; D841-R844 VanDerWaalsContact O-N 3.1Å; D841-R844 WeakPolarHBondContact OD1-CD 2.93Å; D841-R844 IonicContact OD1-CZ 2.89Å; D841-R844 IonicContact OD1-NE 3.65Å; D841-R844 PolarHBondContact OD1-NE 3.26Å; R844-I846 VanDerWaalsContact C-N 3.32Å; R844-I846 PolarHBondContact O-N 2.71Å
845R31.3Very low33.3Very low223 Ų223113.2 Ų113.284%0.84258%0.578SS**THydrogen-bonded Turntrans-89.523.3-171.7-127.2-175.5-69.1-146.80.3115.3V843V843-R845 PolarHBondContact O-N 3.05Å
846I32.9Very low33.5Very low105 Ų105118.2 Ų118.254%0.53860%0.597SS.*  trans-112.6102.1173.4-58.2180000109.6R844 I854R844-I846 VanDerWaalsContact C-N 3.32Å; R844-I846 PolarHBondContact O-N 2.71Å; I846-I854 HydrophobicContact CD1-CD1 4.46Å
847P34Very low33.5Very low97 Ų97124.4 Ų124.463%0.6362%0.62SS**  trans-61.6171.5168-21.634000112.4V849P847-V849 PolarHBondContact O-N 3.26Å
848S34.3Very low33.4Very low130 Ų130126.4 Ų126.491%0.90964%0.64SS**SBendtrans-67.371.8179.255.60000113.5
849V34.6Very low33.2Very low88 Ų88131 Ų13153%0.53367%0.668SS.*  trans-101.1138.2174.5-178.50000108.9P847 R851P847-V849 PolarHBondContact O-N 3.26Å; V849-R851 PolarHBondContact O-N 2.82Å
850P33.1Very low32.8Very low104 Ų104132.4 Ų132.468%0.67567%0.672SS**  trans-53.2122.7173.3-2735.7000111.5S852P850-S852 PolarHBondContact O-N 2.63Å
851R36.1Very low32.3Very low182 Ų182137.2 Ų137.269%0.68770%0.696SS**SBendtrans-72.36.4-164.8-74.1177.4170.1172.2-3.6115.8E82 V849 K853E82-R851 IonicContact OE1-CZ 3.34Å; E82-R851 IonicContact OE1-NH1 2.72Å; E82-R851 PolarHBondContact OE1-NH1 3.11Å; E82-R851 WeakPolarHBondContact OE2-CD 3.47Å; E82-R851 IonicContact OE2-CZ 3.85Å; E82-R851 IonicContact OE2-NE 3.82Å; E82-R851 IonicContact OE2-NH1 2.62Å; E82-R851 PolarHBondContact OE2-NH1 3.5Å; V849-R851 PolarHBondContact O-N 2.82Å; R851-K853 PolarHBondContact O-N 2.86Å; R851-K853 VanDerWaalsContact O-N 3.13Å
852S34.2Very low32.1Very low109 Ų109140.3 Ų140.376%0.76271%0.711SS**THydrogen-bonded Turntrans-74.46.2-176.753.60000115.8P850P850-S852 PolarHBondContact O-N 2.63Å
853K30.7Very low32.1Very low189 Ų189137.1 Ų137.182%0.82271%0.706SS**THydrogen-bonded Turntrans-134.815.1-172.8-80.2-165.7172.9-175.10117.4R851R851-K853 PolarHBondContact O-N 2.86Å; R851-K853 VanDerWaalsContact O-N 3.13Å
854I31.3Very low31.9Very low104 Ų104139 Ų13953%0.53372%0.719SS.*  trans-118.685.6177.1-50.5-178.4000111.6I846 M856I846-I854 HydrophobicContact CD1-CD1 4.46Å; I854-M856 HydrophobicContact CG2-CG 4.38Å
855I27.7Very low31.7Very low172 Ų172141 Ų14188%0.88274%0.738SS**  trans-99.8100.6160.5-59176.6000107.3
856M31.6Very low31.9Very low159 Ų159135.8 Ų135.878%0.78373%0.733SS**  trans-112.1134.9165.7-76.4-173.868.600109.9I854I854-M856 HydrophobicContact CG2-CG 4.38Å
857K30.2Very low32Very low186 Ų186139.6 Ų139.681%0.80975%0.746SS**  trans-71.2154.7173.1-62.3177-177.6175.70109.4T859K857-T859 PolarHBondContact O-N 2.88Å; K857-T859 VanDerWaalsContact O-N 3.08Å
858P31.6Very low31.9Very low130 Ų130141 Ų14184%0.84476%0.755SS**  trans-69.5105.5171-10.226.4000109.2
859T33Very low32Very low120 Ų120141.5 Ų141.574%0.73675%0.752SS**  trans-75.8141.8166-49.70000109K857 I861K857-T859 PolarHBondContact O-N 2.88Å; K857-T859 VanDerWaalsContact O-N 3.08Å; T859-I861 PolarHBondContact O-N 3.34Å
860E27.9Very low31.9Very low164 Ų164142 Ų14277%0.76676%0.76SS**  trans-68.5116.7-177.7-61.6176.2128.400111I862E860-I862 VanDerWaalsContact C-N 3.28Å; E860-I862 HydrophobicContact CB-CG1 4.31Å; E860-I862 PolarHBondContact O-N 3.36Å; E860-I862 VanDerWaalsContact O-N 3.15Å
861I30.1Very low32Very low153 Ų153146.6 Ų146.679%0.78577%0.769SS**  trans-84.582.1164.7-56.5180000107.2T859 M863T859-I861 PolarHBondContact O-N 3.34Å; I861-M863 PolarHBondContact O-N 2.82Å
862I29.3Very low32.1Very low134 Ų134141.9 Ų141.969%0.68777%0.769SS**  trans-68.5109160.5-59.6174.9000105.9E860E860-I862 VanDerWaalsContact C-N 3.28Å; E860-I862 HydrophobicContact CB-CG1 4.31Å; E860-I862 PolarHBondContact O-N 3.36Å; E860-I862 VanDerWaalsContact O-N 3.15Å
863M28.7Very low32Very low148 Ų148142.2 Ų142.273%0.72977%0.766SS**PPolyproline II helixtrans-68.8130.9162.9-59.6-161.4-4600107.2I861I861-M863 PolarHBondContact O-N 2.82Å
864P32.4Very low32.2Very low116 Ų116140.9 Ų140.975%0.75377%0.768SS**PPolyproline II helixtrans-63.5144.3175.328.1-34.4000109.8
865D30.5Very low32.3Very low148 Ų148144.3 Ų144.379%0.79178%0.779SS**PPolyproline II helixtrans-56.5144172.8-74.4-58.4000110.9K867D865-K867 PolarHBondContact O-N 2.89Å
866P36.1Very low32.7Very low113 Ų113145.7 Ų145.773%0.73478%0.778SS**PPolyproline II helixtrans-61.2116.2179.225.5-33.7000109.6
867K33.9Very low32.7Very low185 Ų185144.7 Ų144.780%0.80478%0.775SS**PPolyproline II helixtrans-56.6130178.4-70.2-178.4178178.30109.4D865 V869D865-K867 PolarHBondContact O-N 2.89Å; K867-V869 PolarHBondContact O-N 3.41Å
868P32.9Very low32.8Very low128 Ų128143.2 Ų143.283%0.83178%0.775SS**  trans-65.2110.5177.926.1-33.4000109.7S870P868-S870 PolarHBondContact O-N 3.12Å; P868-S870 VanDerWaalsContact O-N 3.17Å
869V35.3Very low32.9Very low139 Ų139142.2 Ų142.284%0.84277%0.767SS**  trans-67.5113.5173.6179.80000108.1K867 K871K867-V869 PolarHBondContact O-N 3.41Å; V869-K871 PolarHBondContact O-N 3.08Å
870S33.9Very low33Very low99 Ų99143.6 Ų143.669%0.69277%0.768SS**  trans-64.6133.317849.50000110.4P868 A872P868-S870 PolarHBondContact O-N 3.12Å; P868-S870 VanDerWaalsContact O-N 3.17Å; S870-A872 PolarHBondContact O-N 3.08Å
871K35.8Very low33.3Very low201 Ų201144.2 Ų144.287%0.87477%0.771SS**  trans-72.775.4175.4-71.6-175.5177.7179.20110.6V869 V873V869-K871 PolarHBondContact O-N 3.08Å; K871-V873 PolarHBondContact O-N 2.69Å
872A36.3Very low33.1Very low82 Ų82142.1 Ų142.168%0.67877%0.77SS**  trans-68.196.8170.300000109.7S870 N874S870-A872 PolarHBondContact O-N 3.08Å; A872-N874 PolarHBondContact O-N 3.04Å
873V33.8Very low33.4Very low117 Ų117141.4 Ų141.471%0.70977%0.772SS**  trans-73.690.3-177.3-175.60000110.4K871 K875K871-V873 PolarHBondContact O-N 2.69Å; V873-K875 VanDerWaalsContact C-N 3.3Å; V873-K875 HydrophobicContact CG1-CG 4.11Å; V873-K875 PolarHBondContact O-N 3.33Å
874N34Very low33.9Very low161 Ų161145.8 Ų145.886%0.86180%0.798SS**  trans-74.682.2169.7-103.8-31.7000110.7A872 K876A872-N874 PolarHBondContact O-N 3.04Å; N874-K876 PolarHBondContact O-N 3.37Å
875K33.4Very low33.9Very low176 Ų176147.3 Ų147.377%0.76580%0.8SS**  trans-63.195.5164.1-75.3-176.4177.7179.20109.3V873 L877V873-K875 VanDerWaalsContact C-N 3.3Å; V873-K875 HydrophobicContact CG1-CG 4.11Å; V873-K875 PolarHBondContact O-N 3.33Å; K875-L877 PolarHBondContact O-N 3.35Å
876K36.5Very low34.1Very low200 Ų200147.2 Ų147.287%0.8780%0.801SS**  trans-79.3112.4156.1-111.8-176.1176.8-177.60108N874 I878N874-K876 PolarHBondContact O-N 3.37Å; K876-I878 PolarHBondContact O-N 3.39Å
877L31Very low34Very low138 Ų138149.1 Ų149.172%0.72380%0.804SS**  trans-57.4130.1172.5-9662.9000109.6K875K875-L877 PolarHBondContact O-N 3.35Å
878I33.2Very low34Very low155 Ų155147 Ų14780%0.79580%0.804SS**  trans-9997.5152.7-61.3177.9000105K876 I880K876-I878 PolarHBondContact O-N 3.39Å; I878-I880 HydrophobicContact CG2-CG1 4.32Å; I878-I880 PolarHBondContact O-N 3.34Å; I878-I880 VanDerWaalsContact O-N 3.16Å
879T32.2Very low34.1Very low110 Ų110148.2 Ų148.268%0.67580%0.803SS**  trans-75.6100.9174.9-55.90000108.5
880I36.3Very low34Very low149 Ų149148.8 Ų148.876%0.76480%0.8SS**  trans-77.8132.1165.1-59.2177.3000107.1I878I878-I880 HydrophobicContact CG2-CG1 4.32Å; I878-I880 PolarHBondContact O-N 3.34Å; I878-I880 VanDerWaalsContact O-N 3.16Å
881Q34Very low34Very low177 Ų177152.4 Ų152.483%0.82781%0.808SS**  trans-78.4137.5174-69.6-177.8-79.100110.6
882S25.4Very low33.9Very low108 Ų108148.6 Ų148.676%0.75580%0.803SS**  trans-14.4134.4157.8-161.10000114.8
883T35Very low33.7Very low120 Ų120154.2 Ų154.274%0.73681%0.813SS**  -158.2153.571.336.60000114.4
884N39.3Very low33.7Very low239 Ų239157.5 Ų157.5100%1.27882%0.823SS**  trans650178-64.5-1.1000115.9

Retrieved 884 of 884 residues in 265.6 ms (Link to these results)

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