G4VD86_SCHMA Loading...

G_PROTEIN_RECEP_F1_2 domain-containing protein

AlphaFold DB , UniProt , Accession G4VD86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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
1M44.9Very low70.8Confident210 Ų210105 Ų105100%1.03453%0.534SS*.  0-290-75.3-159.7-175.300113Q3 L4M1-Q3 PolarHBondContact O-N 2.92Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.08Å
2D50.8Low72.6Confident162 Ų16299.6 Ų99.687%0.86651%0.512SS*.THydrogen-bonded Turntrans-62.6-15.5-178.1-60.3-15.7000116.5
3Q58.7Low74.1Confident124 Ų12493.5 Ų93.558%0.57948%0.482SS*.THydrogen-bonded Turntrans-83-19.2175.9-74.7-177.2-12.100113.7M1 G5 R6 Y34M1-Q3 PolarHBondContact O-N 2.92Å; Q3-G5 VanDerWaalsContact C-N 3.27Å; Q3-G5 PolarHBondContact O-N 3.31Å; Q3-R6 PolarHBondContact O-N 3.19Å; Q3-Y34 PolarHBondContact OE1-OH 3.3Å
4L56.4Low75.4Confident106 Ų10695.7 Ų95.756%0.55550%0.496SS*.THydrogen-bonded Turntrans-66.4-29.7176.7-104.882.8000112.1M1 R6 I7M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.08Å; L4-R6 PolarHBondContact O-N 3.37Å; L4-R6 VanDerWaalsContact O-N 3.16Å; L4-I7 HydrophobicContact CG-CD1 4.3Å; L4-I7 VanDerWaalsContact O-CB 3.28Å; L4-I7 WeakPolarHBondContact O-CB 3.33Å; L4-I7 PolarHBondContact O-N 3.38Å
5G65.5Low76.5Confident45 Ų4593.8 Ų93.846%0.46449%0.486SS..Hα-helixtrans-60.4-28-178.900000114.1Q3 I7Q3-G5 VanDerWaalsContact C-N 3.27Å; Q3-G5 PolarHBondContact O-N 3.31Å; G5-I7 VanDerWaalsContact C-N 3.33Å
6R73.9Confident77.5Confident170 Ų17087.9 Ų87.964%0.64246%0.456SS*.Hα-helixtrans-77-19.3174.4-68.9-170-151.2-177.84.4113.5Q3 L4 D8 E9Q3-R6 PolarHBondContact O-N 3.19Å; L4-R6 PolarHBondContact O-N 3.37Å; L4-R6 VanDerWaalsContact O-N 3.16Å; R6-D8 VanDerWaalsContact C-N 3.32Å; R6-E9 PolarHBondContact O-N 3.22Å
7I77.7Confident78.3Confident31 Ų3183.4 Ų83.416%0.15943%0.432CS..Hα-helixtrans-71.7-33.5179-61.2-179.9000110L4 G5 E9 L10 I46 V49L4-I7 HydrophobicContact CG-CD1 4.3Å; L4-I7 VanDerWaalsContact O-CB 3.28Å; L4-I7 WeakPolarHBondContact O-CB 3.33Å; L4-I7 PolarHBondContact O-N 3.38Å; G5-I7 VanDerWaalsContact C-N 3.33Å; I7-E9 VanDerWaalsContact C-N 3.29Å; I7-E9 PolarHBondContact O-N 3.13Å; I7-L10 WeakPolarHBondContact O-CB 3.26Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.16Å; I7-I46 HydrophobicContact CG2-CG2 4.12Å; I7-V49 HydrophobicContact CG2-CG2 3.27Å
8D80.4Confident79Confident121 Ų12187.3 Ų87.365%0.64745%0.445SS*.Hα-helixtrans-67-32.3176.7-67.9-29.2000112.4R6 L10 K48R6-D8 VanDerWaalsContact C-N 3.32Å; D8-L10 PolarHBondContact O-N 2.94Å; D8-K48 PolarHBondContact O-NZ 3.36Å
9E87Confident79.7Confident147 Ų14786.3 Ų86.369%0.68744%0.441SS*.THydrogen-bonded Turntrans-74.3-8.5175.3-64.3-178.1174.500113.6R6 I7 P11R6-E9 PolarHBondContact O-N 3.22Å; I7-E9 VanDerWaalsContact C-N 3.29Å; I7-E9 PolarHBondContact O-N 3.13Å; E9-P11 WeakPolarHBondContact O-CD 3.48Å
10L90.3Very high80.4Confident14 Ų1485.2 Ų85.27%0.07344%0.441CS..PPolyproline II helixtrans-65.5124.4179.8-150.679.6000109.5I7 D8 Y27 V31 K48 W52I7-L10 WeakPolarHBondContact O-CB 3.26Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.16Å; D8-L10 PolarHBondContact O-N 2.94Å; L10-Y27 HydrophobicContact CD1-CD1 3.87Å; L10-V31 HydrophobicContact CD1-CG2 3.98Å; L10-V31 HydrophobicContact CD2-CG2 3.75Å; L10-V31 HydrophobicContact CG-CG2 4.5Å; L10-K48 PolarHBondContact O-NZ 3.04Å; L10-W52 HydrophobicContact CD2-CB 4.43Å; L10-W52 HydrophobicContact CD2-CD2 4.2Å; L10-W52 HydrophobicContact CD2-CG 3.72Å
11P93.1Very high81.1Confident25 Ų2583.6 Ų83.616%0.16243%0.43CS..PPolyproline II helixtrans-67.2159.5175.228.1-33.4000110.1E9 D15 V16 Y27 W52E9-P11 WeakPolarHBondContact O-CD 3.48Å; P11-D15 HydrophobicContact CB-CB 4.32Å; P11-V16 HydrophobicContact CG-CB 4.28Å; P11-V16 HydrophobicContact CG-CG2 4.08Å; P11-Y27 HydrophobicContact CG-CD2 3.94Å; P11-Y27 HydrophobicContact CG-CE1 4.47Å; P11-Y27 HydrophobicContact CG-CE2 3.78Å; P11-Y27 HydrophobicContact CG-CG 4.35Å; P11-W52 HydrophobicContact CG-CZ2 4.42Å; P11-W52 PolarHBondContact O-NE1 3.37Å
12S93Very high83.5Confident40 Ų4080.6 Ų80.628%0.2841%0.413SS..PPolyproline II helixtrans-61.1151.3167.976.40000109.7D14 D15 V16S12-D14 PolarHBondContact O-N 2.88Å; S12-D15 PolarHBondContact O-N 3.33Å; S12-D15 WeakPolarHBondContact OG-CB 3.5Å; S12-D15 PolarHBondContact OG-N 3.28Å; S12-D15 VanDerWaalsContact OG-N 3.07Å; S12-D15 PolarHBondContact OG-OD2 2.84Å; S12-V16 PolarHBondContact O-N 3.44Å; S12-V16 VanDerWaalsContact O-N 3.09Å
13V92.3Very high85.6Confident20 Ų2075.1 Ų75.112%0.12139%0.386CS..Hα-helixtrans-56.9-33.6177.2176.10000110.7V16 F17 D51 W52 H55V13-V16 VanDerWaalsContact O-CG1 3.3Å; V13-V16 WeakPolarHBondContact O-CG1 3.33Å; V13-F17 HydrophobicContact CG1-CE2 4.11Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 WeakPolarHBondContact O-CE2 3.45Å; V13-D51 HydrophobicContact CG2-CB 4.08Å; V13-W52 HydrophobicContact CG2-CB 4.4Å; V13-W52 HydrophobicContact CG2-CD2 3.99Å; V13-W52 HydrophobicContact CG2-CG 3.78Å; V13-H55 HydrophobicContact CG1-CB 3.84Å; V13-H55 HydrophobicContact CG2-CB 4.14Å
14D91.4Very high87.3Confident125 Ų12569.2 Ų69.267%0.66836%0.358SS*.Hα-helixtrans-71.7-36.1177-63.9-38.7000112.7S12 V16S12-D14 PolarHBondContact O-N 2.88Å; D14-V16 VanDerWaalsContact C-N 3.35Å
15D92.8Very high89.2Confident67 Ų6770.2 Ų70.236%0.35835%0.354SS..Hα-helixtrans-74.5-25179.6-70.2-44.9000112.9P11 S12 F17 K18P11-D15 HydrophobicContact CB-CB 4.32Å; S12-D15 PolarHBondContact O-N 3.33Å; S12-D15 WeakPolarHBondContact OG-CB 3.5Å; S12-D15 PolarHBondContact OG-N 3.28Å; S12-D15 VanDerWaalsContact OG-N 3.07Å; S12-D15 PolarHBondContact OG-OD2 2.84Å; D15-F17 PolarHBondContact O-N 3.06Å; D15-K18 WeakPolarHBondContact O-CB 3.37Å; D15-K18 PolarHBondContact O-N 3.45Å; D15-K18 VanDerWaalsContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.72Å; D15-K18 PolarHBondContact OD1-NZ 3.12Å
16V91.6Very high90.5Very high0 Ų072.8 Ų72.80%036%0.358CS..Hα-helixtrans-67.2-25.2-178.288.70000112.7P11 S12 V13 D14 K18 N19 Y24 Y27 W52 Y73P11-V16 HydrophobicContact CG-CB 4.28Å; P11-V16 HydrophobicContact CG-CG2 4.08Å; S12-V16 PolarHBondContact O-N 3.44Å; S12-V16 VanDerWaalsContact O-N 3.09Å; V13-V16 VanDerWaalsContact O-CG1 3.3Å; V13-V16 WeakPolarHBondContact O-CG1 3.33Å; D14-V16 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 3.22Å; V16-N19 PolarHBondContact O-N 3.4Å; V16-Y24 HydrophobicContact CG1-CD2 3.58Å; V16-Y24 HydrophobicContact CG1-CE2 4.21Å; V16-Y24 HydrophobicContact CG2-CD2 4.14Å; V16-Y27 HydrophobicContact CG2-CD2 3.86Å; V16-W52 HydrophobicContact CB-CH2 4.13Å; V16-W52 HydrophobicContact CB-CZ2 3.94Å; V16-W52 HydrophobicContact CG1-CH2 3.96Å; V16-W52 HydrophobicContact CG1-CZ2 4.11Å; V16-W52 HydrophobicContact CG2-CH2 3.84Å; V16-W52 HydrophobicContact CG2-CZ2 3.91Å; V16-Y73 PolarHBondContact O-OH 3.37Å
17F90.8Very high91.5Very high11 Ų1168.2 Ų68.25%0.04834%0.341CS..THydrogen-bonded Turntrans-72.6-5.8175.7-65.1-72.2000113.5V13 D15 N19 H55 Y73 R76 H77 L80V13-F17 HydrophobicContact CG1-CE2 4.11Å; V13-F17 WeakPolarHBondContact O-CD2 3.22Å; V13-F17 WeakPolarHBondContact O-CE2 3.45Å; D15-F17 PolarHBondContact O-N 3.06Å; F17-N19 VanDerWaalsContact C-N 3.35Å; F17-H55 AromaticContact CZ-CE1 3.62Å; F17-Y73 AromaticContact CD1-CD2 3.87Å; F17-Y73 HydrophobicContact CD1-CD2 3.87Å; F17-Y73 AromaticContact CD1-CE2 3.51Å; F17-Y73 HydrophobicContact CD1-CE2 3.51Å; F17-Y73 AromaticContact CE1-CD2 3.82Å; F17-Y73 HydrophobicContact CE1-CD2 3.82Å; F17-Y73 AromaticContact CE1-CE2 3.85Å; F17-Y73 HydrophobicContact CE1-CE2 3.85Å; F17-R76 HydrophobicContact CE1-CB 4.28Å; F17-H77 PolarHBondContact O-CD2 2.82Å; F17-H77 PolarHBondContact O-NE2 3.12Å; F17-L80 HydrophobicContact CB-CD1 3.77Å; F17-L80 HydrophobicContact CD2-CD1 4.34Å; F17-L80 HydrophobicContact CG-CD1 4.13Å
18K91.9Very high92.3Very high154 Ų15466.8 Ų66.867%0.6733%0.333SS*.THydrogen-bonded Turntrans-84.7-11.4171.8-60.9171.5-178.5161.90112.8D15 V16D15-K18 WeakPolarHBondContact O-CB 3.37Å; D15-K18 PolarHBondContact O-N 3.45Å; D15-K18 VanDerWaalsContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.72Å; D15-K18 PolarHBondContact OD1-NZ 3.12Å; V16-K18 PolarHBondContact O-N 3.22Å
19N92.2Very high92.9Very high68 Ų6864.2 Ų64.236%0.36432%0.32SS..SBendtrans-98.2176.9-178.1-64.6-56.9000111.6V16 F17 V23 Y73V16-N19 PolarHBondContact O-N 3.4Å; F17-N19 VanDerWaalsContact C-N 3.35Å; N19-V23 HydrophobicContact CB-CB 3.82Å; N19-V23 HydrophobicContact CB-CG1 3.7Å; N19-V23 HydrophobicContact CB-CG2 4.43Å; N19-Y73 PolarHBondContact O-OH 3.31Å
20S94.3Very high93.1Very high64 Ų6460 Ų6045%0.44830%0.301SS..  trans-70156.1172.266.90000111.4E22 V23 Y24S20-E22 PolarHBondContact O-N 3.16Å; S20-E22 VanDerWaalsContact O-N 3.17Å; S20-V23 WeakPolarHBondContact O-CB 3.33Å; S20-V23 PolarHBondContact O-N 2.86Å; S20-V23 WeakPolarHBondContact OG-CG2 3.36Å; S20-Y24 PolarHBondContact O-N 3.39Å; S20-Y24 VanDerWaalsContact O-N 3.11Å
21Y94.7Very high93.2Very high52 Ų5259.8 Ų59.820%0.20430%0.301CS..Hα-helixtrans-54.8-33.7175175.1-109000112.5V23 Y24 R25 M68 D70 Y73Y21-V23 VanDerWaalsContact C-N 3.34Å; Y21-V23 PolarHBondContact O-N 3.13Å; Y21-Y24 AromaticContact CD2-CD1 3.9Å; Y21-Y24 HydrophobicContact CD2-CD1 3.9Å; Y21-Y24 AromaticContact CE2-CD1 3.97Å; Y21-Y24 HydrophobicContact CE2-CD1 3.97Å; Y21-Y24 HydrophobicContact CE2-CE1 4.22Å; Y21-Y24 PolarHBondContact O-N 2.72Å; Y21-R25 VanDerWaalsContact O-CB 3.25Å; Y21-R25 WeakPolarHBondContact O-CB 3.03Å; Y21-R25 PolarHBondContact O-N 3.1Å; Y21-M68 PolarHBondContact OH-O 3.16Å; Y21-D70 HydrophobicContact CD1-CB 4.06Å; Y21-D70 HydrophobicContact CD2-CB 4.38Å; Y21-D70 HydrophobicContact CE1-CB 3.75Å; Y21-D70 HydrophobicContact CE2-CB 4.1Å; Y21-D70 HydrophobicContact CG-CB 4.35Å; Y21-D70 PolarHBondContact OH-N 3.36Å; Y21-Y73 AromaticContact CD2-CD1 3.81Å; Y21-Y73 HydrophobicContact CD2-CD1 3.81Å; Y21-Y73 HydrophobicContact CD2-CD2 4.08Å; Y21-Y73 HydrophobicContact CD2-CE1 4.47Å; Y21-Y73 AromaticContact CD2-CG 3.6Å; Y21-Y73 HydrophobicContact CD2-CG 3.6Å; Y21-Y73 HydrophobicContact CE2-CG 4.35Å; Y21-Y73 HydrophobicContact CG-CD1 4.31Å
22E95.3Very high93.1Very high146 Ų14659.9 Ų59.968%0.68230%0.3SS*.Hα-helixtrans-61.5-41.4175.7-64.4-176.7168.500112.4S20 R25 N26S20-E22 PolarHBondContact O-N 3.16Å; S20-E22 VanDerWaalsContact O-N 3.17Å; E22-R25 PolarHBondContact O-N 3Å; E22-N26 VanDerWaalsContact O-CG 3.25Å; E22-N26 PolarHBondContact O-N 3.47Å; E22-N26 PolarHBondContact O-ND2 3.28Å
23V94.4Very high93Very high47 Ų4765 Ų6529%0.28532%0.317SS..Hα-helixtrans-68.3-46.2177.7173.80000110.5N19 S20 Y21 R25 N26 Y27N19-V23 HydrophobicContact CB-CB 3.82Å; N19-V23 HydrophobicContact CB-CG1 3.7Å; N19-V23 HydrophobicContact CB-CG2 4.43Å; S20-V23 WeakPolarHBondContact O-CB 3.33Å; S20-V23 PolarHBondContact O-N 2.86Å; S20-V23 WeakPolarHBondContact OG-CG2 3.36Å; Y21-V23 VanDerWaalsContact C-N 3.34Å; Y21-V23 PolarHBondContact O-N 3.13Å; V23-R25 VanDerWaalsContact C-N 3.31Å; V23-R25 PolarHBondContact O-N 3.43Å; V23-N26 PolarHBondContact O-N 3.36Å; V23-Y27 HydrophobicContact CG1-CD2 3.76Å; V23-Y27 HydrophobicContact CG1-CE2 3.39Å; V23-Y27 WeakPolarHBondContact O-CD2 3.49Å; V23-Y27 PolarHBondContact O-N 2.8Å; V23-Y27 VanDerWaalsContact O-N 3.08Å
24Y95Very high92.9Very high1 Ų167.5 Ų67.50%0.00433%0.325CS..Hα-helixtrans-55-48.1172.8163.3-104.7000111.8V16 S20 Y21 N26 Y27 S28 W52 H55 M68 Y73V16-Y24 HydrophobicContact CG1-CD2 3.58Å; V16-Y24 HydrophobicContact CG1-CE2 4.21Å; V16-Y24 HydrophobicContact CG2-CD2 4.14Å; S20-Y24 PolarHBondContact O-N 3.39Å; S20-Y24 VanDerWaalsContact O-N 3.11Å; Y21-Y24 AromaticContact CD2-CD1 3.9Å; Y21-Y24 HydrophobicContact CD2-CD1 3.9Å; Y21-Y24 AromaticContact CE2-CD1 3.97Å; Y21-Y24 HydrophobicContact CE2-CD1 3.97Å; Y21-Y24 HydrophobicContact CE2-CE1 4.22Å; Y21-Y24 PolarHBondContact O-N 2.72Å; Y24-N26 VanDerWaalsContact C-N 3.32Å; Y24-N26 PolarHBondContact O-N 2.94Å; Y24-Y27 PolarHBondContact O-N 3.21Å; Y24-S28 WeakPolarHBondContact O-CB 3.19Å; Y24-S28 PolarHBondContact O-N 3.42Å; Y24-S28 PolarHBondContact O-OG 3.17Å; Y24-W52 HydrophobicContact CD2-CH2 4.05Å; Y24-W52 HydrophobicContact CD2-CZ3 4.28Å; Y24-W52 HydrophobicContact CE2-CH2 4.2Å; Y24-W52 AromaticContact CE2-CZ3 4Å; Y24-W52 HydrophobicContact CE2-CZ3 4Å; Y24-H55 AromaticContact CE2-NE2 3.48Å; Y24-H55 WeakPolarHBondContact CE2-NE2 3.2Å; Y24-H55 AromaticContact CZ-NE2 3.67Å; Y24-H55 PolarHBondContact OH-NE2 2.78Å; Y24-M68 HydrophobicContact CE1-CB 4.1Å; Y24-M68 VanDerWaalsContact OH-CB 3.25Å; Y24-M68 WeakPolarHBondContact OH-CB 3.09Å; Y24-M68 PolarHBondContact OH-N 3.29Å; Y24-Y73 AromaticContact CD1-CD2 3.58Å; Y24-Y73 HydrophobicContact CD1-CD2 3.58Å; Y24-Y73 AromaticContact CD1-CE2 3.78Å; Y24-Y73 HydrophobicContact CD1-CE2 3.78Å; Y24-Y73 HydrophobicContact CD1-CG 4.45Å; Y24-Y73 HydrophobicContact CD2-CD2 4.36Å; Y24-Y73 HydrophobicContact CD2-CE2 4.01Å; Y24-Y73 AromaticContact CE1-CD2 3.98Å; Y24-Y73 HydrophobicContact CE1-CD2 3.98Å; Y24-Y73 AromaticContact CG-CD2 3.78Å; Y24-Y73 HydrophobicContact CG-CD2 3.78Å; Y24-Y73 AromaticContact CG-CE2 3.47Å; Y24-Y73 HydrophobicContact CG-CE2 3.47Å; Y24-Y73 VanDerWaalsContact CG-CE2 3.47Å
25R94.9Very high92.8Very high126 Ų12666.2 Ų66.248%0.47531%0.313SS..Hα-helixtrans-60.8-42.4-179.5-171.8175.3-177.7-121.71.1111.1Y21 E22 V23 S28 L29Y21-R25 VanDerWaalsContact O-CB 3.25Å; Y21-R25 WeakPolarHBondContact O-CB 3.03Å; Y21-R25 PolarHBondContact O-N 3.1Å; E22-R25 PolarHBondContact O-N 3Å; V23-R25 VanDerWaalsContact C-N 3.31Å; V23-R25 PolarHBondContact O-N 3.43Å; R25-S28 WeakPolarHBondContact CA-OG 3.45Å; R25-S28 PolarHBondContact O-N 2.88Å; R25-S28 PolarHBondContact O-OG 3.1Å; R25-L29 HydrophobicContact CG-CD1 4.01Å; R25-L29 HydrophobicContact CG-CG 4.41Å; R25-L29 WeakPolarHBondContact O-CB 3.39Å; R25-L29 VanDerWaalsContact O-CG 3.26Å; R25-L29 WeakPolarHBondContact O-CG 3.38Å; R25-L29 PolarHBondContact O-N 3.45Å
26N94.1Very high92.7Very high100 Ų10068.3 Ų68.354%0.53532%0.321SS..Hα-helixtrans-61.3-48176.4-72.3-19.5000112.1E22 V23 Y24 S28 L29 D30E22-N26 VanDerWaalsContact O-CG 3.25Å; E22-N26 PolarHBondContact O-N 3.47Å; E22-N26 PolarHBondContact O-ND2 3.28Å; V23-N26 PolarHBondContact O-N 3.36Å; Y24-N26 VanDerWaalsContact C-N 3.32Å; Y24-N26 PolarHBondContact O-N 2.94Å; N26-S28 PolarHBondContact O-N 2.72Å; N26-L29 PolarHBondContact O-N 3.09Å; N26-D30 PolarHBondContact O-N 3.27Å
27Y94.4Very high92.5Very high74 Ų7473.4 Ų73.429%0.2934%0.343SS..Hα-helixtrans-62-44.7176.4-72.8-58.3000112.4L10 P11 V16 V23 Y24 L29 D30 V31L10-Y27 HydrophobicContact CD1-CD1 3.87Å; P11-Y27 HydrophobicContact CG-CD2 3.94Å; P11-Y27 HydrophobicContact CG-CE1 4.47Å; P11-Y27 HydrophobicContact CG-CE2 3.78Å; P11-Y27 HydrophobicContact CG-CG 4.35Å; V16-Y27 HydrophobicContact CG2-CD2 3.86Å; V23-Y27 HydrophobicContact CG1-CD2 3.76Å; V23-Y27 HydrophobicContact CG1-CE2 3.39Å; V23-Y27 WeakPolarHBondContact O-CD2 3.49Å; V23-Y27 PolarHBondContact O-N 2.8Å; V23-Y27 VanDerWaalsContact O-N 3.08Å; Y24-Y27 PolarHBondContact O-N 3.21Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.43Å; Y27-D30 PolarHBondContact O-N 3.07Å; Y27-V31 WeakPolarHBondContact O-CG2 3.25Å; Y27-V31 PolarHBondContact O-N 3.06Å
28S93.8Very high92.4Very high0 Ų073.2 Ų73.20%034%0.343CS..Hα-helixtrans-60.7-41.7177.967.70000112.5Y24 R25 N26 D30 V31 L32 P67Y24-S28 WeakPolarHBondContact O-CB 3.19Å; Y24-S28 PolarHBondContact O-N 3.42Å; Y24-S28 PolarHBondContact O-OG 3.17Å; R25-S28 WeakPolarHBondContact CA-OG 3.45Å; R25-S28 PolarHBondContact O-N 2.88Å; R25-S28 PolarHBondContact O-OG 3.1Å; N26-S28 PolarHBondContact O-N 2.72Å; S28-D30 VanDerWaalsContact C-N 3.34Å; S28-V31 PolarHBondContact O-N 3.21Å; S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 VanDerWaalsContact O-CG 3.24Å; S28-L32 WeakPolarHBondContact O-CG 3.45Å; S28-L32 PolarHBondContact O-N 3.2Å; S28-P67 WeakPolarHBondContact OG-CB 3.44Å; S28-P67 WeakPolarHBondContact OG-CG 3.47Å
29L93.8Very high92.3Very high68 Ų6868 Ų6836%0.35632%0.322SS..Hα-helixtrans-67.8-35.5177.2-73172.8000111.8R25 N26 Y27 L32 K33 P67R25-L29 HydrophobicContact CG-CD1 4.01Å; R25-L29 HydrophobicContact CG-CG 4.41Å; R25-L29 WeakPolarHBondContact O-CB 3.39Å; R25-L29 VanDerWaalsContact O-CG 3.26Å; R25-L29 WeakPolarHBondContact O-CG 3.38Å; R25-L29 PolarHBondContact O-N 3.45Å; N26-L29 PolarHBondContact O-N 3.09Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 3.43Å; L29-L32 PolarHBondContact O-N 3.29Å; L29-K33 WeakPolarHBondContact O-CG 3.3Å; L29-K33 PolarHBondContact O-N 3.18Å; L29-P67 HydrophobicContact CD2-CG 4.32Å
30D91.4Very high91.9Very high57 Ų5772.8 Ų72.831%0.30534%0.335SS..Hα-helixtrans-67.9-40.2175.3-82.4-13.6000112N26 Y27 S28 K33 Y34N26-D30 PolarHBondContact O-N 3.27Å; Y27-D30 PolarHBondContact O-N 3.07Å; S28-D30 VanDerWaalsContact C-N 3.34Å; D30-K33 WeakPolarHBondContact O-CB 3.25Å; D30-K33 PolarHBondContact O-N 3.11Å; D30-K33 IonicContact OD1-NZ 2.63Å; D30-K33 PolarHBondContact OD1-NZ 3.29Å; D30-Y34 VanDerWaalsContact O-CD2 3.27Å; D30-Y34 WeakPolarHBondContact O-CD2 3.49Å
31V91.6Very high91.3Very high10 Ų1071.1 Ų71.16%0.06133%0.329CS..Hα-helixtrans-63.8-42.1171.8176.50000110.9L10 Y27 S28 K33 Y34 W52 L56L10-V31 HydrophobicContact CD1-CG2 3.98Å; L10-V31 HydrophobicContact CD2-CG2 3.75Å; L10-V31 HydrophobicContact CG-CG2 4.5Å; Y27-V31 WeakPolarHBondContact O-CG2 3.25Å; Y27-V31 PolarHBondContact O-N 3.06Å; S28-V31 PolarHBondContact O-N 3.21Å; V31-K33 PolarHBondContact O-N 2.88Å; V31-Y34 CarbonylContact O-C 3.5Å; V31-Y34 WeakPolarHBondContact O-CA 3.48Å; V31-Y34 PolarHBondContact O-N 3.39Å; V31-W52 HydrophobicContact CG1-CB 4.15Å; V31-W52 HydrophobicContact CG2-CB 4.18Å; V31-W52 HydrophobicContact CG2-CD2 4.14Å; V31-W52 HydrophobicContact CG2-CE3 4.21Å; V31-W52 HydrophobicContact CG2-CG 4.17Å; V31-L56 HydrophobicContact CB-CD1 3.93Å; V31-L56 HydrophobicContact CG1-CD1 3.77Å
32L92Very high90.8Very high28 Ų2873.2 Ų73.215%0.14734%0.343CS..Hα-helixtrans-64.2-22.7179.8-76.3170.4000114.1S28 L29 Y34 K35 L56 C58 C65 P67S28-L32 WeakPolarHBondContact O-CB 3.3Å; S28-L32 VanDerWaalsContact O-CG 3.24Å; S28-L32 WeakPolarHBondContact O-CG 3.45Å; S28-L32 PolarHBondContact O-N 3.2Å; L29-L32 PolarHBondContact O-N 3.29Å; L32-Y34 PolarHBondContact O-N 3.49Å; L32-K35 WeakPolarHBondContact O-CB 3.34Å; L32-K35 PolarHBondContact O-N 2.82Å; L32-K35 VanDerWaalsContact O-N 3.11Å; L32-L56 HydrophobicContact CD2-CD1 4.39Å; L32-L56 HydrophobicContact CG-CD1 4.15Å; L32-C58 WeakPolarHBondContact CD2-SG 3.42Å; L32-C65 HydrophobicContact CD2-CB 3.78Å; L32-P67 HydrophobicContact CD1-CG 3.77Å
33K91.5Very high90.1Very high147 Ų14766.4 Ų66.464%0.63931%0.312SS*.THydrogen-bonded Turntrans-60-23.9169.6-71.1169.9-174.71630112L29 D30 V31L29-K33 WeakPolarHBondContact O-CG 3.3Å; L29-K33 PolarHBondContact O-N 3.18Å; D30-K33 WeakPolarHBondContact O-CB 3.25Å; D30-K33 PolarHBondContact O-N 3.11Å; D30-K33 IonicContact OD1-NZ 2.63Å; D30-K33 PolarHBondContact OD1-NZ 3.29Å; V31-K33 PolarHBondContact O-N 2.88Å
34Y88.8Confident89.4Confident72 Ų7268.6 Ų68.628%0.28232%0.319SS..THydrogen-bonded Turntrans-109.427.8177.4-51.4-81.9000112.2Q3 D30 V31 L32 E36 F37Q3-Y34 PolarHBondContact OE1-OH 3.3Å; D30-Y34 VanDerWaalsContact O-CD2 3.27Å; D30-Y34 WeakPolarHBondContact O-CD2 3.49Å; V31-Y34 CarbonylContact O-C 3.5Å; V31-Y34 WeakPolarHBondContact O-CA 3.48Å; V31-Y34 PolarHBondContact O-N 3.39Å; L32-Y34 PolarHBondContact O-N 3.49Å; Y34-E36 PolarHBondContact O-N 3.25Å; Y34-F37 HydrophobicContact CD1-CD2 4.49Å; Y34-F37 WeakPolarHBondContact O-CB 3.37Å; Y34-F37 PolarHBondContact O-N 3.48Å
35K90.2Very high88.7Confident99 Ų9972.8 Ų72.843%0.4335%0.348SS..Hα-helixtrans-50.4-31.5-179.966.9177.1-174.3173.50114L32 F37 C38 Q39L32-K35 WeakPolarHBondContact O-CB 3.34Å; L32-K35 PolarHBondContact O-N 2.82Å; L32-K35 VanDerWaalsContact O-N 3.11Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 3.12Å; K35-C38 WeakPolarHBondContact O-CB 3.27Å; K35-C38 PolarHBondContact O-N 3.18Å; K35-C38 VanDerWaalsContact O-N 3.17Å; K35-Q39 WeakPolarHBondContact O-CG 3.31Å; K35-Q39 PolarHBondContact O-N 3.03Å
36E89.2Confident88.3Confident110 Ų11069.6 Ų69.651%0.51434%0.34SS..Hα-helixtrans-61.9-37.7177.3-71.4-178.2-169.100111.4Y34 C38 Q39 Y40Y34-E36 PolarHBondContact O-N 3.25Å; E36-C38 VanDerWaalsContact C-N 3.3Å; E36-C38 PolarHBondContact O-N 3.36Å; E36-Q39 PolarHBondContact O-N 2.88Å; E36-Y40 HydrophobicContact CB-CD2 3.95Å; E36-Y40 HydrophobicContact CB-CE2 3.77Å; E36-Y40 HydrophobicContact CG-CE2 4.17Å; E36-Y40 WeakPolarHBondContact O-CB 3.49Å; E36-Y40 WeakPolarHBondContact O-CD2 3.24Å; E36-Y40 PolarHBondContact O-N 3.34Å
37F88.8Confident88Confident108 Ų10872.4 Ų72.447%0.47435%0.348SS..Hα-helixtrans-63.2-37175.2-81.1-107.1000112.3Y34 K35 L42 A43Y34-F37 HydrophobicContact CD1-CD2 4.49Å; Y34-F37 WeakPolarHBondContact O-CB 3.37Å; Y34-F37 PolarHBondContact O-N 3.48Å; K35-F37 VanDerWaalsContact C-N 3.3Å; K35-F37 PolarHBondContact O-N 3.12Å; F37-L42 HydrophobicContact CB-CB 4.45Å; F37-L42 HydrophobicContact CD1-CB 3.87Å; F37-L42 HydrophobicContact CD1-CD1 4.23Å; F37-L42 HydrophobicContact CE1-CD1 4.43Å; F37-L42 HydrophobicContact CG-CB 4.46Å; F37-L42 PolarHBondContact O-N 3.21Å; F37-L42 VanDerWaalsContact O-N 3.08Å; F37-A43 PolarHBondContact O-N 2.99Å
38C88.2Confident87.8Confident7 Ų773.1 Ų73.15%0.04735%0.352CS..Hα-helixtrans-66.3-48.5173.7-59.60000111K35 E36 Y40 G41 C53 C58K35-C38 WeakPolarHBondContact O-CB 3.27Å; K35-C38 PolarHBondContact O-N 3.18Å; K35-C38 VanDerWaalsContact O-N 3.17Å; E36-C38 VanDerWaalsContact C-N 3.3Å; E36-C38 PolarHBondContact O-N 3.36Å; C38-Y40 PolarHBondContact O-N 3.37Å; C38-G41 PolarHBondContact O-N 3.07Å; C38-C53 VanDerWaalsContact CA-SG 3.53Å; C38-C53 HydrophobicContact CB-CB 3.56Å; C38-C53 WeakPolarHBondContact CB-SG 3.49Å; C38-C53 WeakPolarHBondContact SG-CB 3.36Å; C38-C53 CovalentContact SG-SG 2.03Å; C38-C53 PolarHBondContact SG-SG 2.96Å; C38-C58 CarbonylContact C-O 3.5Å; C38-C58 HydrophobicContact CB-CB 3.83Å; C38-C58 WeakPolarHBondContact CB-O 3.37Å
39Q89.2Confident87.6Confident45 Ų4573.9 Ų73.921%0.2136%0.357CS..Hα-helixtrans-70.2-28.7-174.6-69.8175.9-20.700113.6K35 E36 G41 S60K35-Q39 WeakPolarHBondContact O-CG 3.31Å; K35-Q39 PolarHBondContact O-N 3.03Å; E36-Q39 PolarHBondContact O-N 2.88Å; Q39-G41 VanDerWaalsContact C-N 3.35Å; Q39-S60 PolarHBondContact NE2-O 2.89Å
40Y85Confident87.5Confident167 Ų16772.3 Ų72.366%0.65535%0.348SS*.THydrogen-bonded Turntrans-893.8176.9-65.8-56.6000113.6E36 C38 L42E36-Y40 HydrophobicContact CB-CD2 3.95Å; E36-Y40 HydrophobicContact CB-CE2 3.77Å; E36-Y40 HydrophobicContact CG-CE2 4.17Å; E36-Y40 WeakPolarHBondContact O-CB 3.49Å; E36-Y40 WeakPolarHBondContact O-CD2 3.24Å; E36-Y40 PolarHBondContact O-N 3.34Å; C38-Y40 PolarHBondContact O-N 3.37Å; Y40-L42 PolarHBondContact O-N 2.65Å
41G82.1Confident87.5Confident30 Ų3072.8 Ų72.831%0.30935%0.35SS..THydrogen-bonded Turntrans71.91.3-177.700000114.5C38 Q39 A43 E44C38-G41 PolarHBondContact O-N 3.07Å; Q39-G41 VanDerWaalsContact C-N 3.35Å; G41-A43 PolarHBondContact O-N 3.17Å; G41-E44 WeakPolarHBondContact O-CB 3.27Å; G41-E44 WeakPolarHBondContact O-CG 3.42Å; G41-E44 PolarHBondContact O-N 3.46Å
42L83.6Confident87.6Confident95 Ų9572.3 Ų72.350%0.49735%0.347SS..G310 helixtrans-64.3-27.4-179.5-64.7170.9000112.4F37 Y40 E44 S45F37-L42 HydrophobicContact CB-CB 4.45Å; F37-L42 HydrophobicContact CD1-CB 3.87Å; F37-L42 HydrophobicContact CD1-CD1 4.23Å; F37-L42 HydrophobicContact CE1-CD1 4.43Å; F37-L42 HydrophobicContact CG-CB 4.46Å; F37-L42 PolarHBondContact O-N 3.21Å; F37-L42 VanDerWaalsContact O-N 3.08Å; Y40-L42 PolarHBondContact O-N 2.65Å; L42-E44 PolarHBondContact O-N 3.09Å; L42-S45 PolarHBondContact O-N 2.88Å; L42-S45 PolarHBondContact O-OG 3.11Å
43A81Confident87.7Confident4 Ų471 Ų713%0.03334%0.34CS..G310 helixtrans-64.3-19.5177.300000113.9F37 G41 S45 I46 V49 H50 C53F37-A43 PolarHBondContact O-N 2.99Å; G41-A43 PolarHBondContact O-N 3.17Å; A43-S45 PolarHBondContact O-N 3.42Å; A43-S45 VanDerWaalsContact O-N 3.15Å; A43-I46 CarbonylContact O-C 3.51Å; A43-I46 PolarHBondContact O-N 3.44Å; A43-V49 HydrophobicContact CB-CB 4.44Å; A43-V49 HydrophobicContact CB-CG1 3.88Å; A43-H50 WeakPolarHBondContact O-CB 3.24Å; A43-C53 VanDerWaalsContact CB-SG 3.54Å
44E79.6Confident87.7Confident93 Ų9367.9 Ų67.944%0.43533%0.33SS..G310 helixtrans-58.8-26.9178.8-72.4178.9-16400113G41 L42 I46G41-E44 WeakPolarHBondContact O-CB 3.27Å; G41-E44 WeakPolarHBondContact O-CG 3.42Å; G41-E44 PolarHBondContact O-N 3.46Å; L42-E44 PolarHBondContact O-N 3.09Å; E44-I46 VanDerWaalsContact C-N 3.25Å; E44-I46 PolarHBondContact O-N 2.83Å
45S79.6Confident87.9Confident89 Ų8965.8 Ų65.862%0.62232%0.323SS*.G310 helixtrans-68.5-20.4175.461.90000113.8L42 A43L42-S45 PolarHBondContact O-N 2.88Å; L42-S45 PolarHBondContact O-OG 3.11Å; A43-S45 PolarHBondContact O-N 3.42Å; A43-S45 VanDerWaalsContact O-N 3.15Å
46I86.2Confident88.1Confident59 Ų5961.2 Ų61.230%0.30330%0.303SS..SBendtrans-124.990.9-178-51.6175000108.4I7 A43 E44 K48 V49 H50I7-I46 HydrophobicContact CG2-CG2 4.12Å; A43-I46 CarbonylContact O-C 3.51Å; A43-I46 PolarHBondContact O-N 3.44Å; E44-I46 VanDerWaalsContact C-N 3.25Å; E44-I46 PolarHBondContact O-N 2.83Å; I46-K48 PolarHBondContact O-N 2.89Å; I46-V49 HydrophobicContact CB-CB 4.2Å; I46-V49 HydrophobicContact CB-CG2 4.04Å; I46-V49 HydrophobicContact CG2-CB 4.29Å; I46-V49 HydrophobicContact CG2-CG2 3.72Å; I46-V49 WeakPolarHBondContact O-CA 3.08Å; I46-V49 PolarHBondContact O-N 3.4Å; I46-H50 PolarHBondContact O-N 3.03Å
47K88.9Confident88.2Confident159 Ų15962 Ų6269%0.69131%0.306SS*.Hα-helixtrans-42.7-45.8-174.5-174.8-179.5177.8-175.70113.9V49 H50 D51K47-V49 PolarHBondContact O-N 3.34Å; K47-H50 PolarHBondContact O-N 3.43Å; K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 2.95Å
48K89.8Confident88.2Confident89 Ų8956.8 Ų56.839%0.38728%0.284SS..Hα-helixtrans-57.5-48.9177.4-70.6-174.4176.7-170.50112.1D8 L10 I46 H50 D51 W52D8-K48 PolarHBondContact O-NZ 3.36Å; L10-K48 PolarHBondContact O-NZ 3.04Å; I46-K48 PolarHBondContact O-N 2.89Å; K48-H50 VanDerWaalsContact C-N 3.35Å; K48-D51 PolarHBondContact O-N 3.31Å; K48-W52 PolarHBondContact O-N 3.26Å; K48-W52 VanDerWaalsContact O-N 3.12Å
49V90.2Very high88.1Confident16 Ų1660.8 Ų60.810%0.09730%0.304CS..Hα-helixtrans-66.2-41.5-179.8-178.20000110.2I7 A43 I46 K47 W52 C53I7-V49 HydrophobicContact CG2-CG2 3.27Å; A43-V49 HydrophobicContact CB-CB 4.44Å; A43-V49 HydrophobicContact CB-CG1 3.88Å; I46-V49 HydrophobicContact CB-CB 4.2Å; I46-V49 HydrophobicContact CB-CG2 4.04Å; I46-V49 HydrophobicContact CG2-CB 4.29Å; I46-V49 HydrophobicContact CG2-CG2 3.72Å; I46-V49 WeakPolarHBondContact O-CA 3.08Å; I46-V49 PolarHBondContact O-N 3.4Å; K47-V49 PolarHBondContact O-N 3.34Å; V49-W52 CarbonylContact O-C 3.49Å; V49-W52 WeakPolarHBondContact O-CB 3.33Å; V49-W52 PolarHBondContact O-N 2.96Å; V49-C53 PolarHBondContact O-N 3.12Å; V49-C53 PolarHBondContact O-SG 2.91Å
50H90.2Very high87.9Confident35 Ų3560.5 Ų60.516%0.16231%0.307CS..Hα-helixtrans-59.1-47.4175.8-172.171.8000112.3A43 I46 K47 K48 W52 C53 I54A43-H50 WeakPolarHBondContact O-CB 3.24Å; I46-H50 PolarHBondContact O-N 3.03Å; K47-H50 PolarHBondContact O-N 3.43Å; K48-H50 VanDerWaalsContact C-N 3.35Å; H50-W52 PolarHBondContact O-N 2.81Å; H50-C53 WeakPolarHBondContact O-CB 3.34Å; H50-C53 PolarHBondContact O-N 3.41Å; H50-I54 WeakPolarHBondContact NE2-CD1 3.16Å; H50-I54 WeakPolarHBondContact O-CG1 3.34Å; H50-I54 PolarHBondContact O-N 3.34Å
51D92.4Very high87.9Confident66 Ų6657.6 Ų57.635%0.35331%0.308SS..Hα-helixtrans-57.8-39.5176.6-67.2-20.1000110.8V13 K47 K48 H55V13-D51 HydrophobicContact CG2-CB 4.08Å; K47-D51 WeakPolarHBondContact O-CB 3.27Å; K47-D51 PolarHBondContact O-N 2.95Å; K48-D51 PolarHBondContact O-N 3.31Å; D51-H55 WeakPolarHBondContact O-CB 3.33Å; D51-H55 PolarHBondContact O-N 3.31Å
52W94.1Very high88.1Confident0 Ų060.7 Ų60.70%033%0.326CS..Hα-helixtrans-67.7-40.8173.3-87.693.7000113.4L10 P11 V13 V16 Y24 V31 K48 V49 H50 I54 H55 L56L10-W52 HydrophobicContact CD2-CB 4.43Å; L10-W52 HydrophobicContact CD2-CD2 4.2Å; L10-W52 HydrophobicContact CD2-CG 3.72Å; P11-W52 HydrophobicContact CG-CZ2 4.42Å; P11-W52 PolarHBondContact O-NE1 3.37Å; V13-W52 HydrophobicContact CG2-CB 4.4Å; V13-W52 HydrophobicContact CG2-CD2 3.99Å; V13-W52 HydrophobicContact CG2-CG 3.78Å; V16-W52 HydrophobicContact CB-CH2 4.13Å; V16-W52 HydrophobicContact CB-CZ2 3.94Å; V16-W52 HydrophobicContact CG1-CH2 3.96Å; V16-W52 HydrophobicContact CG1-CZ2 4.11Å; V16-W52 HydrophobicContact CG2-CH2 3.84Å; V16-W52 HydrophobicContact CG2-CZ2 3.91Å; Y24-W52 HydrophobicContact CD2-CH2 4.05Å; Y24-W52 HydrophobicContact CD2-CZ3 4.28Å; Y24-W52 HydrophobicContact CE2-CH2 4.2Å; Y24-W52 AromaticContact CE2-CZ3 4Å; Y24-W52 HydrophobicContact CE2-CZ3 4Å; V31-W52 HydrophobicContact CG1-CB 4.15Å; V31-W52 HydrophobicContact CG2-CB 4.18Å; V31-W52 HydrophobicContact CG2-CD2 4.14Å; V31-W52 HydrophobicContact CG2-CE3 4.21Å; V31-W52 HydrophobicContact CG2-CG 4.17Å; K48-W52 PolarHBondContact O-N 3.26Å; K48-W52 VanDerWaalsContact O-N 3.12Å; V49-W52 CarbonylContact O-C 3.49Å; V49-W52 WeakPolarHBondContact O-CB 3.33Å; V49-W52 PolarHBondContact O-N 2.96Å; H50-W52 PolarHBondContact O-N 2.81Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 2.8Å; W52-H55 PolarHBondContact O-N 3.29Å; W52-L56 HydrophobicContact CE3-CD1 4.16Å; W52-L56 HydrophobicContact CE3-CG 4.38Å; W52-L56 WeakPolarHBondContact O-CB 3.3Å; W52-L56 VanDerWaalsContact O-CG 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.29Å; W52-L56 PolarHBondContact O-N 2.81Å
53C92.9Very high88.1Confident0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-61.7-41.2175.5-64.70000111.4C38 A43 V49 H50 Q57 C58C38-C53 VanDerWaalsContact CA-SG 3.53Å; C38-C53 HydrophobicContact CB-CB 3.56Å; C38-C53 WeakPolarHBondContact CB-SG 3.49Å; C38-C53 WeakPolarHBondContact SG-CB 3.36Å; C38-C53 CovalentContact SG-SG 2.03Å; C38-C53 PolarHBondContact SG-SG 2.96Å; A43-C53 VanDerWaalsContact CB-SG 3.54Å; V49-C53 PolarHBondContact O-N 3.12Å; V49-C53 PolarHBondContact O-SG 2.91Å; H50-C53 WeakPolarHBondContact O-CB 3.34Å; H50-C53 PolarHBondContact O-N 3.41Å; C53-Q57 PolarHBondContact O-N 3.41Å; C53-Q57 VanDerWaalsContact O-N 3.12Å; C53-C58 PolarHBondContact O-N 2.93Å
54I92Very high88.1Confident82 Ų8263.2 Ų63.242%0.42134%0.344SS..Hα-helixtrans-62.9-49.1173.4-66.8167.9000109.8H50 W52 L56 Q57 L59H50-I54 WeakPolarHBondContact NE2-CD1 3.16Å; H50-I54 WeakPolarHBondContact O-CG1 3.34Å; H50-I54 PolarHBondContact O-N 3.34Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 2.8Å; I54-L56 VanDerWaalsContact C-N 3.26Å; I54-L56 PolarHBondContact O-N 2.82Å; I54-Q57 PolarHBondContact O-N 3.23Å; I54-L59 HydrophobicContact CG1-CD1 4.37Å; I54-L59 HydrophobicContact CG1-CD2 4.31Å
55H92.9Very high88.5Confident29 Ų2960.3 Ų60.313%0.13433%0.333CS..Hα-helixtrans-59.7-36.7-179.3178.166.1000112.7V13 F17 Y24 D51 W52 Q57V13-H55 HydrophobicContact CG1-CB 3.84Å; V13-H55 HydrophobicContact CG2-CB 4.14Å; F17-H55 AromaticContact CZ-CE1 3.62Å; Y24-H55 AromaticContact CE2-NE2 3.48Å; Y24-H55 WeakPolarHBondContact CE2-NE2 3.2Å; Y24-H55 AromaticContact CZ-NE2 3.67Å; Y24-H55 PolarHBondContact OH-NE2 2.78Å; D51-H55 WeakPolarHBondContact O-CB 3.33Å; D51-H55 PolarHBondContact O-N 3.31Å; W52-H55 PolarHBondContact O-N 3.29Å; H55-Q57 VanDerWaalsContact C-N 3.32Å
56L94Very high89Confident3 Ų359.2 Ų59.22%0.01633%0.326CS..THydrogen-bonded Turntrans-86.50.8177.7-64170.7000114V31 L32 W52 I54 C58V31-L56 HydrophobicContact CB-CD1 3.93Å; V31-L56 HydrophobicContact CG1-CD1 3.77Å; L32-L56 HydrophobicContact CD2-CD1 4.39Å; L32-L56 HydrophobicContact CG-CD1 4.15Å; W52-L56 HydrophobicContact CE3-CD1 4.16Å; W52-L56 HydrophobicContact CE3-CG 4.38Å; W52-L56 WeakPolarHBondContact O-CB 3.3Å; W52-L56 VanDerWaalsContact O-CG 3.25Å; W52-L56 WeakPolarHBondContact O-CG 3.29Å; W52-L56 PolarHBondContact O-N 2.81Å; I54-L56 VanDerWaalsContact C-N 3.26Å; I54-L56 PolarHBondContact O-N 2.82Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.91Å
57Q92.3Very high89.3Confident125 Ų12558 Ų5858%0.58432%0.322SS*.THydrogen-bonded Turntrans54.445.6-177.8-56.5177.5700112.4C53 I54 H55 D63C53-Q57 PolarHBondContact O-N 3.41Å; C53-Q57 VanDerWaalsContact O-N 3.12Å; I54-Q57 PolarHBondContact O-N 3.23Å; H55-Q57 VanDerWaalsContact C-N 3.32Å; Q57-D63 WeakPolarHBondContact O-CB 3.48Å
58C88.1Confident89.4Confident0 Ų051.3 Ų51.30%029%0.293CS..  trans-104.835-176.1-81.50000114.2L32 C38 C53 L56 C65L32-C58 WeakPolarHBondContact CD2-SG 3.42Å; C38-C58 CarbonylContact C-O 3.5Å; C38-C58 HydrophobicContact CB-CB 3.83Å; C38-C58 WeakPolarHBondContact CB-O 3.37Å; C53-C58 PolarHBondContact O-N 2.93Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 2.91Å; C58-C65 WeakPolarHBondContact CA-SG 3.4Å; C58-C65 HydrophobicContact CB-CB 4.42Å; C58-C65 WeakPolarHBondContact CB-SG 3.26Å; C58-C65 WeakPolarHBondContact SG-CA 3.47Å; C58-C65 WeakPolarHBondContact SG-CB 3.4Å; C58-C65 CovalentContact SG-SG 2.04Å; C58-C65 PolarHBondContact SG-SG 3.35Å
59L86.1Confident89.6Confident90 Ų9049.8 Ų49.847%0.47129%0.294SS..SBendtrans-87.5-31.5-174.5-61.1175000112.2I54I54-L59 HydrophobicContact CG1-CD1 4.37Å; I54-L59 HydrophobicContact CG1-CD2 4.31Å
60S85.5Confident89.6Confident39 Ų3952.6 Ų52.627%0.27331%0.309SS..SBendtrans-111.9149.8177.1-175.50000112.7Q39 S62 D63Q39-S60 PolarHBondContact NE2-O 2.89Å; S60-S62 PolarHBondContact O-N 3.27Å; S60-S62 VanDerWaalsContact O-N 3.15Å; S60-S62 PolarHBondContact OG-N 3.27Å; S60-S62 PolarHBondContact OG-OG 2.89Å; S60-D63 WeakPolarHBondContact CB-OD2 3.45Å; S60-D63 PolarHBondContact N-OD2 3.38Å; S60-D63 PolarHBondContact O-N 2.9Å; S60-D63 VanDerWaalsContact O-N 3.14Å
61P85.1Confident89.7Confident106 Ų10658 Ų5869%0.68833%0.334SS*.THydrogen-bonded Turntrans-55.8-23.5167.3-25.134.2000114.3
62S85.7Confident89.6Confident96 Ų9659 Ų5967%0.67134%0.336SS*.THydrogen-bonded Turntrans-86.2-15.5179.556.70000114.4S60S60-S62 PolarHBondContact O-N 3.27Å; S60-S62 VanDerWaalsContact O-N 3.15Å; S60-S62 PolarHBondContact OG-N 3.27Å; S60-S62 PolarHBondContact OG-OG 2.89Å
63D82.8Confident89.4Confident59 Ų5959 Ų5932%0.31634%0.337SS..SBendtrans-78.9140.2-172-61.8-21.6000110.4Q57 S60 C65Q57-D63 WeakPolarHBondContact O-CB 3.48Å; S60-D63 WeakPolarHBondContact CB-OD2 3.45Å; S60-D63 PolarHBondContact N-OD2 3.38Å; S60-D63 PolarHBondContact O-N 2.9Å; S60-D63 VanDerWaalsContact O-N 3.14Å; D63-C65 PolarHBondContact O-N 2.96Å
64P81.7Confident89.3Confident93 Ų9363.5 Ų63.560%0.60436%0.357SS*.  trans-73.877.8176.831.3-33.9000109.9S66P64-S66 VanDerWaalsContact C-N 3.32Å; P64-S66 PolarHBondContact O-N 3.37Å; P64-S66 PolarHBondContact O-OG 3.06Å
65C88.1Confident89.1Confident31 Ų3167 Ų6721%0.20937%0.37CS..  trans-5088.6170.6-90.40000111.4L32 C58 D63L32-C65 HydrophobicContact CD2-CB 3.78Å; C58-C65 WeakPolarHBondContact CA-SG 3.4Å; C58-C65 HydrophobicContact CB-CB 4.42Å; C58-C65 WeakPolarHBondContact CB-SG 3.26Å; C58-C65 WeakPolarHBondContact SG-CA 3.47Å; C58-C65 WeakPolarHBondContact SG-CB 3.4Å; C58-C65 CovalentContact SG-SG 2.04Å; C58-C65 PolarHBondContact SG-SG 3.35Å; D63-C65 PolarHBondContact O-N 2.96Å
66S90.5Very high88.7Confident67 Ų6771.3 Ų71.347%0.46939%0.385SS..  trans-142.9139.9-173.2570000111P64P64-S66 VanDerWaalsContact C-N 3.32Å; P64-S66 PolarHBondContact O-N 3.37Å; P64-S66 PolarHBondContact O-OG 3.06Å
67P91.8Very high88.2Confident34 Ų3473.8 Ų73.822%0.22140%0.396CS..  trans-62.3139.8171.1-18.532.2000110S28 L29 L32 S69S28-P67 WeakPolarHBondContact OG-CB 3.44Å; S28-P67 WeakPolarHBondContact OG-CG 3.47Å; L29-P67 HydrophobicContact CD2-CG 4.32Å; L32-P67 HydrophobicContact CD1-CG 3.77Å; P67-S69 PolarHBondContact O-N 3.08Å
68M91.6Very high87.5Confident17 Ų1772.2 Ų72.28%0.08440%0.395CS..  trans-44.2137.4166.2-172.9176.4-70.200111.9Y21 Y24 E72 Y73Y21-M68 PolarHBondContact OH-O 3.16Å; Y24-M68 HydrophobicContact CE1-CB 4.1Å; Y24-M68 VanDerWaalsContact OH-CB 3.25Å; Y24-M68 WeakPolarHBondContact OH-CB 3.09Å; Y24-M68 PolarHBondContact OH-N 3.29Å; M68-E72 HydrophobicContact CE-CG 4.09Å; M68-E72 HydrophobicContact CG-CB 3.45Å; M68-E72 VanDerWaalsContact CG-CB 3.45Å; M68-E72 HydrophobicContact CG-CG 3.58Å; M68-E72 HydrophobicContact SD-CB 3.99Å; M68-E72 HydrophobicContact SD-CG 3.68Å; M68-Y73 PolarHBondContact SD-N 3.26Å; M68-Y73 VanDerWaalsContact SD-N 3.43Å
69S92.7Very high86.6Confident58 Ų5874.6 Ų74.641%0.40642%0.419SS..  trans-65.7157.3176.169.10000111.4P67 E71 E72 Y73P67-S69 PolarHBondContact O-N 3.08Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E72 PolarHBondContact O-N 3.49Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 PolarHBondContact OG-N 3.32Å; S69-Y73 WeakPolarHBondContact O-CB 3.43Å; S69-Y73 PolarHBondContact O-N 3.4Å
70D91.9Very high85.3Confident75 Ų7575.7 Ų75.740%0.40143%0.425SS..Hα-helixtrans-56.8-39.8177.3-171.621.8000111.3Y21 E72 Y73 Q74Y21-D70 HydrophobicContact CD1-CB 4.06Å; Y21-D70 HydrophobicContact CD2-CB 4.38Å; Y21-D70 HydrophobicContact CE1-CB 3.75Å; Y21-D70 HydrophobicContact CE2-CB 4.1Å; Y21-D70 HydrophobicContact CG-CB 4.35Å; Y21-D70 PolarHBondContact OH-N 3.36Å; D70-E72 PolarHBondContact O-N 2.87Å; D70-Y73 PolarHBondContact O-N 3.27Å; D70-Q74 WeakPolarHBondContact O-CB 3.24Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.95Å
71E91.5Very high84Confident147 Ų14779.5 Ų79.569%0.68744%0.441SS*.Hα-helixtrans-60.7-41.8176.7-64.9-177-174.400113.3S69 K75S69-E71 PolarHBondContact O-N 2.98Å; E71-K75 WeakPolarHBondContact O-CG 3.45Å; E71-K75 PolarHBondContact O-N 3.41Å; E71-K75 VanDerWaalsContact O-N 3.16Å
72E90.3Very high82.3Confident88 Ų8880.3 Ų80.341%0.41144%0.438SS..Hα-helixtrans-75.7-35179.3-170.8-175.3176.300111.3M68 S69 D70 K75 R76M68-E72 HydrophobicContact CE-CG 4.09Å; M68-E72 HydrophobicContact CG-CB 3.45Å; M68-E72 VanDerWaalsContact CG-CB 3.45Å; M68-E72 HydrophobicContact CG-CG 3.58Å; M68-E72 HydrophobicContact SD-CB 3.99Å; M68-E72 HydrophobicContact SD-CG 3.68Å; S69-E72 PolarHBondContact O-N 3.49Å; S69-E72 VanDerWaalsContact O-N 3.13Å; S69-E72 PolarHBondContact OG-N 3.32Å; D70-E72 PolarHBondContact O-N 2.87Å; E72-K75 PolarHBondContact O-N 3Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 VanDerWaalsContact O-N 3.12Å
73Y90.9Very high80.2Confident1 Ų180.6 Ų80.60%0.00444%0.438CS..Hα-helixtrans-60.4-48.8172.3-177.2-92.3000111.2V16 F17 N19 Y21 Y24 M68 S69 D70 K75 R76 H77V16-Y73 PolarHBondContact O-OH 3.37Å; F17-Y73 AromaticContact CD1-CD2 3.87Å; F17-Y73 HydrophobicContact CD1-CD2 3.87Å; F17-Y73 AromaticContact CD1-CE2 3.51Å; F17-Y73 HydrophobicContact CD1-CE2 3.51Å; F17-Y73 AromaticContact CE1-CD2 3.82Å; F17-Y73 HydrophobicContact CE1-CD2 3.82Å; F17-Y73 AromaticContact CE1-CE2 3.85Å; F17-Y73 HydrophobicContact CE1-CE2 3.85Å; N19-Y73 PolarHBondContact O-OH 3.31Å; Y21-Y73 AromaticContact CD2-CD1 3.81Å; Y21-Y73 HydrophobicContact CD2-CD1 3.81Å; Y21-Y73 HydrophobicContact CD2-CD2 4.08Å; Y21-Y73 HydrophobicContact CD2-CE1 4.47Å; Y21-Y73 AromaticContact CD2-CG 3.6Å; Y21-Y73 HydrophobicContact CD2-CG 3.6Å; Y21-Y73 HydrophobicContact CE2-CG 4.35Å; Y21-Y73 HydrophobicContact CG-CD1 4.31Å; Y24-Y73 AromaticContact CD1-CD2 3.58Å; Y24-Y73 HydrophobicContact CD1-CD2 3.58Å; Y24-Y73 AromaticContact CD1-CE2 3.78Å; Y24-Y73 HydrophobicContact CD1-CE2 3.78Å; Y24-Y73 HydrophobicContact CD1-CG 4.45Å; Y24-Y73 HydrophobicContact CD2-CD2 4.36Å; Y24-Y73 HydrophobicContact CD2-CE2 4.01Å; Y24-Y73 AromaticContact CE1-CD2 3.98Å; Y24-Y73 HydrophobicContact CE1-CD2 3.98Å; Y24-Y73 AromaticContact CG-CD2 3.78Å; Y24-Y73 HydrophobicContact CG-CD2 3.78Å; Y24-Y73 AromaticContact CG-CE2 3.47Å; Y24-Y73 HydrophobicContact CG-CE2 3.47Å; Y24-Y73 VanDerWaalsContact CG-CE2 3.47Å; M68-Y73 PolarHBondContact SD-N 3.26Å; M68-Y73 VanDerWaalsContact SD-N 3.43Å; S69-Y73 WeakPolarHBondContact O-CB 3.43Å; S69-Y73 PolarHBondContact O-N 3.4Å; D70-Y73 PolarHBondContact O-N 3.27Å; Y73-K75 VanDerWaalsContact C-N 3.32Å; Y73-K75 PolarHBondContact O-N 2.99Å; Y73-R76 PolarHBondContact O-N 3.3Å; Y73-H77 HydrophobicContact CE1-CB 4.46Å; Y73-H77 AromaticContact CE1-CD2 3.92Å; Y73-H77 WeakPolarHBondContact O-CB 3.4Å; Y73-H77 PolarHBondContact O-N 3.46Å
74Q89.3Confident78.3Confident93 Ų9384.2 Ų84.244%0.43546%0.462SS..Hα-helixtrans-60.6-40.1176.8-68.9-66.3-21.100111.8D70 R76 H77 V78D70-Q74 WeakPolarHBondContact O-CB 3.24Å; D70-Q74 WeakPolarHBondContact O-CG 3.43Å; D70-Q74 PolarHBondContact O-N 2.95Å; Q74-R76 PolarHBondContact O-N 2.75Å; Q74-H77 PolarHBondContact O-N 3.01Å; Q74-V78 WeakPolarHBondContact O-CB 3.07Å; Q74-V78 VanDerWaalsContact O-CG2 3.26Å; Q74-V78 WeakPolarHBondContact O-CG2 3.43Å; Q74-V78 PolarHBondContact O-N 3.42Å
75K89.1Confident76.4Confident156 Ų15685.4 Ų85.468%0.67847%0.467SS*.Hα-helixtrans-59.9-43.8175.6-77.7173.9-175.51710112.4E71 E72 Y73 G79E71-K75 WeakPolarHBondContact O-CG 3.45Å; E71-K75 PolarHBondContact O-N 3.41Å; E71-K75 VanDerWaalsContact O-N 3.16Å; E72-K75 PolarHBondContact O-N 3Å; Y73-K75 VanDerWaalsContact C-N 3.32Å; Y73-K75 PolarHBondContact O-N 2.99Å; K75-G79 PolarHBondContact O-N 2.95Å
76R84.1Confident74.1Confident120 Ų12089 Ų8945%0.45349%0.493SS..Hα-helixtrans-71.7-40.2176.8-74.3-162.6-177.1-174.45.5112.5F17 E72 Y73 Q74 V78 G79 L80F17-R76 HydrophobicContact CE1-CB 4.28Å; E72-R76 PolarHBondContact O-N 2.88Å; E72-R76 VanDerWaalsContact O-N 3.12Å; Y73-R76 PolarHBondContact O-N 3.3Å; Q74-R76 PolarHBondContact O-N 2.75Å; R76-V78 VanDerWaalsContact C-N 3.28Å; R76-V78 PolarHBondContact O-N 3.41Å; R76-G79 PolarHBondContact O-N 3.4Å; R76-G79 VanDerWaalsContact O-N 3.13Å; R76-L80 PolarHBondContact O-N 3.2Å
77H83.5Confident71.5Confident55 Ų5591 Ų9126%0.25551%0.507SS..Hα-helixtrans-60.8-38.4177.5-170-50.8000111.3F17 Y73 Q74F17-H77 PolarHBondContact O-CD2 2.82Å; F17-H77 PolarHBondContact O-NE2 3.12Å; Y73-H77 HydrophobicContact CE1-CB 4.46Å; Y73-H77 AromaticContact CE1-CD2 3.92Å; Y73-H77 WeakPolarHBondContact O-CB 3.4Å; Y73-H77 PolarHBondContact O-N 3.46Å; Q74-H77 PolarHBondContact O-N 3.01Å
78V76.4Confident68.9Low91 Ų91100.6 Ų100.655%0.55254%0.54SS*.Hα-helixtrans-71.7-33.8175.7174.50000111.9Q74 R76 L80 I81Q74-V78 WeakPolarHBondContact O-CB 3.07Å; Q74-V78 VanDerWaalsContact O-CG2 3.26Å; Q74-V78 WeakPolarHBondContact O-CG2 3.43Å; Q74-V78 PolarHBondContact O-N 3.42Å; R76-V78 VanDerWaalsContact C-N 3.28Å; R76-V78 PolarHBondContact O-N 3.41Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 PolarHBondContact O-N 2.96Å; V78-I81 PolarHBondContact O-N 3.1Å
79G69.1Low66.6Low50 Ų50107.5 Ų107.552%0.51557%0.572SS.*Hα-helixtrans-63.9-29.4175.400000114.2K75 R76K75-G79 PolarHBondContact O-N 2.95Å; R76-G79 PolarHBondContact O-N 3.4Å; R76-G79 VanDerWaalsContact O-N 3.13Å
80L60.3Low63.9Low113 Ų113111.1 Ų111.159%0.59259%0.587SS**THydrogen-bonded Turntrans-79.1-12.6179-89.5150.3000114.3F17 R76 V78 I82F17-L80 HydrophobicContact CB-CD1 3.77Å; F17-L80 HydrophobicContact CD2-CD1 4.34Å; F17-L80 HydrophobicContact CG-CD1 4.13Å; R76-L80 PolarHBondContact O-N 3.2Å; V78-L80 VanDerWaalsContact C-N 3.28Å; V78-L80 PolarHBondContact O-N 2.96Å; L80-I82 VanDerWaalsContact C-N 3.29Å
81I58.1Low61.4Low119 Ų119114.2 Ų114.261%0.6161%0.608SS**THydrogen-bonded Turntrans-82-9.9179.9-61.7171.7000111.7V78 P83V78-I81 PolarHBondContact O-N 3.1Å; I81-P83 WeakPolarHBondContact O-CD 3.25Å
82I48.4Very low58.9Low123 Ų123112.1 Ų112.163%0.63161%0.605SS**SBendtrans-83.2114.1170.5-56178.1000108.3L80 V84L80-I82 VanDerWaalsContact C-N 3.29Å; I82-V84 PolarHBondContact O-N 3.17Å
83P41.4Very low56.4Low103 Ų103113.4 Ų113.467%0.66962%0.621SS**  trans-69.3103.8-179.228-31000108.9I81 T85I81-P83 WeakPolarHBondContact O-CD 3.25Å; P83-T85 PolarHBondContact O-N 3.27Å
84V43.5Very low53.9Low135 Ų135117.9 Ų117.982%0.81865%0.653SS**  trans-73.882.8166-177.30000107.4I82I82-V84 PolarHBondContact O-N 3.17Å
85T41.2Very low51.9Low117 Ų117119.7 Ų119.772%0.71867%0.67SS**  trans-67.9138.916042.90000109.4P83P83-T85 PolarHBondContact O-N 3.27Å
86S41Very low49.9Very low108 Ų108121 Ų12176%0.75568%0.679SS**SBendtrans72.795.6170.278.30000117.9
87S36.5Very low48.1Very low107 Ų107124.1 Ų124.175%0.74870%0.696SS**  165.786.2101.372.80000110.7H89S87-H89 PolarHBondContact O-N 3.22Å
88Y36.1Very low46.4Very low236 Ų236126.7 Ų126.793%0.92572%0.719SS**  trans-87.385.9157.9-97.9-92000107.4
89H42.5Very low45.5Very low163 Ų163126 Ų12676%0.75571%0.712SS**  trans-125.4118.1164.3-101.7-54.9000108S87S87-H89 PolarHBondContact O-N 3.22Å
90N37.5Very low44.8Very low134 Ų134128.9 Ų128.972%0.71772%0.722SS**  trans50.587.6159.1-59.8-8.9000116.7T92N90-T92 PolarHBondContact O-N 3.03Å; N90-T92 PolarHBondContact O-OG1 3.24Å
91V38.3Very low44.8Very low140 Ų140130 Ų13085%0.84873%0.728SS**  trans-73.771.5154.7-173.40000108.2
92T38.8Very low45Very low102 Ų102126 Ų12663%0.62671%0.711SS**  trans-61.6141.2142.10.40000106.5N90 S94N90-T92 PolarHBondContact O-N 3.03Å; N90-T92 PolarHBondContact O-OG1 3.24Å; T92-S94 PolarHBondContact O-N 2.9Å
93P37.7Very low45.8Very low115 Ų115124.5 Ų124.575%0.74771%0.712SS**  trans-70.984.8-175.929.6-32.3000109.4V95P93-V95 PolarHBondContact O-N 2.95Å
94S38.4Very low47.2Very low95 Ų95124.6 Ų124.666%0.66472%0.715SS**  trans-77.960.9168.163.90000109.1T92 E96T92-S94 PolarHBondContact O-N 2.9Å; S94-E96 PolarHBondContact O-N 3.49Å
95V48.7Very low48.8Very low132 Ų132120.7 Ų120.780%0.869%0.689SS**  trans-93.255.4159.7-171.10000106.8P93P93-V95 PolarHBondContact O-N 2.95Å
96E45.6Very low50.5Low184 Ų184117.5 Ų117.586%0.8667%0.672SS**  trans-115.618.1170.8-138.5176.7-158.500110.1S94 S98S94-E96 PolarHBondContact O-N 3.49Å; E96-S98 VanDerWaalsContact C-N 3.3Å; E96-S98 PolarHBondContact O-N 3.29Å
97K47.3Very low52.2Low185 Ų185113.2 Ų113.280%0.80464%0.641SS**SBendtrans-72.687.8173.8-76.6-175.2177.9177.20109.7L99K97-L99 PolarHBondContact O-N 3.18Å
98S48.6Very low54.2Low108 Ų108109.5 Ų109.576%0.75561%0.611SS**  trans43.271.5155.6620000115.1E96 P100E96-S98 VanDerWaalsContact C-N 3.3Å; E96-S98 PolarHBondContact O-N 3.29Å; S98-P100 WeakPolarHBondContact O-CD 3.38Å
99L56.2Low56.3Low77 Ų77101.6 Ų101.640%0.40359%0.585SS.*  trans-66.3122.3164.7-139.479.6000108.3K97 N101 Y110 L113K97-L99 PolarHBondContact O-N 3.18Å; L99-N101 PolarHBondContact O-N 3.05Å; L99-Y110 HydrophobicContact CD2-CD2 3.69Å; L99-Y110 HydrophobicContact CD2-CE2 3.34Å; L99-L113 HydrophobicContact CD1-CD2 3.68Å; L99-L113 HydrophobicContact CD1-CG 4.39Å; L99-L113 HydrophobicContact CD2-CD2 3.97Å; L99-L113 HydrophobicContact CG-CD2 3.77Å
100P55Low57.9Low110 Ų11094.7 Ų94.771%0.71455%0.552SS**THydrogen-bonded Turntrans-61.9127.5-179.123.1-31.5000110.7S98 S102S98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.1Å
101N59.8Low59.7Low136 Ų13688.3 Ų88.373%0.72752%0.518SS*.THydrogen-bonded Turntrans19.673.6176.8-91.1-4.4000114.8L99 S103 S104L99-N101 PolarHBondContact O-N 3.05Å; N101-S103 PolarHBondContact O-N 2.9Å; N101-S104 PolarHBondContact O-N 3.15Å; N101-S104 PolarHBondContact O-OG 2.81Å
102S61.8Low61.5Low35 Ų3585.3 Ų85.325%0.24550%0.495CS..THydrogen-bonded Turntrans-57.6-19-178.359.70000114.2P100 S104 K291P100-S102 PolarHBondContact O-N 2.77Å; P100-S102 VanDerWaalsContact O-N 3.1Å; S102-S104 PolarHBondContact O-N 3.28Å; S102-K291 WeakPolarHBondContact O-CE 3.19Å; S102-K291 PolarHBondContact O-NZ 2.56Å
103S66.1Low63.4Low92 Ų9284.2 Ų84.264%0.64349%0.485SS*.THydrogen-bonded Turntrans-66-34.1-17656.60000113.9N101 K291N101-S103 PolarHBondContact O-N 2.9Å; S103-K291 PolarHBondContact O-NZ 3.4Å
104S71.7Confident65.1Low105 Ų10581.1 Ų81.173%0.73446%0.461SS*.SBendtrans-89-15.1-176.362.10000114.8N101 S102N101-S104 PolarHBondContact O-N 3.15Å; N101-S104 PolarHBondContact O-OG 2.81Å; S102-S104 PolarHBondContact O-N 3.28Å
105L76.5Confident66.6Low54 Ų5477.2 Ų77.228%0.28344%0.435SS..SBendtrans-76.3134.2-176.8-156.763.7000110.2N109 L113 K291L105-N109 HydrophobicContact CD1-CB 3.64Å; L105-N109 HydrophobicContact CD2-CB 4.13Å; L105-N109 HydrophobicContact CG-CB 3.57Å; L105-L113 HydrophobicContact CD2-CD2 4.26Å; L105-K291 PolarHBondContact O-NZ 3.47Å
106S77.1Confident67Low50 Ų5075.2 Ų75.235%0.3542%0.42SS..  trans-58.5148.9172.366.80000109.5F108 N109 Y110S106-F108 PolarHBondContact O-N 2.9Å; S106-N109 PolarHBondContact O-N 3.41Å; S106-N109 VanDerWaalsContact O-N 3.07Å; S106-N109 WeakPolarHBondContact OG-CB 3.35Å; S106-N109 PolarHBondContact OG-N 2.82Å; S106-N109 PolarHBondContact OG-ND2 2.79Å; S106-Y110 WeakPolarHBondContact O-CB 3.27Å; S106-Y110 PolarHBondContact O-N 2.83Å
107V76.2Confident67.6Low18 Ų1873 Ų7311%0.10941%0.414CS..Hα-helixtrans-50.8-45.3-179.91730000110.7Y110 M111 E207 K291 V293V107-Y110 PolarHBondContact O-N 3.17Å; V107-M111 WeakPolarHBondContact O-CG 2.98Å; V107-M111 PolarHBondContact O-N 3.14Å; V107-E207 HydrophobicContact CB-CG 4.46Å; V107-E207 HydrophobicContact CG1-CG 4.39Å; V107-K291 HydrophobicContact CG2-CB 4.45Å; V107-K291 HydrophobicContact CG2-CD 4.44Å; V107-V293 HydrophobicContact CG1-CB 4.39Å; V107-V293 HydrophobicContact CG1-CG1 3.53Å; V107-V293 HydrophobicContact CG1-CG2 4.25Å
108F77.5Confident68.2Low28 Ų2870.2 Ų70.212%0.12341%0.406CS..Hα-helixtrans-60.3-50177.1179.3-98000112.8S106 Y110 M111 Q112 F202 I203 M206S106-F108 PolarHBondContact O-N 2.9Å; F108-Y110 VanDerWaalsContact C-N 3.28Å; F108-Y110 PolarHBondContact O-N 2.04Å; F108-M111 PolarHBondContact O-N 3.42Å; F108-Q112 VanDerWaalsContact O-CB 3.3Å; F108-Q112 WeakPolarHBondContact O-CB 3.36Å; F108-Q112 PolarHBondContact O-N 2.85Å; F108-F202 HydrophobicContact CD2-CE1 4.46Å; F108-F202 AromaticContact CE2-CD1 3.92Å; F108-F202 HydrophobicContact CE2-CD1 3.92Å; F108-F202 AromaticContact CE2-CE1 3.38Å; F108-F202 HydrophobicContact CE2-CE1 3.38Å; F108-F202 HydrophobicContact CE2-CZ 4.22Å; F108-F202 HydrophobicContact CZ-CD1 4Å; F108-F202 AromaticContact CZ-CE1 3.5Å; F108-F202 HydrophobicContact CZ-CE1 3.5Å; F108-I203 HydrophobicContact CB-CG2 3.89Å; F108-I203 HydrophobicContact CD1-CG1 4.21Å; F108-I203 HydrophobicContact CG-CG1 4.25Å; F108-I203 HydrophobicContact CG-CG2 4.44Å; F108-M206 HydrophobicContact CD2-CB 3.86Å; F108-M206 HydrophobicContact CD2-CG 3.96Å; F108-M206 HydrophobicContact CE2-CB 4.35Å; F108-M206 HydrophobicContact CE2-CG 3.94Å
109N80.4Confident69.1Low70 Ų7067.8 Ų67.837%0.37439%0.387SS..Hα-helixtrans-64.5-34.3179.5-72.7-8.2000111.9L105 S106 L113L105-N109 HydrophobicContact CD1-CB 3.64Å; L105-N109 HydrophobicContact CD2-CB 4.13Å; L105-N109 HydrophobicContact CG-CB 3.57Å; S106-N109 PolarHBondContact O-N 3.41Å; S106-N109 VanDerWaalsContact O-N 3.07Å; S106-N109 WeakPolarHBondContact OG-CB 3.35Å; S106-N109 PolarHBondContact OG-N 2.82Å; S106-N109 PolarHBondContact OG-ND2 2.79Å; N109-L113 VanDerWaalsContact O-CB 3.3Å; N109-L113 WeakPolarHBondContact O-CB 3.31Å; N109-L113 PolarHBondContact O-N 2.86Å
110Y77.3Confident70Confident19 Ų1967 Ų678%0.07540%0.398CS..Hα-helixtrans-65.1-46.5174.5177.1-93.5000111.7L99 S106 V107 F108 L113 I114 Y288 K291L99-Y110 HydrophobicContact CD2-CD2 3.69Å; L99-Y110 HydrophobicContact CD2-CE2 3.34Å; S106-Y110 WeakPolarHBondContact O-CB 3.27Å; S106-Y110 PolarHBondContact O-N 2.83Å; V107-Y110 PolarHBondContact O-N 3.17Å; F108-Y110 VanDerWaalsContact C-N 3.28Å; F108-Y110 PolarHBondContact O-N 2.04Å; Y110-L113 PolarHBondContact O-N 2.98Å; Y110-I114 HydrophobicContact CD1-CD1 3.83Å; Y110-I114 HydrophobicContact CD2-CD1 4.46Å; Y110-I114 HydrophobicContact CE1-CD1 3.32Å; Y110-I114 HydrophobicContact CE2-CD1 4.05Å; Y110-I114 HydrophobicContact CG-CD1 4.37Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.44Å; Y110-I114 WeakPolarHBondContact O-CG1 2.92Å; Y110-I114 PolarHBondContact O-N 2.7Å; Y110-Y288 HydrophobicContact CE1-CD1 4.15Å; Y110-Y288 HydrophobicContact CE1-CG 4.4Å; Y110-K291 HydrophobicContact CD1-CG 4.37Å
111M75.3Confident71.3Confident0 Ų063 Ų630%037%0.372CS..Hα-helixtrans-66-43.4177.2-69.3-59.5-143.500111.6V107 F108 L113 I114 A115 Y122 Y288 V293 R295V107-M111 WeakPolarHBondContact O-CG 2.98Å; V107-M111 PolarHBondContact O-N 3.14Å; F108-M111 PolarHBondContact O-N 3.42Å; M111-L113 VanDerWaalsContact C-N 3.31Å; M111-L113 PolarHBondContact O-N 3.39Å; M111-I114 PolarHBondContact O-N 2.75Å; M111-I114 VanDerWaalsContact O-N 3.11Å; M111-A115 VanDerWaalsContact O-CB 3.27Å; M111-A115 WeakPolarHBondContact O-CB 3.4Å; M111-A115 PolarHBondContact O-N 3.02Å; M111-Y122 HydrophobicContact CB-CD2 4.15Å; M111-Y122 HydrophobicContact CB-CE2 3.55Å; M111-Y122 WeakPolarHBondContact CE-OH 3.2Å; M111-Y122 HydrophobicContact CG-CE2 3.78Å; M111-Y288 HydrophobicContact CE-CD2 4.17Å; M111-Y288 HydrophobicContact SD-CD2 4.47Å; M111-V293 HydrophobicContact CE-CB 3.54Å; M111-V293 HydrophobicContact CE-CG2 3.22Å; M111-V293 HydrophobicContact SD-CG2 4.28Å; M111-R295 HydrophobicContact CE-CG 3.8Å; M111-R295 HydrophobicContact SD-CG 4.1Å; M111-R295 VanDerWaalsContact SD-CZ 3.59Å; M111-R295 PolarHBondContact SD-NE 3.4Å
112Q76.3Confident72.5Confident76 Ų7657.4 Ų57.436%0.35534%0.341SS..Hα-helixtrans-60.6-40.8176.1-170.3177.424.900111.3F108 I114 A115 N116F108-Q112 VanDerWaalsContact O-CB 3.3Å; F108-Q112 WeakPolarHBondContact O-CB 3.36Å; F108-Q112 PolarHBondContact O-N 2.85Å; Q112-I114 PolarHBondContact O-N 3.35Å; Q112-A115 PolarHBondContact O-N 2.82Å; Q112-N116 WeakPolarHBondContact CG-ND2 3.49Å; Q112-N116 WeakPolarHBondContact CG-OD1 3.47Å; Q112-N116 WeakPolarHBondContact O-CB 3.48Å; Q112-N116 PolarHBondContact O-N 3.01Å
113L77.9Confident73.7Confident79 Ų7956.1 Ų56.141%0.41433%0.332SS..Hα-helixtrans-60.2-35.8176.1-175.268.4000112.3L99 L105 N109 Y110 M111L99-L113 HydrophobicContact CD1-CD2 3.68Å; L99-L113 HydrophobicContact CD1-CG 4.39Å; L99-L113 HydrophobicContact CD2-CD2 3.97Å; L99-L113 HydrophobicContact CG-CD2 3.77Å; L105-L113 HydrophobicContact CD2-CD2 4.26Å; N109-L113 VanDerWaalsContact O-CB 3.3Å; N109-L113 WeakPolarHBondContact O-CB 3.31Å; N109-L113 PolarHBondContact O-N 2.86Å; Y110-L113 PolarHBondContact O-N 2.98Å; M111-L113 VanDerWaalsContact C-N 3.31Å; M111-L113 PolarHBondContact O-N 3.39Å
114I74.5Confident74.7Confident50 Ų5054.8 Ų54.826%0.25632%0.317SS..Hα-helixtrans-84.1-32.4-179.7-57.8164.4000111.2Y110 M111 Q112 Y288 R295Y110-I114 HydrophobicContact CD1-CD1 3.83Å; Y110-I114 HydrophobicContact CD2-CD1 4.46Å; Y110-I114 HydrophobicContact CE1-CD1 3.32Å; Y110-I114 HydrophobicContact CE2-CD1 4.05Å; Y110-I114 HydrophobicContact CG-CD1 4.37Å; Y110-I114 VanDerWaalsContact CZ-CD1 3.44Å; Y110-I114 WeakPolarHBondContact O-CG1 2.92Å; Y110-I114 PolarHBondContact O-N 2.7Å; M111-I114 PolarHBondContact O-N 2.75Å; M111-I114 VanDerWaalsContact O-N 3.11Å; Q112-I114 PolarHBondContact O-N 3.35Å; I114-Y288 HydrophobicContact CD1-CD1 4.44Å; I114-Y288 HydrophobicContact CD1-CE1 4.18Å; I114-R295 VanDerWaalsContact CB-NH1 3.29Å
115A69.1Low75.6Confident13 Ų1352.1 Ų52.111%0.10729%0.291CS..Hα-helixtrans-83.8-33.7-177.600000113.5M111 Q112 N117 I118 C121M111-A115 VanDerWaalsContact O-CB 3.27Å; M111-A115 WeakPolarHBondContact O-CB 3.4Å; M111-A115 PolarHBondContact O-N 3.02Å; Q112-A115 PolarHBondContact O-N 2.82Å; A115-N117 PolarHBondContact O-N 3.26Å; A115-I118 PolarHBondContact O-N 3.2Å; A115-C121 VanDerWaalsContact CB-O 3.24Å; A115-C121 WeakPolarHBondContact CB-O 3.08Å
116N57.6Low76.2Confident91 Ų9149.6 Ų49.649%0.48728%0.278SS..THydrogen-bonded Turntrans-61.5-10.6-178.9-87.23.2000114.3Q112 I118Q112-N116 WeakPolarHBondContact CG-ND2 3.49Å; Q112-N116 WeakPolarHBondContact CG-OD1 3.47Å; Q112-N116 WeakPolarHBondContact O-CB 3.48Å; Q112-N116 PolarHBondContact O-N 3.01Å; N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 3.22Å
117N56.6Low76.7Confident136 Ų13649.4 Ų49.473%0.72728%0.276SS*.THydrogen-bonded Turntrans-75.6-12.1180-92.4-16.6000114A115A115-N117 PolarHBondContact O-N 3.26Å
118I61.1Low77.2Confident127 Ų12749.2 Ų49.265%0.65128%0.275SS*.THydrogen-bonded Turntrans-138.3-48.8-174.4-47.2-179.7000115.2A115 N116A115-I118 PolarHBondContact O-N 3.2Å; N116-I118 VanDerWaalsContact C-N 3.28Å; N116-I118 PolarHBondContact O-N 3.22Å
119T67.5Low77.7Confident57 Ų5752.7 Ų52.735%0.3529%0.29SS..THydrogen-bonded Turntrans-128.3-9.1-165.457.80000116.4C121T119-C121 PolarHBondContact O-N 2.85Å; T119-C121 VanDerWaalsContact O-N 3.07Å
120G73.8Confident78.1Confident61 Ų6156 Ų5663%0.62930%0.303SS*.SBendtrans68.1-0.4-174.800000115.4
121C83.4Confident78.7Confident27 Ų2761.7 Ų61.718%0.18233%0.325CS..SBendtrans-90.9162.6172.1-55.20000111A115 T119 C127A115-C121 VanDerWaalsContact CB-O 3.24Å; A115-C121 WeakPolarHBondContact CB-O 3.08Å; T119-C121 PolarHBondContact O-N 2.85Å; T119-C121 VanDerWaalsContact O-N 3.07Å; C121-C127 VanDerWaalsContact CA-SG 3.58Å; C121-C127 HydrophobicContact CB-CB 3.6Å; C121-C127 WeakPolarHBondContact CB-SG 3.18Å; C121-C127 WeakPolarHBondContact SG-CB 3.27Å; C121-C127 CovalentContact SG-SG 2.04Å; C121-C127 PolarHBondContact SG-SG 3.32Å
122Y84Confident79.4Confident18 Ų1862.3 Ų62.37%0.07133%0.329CS..SBendtrans-70.3-44.4176.6-179.4-86000111.4M111 I126 M206 Y209 R295M111-Y122 HydrophobicContact CB-CD2 4.15Å; M111-Y122 HydrophobicContact CB-CE2 3.55Å; M111-Y122 WeakPolarHBondContact CE-OH 3.2Å; M111-Y122 HydrophobicContact CG-CE2 3.78Å; Y122-I126 PolarHBondContact N-O 3.18Å; Y122-M206 HydrophobicContact CD2-CB 4.23Å; Y122-M206 HydrophobicContact CD2-CG 4.29Å; Y122-M206 HydrophobicContact CD2-SD 3.94Å; Y122-M206 HydrophobicContact CE2-CB 4.01Å; Y122-M206 HydrophobicContact CG-SD 4.11Å; Y122-Y209 AromaticContact CD1-CD1 3.89Å; Y122-Y209 HydrophobicContact CD1-CD1 3.89Å; Y122-Y209 AromaticContact CD1-CE1 3.71Å; Y122-Y209 HydrophobicContact CD1-CE1 3.71Å; Y122-Y209 AromaticContact CE1-CD1 3.57Å; Y122-Y209 HydrophobicContact CE1-CD1 3.57Å; Y122-Y209 AromaticContact CE1-CE1 3.61Å; Y122-Y209 HydrophobicContact CE1-CE1 3.61Å; Y122-R295 HydrophobicContact CD1-CG 4.31Å; Y122-R295 HydrophobicContact CE1-CG 3.82Å; Y122-R295 WeakPolarHBondContact O-CD 3.32Å
123D88.3Confident80.2Confident8 Ų859.6 Ų59.64%0.04332%0.318CS..SBendtrans-152.8-17117269.214.5000110.7Y125 I126 Y209 R295 V296D123-Y125 PolarHBondContact O-N 3.23Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.42Å; D123-Y125 PolarHBondContact OD1-N 3.04Å; D123-I126 PolarHBondContact N-O 3.36Å; D123-I126 PolarHBondContact OD1-N 3.06Å; D123-Y209 WeakPolarHBondContact OD2-CE1 3.18Å; D123-Y209 PolarHBondContact OD2-OH 3.29Å; D123-R295 HydrophobicContact CB-CB 4.07Å; D123-R295 HydrophobicContact CB-CG 4.08Å; D123-V296 VanDerWaalsContact CB-O 3.27Å; D123-V296 WeakPolarHBondContact CB-O 3.27Å; D123-V296 WeakPolarHBondContact OD2-CB 3.4Å; D123-V296 PolarHBondContact OD2-N 2.93Å
124D87.5Confident80.9Confident64 Ų6463.4 Ų63.434%0.34233%0.328SS..SBendtrans-72.3-12.2-177-67.5-18.6000112.7V296 L297 L298D124-V296 PolarHBondContact N-O 3.5Å; D124-V296 VanDerWaalsContact N-O 3.17Å; D124-L297 WeakPolarHBondContact OD2-CA 3.39Å; D124-L298 HydrophobicContact CB-CD1 4.05Å; D124-L298 HydrophobicContact CB-CG 3.88Å; D124-L298 PolarHBondContact OD2-N 3.39Å
125Y89.3Confident81.9Confident48 Ų4863 Ų6319%0.18833%0.328CS..SBendtrans-103.7-37.5-179.4177.7-110000112.8D123 Y209 I217 L221D123-Y125 PolarHBondContact O-N 3.23Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.42Å; D123-Y125 PolarHBondContact OD1-N 3.04Å; Y125-Y209 HydrophobicContact CD1-CE2 4.31Å; Y125-I217 HydrophobicContact CD1-CD1 3.93Å; Y125-I217 HydrophobicContact CD1-CG1 3.99Å; Y125-I217 HydrophobicContact CD1-CG2 4.06Å; Y125-I217 HydrophobicContact CD2-CG2 4.21Å; Y125-I217 HydrophobicContact CE1-CD1 3.39Å; Y125-I217 HydrophobicContact CE1-CG1 3.98Å; Y125-I217 HydrophobicContact CE1-CG2 4.27Å; Y125-I217 HydrophobicContact CE2-CG2 4.38Å; Y125-I217 HydrophobicContact CG-CG2 4.07Å; Y125-L221 HydrophobicContact CD2-CD2 4.28Å; Y125-L221 HydrophobicContact CE2-CD1 4.43Å; Y125-L221 HydrophobicContact CE2-CD2 3.7Å
126I88.9Confident83Confident2 Ų262.3 Ų62.31%0.0132%0.323CS..  trans-113.9115.6-176.6-59.7-157.1000111.4Y122 D123 D128 H196 M206 Y209Y122-I126 PolarHBondContact N-O 3.18Å; D123-I126 PolarHBondContact N-O 3.36Å; D123-I126 PolarHBondContact OD1-N 3.06Å; I126-D128 HydrophobicContact CG2-CB 4.06Å; I126-H196 WeakPolarHBondContact CD1-CE1 3.46Å; I126-M206 HydrophobicContact CG2-CE 4.06Å; I126-M206 HydrophobicContact CG2-SD 4.13Å; I126-Y209 HydrophobicContact CB-CE1 4.34Å; I126-Y209 HydrophobicContact CD1-CD1 3.82Å; I126-Y209 HydrophobicContact CD1-CD2 3.3Å; I126-Y209 HydrophobicContact CD1-CE1 3.7Å; I126-Y209 HydrophobicContact CD1-CE2 3.18Å; I126-Y209 HydrophobicContact CD1-CG 3.63Å; I126-Y209 HydrophobicContact CG1-CD2 4.42Å; I126-Y209 HydrophobicContact CG1-CE1 3.97Å; I126-Y209 HydrophobicContact CG1-CE2 3.89Å
127C87.7Confident84.8Confident46 Ų4659.7 Ų59.731%0.31131%0.308SS..  trans-120.334.7172.8-1550000112.5C121C121-C127 VanDerWaalsContact CA-SG 3.58Å; C121-C127 HydrophobicContact CB-CB 3.6Å; C121-C127 WeakPolarHBondContact CB-SG 3.18Å; C121-C127 WeakPolarHBondContact SG-CB 3.27Å; C121-C127 CovalentContact SG-SG 2.04Å; C121-C127 PolarHBondContact SG-SG 3.32Å
128D87.4Confident86.7Confident14 Ų1455.2 Ų55.28%0.07529%0.286CS..  trans-62139.4179-82.5-46.9000112I126 N136 Y197 F202 M206 E489 R492I126-D128 HydrophobicContact CG2-CB 4.06Å; D128-N136 PolarHBondContact OD1-ND2 2.91Å; D128-N136 VanDerWaalsContact OD1-ND2 3.07Å; D128-Y197 VanDerWaalsContact OD2-CE1 3.3Å; D128-Y197 WeakPolarHBondContact OD2-CE1 3.46Å; D128-Y197 PolarHBondContact OD2-OH 3.26Å; D128-F202 HydrophobicContact CB-CE2 3.98Å; D128-F202 WeakPolarHBondContact O-CZ 3.32Å; D128-M206 HydrophobicContact CB-CE 4.14Å; D128-E489 VanDerWaalsContact OD1-CD 3.29Å; D128-E489 VanDerWaalsContact OD1-OE2 3.05Å; D128-R492 IonicContact OD1-NH2 3.02Å; D128-R492 PolarHBondContact OD1-NH2 3.46Å; D128-R492 IonicContact OD2-NH2 3.92Å; D128-R492 PolarHBondContact OD2-NH2 3.18Å
129K87.3Confident88.3Confident100 Ų10051.7 Ų51.744%0.43527%0.269SS..  trans-102.5148.5177.2-61.9179.3-170.2166.70110.9Y131 N132K129-Y131 HydrophobicContact CB-CD1 3.81Å; K129-Y131 HydrophobicContact CB-CE1 3.54Å; K129-Y131 HydrophobicContact CD-CD1 4.36Å; K129-Y131 HydrophobicContact CD-CE1 3.34Å; K129-Y131 WeakPolarHBondContact CD-OH 3.34Å; K129-Y131 HydrophobicContact CG-CE1 4.09Å; K129-Y131 PolarHBondContact O-N 3.38Å; K129-Y131 VanDerWaalsContact O-N 3.12Å; K129-N132 PolarHBondContact O-N 2.95Å
130Q90Very high89.6Confident140 Ų14049.3 Ų49.365%0.65425%0.254SS*.G310 helixtrans-56.7-34.6-176.1-171.21766.100113.6N132 S133 F202Q130-N132 VanDerWaalsContact C-N 3.26Å; Q130-N132 PolarHBondContact O-N 3.45Å; Q130-S133 WeakPolarHBondContact O-CB 3.42Å; Q130-S133 PolarHBondContact O-N 3.35Å; Q130-S133 PolarHBondContact O-OG 3.09Å; Q130-F202 HydrophobicContact CB-CD1 4.07Å; Q130-F202 HydrophobicContact CB-CE1 4.4Å; Q130-F202 HydrophobicContact CB-CG 4.21Å; Q130-F202 HydrophobicContact CG-CB 4.04Å; Q130-F202 HydrophobicContact CG-CD1 4.12Å; Q130-F202 HydrophobicContact CG-CG 4.14Å
131Y90.1Very high90.6Very high138 Ų13846.4 Ų46.454%0.54122%0.224SC..G310 helixtrans-68.7-21.7178.268.2-101.9000113.7K129 D487K129-Y131 HydrophobicContact CB-CD1 3.81Å; K129-Y131 HydrophobicContact CB-CE1 3.54Å; K129-Y131 HydrophobicContact CD-CD1 4.36Å; K129-Y131 HydrophobicContact CD-CE1 3.34Å; K129-Y131 WeakPolarHBondContact CD-OH 3.34Å; K129-Y131 HydrophobicContact CG-CE1 4.09Å; K129-Y131 PolarHBondContact O-N 3.38Å; K129-Y131 VanDerWaalsContact O-N 3.12Å; Y131-D487 PolarHBondContact OH-OD2 3.38Å
132N90.1Very high91.3Very high14 Ų1448.4 Ų48.48%0.07524%0.235CC..G310 helixtrans-86.9-4.4177.1-74.9-24.2000113.1K129 Q130 Y134 P135 N136 D487K129-N132 PolarHBondContact O-N 2.95Å; Q130-N132 VanDerWaalsContact C-N 3.26Å; Q130-N132 PolarHBondContact O-N 3.45Å; N132-Y134 PolarHBondContact O-N 2.86Å; N132-P135 HydrophobicContact CB-CG 4.48Å; N132-P135 WeakPolarHBondContact O-CD 3.39Å; N132-P135 VanDerWaalsContact O-CG 3.26Å; N132-P135 WeakPolarHBondContact O-CG 3.24Å; N132-N136 WeakPolarHBondContact O-CB 3.39Å; N132-N136 PolarHBondContact O-N 3Å; N132-N136 PolarHBondContact O-ND2 2.69Å; N132-D487 PolarHBondContact ND2-OD2 3.28Å
133S91.9Very high91.9Very high18 Ų1850.4 Ų50.413%0.12625%0.249CC..Hα-helixtrans-58.5-45-177.756.80000113.7Q130 H137 Q205Q130-S133 WeakPolarHBondContact O-CB 3.42Å; Q130-S133 PolarHBondContact O-N 3.35Å; Q130-S133 PolarHBondContact O-OG 3.09Å; S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.23Å; S133-H137 PolarHBondContact O-N 3.42Å; S133-Q205 PolarHBondContact O-NE2 2.92Å
134Y93.8Very high92.3Very high159 Ų15950 Ų5062%0.62425%0.247SC*.Hα-helixtrans-67.1-50.8178.6-173.5-102.5000113.4N132 N136 H137 C138N132-Y134 PolarHBondContact O-N 2.86Å; Y134-N136 VanDerWaalsContact C-N 3.34Å; Y134-N136 PolarHBondContact O-N 3.45Å; Y134-H137 WeakPolarHBondContact O-CB 3.33Å; Y134-H137 PolarHBondContact O-N 3.33Å; Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 PolarHBondContact O-SG 3.38Å
135P93.6Very high92.7Very high41 Ų4149.2 Ų49.227%0.26624%0.242SC..Hα-helixtrans-64.1-36.9176.224-33.2000112.6N132 H137 C138 I139 M493N132-P135 HydrophobicContact CB-CG 4.48Å; N132-P135 WeakPolarHBondContact O-CD 3.39Å; N132-P135 VanDerWaalsContact O-CG 3.26Å; N132-P135 WeakPolarHBondContact O-CG 3.24Å; P135-H137 VanDerWaalsContact C-N 3.33Å; P135-H137 PolarHBondContact O-N 3.26Å; P135-C138 PolarHBondContact O-N 3.35Å; P135-I139 WeakPolarHBondContact O-CB 3.49Å; P135-I139 PolarHBondContact O-N 3.42Å; P135-M493 HydrophobicContact CB-CE 4.19Å
136N94Very high93.1Very high0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-59.1-45.4172.1-76-8.4000110.9D128 N132 Y134 L140 G141 Y197 M493D128-N136 PolarHBondContact OD1-ND2 2.91Å; D128-N136 VanDerWaalsContact OD1-ND2 3.07Å; N132-N136 WeakPolarHBondContact O-CB 3.39Å; N132-N136 PolarHBondContact O-N 3Å; N132-N136 PolarHBondContact O-ND2 2.69Å; Y134-N136 VanDerWaalsContact C-N 3.34Å; Y134-N136 PolarHBondContact O-N 3.45Å; N136-L140 WeakPolarHBondContact O-CA 3.28Å; N136-L140 VanDerWaalsContact O-CB 3.3Å; N136-L140 WeakPolarHBondContact O-CB 3.1Å; N136-L140 PolarHBondContact O-N 2.9Å; N136-G141 PolarHBondContact O-N 3.23Å; N136-Y197 HydrophobicContact CB-CD1 3.52Å; N136-Y197 HydrophobicContact CB-CE1 3.92Å; N136-Y197 HydrophobicContact CB-CG 4.13Å; N136-Y197 WeakPolarHBondContact ND2-CE1 3.47Å; N136-M493 WeakPolarHBondContact OD1-CE 3.47Å
137H95.5Very high93.5Very high36 Ų3652.2 Ų52.217%0.16726%0.264CS..Iπ-helixtrans-60.1-48.7176.6171.466.9000112.7S133 Y134 P135 G141 V142 Y197 L198 P199S133-H137 VanDerWaalsContact O-CB 3.32Å; S133-H137 WeakPolarHBondContact O-CB 3.23Å; S133-H137 PolarHBondContact O-N 3.42Å; Y134-H137 WeakPolarHBondContact O-CB 3.33Å; Y134-H137 PolarHBondContact O-N 3.33Å; P135-H137 VanDerWaalsContact C-N 3.33Å; P135-H137 PolarHBondContact O-N 3.26Å; H137-G141 CarbonylContact O-C 3.5Å; H137-G141 WeakPolarHBondContact O-CA 3.45Å; H137-G141 PolarHBondContact O-N 3.39Å; H137-V142 PolarHBondContact O-N 3.18Å; H137-Y197 VanDerWaalsContact CA-O 3.3Å; H137-Y197 WeakPolarHBondContact CA-O 3.45Å; H137-Y197 PolarHBondContact ND1-O 2.69Å; H137-Y197 VanDerWaalsContact ND1-O 3.14Å; H137-L198 PolarHBondContact CE1-O 2.93Å; H137-L198 PolarHBondContact ND1-O 3.38Å; H137-P199 PolarHBondContact ND1-O 3.36Å
138C96.1Very high94Very high41 Ų4150 Ų5028%0.27725%0.249SC..Iπ-helixtrans-65.2-45.1-179.4-67.10000112.4Y134 P135 V143Y134-C138 PolarHBondContact O-N 3.11Å; Y134-C138 PolarHBondContact O-SG 3.38Å; P135-C138 PolarHBondContact O-N 3.35Å; C138-V143 WeakPolarHBondContact O-CG2 3.08Å; C138-V143 PolarHBondContact O-N 3.29Å; C138-V143 VanDerWaalsContact O-N 3.09Å
139I95Very high94.4Very high54 Ų5453.3 Ų53.328%0.27727%0.266SS..Iπ-helixtrans-89.7-55.2-171.2-62.6168.9000111.5P135 V143 C144 M493 L497P135-I139 WeakPolarHBondContact O-CB 3.49Å; P135-I139 PolarHBondContact O-N 3.42Å; I139-V143 WeakPolarHBondContact O-CB 3.23Å; I139-C144 PolarHBondContact O-N 2.71Å; I139-C144 PolarHBondContact O-SG 3.37Å; I139-M493 HydrophobicContact CB-CG 4.24Å; I139-M493 HydrophobicContact CB-SD 3.94Å; I139-M493 HydrophobicContact CD1-SD 3.39Å; I139-M493 WeakPolarHBondContact CD1-SD 3.4Å; I139-M493 HydrophobicContact CG1-SD 4.23Å; I139-M493 HydrophobicContact CG2-CG 3.75Å; I139-M493 HydrophobicContact CG2-SD 3.96Å; I139-L497 HydrophobicContact CG2-CD2 4.2Å
140L94.6Very high94.9Very high6 Ų652 Ų523%0.03127%0.269CS..Iπ-helixtrans-81.6-31.9-177.6-60.6178.8000112.8N136 C144 Y197 M493 Q496N136-L140 WeakPolarHBondContact O-CA 3.28Å; N136-L140 VanDerWaalsContact O-CB 3.3Å; N136-L140 WeakPolarHBondContact O-CB 3.1Å; N136-L140 PolarHBondContact O-N 2.9Å; L140-C144 WeakPolarHBondContact O-CB 3.27Å; L140-Y197 HydrophobicContact CB-CD2 3.55Å; L140-Y197 HydrophobicContact CB-CE2 4.36Å; L140-Y197 HydrophobicContact CB-CG 3.94Å; L140-Y197 HydrophobicContact CD1-CD2 3.73Å; L140-Y197 HydrophobicContact CD1-CE2 3.69Å; L140-Y197 HydrophobicContact CD1-CG 4.39Å; L140-Y197 HydrophobicContact CG-CD2 4.29Å; L140-M493 HydrophobicContact CD1-CB 4.27Å; L140-M493 HydrophobicContact CD1-CG 4.3Å; L140-M493 HydrophobicContact CD2-CB 4.43Å; L140-M493 HydrophobicContact CD2-CG 4.02Å; L140-M493 HydrophobicContact CG-CB 4.44Å; L140-M493 HydrophobicContact CG-CG 3.96Å; L140-Q496 HydrophobicContact CD2-CB 3.91Å; L140-Q496 HydrophobicContact CD2-CG 3.88Å
141G94.9Very high95.2Very high0 Ų045.3 Ų45.30%024%0.238CC..Iπ-helixtrans-75.4-77.8171.700000110.8N136 H137 L145 V194N136-G141 PolarHBondContact O-N 3.23Å; H137-G141 CarbonylContact O-C 3.5Å; H137-G141 WeakPolarHBondContact O-CA 3.45Å; H137-G141 PolarHBondContact O-N 3.39Å; G141-L145 WeakPolarHBondContact O-CB 3.5Å; G141-L145 PolarHBondContact O-N 2.96Å; G141-L145 VanDerWaalsContact O-N 3.08Å; G141-V194 WeakPolarHBondContact O-CG1 3.26Å
142V96.4Very high95.6Very high69 Ų6940.5 Ų40.542%0.41822%0.221SC..Iπ-helixtrans-71.1-54.6-167.4-177.40000112.9H137 L145 T146H137-V142 PolarHBondContact O-N 3.18Å; V142-L145 PolarHBondContact O-N 3.15Å; V142-T146 WeakPolarHBondContact O-CG2 3.45Å; V142-T146 PolarHBondContact O-N 2.81Å
143V97.1Very high95.9Very high61 Ų6144.8 Ų44.837%0.3724%0.243SC..Iπ-helixtrans-64.4-50.5-176172.90000111C138 I139 L145 T146 L147 L497C138-V143 WeakPolarHBondContact O-CG2 3.08Å; C138-V143 PolarHBondContact O-N 3.29Å; C138-V143 VanDerWaalsContact O-N 3.09Å; I139-V143 WeakPolarHBondContact O-CB 3.23Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 3.45Å; V143-T146 PolarHBondContact O-N 2.03Å; V143-T146 PolarHBondContact O-OG1 3.24Å; V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.43Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.11Å; V143-L497 HydrophobicContact CG1-CD1 3.97Å
144C96.5Very high96.1Very high0 Ų044.7 Ų44.70%024%0.242CC..Hα-helixtrans-65.2-31.4179.9-65.50000112.9I139 L140 L147 C148 V194I139-C144 PolarHBondContact O-N 2.71Å; I139-C144 PolarHBondContact O-SG 3.37Å; L140-C144 WeakPolarHBondContact O-CB 3.27Å; C144-L147 PolarHBondContact O-N 3.4Å; C144-C148 WeakPolarHBondContact O-CB 3.42Å; C144-C148 PolarHBondContact O-N 3.23Å; C144-C148 PolarHBondContact O-SG 3.38Å; C144-V194 HydrophobicContact CB-CG2 3.88Å
145L97.4Very high96.2Very high47 Ų4737.3 Ų37.325%0.24621%0.214CC..Hα-helixtrans-58.6-50.8171.4-179.165.1000111.3G141 V142 V143 L147 C148 L149 L190 V194 L198G141-L145 WeakPolarHBondContact O-CB 3.5Å; G141-L145 PolarHBondContact O-N 2.96Å; G141-L145 VanDerWaalsContact O-N 3.08Å; V142-L145 PolarHBondContact O-N 3.15Å; V143-L145 VanDerWaalsContact C-N 3.3Å; V143-L145 PolarHBondContact O-N 3.45Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.27Å; L145-C148 PolarHBondContact O-N 3.18Å; L145-L149 HydrophobicContact CD1-CD1 4.06Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 4.06Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.34Å; L145-L190 HydrophobicContact CD1-CD1 3.94Å; L145-L190 HydrophobicContact CD1-CG 4.3Å; L145-V194 HydrophobicContact CB-CG1 3.54Å; L145-V194 HydrophobicContact CD1-CG1 3.92Å; L145-V194 HydrophobicContact CG-CG1 4.3Å; L145-L198 HydrophobicContact CD2-CD1 4.03Å
146T97.1Very high96.3Very high72 Ų7240.2 Ų40.244%0.44223%0.226SC..Hα-helixtrans-61.5-43.2-179.962.10000111.8V142 V143 C150V142-T146 WeakPolarHBondContact O-CG2 3.45Å; V142-T146 PolarHBondContact O-N 2.81Å; V143-T146 PolarHBondContact O-N 2.03Å; V143-T146 PolarHBondContact O-OG1 3.24Å; T146-C150 VanDerWaalsContact O-CB 3.3Å; T146-C150 WeakPolarHBondContact O-CB 3.48Å; T146-C150 PolarHBondContact O-N 3.1Å; T146-C150 PolarHBondContact O-SG 3.07Å
147L97.4Very high96.3Very high41 Ų4143.7 Ų43.722%0.21525%0.247CC..Hα-helixtrans-64.7-44177.8-68.2175.1000112.1V143 C144 L145 G151 L497 T500 M501 A504V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.43Å; V143-L147 WeakPolarHBondContact O-CG 3.3Å; V143-L147 PolarHBondContact O-N 3.11Å; C144-L147 PolarHBondContact O-N 3.4Å; L145-L147 VanDerWaalsContact C-N 3.34Å; L145-L147 PolarHBondContact O-N 3.27Å; L147-G151 PolarHBondContact O-N 3.06Å; L147-L497 HydrophobicContact CD1-CD1 3.99Å; L147-T500 HydrophobicContact CB-CG2 3.69Å; L147-T500 HydrophobicContact CD1-CG2 4.33Å; L147-M501 HydrophobicContact CD1-CG 3.79Å; L147-A504 HydrophobicContact CB-CB 4.42Å
148C97.5Very high96.1Very high0 Ų042 Ų420%024%0.239CC..Hα-helixtrans-62.7-46.9177.9-710000111.3C144 L145 G151 I152 M186 L190 T500C144-C148 WeakPolarHBondContact O-CB 3.42Å; C144-C148 PolarHBondContact O-N 3.23Å; C144-C148 PolarHBondContact O-SG 3.38Å; L145-C148 PolarHBondContact O-N 3.18Å; C148-G151 PolarHBondContact O-N 3.2Å; C148-I152 WeakPolarHBondContact O-CB 3.28Å; C148-I152 WeakPolarHBondContact O-CD1 3.41Å; C148-I152 WeakPolarHBondContact O-CG1 3.47Å; C148-I152 PolarHBondContact O-N 3.1Å; C148-M186 HydrophobicContact CB-CB 4.33Å; C148-L190 HydrophobicContact CB-CB 4.44Å; C148-L190 HydrophobicContact CB-CD1 4.22Å; C148-T500 VanDerWaalsContact SG-CG2 3.58Å
149L97.1Very high95.9Very high82 Ų8243.7 Ų43.743%0.42924%0.242SC..Hα-helixtrans-63-49.1179.3-68.9176.8000111.7L145 G151 I152 I153 L190L145-L149 HydrophobicContact CD1-CD1 4.06Å; L145-L149 HydrophobicContact CD1-CG 4.24Å; L145-L149 HydrophobicContact CG-CD1 4.06Å; L145-L149 WeakPolarHBondContact O-CG 3.48Å; L145-L149 PolarHBondContact O-N 3.34Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.14Å; L149-I152 PolarHBondContact O-N 3.08Å; L149-I153 WeakPolarHBondContact O-CD1 3.4Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.01Å; L149-I153 PolarHBondContact O-N 3.18Å; L149-L190 HydrophobicContact CD2-CD1 3.95Å; L149-L190 HydrophobicContact CG-CD1 4.39Å
150C96.8Very high95.7Very high73 Ų7344.1 Ų44.149%0.49325%0.248SC..Hα-helixtrans-60.2-42.7176.5-72.40000111.7T146 S154T146-C150 VanDerWaalsContact O-CB 3.3Å; T146-C150 WeakPolarHBondContact O-CB 3.48Å; T146-C150 PolarHBondContact O-N 3.1Å; T146-C150 PolarHBondContact O-SG 3.07Å; C150-S154 VanDerWaalsContact O-CB 3.26Å; C150-S154 WeakPolarHBondContact O-CB 3.31Å; C150-S154 PolarHBondContact O-N 3.25Å; C150-S154 PolarHBondContact O-OG 3.32Å
151G97.3Very high95.3Very high0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-66.4-44.3179.600000112.8L147 C148 L149 S154 N155L147-G151 PolarHBondContact O-N 3.06Å; C148-G151 PolarHBondContact O-N 3.2Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 3.14Å; G151-S154 PolarHBondContact O-N 2.93Å; G151-N155 WeakPolarHBondContact O-CB 3.15Å; G151-N155 PolarHBondContact O-N 2.98Å; G151-N155 PolarHBondContact O-ND2 3.37Å
152I97.8Very high95Very high37 Ų3744.2 Ų44.219%0.1925%0.249CC..Hα-helixtrans-61-50.7176.9-70.7164.7000109.9C148 L149 S154 N155 I156 M186C148-I152 WeakPolarHBondContact O-CB 3.28Å; C148-I152 WeakPolarHBondContact O-CD1 3.41Å; C148-I152 WeakPolarHBondContact O-CG1 3.47Å; C148-I152 PolarHBondContact O-N 3.1Å; L149-I152 PolarHBondContact O-N 3.08Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 3.44Å; I152-N155 PolarHBondContact O-N 3.25Å; I152-I156 HydrophobicContact CG2-CD1 3.66Å; I152-I156 HydrophobicContact CG2-CG1 4.44Å; I152-I156 WeakPolarHBondContact O-CB 3.45Å; I152-I156 VanDerWaalsContact O-CG1 3.28Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.92Å; I152-M186 HydrophobicContact CD1-CB 3.97Å; I152-M186 HydrophobicContact CG1-CB 3.69Å; I152-M186 HydrophobicContact CG1-CE 4.07Å; I152-M186 HydrophobicContact CG1-SD 4.42Å
153I96.9Very high94.5Very high104 Ų10444.3 Ų44.353%0.53325%0.247SC..Hα-helixtrans-58.3-47.2179.2-66.8166.7000110.1L149 N155 I156 V157L149-I153 WeakPolarHBondContact O-CD1 3.4Å; L149-I153 VanDerWaalsContact O-CG1 3.26Å; L149-I153 WeakPolarHBondContact O-CG1 3.01Å; L149-I153 PolarHBondContact O-N 3.18Å; I153-N155 PolarHBondContact O-N 3.17Å; I153-I156 PolarHBondContact O-N 3.29Å; I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 WeakPolarHBondContact O-CB 3.41Å; I153-V157 VanDerWaalsContact O-CG2 3.24Å; I153-V157 WeakPolarHBondContact O-CG2 3.02Å; I153-V157 PolarHBondContact O-N 2.04Å
154S95.9Very high93.8Very high16 Ų1647.1 Ų47.111%0.11225%0.254CS..Hα-helixtrans-65.5-40-177-56.20000112.8C150 G151 I152 V157 L158 P507 M508C150-S154 VanDerWaalsContact O-CB 3.26Å; C150-S154 WeakPolarHBondContact O-CB 3.31Å; C150-S154 PolarHBondContact O-N 3.25Å; C150-S154 PolarHBondContact O-OG 3.32Å; G151-S154 PolarHBondContact O-N 2.93Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 3.44Å; S154-V157 PolarHBondContact O-N 3.07Å; S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.15Å; S154-P507 VanDerWaalsContact CB-CB 3.45Å; S154-M508 VanDerWaalsContact OG-CE 3.25Å; S154-M508 WeakPolarHBondContact OG-CE 3.13Å
155N96.3Very high92.5Very high4 Ų450.2 Ų50.22%0.02129%0.286CS..Hα-helixtrans-67.5-41.3175.7-82.5-69.5000112G151 I152 I153 L158 F159 A179 C183 M186 P507G151-N155 WeakPolarHBondContact O-CB 3.15Å; G151-N155 PolarHBondContact O-N 2.98Å; G151-N155 PolarHBondContact O-ND2 3.37Å; I152-N155 PolarHBondContact O-N 3.25Å; I153-N155 PolarHBondContact O-N 3.17Å; N155-L158 PolarHBondContact O-N 3.39Å; N155-F159 WeakPolarHBondContact O-CB 3.23Å; N155-F159 PolarHBondContact O-N 3.35Å; N155-A179 HydrophobicContact CB-CB 4.27Å; N155-A179 WeakPolarHBondContact OD1-CA 3.36Å; N155-A179 WeakPolarHBondContact OD1-CB 3.33Å; N155-C183 WeakPolarHBondContact CB-SG 3.36Å; N155-M186 WeakPolarHBondContact ND2-CE 3.38Å; N155-P507 HydrophobicContact CB-CG 4.43Å; N155-P507 WeakPolarHBondContact ND2-CG 3.36Å; N155-P507 WeakPolarHBondContact OD1-CG 3.37Å
156I95.5Very high91.2Very high102 Ų10254.6 Ų54.652%0.52331%0.309SS..Hα-helixtrans-62.6-43.2175.6-69170.7000111I152 I153 F159 P160I152-I156 HydrophobicContact CG2-CD1 3.66Å; I152-I156 HydrophobicContact CG2-CG1 4.44Å; I152-I156 WeakPolarHBondContact O-CB 3.45Å; I152-I156 VanDerWaalsContact O-CG1 3.28Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.92Å; I153-I156 PolarHBondContact O-N 3.29Å; I156-F159 PolarHBondContact O-N 3.06Å; I156-P160 WeakPolarHBondContact O-CD 3.36Å
157V92.9Very high90.1Very high73 Ų7352 Ų5244%0.44229%0.292SS..Hα-helixtrans-64.8-40.1179168.40000111.6I153 S154 P160 L521I153-V157 HydrophobicContact CG2-CG2 4.29Å; I153-V157 WeakPolarHBondContact O-CB 3.41Å; I153-V157 VanDerWaalsContact O-CG2 3.24Å; I153-V157 WeakPolarHBondContact O-CG2 3.02Å; I153-V157 PolarHBondContact O-N 2.04Å; S154-V157 PolarHBondContact O-N 3.07Å; V157-P160 WeakPolarHBondContact O-CD 3.41Å; V157-L521 HydrophobicContact CG1-CD1 4.3Å; V157-L521 HydrophobicContact CG1-CD2 3.59Å; V157-L521 WeakPolarHBondContact O-CD2 3.1Å
158L92.3Very high89.3Confident0 Ų056 Ų560%031%0.305CS..Hα-helixtrans-77-21.6177.9-79.6170.9000114.1S154 N155 A161 Y162 P507 C510 I511 L521S154-L158 WeakPolarHBondContact O-CB 3.33Å; S154-L158 PolarHBondContact O-N 3.15Å; N155-L158 PolarHBondContact O-N 3.39Å; L158-A161 HydrophobicContact CD2-CB 4.32Å; L158-A161 WeakPolarHBondContact O-CA 3.31Å; L158-A161 VanDerWaalsContact O-CB 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.22Å; L158-A161 PolarHBondContact O-N 3.01Å; L158-Y162 HydrophobicContact CB-CD2 4.49Å; L158-Y162 HydrophobicContact CB-CE1 4.44Å; L158-Y162 HydrophobicContact CB-CE2 3.83Å; L158-Y162 WeakPolarHBondContact CD1-OH 3.31Å; L158-Y162 WeakPolarHBondContact O-CD2 3.34Å; L158-Y162 PolarHBondContact O-N 3.31Å; L158-P507 HydrophobicContact CD1-CB 3.48Å; L158-P507 VanDerWaalsContact CD1-CB 3.48Å; L158-P507 HydrophobicContact CD1-CG 4.3Å; L158-P507 WeakPolarHBondContact CD1-O 3.49Å; L158-C510 HydrophobicContact CD1-CB 4.09Å; L158-I511 HydrophobicContact CD1-CD1 4.19Å; L158-I511 HydrophobicContact CD1-CG1 4.08Å; L158-I511 HydrophobicContact CD2-CD1 4.44Å; L158-I511 HydrophobicContact CD2-CG1 3.91Å; L158-I511 HydrophobicContact CG-CD1 4.37Å; L158-I511 HydrophobicContact CG-CG1 4.3Å; L158-L521 HydrophobicContact CD2-CD1 3.92Å
159F92.1Very high88.7Confident76 Ų7656.4 Ų56.433%0.33331%0.307SS..Hα-helixtrans-57.1-46.6-176.2-176.5-98.1000113.2N155 I156 A161 Y162 N163 I180N155-F159 WeakPolarHBondContact O-CB 3.23Å; N155-F159 PolarHBondContact O-N 3.35Å; I156-F159 PolarHBondContact O-N 3.06Å; F159-A161 VanDerWaalsContact C-N 3.35Å; F159-A161 PolarHBondContact O-N 2.72Å; F159-Y162 PolarHBondContact O-N 3.38Å; F159-N163 PolarHBondContact O-N 3.1Å; F159-N163 PolarHBondContact O-ND2 3.29Å; F159-I180 HydrophobicContact CD2-CG1 4.13Å; F159-I180 HydrophobicContact CE2-CD1 3.6Å; F159-I180 HydrophobicContact CE2-CG1 3.56Å; F159-I180 HydrophobicContact CZ-CD1 4.04Å; F159-I180 HydrophobicContact CZ-CG1 4.27Å
160P89.2Confident88.3Confident64 Ų6452.7 Ų52.742%0.41629%0.289SS..Hα-helixtrans-59.2-41.5169.3-25.233.9000113.3I156 V157 Y162 N163 F164I156-P160 WeakPolarHBondContact O-CD 3.36Å; V157-P160 WeakPolarHBondContact O-CD 3.41Å; P160-Y162 PolarHBondContact O-N 3.29Å; P160-N163 CarbonylContact O-C 3.59Å; P160-N163 PolarHBondContact O-N 3.34Å; P160-F164 HydrophobicContact CB-CD2 4.42Å; P160-F164 HydrophobicContact CB-CE2 3.99Å; P160-F164 WeakPolarHBondContact O-CD2 3.09Å; P160-F164 PolarHBondContact O-N 3.3Å
161A87.8Confident88Confident2 Ų249.2 Ų49.22%0.01727%0.266CS..Hα-helixtrans-59.7-33.1-17900000112.8L158 F159 N167 A520 L521L158-A161 HydrophobicContact CD2-CB 4.32Å; L158-A161 WeakPolarHBondContact O-CA 3.31Å; L158-A161 VanDerWaalsContact O-CB 3.3Å; L158-A161 WeakPolarHBondContact O-CB 3.22Å; L158-A161 PolarHBondContact O-N 3.01Å; F159-A161 VanDerWaalsContact C-N 3.35Å; F159-A161 PolarHBondContact O-N 2.72Å; A161-N167 PolarHBondContact O-ND2 3.31Å; A161-A520 HydrophobicContact CB-CB 4.03Å; A161-L521 HydrophobicContact CB-CD2 4.08Å; A161-L521 HydrophobicContact CB-CG 4.33Å
162Y88.4Confident87.8Confident5 Ų549.3 Ų49.32%0.0227%0.266CS..Hα-helixtrans-74.1-31.6173.5-57.8-37.4000113.5L158 F159 P160 L175 S176 A179 C510 Y517L158-Y162 HydrophobicContact CB-CD2 4.49Å; L158-Y162 HydrophobicContact CB-CE1 4.44Å; L158-Y162 HydrophobicContact CB-CE2 3.83Å; L158-Y162 WeakPolarHBondContact CD1-OH 3.31Å; L158-Y162 WeakPolarHBondContact O-CD2 3.34Å; L158-Y162 PolarHBondContact O-N 3.31Å; F159-Y162 PolarHBondContact O-N 3.38Å; P160-Y162 PolarHBondContact O-N 3.29Å; Y162-L175 HydrophobicContact CD1-CB 4.34Å; Y162-L175 HydrophobicContact CD2-CB 4.35Å; Y162-L175 HydrophobicContact CE1-CB 4.2Å; Y162-L175 HydrophobicContact CE1-CD1 4.23Å; Y162-L175 HydrophobicContact CE2-CB 4.21Å; Y162-L175 HydrophobicContact CG-CB 4.42Å; Y162-S176 WeakPolarHBondContact CB-OG 3.5Å; Y162-A179 HydrophobicContact CE2-CB 4.09Å; Y162-C510 PolarHBondContact OH-SG 3.39Å; Y162-Y517 AromaticContact CD1-CD1 3.89Å; Y162-Y517 HydrophobicContact CD1-CD1 3.89Å; Y162-Y517 AromaticContact CD1-CE1 3.44Å; Y162-Y517 HydrophobicContact CD1-CE1 3.44Å; Y162-Y517 VanDerWaalsContact CD1-CE1 3.44Å; Y162-Y517 AromaticContact CD1-CZ 3.99Å; Y162-Y517 AromaticContact CE1-CD1 3.96Å; Y162-Y517 HydrophobicContact CE1-CD1 3.96Å; Y162-Y517 AromaticContact CE1-CE1 3.68Å; Y162-Y517 HydrophobicContact CE1-CE1 3.68Å; Y162-Y517 HydrophobicContact CE1-CE2 4.35Å; Y162-Y517 HydrophobicContact CE1-CG 4.43Å; Y162-Y517 AromaticContact CE1-CZ 3.89Å
163N86Confident87.7Confident72 Ų7248.7 Ų48.739%0.38526%0.264SS..Hα-helixtrans-95.5-12.4-173.4-74.1-76.9000114.4F159 P160 G165 S176F159-N163 PolarHBondContact O-N 3.1Å; F159-N163 PolarHBondContact O-ND2 3.29Å; P160-N163 CarbonylContact O-C 3.59Å; P160-N163 PolarHBondContact O-N 3.34Å; N163-G165 PolarHBondContact O-N 3.48Å; N163-S176 PolarHBondContact ND2-OG 3.02Å
164F81.2Confident87.6Confident120 Ų12043.8 Ų43.853%0.52624%0.239SC..SBendtrans-55.8129.3173-88.9-70.1000110.6P160 L166 N167 R168P160-F164 HydrophobicContact CB-CD2 4.42Å; P160-F164 HydrophobicContact CB-CE2 3.99Å; P160-F164 WeakPolarHBondContact O-CD2 3.09Å; P160-F164 PolarHBondContact O-N 3.3Å; F164-L166 PolarHBondContact O-N 2.72Å; F164-N167 PolarHBondContact O-N 3.16Å; F164-R168 PolarHBondContact O-N 3.08Å
165G69.6Low87.6Confident65 Ų6543.4 Ų43.467%0.6724%0.236SC*.THydrogen-bonded Turntrans-55.1-31.1-167.600000114.5N163 N167N163-G165 PolarHBondContact O-N 3.48Å; G165-N167 VanDerWaalsContact C-N 3.34Å; G165-N167 PolarHBondContact O-N 3.4Å
166L69.9Low87.6Confident139 Ų13943.7 Ų43.773%0.72824%0.238SC*.THydrogen-bonded Turntrans-69-28.5176.1-67.1176.7000113.4F164 R450F164-L166 PolarHBondContact O-N 2.72Å; L166-R450 PolarHBondContact O-NH1 3.18Å
167N74.3Confident87.7Confident16 Ų1639.3 Ų39.39%0.08622%0.217CC..THydrogen-bonded Turntrans-93-9.6-178.7-74.8-20.3000113.6A161 F164 G165 S169 T172 A520A161-N167 PolarHBondContact O-ND2 3.31Å; F164-N167 PolarHBondContact O-N 3.16Å; G165-N167 VanDerWaalsContact C-N 3.34Å; G165-N167 PolarHBondContact O-N 3.4Å; N167-S169 PolarHBondContact O-N 3.02Å; N167-T172 WeakPolarHBondContact O-CG2 3.3Å; N167-A520 WeakPolarHBondContact ND2-CB 3.33Å
168R80.8Confident87.9Confident126 Ų12636 Ų3648%0.47520%0.197SC..  trans-65.3109.6-170.6-156.1-179.3162.7150.1-1.1110.8F164 Q258F164-R168 PolarHBondContact O-N 3.08Å; R168-Q258 VanDerWaalsContact C-NE2 3.28Å; R168-Q258 VanDerWaalsContact CD-OE1 3.27Å; R168-Q258 VanDerWaalsContact CG-NE2 3.34Å; R168-Q258 PolarHBondContact O-NE2 3Å
169S85.7Confident88.1Confident8 Ų836.1 Ų36.16%0.05620%0.197CC..  trans-132.1165.9172.976.50000110.1N167 A171 T172 V173N167-S169 PolarHBondContact O-N 3.02Å; S169-A171 PolarHBondContact O-N 3.49Å; S169-A171 PolarHBondContact OG-N 3.2Å; S169-T172 PolarHBondContact N-OG1 3.46Å; S169-T172 PolarHBondContact O-N 3.39Å; S169-T172 PolarHBondContact O-OG1 2.81Å; S169-T172 PolarHBondContact OG-N 3.16Å; S169-V173 PolarHBondContact O-N 2.96Å
170G87.1Confident88.4Confident4 Ų436.4 Ų36.44%0.04120%0.202CC..Hα-helixtrans-53.4-36.8173.100000112.3V173 Y174 S261G170-V173 WeakPolarHBondContact O-CB 3.35Å; G170-V173 PolarHBondContact O-N 3.46Å; G170-Y174 WeakPolarHBondContact O-CD2 3.36Å; G170-Y174 WeakPolarHBondContact O-CE2 3.33Å; G170-Y174 PolarHBondContact O-N 2.79Å; G170-S261 VanDerWaalsContact CA-OG 3.25Å; G170-S261 WeakPolarHBondContact CA-OG 3.29Å
171A91.7Very high88.8Confident1 Ų135.2 Ų35.21%0.00819%0.19CC..Hα-helixtrans-62.5-43.8175.600000112.8S169 V173 Y174 L175 L238 N454S169-A171 PolarHBondContact O-N 3.49Å; S169-A171 PolarHBondContact OG-N 3.2Å; A171-V173 PolarHBondContact O-N 2.88Å; A171-Y174 PolarHBondContact O-N 3.37Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.86Å; A171-L238 HydrophobicContact CB-CD1 3.81Å; A171-N454 HydrophobicContact CB-CB 4.33Å
172T92.9Very high89.3Confident2 Ų235.4 Ų35.41%0.01219%0.191CC..Hα-helixtrans-65.6-25178.459.20000113.6N167 S169 L175 S176 Y517N167-T172 WeakPolarHBondContact O-CG2 3.3Å; S169-T172 PolarHBondContact N-OG1 3.46Å; S169-T172 PolarHBondContact O-N 3.39Å; S169-T172 PolarHBondContact O-OG1 2.81Å; S169-T172 PolarHBondContact OG-N 3.16Å; T172-L175 PolarHBondContact O-N 3.42Å; T172-S176 VanDerWaalsContact O-CB 3.29Å; T172-S176 WeakPolarHBondContact O-CB 3.34Å; T172-S176 PolarHBondContact O-N 2.99Å; T172-S176 PolarHBondContact O-OG 2.81Å; T172-Y517 HydrophobicContact CG2-CE1 4.28Å
173V94.9Very high89.8Confident23 Ų2336.6 Ų36.614%0.13920%0.2CC..Hα-helixtrans-66-46.7173.6177.30000110.2S169 G170 A171 S176 A177 Q258 V262 V265S169-V173 PolarHBondContact O-N 2.96Å; G170-V173 WeakPolarHBondContact O-CB 3.35Å; G170-V173 PolarHBondContact O-N 3.46Å; A171-V173 PolarHBondContact O-N 2.88Å; V173-S176 PolarHBondContact O-N 3.48Å; V173-A177 WeakPolarHBondContact O-CB 3.48Å; V173-A177 PolarHBondContact O-N 3.47Å; V173-Q258 HydrophobicContact CG2-CB 4.42Å; V173-V262 HydrophobicContact CG1-CG2 3.75Å; V173-V265 HydrophobicContact CG1-CG2 4.3Å
174Y96.7Very high90.3Very high2 Ų236.1 Ų36.11%0.00820%0.199CC..Hα-helixtrans-62.6-43.1174.6-63.2-76000111.9G170 A171 A177 M178 L234 A237 L238 N241 I264 V265G170-Y174 WeakPolarHBondContact O-CD2 3.36Å; G170-Y174 WeakPolarHBondContact O-CE2 3.33Å; G170-Y174 PolarHBondContact O-N 2.79Å; A171-Y174 PolarHBondContact O-N 3.37Å; Y174-A177 PolarHBondContact O-N 2.94Å; Y174-M178 WeakPolarHBondContact O-CB 3.2Å; Y174-M178 WeakPolarHBondContact O-CE 3.3Å; Y174-M178 WeakPolarHBondContact O-CG 3.39Å; Y174-M178 PolarHBondContact O-N 3.26Å; Y174-L234 HydrophobicContact CD1-CD2 4.22Å; Y174-A237 HydrophobicContact CD1-CB 4.13Å; Y174-A237 HydrophobicContact CE1-CB 3.64Å; Y174-L238 HydrophobicContact CD2-CB 4.5Å; Y174-L238 HydrophobicContact CD2-CD1 4.18Å; Y174-L238 HydrophobicContact CG-CB 4.25Å; Y174-N241 HydrophobicContact CE2-CB 3.96Å; Y174-I264 HydrophobicContact CE1-CB 4.42Å; Y174-I264 HydrophobicContact CE1-CG2 3.99Å; Y174-I264 VanDerWaalsContact OH-CD1 3.3Å; Y174-I264 WeakPolarHBondContact OH-CD1 3.37Å; Y174-V265 HydrophobicContact CD1-CG2 3.66Å; Y174-V265 HydrophobicContact CE1-CG2 3.83Å; Y174-V265 HydrophobicContact CG-CG2 4.48Å
175L95.8Very high91.1Very high8 Ų830.7 Ų30.74%0.04218%0.176CC..Hα-helixtrans-63.7-41.4177.5-67.2169.9000112.4Y162 A171 T172 M178 A179 L238 I461 Y517Y162-L175 HydrophobicContact CD1-CB 4.34Å; Y162-L175 HydrophobicContact CD2-CB 4.35Å; Y162-L175 HydrophobicContact CE1-CB 4.2Å; Y162-L175 HydrophobicContact CE1-CD1 4.23Å; Y162-L175 HydrophobicContact CE2-CB 4.21Å; Y162-L175 HydrophobicContact CG-CB 4.42Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 2.86Å; T172-L175 PolarHBondContact O-N 3.42Å; L175-M178 HydrophobicContact CD2-CE 3.87Å; L175-M178 HydrophobicContact CG-CE 4.49Å; L175-M178 PolarHBondContact O-N 3.41Å; L175-A179 WeakPolarHBondContact O-CB 3.48Å; L175-A179 PolarHBondContact O-N 3.32Å; L175-L238 HydrophobicContact CD2-CD2 4.08Å; L175-L238 HydrophobicContact CG-CD2 4.49Å; L175-I461 HydrophobicContact CD2-CD1 3.52Å; L175-Y517 VanDerWaalsContact CD1-OH 3.3Å; L175-Y517 WeakPolarHBondContact CD1-OH 3.48Å
176S95.8Very high92.5Very high9 Ų927.6 Ų27.66%0.06314%0.144CC..Hα-helixtrans-63.9-43.8176.2-59.90000111.6Y162 N163 T172 V173 A179 I180Y162-S176 WeakPolarHBondContact CB-OG 3.5Å; N163-S176 PolarHBondContact ND2-OG 3.02Å; T172-S176 VanDerWaalsContact O-CB 3.29Å; T172-S176 WeakPolarHBondContact O-CB 3.34Å; T172-S176 PolarHBondContact O-N 2.99Å; T172-S176 PolarHBondContact O-OG 2.81Å; V173-S176 PolarHBondContact O-N 3.48Å; S176-A179 PolarHBondContact O-N 2.9Å; S176-I180 WeakPolarHBondContact O-CG1 3.45Å; S176-I180 PolarHBondContact O-N 3.44Å; S176-I180 VanDerWaalsContact O-N 3.12Å
177A97Very high93.8Very high11 Ų1122.1 Ų22.19%0.09112%0.121CC..Hα-helixtrans-61.8-49.1175.900000110.8V173 Y174 A179 I180 F181 L234 V265V173-A177 WeakPolarHBondContact O-CB 3.48Å; V173-A177 PolarHBondContact O-N 3.47Å; Y174-A177 PolarHBondContact O-N 2.94Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.02Å; A177-I180 PolarHBondContact O-N 2.89Å; A177-F181 WeakPolarHBondContact O-CD2 3.38Å; A177-F181 PolarHBondContact O-N 3.37Å; A177-F181 VanDerWaalsContact O-N 3.08Å; A177-L234 HydrophobicContact CB-CD1 3.73Å; A177-V265 HydrophobicContact CB-CG1 3.74Å; A177-V265 HydrophobicContact CB-CG2 4.35Å
178M97.6Very high94.9Very high3 Ų323 Ų232%0.01513%0.125CC..Hα-helixtrans-56.3-43.7175.8-75.6-173-80.600112.1Y174 L175 I180 F181 D182 L234 L238Y174-M178 WeakPolarHBondContact O-CB 3.2Å; Y174-M178 WeakPolarHBondContact O-CE 3.3Å; Y174-M178 WeakPolarHBondContact O-CG 3.39Å; Y174-M178 PolarHBondContact O-N 3.26Å; L175-M178 HydrophobicContact CD2-CE 3.87Å; L175-M178 HydrophobicContact CG-CE 4.49Å; L175-M178 PolarHBondContact O-N 3.41Å; M178-I180 VanDerWaalsContact C-N 3.35Å; M178-I180 PolarHBondContact O-N 2.91Å; M178-F181 PolarHBondContact O-N 3.07Å; M178-D182 VanDerWaalsContact O-CB 3.29Å; M178-D182 WeakPolarHBondContact O-CB 3.35Å; M178-D182 PolarHBondContact O-N 2.88Å; M178-L234 HydrophobicContact CG-CB 3.75Å; M178-L234 HydrophobicContact CG-CD1 3.75Å; M178-L234 HydrophobicContact CG-CG 4.44Å; M178-L234 HydrophobicContact SD-CB 4.16Å; M178-L238 HydrophobicContact CE-CD2 3.76Å
179A97.1Very high95.6Very high2 Ų217 Ų172%0.01710%0.103CC..Hα-helixtrans-61.8-39.1178.600000113N155 Y162 L175 S176 A177 C183N155-A179 HydrophobicContact CB-CB 4.27Å; N155-A179 WeakPolarHBondContact OD1-CA 3.36Å; N155-A179 WeakPolarHBondContact OD1-CB 3.33Å; Y162-A179 HydrophobicContact CE2-CB 4.09Å; L175-A179 WeakPolarHBondContact O-CB 3.48Å; L175-A179 PolarHBondContact O-N 3.32Å; S176-A179 PolarHBondContact O-N 2.9Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.02Å; A179-C183 WeakPolarHBondContact O-CB 3.27Å; A179-C183 PolarHBondContact O-N 3.42Å; A179-C183 PolarHBondContact O-SG 3.31Å; A179-C183 VanDerWaalsContact O-SG 3.35Å
180I97.4Very high96.1Very high82 Ų8218 Ų1842%0.42111%0.107SC..Hα-helixtrans-63-50.6174.7-66.9166000110.1F159 S176 A177 M178 D182 C183 V184F159-I180 HydrophobicContact CD2-CG1 4.13Å; F159-I180 HydrophobicContact CE2-CD1 3.6Å; F159-I180 HydrophobicContact CE2-CG1 3.56Å; F159-I180 HydrophobicContact CZ-CD1 4.04Å; F159-I180 HydrophobicContact CZ-CG1 4.27Å; S176-I180 WeakPolarHBondContact O-CG1 3.45Å; S176-I180 PolarHBondContact O-N 3.44Å; S176-I180 VanDerWaalsContact O-N 3.12Å; A177-I180 PolarHBondContact O-N 2.89Å; M178-I180 VanDerWaalsContact C-N 3.35Å; M178-I180 PolarHBondContact O-N 2.91Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-D182 PolarHBondContact O-N 3.43Å; I180-C183 WeakPolarHBondContact O-CB 3.35Å; I180-C183 PolarHBondContact O-N 3.31Å; I180-V184 WeakPolarHBondContact O-CG2 3.42Å; I180-V184 PolarHBondContact O-N 2.84Å
181F98Very high96.6Very high39 Ų3920.9 Ų20.917%0.17112%0.121CC..Hα-helixtrans-69.8-31.6-177.5-72-71.9000112.9A177 M178 V184 F185 L230 V231 I269A177-F181 WeakPolarHBondContact O-CD2 3.38Å; A177-F181 PolarHBondContact O-N 3.37Å; A177-F181 VanDerWaalsContact O-N 3.08Å; M178-F181 PolarHBondContact O-N 3.07Å; F181-V184 PolarHBondContact O-N 2.81Å; F181-F185 VanDerWaalsContact O-CB 3.24Å; F181-F185 WeakPolarHBondContact O-CB 3.38Å; F181-F185 PolarHBondContact O-N 2.84Å; F181-L230 HydrophobicContact CB-CD2 4.09Å; F181-L230 HydrophobicContact CD1-CD2 4.13Å; F181-L230 HydrophobicContact CD2-CD1 4.39Å; F181-L230 HydrophobicContact CD2-CD2 3.12Å; F181-L230 HydrophobicContact CD2-CG 4.36Å; F181-L230 HydrophobicContact CE1-CD1 4.14Å; F181-L230 HydrophobicContact CE1-CD2 4.37Å; F181-L230 HydrophobicContact CE2-CD1 3.96Å; F181-L230 HydrophobicContact CE2-CD2 3.44Å; F181-L230 VanDerWaalsContact CE2-CD2 3.44Å; F181-L230 HydrophobicContact CE2-CG 4.36Å; F181-L230 HydrophobicContact CG-CD2 3.52Å; F181-L230 HydrophobicContact CZ-CD1 3.83Å; F181-L230 HydrophobicContact CZ-CD2 4.07Å; F181-V231 HydrophobicContact CB-CG2 4.02Å; F181-I269 HydrophobicContact CE2-CD1 4.02Å; F181-I269 HydrophobicContact CE2-CG1 4.03Å; F181-I269 HydrophobicContact CZ-CD1 3.92Å; F181-I269 HydrophobicContact CZ-CG1 3.82Å
182D97.9Very high96.7Very high6 Ų621 Ų213%0.03212%0.122CC..Hα-helixtrans-64.3-41.9171-74.8-31.1000110.9M178 I180 F185 M186 A503 K506M178-D182 VanDerWaalsContact O-CB 3.29Å; M178-D182 WeakPolarHBondContact O-CB 3.35Å; M178-D182 PolarHBondContact O-N 2.88Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-D182 PolarHBondContact O-N 3.43Å; D182-F185 PolarHBondContact O-N 3.39Å; D182-M186 HydrophobicContact CB-CE 4.14Å; D182-M186 WeakPolarHBondContact O-CB 2.95Å; D182-M186 VanDerWaalsContact O-CE 3.25Å; D182-M186 WeakPolarHBondContact O-CE 3.28Å; D182-M186 WeakPolarHBondContact O-CG 3.28Å; D182-M186 PolarHBondContact O-N 2.8Å; D182-A503 HydrophobicContact CB-CB 4.41Å; D182-K506 IonicContact OD1-NZ 3.34Å; D182-K506 PolarHBondContact OD1-NZ 2.69Å; D182-K506 WeakPolarHBondContact OD2-CE 3.45Å; D182-K506 IonicContact OD2-NZ 2.65Å; D182-K506 PolarHBondContact OD2-NZ 3.42Å
183C98Very high96.7Very high31 Ų3121.5 Ų21.521%0.20912%0.124CC..Hα-helixtrans-62-44.1173.5-77.60000112.2N155 A179 I180 G187N155-C183 WeakPolarHBondContact CB-SG 3.36Å; A179-C183 WeakPolarHBondContact O-CB 3.27Å; A179-C183 PolarHBondContact O-N 3.42Å; A179-C183 PolarHBondContact O-SG 3.31Å; A179-C183 VanDerWaalsContact O-SG 3.35Å; I180-C183 WeakPolarHBondContact O-CB 3.35Å; I180-C183 PolarHBondContact O-N 3.31Å; C183-G187 PolarHBondContact O-N 2.95Å
184V98Very high96.6Very high62 Ų6220.5 Ų20.538%0.37612%0.118SC..Hα-helixtrans-64-46176.9175.20000110.6I180 F181 G187 L188 V223I180-V184 WeakPolarHBondContact O-CG2 3.42Å; I180-V184 PolarHBondContact O-N 2.84Å; F181-V184 PolarHBondContact O-N 2.81Å; V184-G187 PolarHBondContact O-N 3.21Å; V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 WeakPolarHBondContact O-CG 3.43Å; V184-L188 PolarHBondContact O-N 3.41Å; V184-V223 HydrophobicContact CG1-CG1 4.22Å
185F98Very high96.5Very high6 Ų622.4 Ų22.43%0.02613%0.128CC..Hα-helixtrans-57.6-53.7176.3169.5-94.9000111.8F181 D182 G187 L188 S189 I224 C227 E228 D499 A503F181-F185 VanDerWaalsContact O-CB 3.24Å; F181-F185 WeakPolarHBondContact O-CB 3.38Å; F181-F185 PolarHBondContact O-N 2.84Å; D182-F185 PolarHBondContact O-N 3.39Å; F185-G187 VanDerWaalsContact C-N 3.34Å; F185-G187 PolarHBondContact O-N 3Å; F185-L188 PolarHBondContact O-N 2.86Å; F185-S189 WeakPolarHBondContact O-CB 3.5Å; F185-S189 PolarHBondContact O-N 2.91Å; F185-I224 HydrophobicContact CD2-CB 4.5Å; F185-I224 HydrophobicContact CD2-CG2 3.77Å; F185-I224 HydrophobicContact CE2-CG2 3.58Å; F185-C227 HydrophobicContact CB-CB 3.86Å; F185-C227 HydrophobicContact CD2-CB 4.49Å; F185-E228 HydrophobicContact CD2-CG 3.87Å; F185-E228 HydrophobicContact CE2-CG 3.5Å; F185-E228 WeakPolarHBondContact CE2-OE1 3.46Å; F185-E228 HydrophobicContact CZ-CG 4.38Å; F185-D499 HydrophobicContact CZ-CB 3.79Å; F185-A503 HydrophobicContact CD1-CB 3.98Å; F185-A503 HydrophobicContact CE1-CB 4.16Å
186M97.7Very high96.4Very high0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-66.6-36.5-179-72.3-177.5-71.300112C148 I152 N155 D182 L190 A503C148-M186 HydrophobicContact CB-CB 4.33Å; I152-M186 HydrophobicContact CD1-CB 3.97Å; I152-M186 HydrophobicContact CG1-CB 3.69Å; I152-M186 HydrophobicContact CG1-CE 4.07Å; I152-M186 HydrophobicContact CG1-SD 4.42Å; N155-M186 WeakPolarHBondContact ND2-CE 3.38Å; D182-M186 HydrophobicContact CB-CE 4.14Å; D182-M186 WeakPolarHBondContact O-CB 2.95Å; D182-M186 VanDerWaalsContact O-CE 3.25Å; D182-M186 WeakPolarHBondContact O-CE 3.28Å; D182-M186 WeakPolarHBondContact O-CG 3.28Å; D182-M186 PolarHBondContact O-N 2.8Å; M186-L190 WeakPolarHBondContact O-CB 3.3Å; M186-L190 PolarHBondContact O-N 2.57Å; M186-A503 HydrophobicContact CE-CB 4.48Å; M186-A503 HydrophobicContact CG-CB 4.03Å; M186-A503 HydrophobicContact SD-CB 4.07Å
187G97.8Very high96.3Very high24 Ų2421.8 Ų21.825%0.24712%0.124CC..Hα-helixtrans-61.8-49.1174.800000112C183 V184 F185 L190 L191C183-G187 PolarHBondContact O-N 2.95Å; V184-G187 PolarHBondContact O-N 3.21Å; F185-G187 VanDerWaalsContact C-N 3.34Å; F185-G187 PolarHBondContact O-N 3Å; G187-L190 PolarHBondContact O-N 3.07Å; G187-L191 WeakPolarHBondContact O-CG 3.32Å; G187-L191 PolarHBondContact O-N 3.48Å; G187-L191 VanDerWaalsContact O-N 3.09Å
188L97.2Very high96.2Very high35 Ų3525 Ų2518%0.18314%0.139CC..Hα-helixtrans-67.9-41.2177.1-71.6173.3000112.4V184 F185 L190 L191 I192 V223 I224V184-L188 HydrophobicContact CG1-CD1 3.97Å; V184-L188 WeakPolarHBondContact O-CB 3.43Å; V184-L188 WeakPolarHBondContact O-CG 3.43Å; V184-L188 PolarHBondContact O-N 3.41Å; F185-L188 PolarHBondContact O-N 2.86Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.86Å; L188-L191 PolarHBondContact O-N 2.78Å; L188-I192 VanDerWaalsContact O-CB 3.31Å; L188-I192 WeakPolarHBondContact O-CB 3.07Å; L188-I192 WeakPolarHBondContact O-CG1 3.2Å; L188-I192 PolarHBondContact O-N 3.17Å; L188-V223 HydrophobicContact CD1-CB 3.78Å; L188-V223 HydrophobicContact CD1-CG1 3.36Å; L188-I224 HydrophobicContact CB-CD1 3.92Å; L188-I224 HydrophobicContact CB-CG1 3.67Å; L188-I224 HydrophobicContact CD1-CG1 4.24Å
189S96.2Very high96.1Very high0 Ų025.8 Ų25.80%015%0.145CC..Hα-helixtrans-59.3-40.7174.5176.90000111.4F185 N193 V194 Q496F185-S189 WeakPolarHBondContact O-CB 3.5Å; F185-S189 PolarHBondContact O-N 2.91Å; S189-N193 WeakPolarHBondContact O-CA 3.35Å; S189-N193 WeakPolarHBondContact O-CB 3.21Å; S189-N193 PolarHBondContact O-N 3.12Å; S189-V194 PolarHBondContact O-N 3.38Å; S189-Q496 PolarHBondContact OG-NE2 3.17Å
190L96.7Very high95.9Very high29 Ų2929.4 Ų29.415%0.15217%0.168CC..Iπ-helixtrans-61.8-47.7175.7-175.2153.8000110.8L145 C148 L149 M186 G187 L188 V194 I195L145-L190 HydrophobicContact CD1-CD1 3.94Å; L145-L190 HydrophobicContact CD1-CG 4.3Å; C148-L190 HydrophobicContact CB-CB 4.44Å; C148-L190 HydrophobicContact CB-CD1 4.22Å; L149-L190 HydrophobicContact CD2-CD1 3.95Å; L149-L190 HydrophobicContact CG-CD1 4.39Å; M186-L190 WeakPolarHBondContact O-CB 3.3Å; M186-L190 PolarHBondContact O-N 2.57Å; G187-L190 PolarHBondContact O-N 3.07Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 PolarHBondContact O-N 2.86Å; L190-V194 PolarHBondContact O-N 2.86Å; L190-I195 HydrophobicContact CD2-CD1 3.94Å; L190-I195 HydrophobicContact CD2-CG1 4.14Å; L190-I195 WeakPolarHBondContact O-CG1 3.2Å; L190-I195 PolarHBondContact O-N 3.46Å
191L96Very high95.7Very high64 Ų6427.5 Ų27.534%0.33516%0.162SC..Iπ-helixtrans-67.4-40.1-178.9-67.2176.4000113.3G187 L188 I195 F212 S213 L216G187-L191 WeakPolarHBondContact O-CG 3.32Å; G187-L191 PolarHBondContact O-N 3.48Å; G187-L191 VanDerWaalsContact O-N 3.09Å; L188-L191 PolarHBondContact O-N 2.78Å; L191-I195 HydrophobicContact CD2-CD1 3.97Å; L191-F212 HydrophobicContact CB-CE1 4.3Å; L191-F212 HydrophobicContact CD2-CE1 4.16Å; L191-F212 HydrophobicContact CD2-CZ 4.09Å; L191-F212 WeakPolarHBondContact O-CE1 3.29Å; L191-S213 PolarHBondContact O-OG 3.33Å; L191-L216 HydrophobicContact CB-CD1 3.96Å; L191-L216 HydrophobicContact CD1-CD1 4.5Å
192I94.8Very high95.5Very high3 Ų326.7 Ų26.72%0.01516%0.158CC..Iπ-helixtrans-89.6-55.4-171.8-68.6171.6000111.2L188 S213 L216 I217 I224L188-I192 VanDerWaalsContact O-CB 3.31Å; L188-I192 WeakPolarHBondContact O-CB 3.07Å; L188-I192 WeakPolarHBondContact O-CG1 3.2Å; L188-I192 PolarHBondContact O-N 3.17Å; I192-S213 WeakPolarHBondContact O-CB 3.06Å; I192-S213 PolarHBondContact O-OG 2.92Å; I192-L216 HydrophobicContact CD1-CB 3.98Å; I192-L216 HydrophobicContact CG1-CB 3.72Å; I192-L216 HydrophobicContact CG1-CD1 4.22Å; I192-I217 HydrophobicContact CG2-CD1 3.29Å; I192-I224 HydrophobicContact CD1-CD1 3.97Å
193N92.2Very high95.2Very high13 Ų1330.1 Ų30.17%0.0718%0.176CC..Iπ-helixtrans-92.1-49.3-170.6-63-40.3000111.5S189 Y197 Q496S189-N193 WeakPolarHBondContact O-CA 3.35Å; S189-N193 WeakPolarHBondContact O-CB 3.21Å; S189-N193 PolarHBondContact O-N 3.12Å; N193-Y197 WeakPolarHBondContact O-CD2 3.32Å; N193-Q496 PolarHBondContact ND2-OE1 3.09Å
194V94Very high94.9Very high2 Ų233.1 Ų33.11%0.01219%0.187CC..Iπ-helixtrans-72.6-47.7-169.7179.30000112.5G141 C144 L145 S189 L190 H196 Y197 L198G141-V194 WeakPolarHBondContact O-CG1 3.26Å; C144-V194 HydrophobicContact CB-CG2 3.88Å; L145-V194 HydrophobicContact CB-CG1 3.54Å; L145-V194 HydrophobicContact CD1-CG1 3.92Å; L145-V194 HydrophobicContact CG-CG1 4.3Å; S189-V194 PolarHBondContact O-N 3.38Å; L190-V194 PolarHBondContact O-N 2.86Å; V194-H196 PolarHBondContact O-N 3.12Å; V194-Y197 PolarHBondContact O-N 3.38Å; V194-Y197 VanDerWaalsContact O-N 3.12Å; V194-L198 PolarHBondContact O-N 3Å
195I94.5Very high94.7Very high41 Ų4130.2 Ų30.221%0.2117%0.169CC..Hα-helixtrans-60-38-178.6-74176.2000111.3L190 L191 Y197 L198 M208 F212L190-I195 HydrophobicContact CD2-CD1 3.94Å; L190-I195 HydrophobicContact CD2-CG1 4.14Å; L190-I195 WeakPolarHBondContact O-CG1 3.2Å; L190-I195 PolarHBondContact O-N 3.46Å; L191-I195 HydrophobicContact CD2-CD1 3.97Å; I195-Y197 VanDerWaalsContact C-N 3.31Å; I195-Y197 PolarHBondContact O-N 3.21Å; I195-L198 WeakPolarHBondContact O-CB 3.43Å; I195-L198 PolarHBondContact O-N 3.01Å; I195-M208 HydrophobicContact CG2-CE 3.7Å; I195-F212 HydrophobicContact CD1-CE1 4.31Å; I195-F212 HydrophobicContact CG2-CD1 4.42Å
196H92.7Very high94.3Very high3 Ų330 Ų301%0.01417%0.168CC..Hα-helixtrans-53.2-47.6174.9172.3132.3000111.4I126 V194 P199 M206 Y209I126-H196 WeakPolarHBondContact CD1-CE1 3.46Å; V194-H196 PolarHBondContact O-N 3.12Å; H196-P199 WeakPolarHBondContact O-CD 3.3Å; H196-M206 VanDerWaalsContact NE2-CE 3.3Å; H196-M206 WeakPolarHBondContact NE2-CE 3.29Å; H196-Y209 WeakPolarHBondContact CE1-CB 3.37Å; H196-Y209 AromaticContact CE1-CD2 3.84Å; H196-Y209 AromaticContact CE1-CG 3.63Å; H196-Y209 WeakPolarHBondContact ND1-CB 3.19Å; H196-Y209 AromaticContact ND1-CD2 3.34Å; H196-Y209 VanDerWaalsContact ND1-CD2 3.34Å; H196-Y209 WeakPolarHBondContact ND1-CD2 3.25Å; H196-Y209 AromaticContact ND1-CG 3.49Å
197Y94.7Very high94Very high1 Ų133.2 Ų33.20%0.00418%0.183CC..Hα-helixtrans-90.64.1-173.8-63.6-64.1000113.7D128 N136 H137 L140 N193 V194 I195 R492D128-Y197 VanDerWaalsContact OD2-CE1 3.3Å; D128-Y197 WeakPolarHBondContact OD2-CE1 3.46Å; D128-Y197 PolarHBondContact OD2-OH 3.26Å; N136-Y197 HydrophobicContact CB-CD1 3.52Å; N136-Y197 HydrophobicContact CB-CE1 3.92Å; N136-Y197 HydrophobicContact CB-CG 4.13Å; N136-Y197 WeakPolarHBondContact ND2-CE1 3.47Å; H137-Y197 VanDerWaalsContact CA-O 3.3Å; H137-Y197 WeakPolarHBondContact CA-O 3.45Å; H137-Y197 PolarHBondContact ND1-O 2.69Å; H137-Y197 VanDerWaalsContact ND1-O 3.14Å; L140-Y197 HydrophobicContact CB-CD2 3.55Å; L140-Y197 HydrophobicContact CB-CE2 4.36Å; L140-Y197 HydrophobicContact CB-CG 3.94Å; L140-Y197 HydrophobicContact CD1-CD2 3.73Å; L140-Y197 HydrophobicContact CD1-CE2 3.69Å; L140-Y197 HydrophobicContact CD1-CG 4.39Å; L140-Y197 HydrophobicContact CG-CD2 4.29Å; N193-Y197 WeakPolarHBondContact O-CD2 3.32Å; V194-Y197 PolarHBondContact O-N 3.38Å; V194-Y197 VanDerWaalsContact O-N 3.12Å; I195-Y197 VanDerWaalsContact C-N 3.31Å; I195-Y197 PolarHBondContact O-N 3.21Å; Y197-R492 VanDerWaalsContact OH-CZ 3.25Å; Y197-R492 PolarHBondContact OH-NH1 2.91Å; Y197-R492 PolarHBondContact OH-NH2 3.18Å
198L94.8Very high93.7Very high80 Ų8035.3 Ų35.342%0.41919%0.187SC..  trans-66.3-35.5179.8-165.965.9000113.7H137 L145 V194 I195H137-L198 PolarHBondContact CE1-O 2.93Å; H137-L198 PolarHBondContact ND1-O 3.38Å; L145-L198 HydrophobicContact CD2-CD1 4.03Å; V194-L198 PolarHBondContact O-N 3Å; I195-L198 WeakPolarHBondContact O-CB 3.43Å; I195-L198 PolarHBondContact O-N 3.01Å
199P94.9Very high93.6Very high19 Ų1933.7 Ų33.712%0.12318%0.179CC..SBendtrans-70.2143.3172-18.432.5000112H137 H196 E204 Q205 M208H137-P199 PolarHBondContact ND1-O 3.36Å; H196-P199 WeakPolarHBondContact O-CD 3.3Å; P199-E204 HydrophobicContact CB-CB 3.51Å; P199-E204 HydrophobicContact CG-CB 4.04Å; P199-Q205 HydrophobicContact CB-CG 4.37Å; P199-Q205 WeakPolarHBondContact O-CG 3.4Å; P199-Q205 PolarHBondContact O-NE2 3.05Å; P199-M208 HydrophobicContact CG-CG 3.8Å
200P92.9Very high93.3Very high77 Ų7733.7 Ų33.750%0.518%0.179SC..SBendtrans-78.2-21.8178.731-34.7000113.1
201S93.8Very high93.1Very high42 Ų4236.2 Ų36.229%0.29419%0.19SC..SBendtrans-92.5137.9-177.280.20000111.6I203 E204 Q205S201-I203 VanDerWaalsContact C-N 3.27Å; S201-I203 PolarHBondContact O-N 2.89Å; S201-E204 PolarHBondContact O-N 3.01Å; S201-E204 VanDerWaalsContact OG-CB 3.23Å; S201-E204 WeakPolarHBondContact OG-CB 3.26Å; S201-E204 WeakPolarHBondContact OG-CG 3.36Å; S201-E204 PolarHBondContact OG-N 3.49Å; S201-E204 PolarHBondContact OG-OE2 2.87Å; S201-Q205 WeakPolarHBondContact O-CG 3.32Å; S201-Q205 PolarHBondContact O-N 3.14Å
202F92.2Very high92.9Very high22 Ų2237.4 Ų37.410%0.09619%0.192CC..Hα-helixtrans-57.8-39.3179.5-177-114.1000113F108 D128 Q130 Q205 M206F108-F202 HydrophobicContact CD2-CE1 4.46Å; F108-F202 AromaticContact CE2-CD1 3.92Å; F108-F202 HydrophobicContact CE2-CD1 3.92Å; F108-F202 AromaticContact CE2-CE1 3.38Å; F108-F202 HydrophobicContact CE2-CE1 3.38Å; F108-F202 HydrophobicContact CE2-CZ 4.22Å; F108-F202 HydrophobicContact CZ-CD1 4Å; F108-F202 AromaticContact CZ-CE1 3.5Å; F108-F202 HydrophobicContact CZ-CE1 3.5Å; D128-F202 HydrophobicContact CB-CE2 3.98Å; D128-F202 WeakPolarHBondContact O-CZ 3.32Å; Q130-F202 HydrophobicContact CB-CD1 4.07Å; Q130-F202 HydrophobicContact CB-CE1 4.4Å; Q130-F202 HydrophobicContact CB-CG 4.21Å; Q130-F202 HydrophobicContact CG-CB 4.04Å; Q130-F202 HydrophobicContact CG-CD1 4.12Å; Q130-F202 HydrophobicContact CG-CG 4.14Å; F202-Q205 PolarHBondContact O-N 2.82Å; F202-M206 HydrophobicContact CD2-CE 4.48Å; F202-M206 HydrophobicContact CD2-CG 4.48Å; F202-M206 HydrophobicContact CE1-CG 4.18Å; F202-M206 HydrophobicContact CE2-CE 3.96Å; F202-M206 HydrophobicContact CE2-CG 4.1Å; F202-M206 HydrophobicContact CE2-SD 4.25Å; F202-M206 HydrophobicContact CZ-CG 3.94Å; F202-M206 HydrophobicContact CZ-SD 4.22Å; F202-M206 WeakPolarHBondContact O-CG 3.13Å; F202-M206 PolarHBondContact O-N 2.81Å; F202-M206 VanDerWaalsContact O-N 3.09Å
203I91.3Very high92.9Very high79 Ų7937.2 Ų37.241%0.40519%0.192SC..Hα-helixtrans-63.4-45.9-179.5-64.3174.5000110.4F108 S201 M206 E207F108-I203 HydrophobicContact CB-CG2 3.89Å; F108-I203 HydrophobicContact CD1-CG1 4.21Å; F108-I203 HydrophobicContact CG-CG1 4.25Å; F108-I203 HydrophobicContact CG-CG2 4.44Å; S201-I203 VanDerWaalsContact C-N 3.27Å; S201-I203 PolarHBondContact O-N 2.89Å; I203-M206 PolarHBondContact O-N 3.4Å; I203-E207 WeakPolarHBondContact O-CB 3.48Å; I203-E207 PolarHBondContact O-N 3.13Å
204E92.3Very high92.9Very high94 Ų9436.6 Ų36.644%0.43919%0.188SC..Hα-helixtrans-68.2-35.6178-68.9164.6166.700111.9P199 S201 E207 M208P199-E204 HydrophobicContact CB-CB 3.51Å; P199-E204 HydrophobicContact CG-CB 4.04Å; S201-E204 PolarHBondContact O-N 3.01Å; S201-E204 VanDerWaalsContact OG-CB 3.23Å; S201-E204 WeakPolarHBondContact OG-CB 3.26Å; S201-E204 WeakPolarHBondContact OG-CG 3.36Å; S201-E204 PolarHBondContact OG-N 3.49Å; S201-E204 PolarHBondContact OG-OE2 2.87Å; E204-E207 PolarHBondContact O-N 2.88Å; E204-M208 WeakPolarHBondContact O-CB 3.46Å; E204-M208 VanDerWaalsContact O-CG 3.23Å; E204-M208 WeakPolarHBondContact O-CG 3.47Å; E204-M208 PolarHBondContact O-N 3.5Å
205Q93.3Very high93Very high0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-58.7-48174.3-70.8173.52.400111.2S133 P199 S201 F202 M208 Y209S133-Q205 PolarHBondContact O-NE2 2.92Å; P199-Q205 HydrophobicContact CB-CG 4.37Å; P199-Q205 WeakPolarHBondContact O-CG 3.4Å; P199-Q205 PolarHBondContact O-NE2 3.05Å; S201-Q205 WeakPolarHBondContact O-CG 3.32Å; S201-Q205 PolarHBondContact O-N 3.14Å; F202-Q205 PolarHBondContact O-N 2.82Å; Q205-M208 PolarHBondContact O-N 3.35Å; Q205-Y209 WeakPolarHBondContact O-CB 3.46Å; Q205-Y209 PolarHBondContact O-N 2.98Å
206M90.8Very high93Very high2 Ų240.2 Ų40.21%0.0120%0.203CC..Hα-helixtrans-69-33178.8-65.5-60.4105.500113F108 Y122 I126 D128 H196 F202 I203 Y209 G210F108-M206 HydrophobicContact CD2-CB 3.86Å; F108-M206 HydrophobicContact CD2-CG 3.96Å; F108-M206 HydrophobicContact CE2-CB 4.35Å; F108-M206 HydrophobicContact CE2-CG 3.94Å; Y122-M206 HydrophobicContact CD2-CB 4.23Å; Y122-M206 HydrophobicContact CD2-CG 4.29Å; Y122-M206 HydrophobicContact CD2-SD 3.94Å; Y122-M206 HydrophobicContact CE2-CB 4.01Å; Y122-M206 HydrophobicContact CG-SD 4.11Å; I126-M206 HydrophobicContact CG2-CE 4.06Å; I126-M206 HydrophobicContact CG2-SD 4.13Å; D128-M206 HydrophobicContact CB-CE 4.14Å; H196-M206 VanDerWaalsContact NE2-CE 3.3Å; H196-M206 WeakPolarHBondContact NE2-CE 3.29Å; F202-M206 HydrophobicContact CD2-CE 4.48Å; F202-M206 HydrophobicContact CD2-CG 4.48Å; F202-M206 HydrophobicContact CE1-CG 4.18Å; F202-M206 HydrophobicContact CE2-CE 3.96Å; F202-M206 HydrophobicContact CE2-CG 4.1Å; F202-M206 HydrophobicContact CE2-SD 4.25Å; F202-M206 HydrophobicContact CZ-CG 3.94Å; F202-M206 HydrophobicContact CZ-SD 4.22Å; F202-M206 WeakPolarHBondContact O-CG 3.13Å; F202-M206 PolarHBondContact O-N 2.81Å; F202-M206 VanDerWaalsContact O-N 3.09Å; I203-M206 PolarHBondContact O-N 3.4Å; M206-Y209 WeakPolarHBondContact O-CB 3.39Å; M206-G210 PolarHBondContact O-N 2.96Å
207E90.9Very high93.1Very high67 Ų6740.1 Ų40.131%0.31320%0.203SC..Hα-helixtrans-69-46.7174.5-175.6169.8-177.100111.3V107 I203 E204 Y209 G210 Q211V107-E207 HydrophobicContact CB-CG 4.46Å; V107-E207 HydrophobicContact CG1-CG 4.39Å; I203-E207 WeakPolarHBondContact O-CB 3.48Å; I203-E207 PolarHBondContact O-N 3.13Å; E204-E207 PolarHBondContact O-N 2.88Å; E207-Y209 VanDerWaalsContact C-N 3.28Å; E207-Y209 PolarHBondContact O-N 3.09Å; E207-G210 PolarHBondContact O-N 3.43Å; E207-Q211 HydrophobicContact CG-CG 4.31Å; E207-Q211 VanDerWaalsContact CG-NE2 3.31Å; E207-Q211 WeakPolarHBondContact O-CB 3.37Å; E207-Q211 VanDerWaalsContact O-CG 3.29Å; E207-Q211 WeakPolarHBondContact O-CG 3.31Å; E207-Q211 PolarHBondContact O-N 3.42Å; E207-Q211 PolarHBondContact OE1-NE2 2.96Å
208M92.2Very high93.2Very high68 Ų6840.3 Ų40.334%0.33520%0.204SC..Hα-helixtrans-59.7-40175.4-75.1-65.3-70.900111.9I195 P199 E204 Q205 F212I195-M208 HydrophobicContact CG2-CE 3.7Å; P199-M208 HydrophobicContact CG-CG 3.8Å; E204-M208 WeakPolarHBondContact O-CB 3.46Å; E204-M208 VanDerWaalsContact O-CG 3.23Å; E204-M208 WeakPolarHBondContact O-CG 3.47Å; E204-M208 PolarHBondContact O-N 3.5Å; Q205-M208 PolarHBondContact O-N 3.35Å; M208-F212 PolarHBondContact O-N 3.44Å
209Y93.7Very high93.2Very high1 Ų143 Ų430%0.00421%0.209CC..Iπ-helixtrans-57.7-57.2172.1178.1-118.2000112.3Y122 D123 Y125 I126 H196 Q205 M206 E207 Q211 F212 S213 G214 I217 V296Y122-Y209 AromaticContact CD1-CD1 3.89Å; Y122-Y209 HydrophobicContact CD1-CD1 3.89Å; Y122-Y209 AromaticContact CD1-CE1 3.71Å; Y122-Y209 HydrophobicContact CD1-CE1 3.71Å; Y122-Y209 AromaticContact CE1-CD1 3.57Å; Y122-Y209 HydrophobicContact CE1-CD1 3.57Å; Y122-Y209 AromaticContact CE1-CE1 3.61Å; Y122-Y209 HydrophobicContact CE1-CE1 3.61Å; D123-Y209 WeakPolarHBondContact OD2-CE1 3.18Å; D123-Y209 PolarHBondContact OD2-OH 3.29Å; Y125-Y209 HydrophobicContact CD1-CE2 4.31Å; I126-Y209 HydrophobicContact CB-CE1 4.34Å; I126-Y209 HydrophobicContact CD1-CD1 3.82Å; I126-Y209 HydrophobicContact CD1-CD2 3.3Å; I126-Y209 HydrophobicContact CD1-CE1 3.7Å; I126-Y209 HydrophobicContact CD1-CE2 3.18Å; I126-Y209 HydrophobicContact CD1-CG 3.63Å; I126-Y209 HydrophobicContact CG1-CD2 4.42Å; I126-Y209 HydrophobicContact CG1-CE1 3.97Å; I126-Y209 HydrophobicContact CG1-CE2 3.89Å; H196-Y209 WeakPolarHBondContact CE1-CB 3.37Å; H196-Y209 AromaticContact CE1-CD2 3.84Å; H196-Y209 AromaticContact CE1-CG 3.63Å; H196-Y209 WeakPolarHBondContact ND1-CB 3.19Å; H196-Y209 AromaticContact ND1-CD2 3.34Å; H196-Y209 VanDerWaalsContact ND1-CD2 3.34Å; H196-Y209 WeakPolarHBondContact ND1-CD2 3.25Å; H196-Y209 AromaticContact ND1-CG 3.49Å; Q205-Y209 WeakPolarHBondContact O-CB 3.46Å; Q205-Y209 PolarHBondContact O-N 2.98Å; M206-Y209 WeakPolarHBondContact O-CB 3.39Å; E207-Y209 VanDerWaalsContact C-N 3.28Å; E207-Y209 PolarHBondContact O-N 3.09Å; Y209-Q211 VanDerWaalsContact C-N 3.25Å; Y209-Q211 PolarHBondContact O-N 3.5Å; Y209-F212 PolarHBondContact O-N 3.09Å; Y209-S213 PolarHBondContact O-N 3.31Å; Y209-G214 PolarHBondContact O-N 3Å; Y209-I217 HydrophobicContact CE2-CD1 4.44Å; Y209-I217 HydrophobicContact CE2-CG1 4.05Å; Y209-V296 WeakPolarHBondContact OH-CG2 3.47Å
210G91Very high93.3Very high0 Ų042.3 Ų42.30%021%0.206CC..Iπ-helixtrans-65.1-29.2-175.900000112.6M206 E207 V293 V294M206-G210 PolarHBondContact O-N 2.96Å; E207-G210 PolarHBondContact O-N 3.43Å; G210-V293 CarbonylContact O-C 3.47Å; G210-V293 VanDerWaalsContact O-CA 3.27Å; G210-V293 WeakPolarHBondContact O-CA 3.42Å; G210-V294 VanDerWaalsContact O-CG2 3.24Å; G210-V294 WeakPolarHBondContact O-CG2 3.28Å; G210-V294 PolarHBondContact O-N 2.89Å
211Q91.6Very high93.4Very high83 Ų8339.7 Ų39.739%0.38819%0.188SC..Iπ-helixtrans-83.7-29.2179.9-72177.4-2.100113.6E207 Y209 Y215 V293E207-Q211 HydrophobicContact CG-CG 4.31Å; E207-Q211 VanDerWaalsContact CG-NE2 3.31Å; E207-Q211 WeakPolarHBondContact O-CB 3.37Å; E207-Q211 VanDerWaalsContact O-CG 3.29Å; E207-Q211 WeakPolarHBondContact O-CG 3.31Å; E207-Q211 PolarHBondContact O-N 3.42Å; E207-Q211 PolarHBondContact OE1-NE2 2.96Å; Y209-Q211 VanDerWaalsContact C-N 3.25Å; Y209-Q211 PolarHBondContact O-N 3.5Å; Q211-Y215 WeakPolarHBondContact O-CE2 3.37Å; Q211-V293 HydrophobicContact CG-CG1 3.84Å
212F92.8Very high93.5Very high88 Ų8837.8 Ų37.839%0.38617%0.174SC..Iπ-helixtrans-133.2-67.8-170.6-175.8-105.4000113.3L191 I195 M208 Y209 G214 Y215 L216L191-F212 HydrophobicContact CB-CE1 4.3Å; L191-F212 HydrophobicContact CD2-CE1 4.16Å; L191-F212 HydrophobicContact CD2-CZ 4.09Å; L191-F212 WeakPolarHBondContact O-CE1 3.29Å; I195-F212 HydrophobicContact CD1-CE1 4.31Å; I195-F212 HydrophobicContact CG2-CD1 4.42Å; M208-F212 PolarHBondContact O-N 3.44Å; Y209-F212 PolarHBondContact O-N 3.09Å; F212-G214 VanDerWaalsContact C-N 3.27Å; F212-G214 PolarHBondContact O-N 3.48Å; F212-Y215 PolarHBondContact O-N 3.19Å; F212-L216 HydrophobicContact CE1-CD1 4.1Å; F212-L216 HydrophobicContact CZ-CD1 4.07Å
213S94Very high93.7Very high0 Ų038.8 Ų38.80%018%0.182CC..Iπ-helixtrans-61.1-35.1-170.1-61.70000113L191 I192 Y209 Y215 L216 I217L191-S213 PolarHBondContact O-OG 3.33Å; I192-S213 WeakPolarHBondContact O-CB 3.06Å; I192-S213 PolarHBondContact O-OG 2.92Å; Y209-S213 PolarHBondContact O-N 3.31Å; S213-Y215 VanDerWaalsContact C-N 3.26Å; S213-Y215 PolarHBondContact O-N 2.66Å; S213-L216 PolarHBondContact O-N 2.73Å; S213-I217 WeakPolarHBondContact O-CG1 3.13Å; S213-I217 PolarHBondContact O-N 2.87Å
214G93.5Very high94Very high0 Ų035.2 Ų35.20%016%0.164CC..Hα-helixtrans-58.6-33.4-179.900000113.8Y209 F212 L216 I217 V296Y209-G214 PolarHBondContact O-N 3Å; F212-G214 VanDerWaalsContact C-N 3.27Å; F212-G214 PolarHBondContact O-N 3.48Å; G214-L216 VanDerWaalsContact C-N 3.26Å; G214-L216 PolarHBondContact O-N 2.97Å; G214-I217 PolarHBondContact O-N 3.14Å; G214-V296 WeakPolarHBondContact O-CG2 3.37Å
215Y94.6Very high94.2Very high66 Ų6632.4 Ų32.426%0.25915%0.151SC..Hα-helixtrans-66.5-31176.6-72.7-83000112.3Q211 F212 S213 Y285 V294Q211-Y215 WeakPolarHBondContact O-CE2 3.37Å; F212-Y215 PolarHBondContact O-N 3.19Å; S213-Y215 VanDerWaalsContact C-N 3.26Å; S213-Y215 PolarHBondContact O-N 2.66Å; Y215-Y285 HydrophobicContact CD1-CD2 4.29Å; Y215-Y285 HydrophobicContact CD1-CE2 4.1Å; Y215-Y285 HydrophobicContact CE1-CD2 4.45Å; Y215-Y285 HydrophobicContact CE1-CE2 4.21Å; Y215-V294 HydrophobicContact CD1-CG1 3.79Å; Y215-V294 HydrophobicContact CD2-CG1 4.16Å; Y215-V294 HydrophobicContact CD2-CG2 3.81Å; Y215-V294 HydrophobicContact CE1-CG1 3.28Å; Y215-V294 HydrophobicContact CE2-CB 4.43Å; Y215-V294 HydrophobicContact CE2-CG1 3.69Å; Y215-V294 HydrophobicContact CE2-CG2 3.9Å; Y215-V294 HydrophobicContact CG-CG1 4.2Å; Y215-V294 HydrophobicContact CG-CG2 4.14Å
216L95.5Very high94.3Very high53 Ų5333.1 Ų33.128%0.27715%0.154SC..Hα-helixtrans-86.8-16.5-177-66.6176.3000112.6L191 I192 F212 S213 G214 Y219 G220L191-L216 HydrophobicContact CB-CD1 3.96Å; L191-L216 HydrophobicContact CD1-CD1 4.5Å; I192-L216 HydrophobicContact CD1-CB 3.98Å; I192-L216 HydrophobicContact CG1-CB 3.72Å; I192-L216 HydrophobicContact CG1-CD1 4.22Å; F212-L216 HydrophobicContact CE1-CD1 4.1Å; F212-L216 HydrophobicContact CZ-CD1 4.07Å; S213-L216 PolarHBondContact O-N 2.73Å; G214-L216 VanDerWaalsContact C-N 3.26Å; G214-L216 PolarHBondContact O-N 2.97Å; L216-Y219 PolarHBondContact O-N 3.4Å; L216-G220 WeakPolarHBondContact O-CA 3.39Å; L216-G220 PolarHBondContact O-N 3.5Å
217I95.3Very high94.7Very high1 Ų133.1 Ų33.11%0.00516%0.155CC..Hα-helixtrans-56.8-52.3-175.1-61.2-57.9000113.1Y125 I192 Y209 S213 G214 Y219 L221 V296Y125-I217 HydrophobicContact CD1-CD1 3.93Å; Y125-I217 HydrophobicContact CD1-CG1 3.99Å; Y125-I217 HydrophobicContact CD1-CG2 4.06Å; Y125-I217 HydrophobicContact CD2-CG2 4.21Å; Y125-I217 HydrophobicContact CE1-CD1 3.39Å; Y125-I217 HydrophobicContact CE1-CG1 3.98Å; Y125-I217 HydrophobicContact CE1-CG2 4.27Å; Y125-I217 HydrophobicContact CE2-CG2 4.38Å; Y125-I217 HydrophobicContact CG-CG2 4.07Å; I192-I217 HydrophobicContact CG2-CD1 3.29Å; Y209-I217 HydrophobicContact CE2-CD1 4.44Å; Y209-I217 HydrophobicContact CE2-CG1 4.05Å; S213-I217 WeakPolarHBondContact O-CG1 3.13Å; S213-I217 PolarHBondContact O-N 2.87Å; G214-I217 PolarHBondContact O-N 3.14Å; I217-Y219 PolarHBondContact O-N 3.48Å; I217-Y219 VanDerWaalsContact O-N 3.1Å; I217-L221 HydrophobicContact CG2-CB 4.41Å; I217-L221 HydrophobicContact CG2-CD2 4.44Å; I217-L221 VanDerWaalsContact O-CB 3.23Å; I217-L221 WeakPolarHBondContact O-CB 3.47Å; I217-L221 PolarHBondContact O-N 3.26Å; I217-V296 HydrophobicContact CB-CG1 4.29Å; I217-V296 HydrophobicContact CB-CG2 3.91Å; I217-V296 HydrophobicContact CG1-CG2 4.02Å; I217-V296 HydrophobicContact CG2-CG1 3.88Å; I217-V296 HydrophobicContact CG2-CG2 4.33Å
218P95.2Very high94.9Very high5 Ų531.5 Ų31.53%0.03215%0.147CC..Hα-helixtrans-61.3-27.1-173.8-28.740.7000114.6P222 Y285P218-P222 WeakPolarHBondContact O-CD 3.42Å; P218-P222 WeakPolarHBondContact O-CG 3.41Å; P218-Y285 HydrophobicContact CG-CD1 4.13Å
219Y95.8Very high95.1Very high135 Ų13528.7 Ų28.753%0.52913%0.134SC..Hα-helixtrans-102.2-43.7-178.2-53.8-69.6000112.4L216 I217 V223 F280 Y285L216-Y219 PolarHBondContact O-N 3.4Å; I217-Y219 PolarHBondContact O-N 3.48Å; I217-Y219 VanDerWaalsContact O-N 3.1Å; Y219-V223 VanDerWaalsContact O-CG2 3.22Å; Y219-V223 WeakPolarHBondContact O-CG2 3.5Å; Y219-V223 PolarHBondContact O-N 2.94Å; Y219-F280 HydrophobicContact CD1-CD1 4.48Å; Y219-F280 WeakPolarHBondContact O-CE1 3.49Å; Y219-Y285 HydrophobicContact CE2-CE1 4.3Å
220G96.2Very high95.3Very high5 Ų528.7 Ų28.75%0.05213%0.133CC..Hα-helixtrans-76.9-34.6-173.100000113.1L216 V223 I224L216-G220 WeakPolarHBondContact O-CA 3.39Å; L216-G220 PolarHBondContact O-N 3.5Å; G220-V223 PolarHBondContact O-N 3.42Å; G220-I224 WeakPolarHBondContact O-CB 3.42Å; G220-I224 VanDerWaalsContact O-CG1 3.28Å; G220-I224 WeakPolarHBondContact O-CG1 3.25Å; G220-I224 PolarHBondContact O-N 3.07Å
221L94.6Very high95.6Very high22 Ų2228.9 Ų28.912%0.11514%0.135CC..Hα-helixtrans-63.3-48.7177.8-179.470.7000111.9Y125 I217 V223 I224 Q225 Y283Y125-L221 HydrophobicContact CD2-CD2 4.28Å; Y125-L221 HydrophobicContact CE2-CD1 4.43Å; Y125-L221 HydrophobicContact CE2-CD2 3.7Å; I217-L221 HydrophobicContact CG2-CB 4.41Å; I217-L221 HydrophobicContact CG2-CD2 4.44Å; I217-L221 VanDerWaalsContact O-CB 3.23Å; I217-L221 WeakPolarHBondContact O-CB 3.47Å; I217-L221 PolarHBondContact O-N 3.26Å; L221-V223 VanDerWaalsContact C-N 3.31Å; L221-V223 PolarHBondContact O-N 2.97Å; L221-I224 PolarHBondContact O-N 3.22Å; L221-Q225 WeakPolarHBondContact O-CG 3.4Å; L221-Q225 PolarHBondContact O-N 2.97Å; L221-Q225 VanDerWaalsContact O-N 3.07Å; L221-Y283 HydrophobicContact CD2-CD2 4.28Å; L221-Y283 HydrophobicContact CD2-CE2 3.89Å
222P96.3Very high95.8Very high2 Ų225 Ų251%0.01312%0.117CC..Hα-helixtrans-57.6-40.5172-26.334.5000113.3P218 Q225 I226 K279 F280P218-P222 WeakPolarHBondContact O-CD 3.42Å; P218-P222 WeakPolarHBondContact O-CG 3.41Å; P222-Q225 PolarHBondContact O-N 3.4Å; P222-I226 VanDerWaalsContact O-CG1 3.28Å; P222-I226 WeakPolarHBondContact O-CG1 3.19Å; P222-I226 PolarHBondContact O-N 3.23Å; P222-K279 HydrophobicContact CB-CB 4.22Å; P222-K279 HydrophobicContact CG-CB 4.19Å; P222-F280 HydrophobicContact CB-CD1 4.02Å; P222-F280 HydrophobicContact CB-CD2 3.82Å; P222-F280 HydrophobicContact CB-CE1 3.95Å; P222-F280 HydrophobicContact CB-CE2 3.75Å; P222-F280 HydrophobicContact CB-CG 3.98Å; P222-F280 HydrophobicContact CB-CZ 3.83Å; P222-F280 HydrophobicContact CG-CD1 4.08Å; P222-F280 HydrophobicContact CG-CD2 4.44Å; P222-F280 HydrophobicContact CG-CE1 4.38Å; P222-F280 HydrophobicContact CG-CG 4.13Å
223V97.6Very high96.1Very high43 Ų4324.7 Ų24.726%0.26111%0.113SC..Hα-helixtrans-66.5-41.8178.9177.70000111.7V184 L188 Y219 G220 L221 Q225 I226 C227 F280V184-V223 HydrophobicContact CG1-CG1 4.22Å; L188-V223 HydrophobicContact CD1-CB 3.78Å; L188-V223 HydrophobicContact CD1-CG1 3.36Å; Y219-V223 VanDerWaalsContact O-CG2 3.22Å; Y219-V223 WeakPolarHBondContact O-CG2 3.5Å; Y219-V223 PolarHBondContact O-N 2.94Å; G220-V223 PolarHBondContact O-N 3.42Å; L221-V223 VanDerWaalsContact C-N 3.31Å; L221-V223 PolarHBondContact O-N 2.97Å; V223-Q225 VanDerWaalsContact C-N 3.3Å; V223-Q225 PolarHBondContact O-N 2.95Å; V223-I226 PolarHBondContact O-N 2.71Å; V223-C227 PolarHBondContact O-N 3.36Å; V223-C227 PolarHBondContact O-SG 3.3Å; V223-F280 HydrophobicContact CG2-CE1 3.96Å; V223-F280 HydrophobicContact CG2-CZ 3.68Å
224I97.1Very high96.3Very high4 Ų424.7 Ų24.72%0.02111%0.113CC..Hα-helixtrans-55.8-48.3173.6-75.8172.7000109.8F185 L188 I192 G220 L221 I226 C227 E228F185-I224 HydrophobicContact CD2-CB 4.5Å; F185-I224 HydrophobicContact CD2-CG2 3.77Å; F185-I224 HydrophobicContact CE2-CG2 3.58Å; L188-I224 HydrophobicContact CB-CD1 3.92Å; L188-I224 HydrophobicContact CB-CG1 3.67Å; L188-I224 HydrophobicContact CD1-CG1 4.24Å; I192-I224 HydrophobicContact CD1-CD1 3.97Å; G220-I224 WeakPolarHBondContact O-CB 3.42Å; G220-I224 VanDerWaalsContact O-CG1 3.28Å; G220-I224 WeakPolarHBondContact O-CG1 3.25Å; G220-I224 PolarHBondContact O-N 3.07Å; L221-I224 PolarHBondContact O-N 3.22Å; I224-I226 PolarHBondContact O-N 3.06Å; I224-C227 WeakPolarHBondContact O-CB 2.91Å; I224-C227 PolarHBondContact O-N 3.22Å; I224-E228 PolarHBondContact O-N 3.44Å
225Q95.3Very high96.5Very high35 Ų3524.7 Ų24.716%0.16411%0.113CC..Hα-helixtrans-67.6-36.4-179.7-63.1174.4-7.100112.4L221 P222 V223 E228 L229 M276L221-Q225 WeakPolarHBondContact O-CG 3.4Å; L221-Q225 PolarHBondContact O-N 2.97Å; L221-Q225 VanDerWaalsContact O-N 3.07Å; P222-Q225 PolarHBondContact O-N 3.4Å; V223-Q225 VanDerWaalsContact C-N 3.3Å; V223-Q225 PolarHBondContact O-N 2.95Å; Q225-E228 PolarHBondContact O-N 3.11Å; Q225-L229 WeakPolarHBondContact O-CB 3.39Å; Q225-L229 PolarHBondContact O-N 3.43Å; Q225-M276 HydrophobicContact CB-CE 3.26Å; Q225-M276 HydrophobicContact CG-CE 4.25Å; Q225-M276 VanDerWaalsContact OE1-CE 3.25Å
226I97.4Very high96.6Very high15 Ų1522.1 Ų22.18%0.07710%0.104CC..Hα-helixtrans-59-48.5170.9-72.6164.8000110.3P222 V223 I224 E228 L229 L230 C272 I273 M276 F280P222-I226 VanDerWaalsContact O-CG1 3.28Å; P222-I226 WeakPolarHBondContact O-CG1 3.19Å; P222-I226 PolarHBondContact O-N 3.23Å; V223-I226 PolarHBondContact O-N 2.71Å; I224-I226 PolarHBondContact O-N 3.06Å; I226-E228 PolarHBondContact O-N 3.25Å; I226-L229 PolarHBondContact O-N 3.48Å; I226-L230 WeakPolarHBondContact O-CB 3.24Å; I226-L230 PolarHBondContact O-N 3Å; I226-C272 HydrophobicContact CG2-CB 4.42Å; I226-I273 HydrophobicContact CG2-CG1 4.41Å; I226-M276 HydrophobicContact CD1-CB 3.86Å; I226-M276 HydrophobicContact CG1-CB 3.34Å; I226-M276 HydrophobicContact CG1-CG 3.7Å; I226-F280 HydrophobicContact CD1-CE2 3.83Å; I226-F280 HydrophobicContact CD1-CZ 4.23Å
227C97.7Very high96.7Very high3 Ų320.4 Ų20.42%0.0210%0.098CC..Hα-helixtrans-60.8-44.5178.9-690000111.6F185 V223 I224 L230 V231F185-C227 HydrophobicContact CB-CB 3.86Å; F185-C227 HydrophobicContact CD2-CB 4.49Å; V223-C227 PolarHBondContact O-N 3.36Å; V223-C227 PolarHBondContact O-SG 3.3Å; I224-C227 WeakPolarHBondContact O-CB 2.91Å; I224-C227 PolarHBondContact O-N 3.22Å; C227-L230 PolarHBondContact O-N 3.38Å; C227-V231 WeakPolarHBondContact O-CB 3.18Å; C227-V231 VanDerWaalsContact O-CG2 3.23Å; C227-V231 WeakPolarHBondContact O-CG2 3.32Å; C227-V231 PolarHBondContact O-N 2.87Å
228E95.8Very high96.8Very high32 Ų3220.5 Ų20.515%0.1510%0.098CC..Hα-helixtrans-57.9-52.4176.2-77-173.3-152.600112F185 I224 Q225 I226 L230 V231 V232 K469 K472F185-E228 HydrophobicContact CD2-CG 3.87Å; F185-E228 HydrophobicContact CE2-CG 3.5Å; F185-E228 WeakPolarHBondContact CE2-OE1 3.46Å; F185-E228 HydrophobicContact CZ-CG 4.38Å; I224-E228 PolarHBondContact O-N 3.44Å; Q225-E228 PolarHBondContact O-N 3.11Å; I226-E228 PolarHBondContact O-N 3.25Å; E228-L230 VanDerWaalsContact C-N 3.33Å; E228-L230 PolarHBondContact O-N 3.04Å; E228-V231 PolarHBondContact O-N 3.19Å; E228-V232 WeakPolarHBondContact O-CG2 3.35Å; E228-V232 PolarHBondContact O-N 3.15Å; E228-K469 IonicContact OE2-NZ 3.15Å; E228-K472 IonicContact OE2-NZ 2.8Å; E228-K472 PolarHBondContact OE2-NZ 3.41Å
229L96.2Very high96.9Very high10 Ų1020.2 Ų20.25%0.05210%0.097CC..Hα-helixtrans-61.4-45.3-178.6179.858.6000111.2Q225 I226 V231 V232 W233 C272 Y275 M276 E320Q225-L229 WeakPolarHBondContact O-CB 3.39Å; Q225-L229 PolarHBondContact O-N 3.43Å; I226-L229 PolarHBondContact O-N 3.48Å; L229-V231 PolarHBondContact O-N 2.88Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.44Å; L229-W233 VanDerWaalsContact CD1-CD1 3.45Å; L229-W233 PolarHBondContact O-N 2.83Å; L229-C272 HydrophobicContact CD2-CB 4.45Å; L229-Y275 HydrophobicContact CD2-CD1 3.38Å; L229-Y275 HydrophobicContact CD2-CE1 3.65Å; L229-M276 HydrophobicContact CD2-CG 4.17Å; L229-M276 HydrophobicContact CD2-SD 4.45Å; L229-E320 HydrophobicContact CD1-CB 4.04Å; L229-E320 HydrophobicContact CD1-CG 3.8Å; L229-E320 HydrophobicContact CD2-CG 4.42Å
230L97.4Very high96.9Very high0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-62.6-46.2-177.8-176141.9000111.4F181 I226 C227 E228 V232 W233 L234 V268 I269 C272F181-L230 HydrophobicContact CB-CD2 4.09Å; F181-L230 HydrophobicContact CD1-CD2 4.13Å; F181-L230 HydrophobicContact CD2-CD1 4.39Å; F181-L230 HydrophobicContact CD2-CD2 3.12Å; F181-L230 HydrophobicContact CD2-CG 4.36Å; F181-L230 HydrophobicContact CE1-CD1 4.14Å; F181-L230 HydrophobicContact CE1-CD2 4.37Å; F181-L230 HydrophobicContact CE2-CD1 3.96Å; F181-L230 HydrophobicContact CE2-CD2 3.44Å; F181-L230 VanDerWaalsContact CE2-CD2 3.44Å; F181-L230 HydrophobicContact CE2-CG 4.36Å; F181-L230 HydrophobicContact CG-CD2 3.52Å; F181-L230 HydrophobicContact CZ-CD1 3.83Å; F181-L230 HydrophobicContact CZ-CD2 4.07Å; I226-L230 WeakPolarHBondContact O-CB 3.24Å; I226-L230 PolarHBondContact O-N 3Å; C227-L230 PolarHBondContact O-N 3.38Å; E228-L230 VanDerWaalsContact C-N 3.33Å; E228-L230 PolarHBondContact O-N 3.04Å; L230-V232 VanDerWaalsContact C-N 3.28Å; L230-V232 PolarHBondContact O-N 2.87Å; L230-W233 PolarHBondContact O-N 2.87Å; L230-L234 HydrophobicContact CD2-CD1 3.39Å; L230-L234 HydrophobicContact CD2-CG 3.81Å; L230-L234 HydrophobicContact CG-CD1 4.38Å; L230-L234 HydrophobicContact CG-CG 4.32Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.3Å; L230-L234 PolarHBondContact O-N 3.46Å; L230-V268 HydrophobicContact CG-CG1 4.37Å; L230-I269 HydrophobicContact CD1-CB 4.06Å; L230-I269 HydrophobicContact CD1-CG1 3.5Å; L230-I269 VanDerWaalsContact CD1-CG1 3.5Å; L230-C272 HydrophobicContact CB-CB 4.49Å; L230-C272 HydrophobicContact CD1-CB 4.49Å
231V97.4Very high96.8Very high4 Ų416.6 Ų16.62%0.0249%0.087CC..Hα-helixtrans-60.9-38.9177.6165.70000111.5F181 C227 E228 L229 T235 F502F181-V231 HydrophobicContact CB-CG2 4.02Å; C227-V231 WeakPolarHBondContact O-CB 3.18Å; C227-V231 VanDerWaalsContact O-CG2 3.23Å; C227-V231 WeakPolarHBondContact O-CG2 3.32Å; C227-V231 PolarHBondContact O-N 2.87Å; E228-V231 PolarHBondContact O-N 3.19Å; L229-V231 PolarHBondContact O-N 2.88Å; V231-T235 PolarHBondContact O-N 3.37Å; V231-T235 PolarHBondContact O-OG1 2.88Å; V231-F502 HydrophobicContact CG1-CE1 3.59Å; V231-F502 HydrophobicContact CG1-CZ 4.2Å
232V97.1Very high96.7Very high3 Ų315.7 Ų15.72%0.0188%0.082CC..Hα-helixtrans-62.5-49.5176.5168.40000110.6E228 L229 L230 T235 V236 P324 Y325 L465E228-V232 WeakPolarHBondContact O-CG2 3.35Å; E228-V232 PolarHBondContact O-N 3.15Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.44Å; L230-V232 VanDerWaalsContact C-N 3.28Å; L230-V232 PolarHBondContact O-N 2.87Å; V232-T235 WeakPolarHBondContact O-CB 3.36Å; V232-T235 PolarHBondContact O-N 3.48Å; V232-T235 VanDerWaalsContact O-N 3.17Å; V232-V236 PolarHBondContact O-N 3.28Å; V232-V236 VanDerWaalsContact O-N 3.13Å; V232-P324 HydrophobicContact CG1-CB 3.34Å; V232-P324 HydrophobicContact CG1-CG 3.8Å; V232-Y325 HydrophobicContact CG1-CE1 4.2Å; V232-L465 HydrophobicContact CB-CD1 4.44Å; V232-L465 HydrophobicContact CG1-CD1 4.34Å; V232-L465 HydrophobicContact CG2-CD1 4.23Å
233W98Very high96.5Very high80 Ų8016.8 Ų16.830%0.3039%0.088SC..Hα-helixtrans-68.1-35.1178-79104.9000113.5L229 L230 T235 V236 A237 V268 L319L229-W233 VanDerWaalsContact CD1-CD1 3.45Å; L229-W233 PolarHBondContact O-N 2.83Å; L230-W233 PolarHBondContact O-N 2.87Å; W233-T235 VanDerWaalsContact C-N 3.27Å; W233-T235 PolarHBondContact O-N 3.19Å; W233-V236 HydrophobicContact CE3-CB 4.49Å; W233-V236 PolarHBondContact O-N 3.04Å; W233-A237 WeakPolarHBondContact O-CB 3.39Å; W233-A237 PolarHBondContact O-N 2.82Å; W233-V268 HydrophobicContact CB-CG1 3.84Å; W233-L319 PolarHBondContact NE1-O 3.02Å
234L98Very high96.2Very high0 Ų017.9 Ų17.90%09%0.092CC..Hα-helixtrans-63.1-34.3171.6-72.8-170.9000111.9Y174 A177 M178 L230 A237 L238 V265 V268Y174-L234 HydrophobicContact CD1-CD2 4.22Å; A177-L234 HydrophobicContact CB-CD1 3.73Å; M178-L234 HydrophobicContact CG-CB 3.75Å; M178-L234 HydrophobicContact CG-CD1 3.75Å; M178-L234 HydrophobicContact CG-CG 4.44Å; M178-L234 HydrophobicContact SD-CB 4.16Å; L230-L234 HydrophobicContact CD2-CD1 3.39Å; L230-L234 HydrophobicContact CD2-CG 3.81Å; L230-L234 HydrophobicContact CG-CD1 4.38Å; L230-L234 HydrophobicContact CG-CG 4.32Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 VanDerWaalsContact O-CG 3.26Å; L230-L234 WeakPolarHBondContact O-CG 3.3Å; L230-L234 PolarHBondContact O-N 3.46Å; L234-A237 PolarHBondContact O-N 3.45Å; L234-L238 VanDerWaalsContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 PolarHBondContact O-N 2.92Å; L234-V265 HydrophobicContact CD2-CB 4.36Å; L234-V265 HydrophobicContact CD2-CG1 4.37Å; L234-V265 HydrophobicContact CD2-CG2 3.9Å; L234-V268 HydrophobicContact CD2-CB 4.32Å; L234-V268 HydrophobicContact CD2-CG1 4.17Å
235T97.6Very high95.9Very high1 Ų119.8 Ų19.81%0.00610%0.099CC..Hα-helixtrans-66-44174.2-56.80000111V231 V232 W233 L238 L239 I461 L465V231-T235 PolarHBondContact O-N 3.37Å; V231-T235 PolarHBondContact O-OG1 2.88Å; V232-T235 WeakPolarHBondContact O-CB 3.36Å; V232-T235 PolarHBondContact O-N 3.48Å; V232-T235 VanDerWaalsContact O-N 3.17Å; W233-T235 VanDerWaalsContact C-N 3.27Å; W233-T235 PolarHBondContact O-N 3.19Å; T235-L238 PolarHBondContact O-N 3.19Å; T235-L239 HydrophobicContact CG2-CD1 4.33Å; T235-L239 WeakPolarHBondContact O-CG 3.28Å; T235-L239 PolarHBondContact O-N 3.44Å; T235-I461 HydrophobicContact CG2-CG2 4.04Å; T235-L465 HydrophobicContact CG2-CD1 3.7Å
236V97.9Very high95.5Very high12 Ų1219.4 Ų19.47%0.07310%0.098CC..Hα-helixtrans-61.9-43174.3176.80000111.1V232 W233 L239 T240 P324 A327 L331V232-V236 PolarHBondContact O-N 3.28Å; V232-V236 VanDerWaalsContact O-N 3.13Å; W233-V236 HydrophobicContact CE3-CB 4.49Å; W233-V236 PolarHBondContact O-N 3.04Å; V236-L239 PolarHBondContact O-N 2.97Å; V236-T240 WeakPolarHBondContact O-CB 3.38Å; V236-T240 PolarHBondContact O-N 3.37Å; V236-T240 PolarHBondContact O-OG1 2.9Å; V236-P324 HydrophobicContact CG2-CB 4.25Å; V236-A327 HydrophobicContact CG1-CB 4.07Å; V236-A327 HydrophobicContact CG2-CB 4.49Å; V236-L331 HydrophobicContact CG1-CD1 3.92Å
237A97.5Very high95Very high17 Ų1722 Ų2214%0.1411%0.112CC..Hα-helixtrans-64.2-4217700000111.9Y174 W233 L234 T240 N241 I264Y174-A237 HydrophobicContact CD1-CB 4.13Å; Y174-A237 HydrophobicContact CE1-CB 3.64Å; W233-A237 WeakPolarHBondContact O-CB 3.39Å; W233-A237 PolarHBondContact O-N 2.82Å; L234-A237 PolarHBondContact O-N 3.45Å; A237-T240 PolarHBondContact O-N 3.35Å; A237-N241 VanDerWaalsContact O-CB 3.27Å; A237-N241 WeakPolarHBondContact O-CB 3.05Å; A237-N241 PolarHBondContact O-N 3.45Å; A237-I264 HydrophobicContact CB-CG2 4.17Å
238L96.8Very high94.4Very high2 Ų225.2 Ų25.21%0.0113%0.128CC..Hα-helixtrans-59.2-51.3174.1173.562.1000110.9A171 Y174 L175 M178 L234 T235 T240 N241 R242 A458A171-L238 HydrophobicContact CB-CD1 3.81Å; Y174-L238 HydrophobicContact CD2-CB 4.5Å; Y174-L238 HydrophobicContact CD2-CD1 4.18Å; Y174-L238 HydrophobicContact CG-CB 4.25Å; L175-L238 HydrophobicContact CD2-CD2 4.08Å; L175-L238 HydrophobicContact CG-CD2 4.49Å; M178-L238 HydrophobicContact CE-CD2 3.76Å; L234-L238 VanDerWaalsContact O-CB 3.31Å; L234-L238 WeakPolarHBondContact O-CB 3.38Å; L234-L238 PolarHBondContact O-N 2.92Å; T235-L238 PolarHBondContact O-N 3.19Å; L238-T240 VanDerWaalsContact C-N 3.34Å; L238-T240 PolarHBondContact O-N 3.35Å; L238-N241 WeakPolarHBondContact O-CB 3.47Å; L238-N241 PolarHBondContact O-N 3.09Å; L238-R242 HydrophobicContact CD1-CG 4.23Å; L238-R242 WeakPolarHBondContact O-CG 3.41Å; L238-R242 PolarHBondContact O-N 3.17Å; L238-A458 HydrophobicContact CD1-CB 4.35Å; L238-A458 HydrophobicContact CD2-CB 3.83Å; L238-A458 HydrophobicContact CG-CB 3.8Å
239L97Very high93.5Very high0 Ų025 Ų250%014%0.136CC..Hα-helixtrans-59.2-44.3177.9-73.4168.1000111.5T235 V236 N241 R242 L243 C328 L331 I332 I335 A458T235-L239 HydrophobicContact CG2-CD1 4.33Å; T235-L239 WeakPolarHBondContact O-CG 3.28Å; T235-L239 PolarHBondContact O-N 3.44Å; V236-L239 PolarHBondContact O-N 2.97Å; L239-N241 PolarHBondContact O-N 2.97Å; L239-R242 PolarHBondContact O-N 2.96Å; L239-R242 VanDerWaalsContact O-N 3.17Å; L239-L243 WeakPolarHBondContact O-CB 3.21Å; L239-L243 PolarHBondContact O-N 3.14Å; L239-C328 HydrophobicContact CD1-CB 4.41Å; L239-C328 VanDerWaalsContact CD1-SG 3.57Å; L239-L331 HydrophobicContact CB-CB 4.04Å; L239-L331 HydrophobicContact CB-CD1 3.86Å; L239-L331 HydrophobicContact CD1-CB 4.36Å; L239-I332 HydrophobicContact CD1-CG1 4.09Å; L239-I332 HydrophobicContact CD2-CG1 4.15Å; L239-I335 HydrophobicContact CB-CD1 4.19Å; L239-I335 HydrophobicContact CD2-CD1 3.82Å; L239-I335 WeakPolarHBondContact O-CD1 3.27Å; L239-A458 HydrophobicContact CD2-CB 4.28Å
240T95.8Very high92.3Very high55 Ų5529.8 Ų29.834%0.33717%0.167SC..Hα-helixtrans-60.2-47.4176.9-58.20000111.4V236 A237 L238 R242 L243 L244 L331V236-T240 WeakPolarHBondContact O-CB 3.38Å; V236-T240 PolarHBondContact O-N 3.37Å; V236-T240 PolarHBondContact O-OG1 2.9Å; A237-T240 PolarHBondContact O-N 3.35Å; L238-T240 VanDerWaalsContact C-N 3.34Å; L238-T240 PolarHBondContact O-N 3.35Å; T240-R242 VanDerWaalsContact C-N 3.26Å; T240-R242 PolarHBondContact O-N 3.4Å; T240-L243 PolarHBondContact O-N 3.08Å; T240-L244 HydrophobicContact CG2-CD1 4.4Å; T240-L244 WeakPolarHBondContact O-CG 2.95Å; T240-L244 PolarHBondContact O-N 2.9Å; T240-L331 WeakPolarHBondContact OG1-CD1 3.34Å
241N94.2Very high91.3Very high8 Ų836.8 Ų36.84%0.04320%0.199CC..Hα-helixtrans-59.7-36.8176.2175.354.6000112Y174 A237 L238 L239 Y245 C256Y174-N241 HydrophobicContact CE2-CB 3.96Å; A237-N241 VanDerWaalsContact O-CB 3.27Å; A237-N241 WeakPolarHBondContact O-CB 3.05Å; A237-N241 PolarHBondContact O-N 3.45Å; L238-N241 WeakPolarHBondContact O-CB 3.47Å; L238-N241 PolarHBondContact O-N 3.09Å; L239-N241 PolarHBondContact O-N 2.97Å; N241-Y245 PolarHBondContact O-N 3.31Å; N241-Y245 VanDerWaalsContact O-N 3.12Å; N241-C256 WeakPolarHBondContact OD1-CB 3.17Å; N241-C256 PolarHBondContact OD1-SG 3.19Å; N241-C256 VanDerWaalsContact OD1-SG 3.32Å
242R92.5Very high90.4Very high4 Ų436.9 Ų36.92%0.01520%0.2CC..Hα-helixtrans-74.4-34.8175.5-65.2-53.378.2-170.9-0.9113.3L238 L239 T240 Y245 L246 E451 V455 A458L238-R242 HydrophobicContact CD1-CG 4.23Å; L238-R242 WeakPolarHBondContact O-CG 3.41Å; L238-R242 PolarHBondContact O-N 3.17Å; L239-R242 PolarHBondContact O-N 2.96Å; L239-R242 VanDerWaalsContact O-N 3.17Å; T240-R242 VanDerWaalsContact C-N 3.26Å; T240-R242 PolarHBondContact O-N 3.4Å; R242-Y245 WeakPolarHBondContact O-CB 3.27Å; R242-Y245 PolarHBondContact O-N 3.21Å; R242-L246 WeakPolarHBondContact O-CG 3.45Å; R242-L246 PolarHBondContact O-N 3.41Å; R242-L246 VanDerWaalsContact O-N 3.08Å; R242-E451 IonicContact CZ-OE2 3.76Å; R242-E451 IonicContact NH1-OE2 3.96Å; R242-E451 PolarHBondContact NH1-OE2 3.11Å; R242-V455 HydrophobicContact CB-CG1 4.01Å; R242-V455 HydrophobicContact CB-CG2 4.21Å; R242-V455 HydrophobicContact CG-CG1 4.49Å; R242-V455 HydrophobicContact CG-CG2 4.36Å; R242-A458 HydrophobicContact CG-CB 3.86Å
243L92.9Very high89.3Confident24 Ų2445.3 Ų45.313%0.12624%0.237CC..Hα-helixtrans-64.8-43.3172.2178.759.4000111.4L239 T240 Y245 L246 N247 L331 T334 I335 K338L239-L243 WeakPolarHBondContact O-CB 3.21Å; L239-L243 PolarHBondContact O-N 3.14Å; T240-L243 PolarHBondContact O-N 3.08Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.27Å; L243-L246 PolarHBondContact O-N 3.46Å; L243-N247 WeakPolarHBondContact O-CB 3.32Å; L243-N247 PolarHBondContact O-N 2.89Å; L243-N247 PolarHBondContact O-ND2 3.38Å; L243-N247 PolarHBondContact O-OD1 3.37Å; L243-L331 HydrophobicContact CD2-CD2 3.58Å; L243-T334 HydrophobicContact CD1-CG2 3.8Å; L243-T334 HydrophobicContact CD2-CG2 4.2Å; L243-I335 HydrophobicContact CB-CD1 4.17Å; L243-I335 HydrophobicContact CB-CG1 3.87Å; L243-I335 HydrophobicContact CD1-CG1 4.01Å; L243-I335 HydrophobicContact CG-CG1 4.45Å; L243-K338 HydrophobicContact CD1-CD 3.97Å
244L91.8Very high88.2Confident66 Ų6645.6 Ų45.635%0.34625%0.251SS..Hα-helixtrans-60.7-41175.1-72.3175.1000111.8T240 N247 L248T240-L244 HydrophobicContact CG2-CD1 4.4Å; T240-L244 WeakPolarHBondContact O-CG 2.95Å; T240-L244 PolarHBondContact O-N 2.9Å; L244-N247 PolarHBondContact O-N 3.49Å; L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 2.95Å
245Y88.9Confident87.3Confident45 Ų4550.2 Ų50.218%0.17628%0.275CS..Hα-helixtrans-57-48.6173176-96.4000112.1N241 R242 L243 N247 G249 S252 E451 V455N241-Y245 PolarHBondContact O-N 3.31Å; N241-Y245 VanDerWaalsContact O-N 3.12Å; R242-Y245 WeakPolarHBondContact O-CB 3.27Å; R242-Y245 PolarHBondContact O-N 3.21Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.27Å; Y245-N247 VanDerWaalsContact C-N 3.32Å; Y245-N247 PolarHBondContact O-N 3.36Å; Y245-G249 PolarHBondContact O-N 3.33Å; Y245-S252 WeakPolarHBondContact CD2-OG 3.41Å; Y245-E451 HydrophobicContact CE1-CB 3.88Å; Y245-E451 HydrophobicContact CE2-CB 4.29Å; Y245-E451 HydrophobicContact CE2-CG 4.14Å; Y245-E451 WeakPolarHBondContact OH-CB 3.18Å; Y245-V455 HydrophobicContact CD1-CG2 4.31Å
246L87.2Confident86.5Confident26 Ų2650.9 Ų50.914%0.13628%0.279CS..Hα-helixtrans-65.2-33.1178.1-70.4177.2000113.3R242 L243 I335 M339 V455R242-L246 WeakPolarHBondContact O-CG 3.45Å; R242-L246 PolarHBondContact O-N 3.41Å; R242-L246 VanDerWaalsContact O-N 3.08Å; L243-L246 PolarHBondContact O-N 3.46Å; L246-I335 HydrophobicContact CD1-CB 4.5Å; L246-I335 HydrophobicContact CD1-CG2 3.85Å; L246-M339 HydrophobicContact CD1-CG 4.25Å; L246-V455 HydrophobicContact CD1-CG1 4.19Å
247N88.1Confident86Confident70 Ų7052.5 Ų52.537%0.37429%0.291SS..Hα-helixtrans-78.6-39.1-176.3-65.7-9.8000113.3L243 L244 Y245 K338L243-N247 WeakPolarHBondContact O-CB 3.32Å; L243-N247 PolarHBondContact O-N 2.89Å; L243-N247 PolarHBondContact O-ND2 3.38Å; L243-N247 PolarHBondContact O-OD1 3.37Å; L244-N247 PolarHBondContact O-N 3.49Å; Y245-N247 VanDerWaalsContact C-N 3.32Å; Y245-N247 PolarHBondContact O-N 3.36Å; N247-K338 PolarHBondContact ND2-NZ 2.92Å; N247-K338 WeakPolarHBondContact OD1-CD 3.5Å; N247-K338 WeakPolarHBondContact OD1-CE 3.24Å; N247-K338 PolarHBondContact OD1-NZ 3.48Å
248L84.9Confident85.6Confident70 Ų7054.6 Ų54.637%0.36630%0.298SS..Hα-helixtrans-99.7-11.7-171.6-62.9172.7000112.8L244 H251 L255L244-L248 WeakPolarHBondContact O-CB 3.26Å; L244-L248 PolarHBondContact O-N 2.95Å; L248-H251 HydrophobicContact CB-CB 4.42Å; L248-H251 PolarHBondContact O-N 3.05Å; L248-L255 HydrophobicContact CD1-CD1 3.53Å
249G77.4Confident85.3Confident29 Ų2959.8 Ų59.830%0.29933%0.326SS..G310 helixtrans51.7-121.817700000111.6Y245 H251 S252Y245-G249 PolarHBondContact O-N 3.33Å; G249-H251 PolarHBondContact O-N 2.89Å; G249-S252 WeakPolarHBondContact O-CB 3.32Å; G249-S252 PolarHBondContact O-N 3.45Å; G249-S252 PolarHBondContact O-OG 3.37Å
250P69.6Low85.1Confident110 Ų11063 Ų6371%0.71434%0.34SS*.G310 helixtrans-58.3-29.6-179.7-22.332.4000114.5S252P250-S252 PolarHBondContact O-N 3.13Å
251H76.4Confident85.1Confident147 Ų14760.4 Ų60.468%0.68133%0.325SS*.G310 helixtrans-77.5-8.9-178.4-67.536000112.4L248 G249 K253 S254L248-H251 HydrophobicContact CB-CB 4.42Å; L248-H251 PolarHBondContact O-N 3.05Å; G249-H251 PolarHBondContact O-N 2.89Å; H251-K253 PolarHBondContact O-N 3.47Å; H251-S254 PolarHBondContact O-OG 3.41Å
252S78.4Confident85.1Confident6 Ų662.9 Ų62.94%0.04234%0.34CS..Hα-helixtrans-65.4-18.7179.166.40000114Y245 G249 P250 S254 L255 C256Y245-S252 WeakPolarHBondContact CD2-OG 3.41Å; G249-S252 WeakPolarHBondContact O-CB 3.32Å; G249-S252 PolarHBondContact O-N 3.45Å; G249-S252 PolarHBondContact O-OG 3.37Å; P250-S252 PolarHBondContact O-N 3.13Å; S252-S254 PolarHBondContact O-N 3.45Å; S252-S254 VanDerWaalsContact O-N 3.14Å; S252-L255 PolarHBondContact O-N 2.91Å; S252-C256 WeakPolarHBondContact O-CB 3.48Å; S252-C256 PolarHBondContact O-N 3.25Å
253K74.8Confident85.3Confident179 Ų17967.9 Ų67.978%0.77836%0.362SS*.Hα-helixtrans-57.2-31.8-176.1-70.9-174.7178.6-179.50113.4H251H251-K253 PolarHBondContact O-N 3.47Å
254S74.8Confident85.5Confident86 Ų8670.1 Ų70.160%0.60137%0.373SS*.Hα-helixtrans-75.6-43.3178.659.80000112.6H251 S252H251-S254 PolarHBondContact O-OG 3.41Å; S252-S254 PolarHBondContact O-N 3.45Å; S252-S254 VanDerWaalsContact O-N 3.14Å
255L78.1Confident85.8Confident98 Ų9867.5 Ų67.551%0.51336%0.36SS..Hα-helixtrans-85.5-32.1-174.8-64.7178.7000113.4L248 S252 S257L248-L255 HydrophobicContact CD1-CD1 3.53Å; S252-L255 PolarHBondContact O-N 2.91Å; L255-S257 VanDerWaalsContact C-N 3.25Å; L255-S257 PolarHBondContact O-N 3.4Å
256C81.8Confident86.2Confident14 Ų1468.1 Ų68.110%0.09537%0.369CS..THydrogen-bonded Turntrans-93.923.6179.8-58.60000112.1N241 S252N241-C256 WeakPolarHBondContact OD1-CB 3.17Å; N241-C256 PolarHBondContact OD1-SG 3.19Å; N241-C256 VanDerWaalsContact OD1-SG 3.32Å; S252-C256 WeakPolarHBondContact O-CB 3.48Å; S252-C256 PolarHBondContact O-N 3.25Å
257S87.2Confident86.7Confident46 Ų4669.1 Ų69.132%0.32238%0.381SS..  trans-63.8151.5177.9-179.90000111.4L255 L259 E260 S261L255-S257 VanDerWaalsContact C-N 3.25Å; L255-S257 PolarHBondContact O-N 3.4Å; S257-L259 VanDerWaalsContact C-N 3.29Å; S257-L259 PolarHBondContact O-N 2.9Å; S257-E260 PolarHBondContact O-N 3.44Å; S257-S261 PolarHBondContact O-N 3.18Å; S257-S261 PolarHBondContact O-OG 3Å
258Q89.1Confident87.2Confident61 Ų6166.8 Ų66.829%0.28537%0.369SS..Hα-helixtrans-62.1-38.7176.7-64.4174.811.100111.7R168 V173 E260 S261 V262R168-Q258 VanDerWaalsContact C-NE2 3.28Å; R168-Q258 VanDerWaalsContact CD-OE1 3.27Å; R168-Q258 VanDerWaalsContact CG-NE2 3.34Å; R168-Q258 PolarHBondContact O-NE2 3Å; V173-Q258 HydrophobicContact CG2-CB 4.42Å; Q258-E260 VanDerWaalsContact C-N 3.34Å; Q258-E260 PolarHBondContact O-N 2.91Å; Q258-S261 WeakPolarHBondContact O-CB 3.33Å; Q258-S261 PolarHBondContact O-N 3.49Å; Q258-V262 WeakPolarHBondContact O-CG2 3.22Å; Q258-V262 PolarHBondContact O-N 3.46Å
259L90.9Very high87.8Confident112 Ų11265.5 Ų65.559%0.58636%0.362SS*.Hα-helixtrans-63.8-42.6179.8-174.867.2000111.1S257 S261 V262 K263S257-L259 VanDerWaalsContact C-N 3.29Å; S257-L259 PolarHBondContact O-N 2.9Å; L259-S261 VanDerWaalsContact C-N 3.33Å; L259-V262 PolarHBondContact O-N 3.27Å; L259-K263 WeakPolarHBondContact O-CG 3.36Å; L259-K263 PolarHBondContact O-N 3.47Å
260E93.4Very high88.8Confident67 Ų6771 Ų7131%0.31338%0.378SS..Hα-helixtrans-64.8-39.6175-65.9-52.913200111.4S257 Q258 V262 K263 I264S257-E260 PolarHBondContact O-N 3.44Å; Q258-E260 VanDerWaalsContact C-N 3.34Å; Q258-E260 PolarHBondContact O-N 2.91Å; E260-V262 VanDerWaalsContact C-N 3.33Å; E260-V262 PolarHBondContact O-N 3.37Å; E260-K263 WeakPolarHBondContact O-CB 3.43Å; E260-K263 PolarHBondContact O-N 3.24Å; E260-K263 IonicContact OE1-NZ 2.69Å; E260-K263 PolarHBondContact OE1-NZ 3.45Å; E260-K263 IonicContact OE2-NZ 3.17Å; E260-I264 WeakPolarHBondContact O-CG1 3.4Å; E260-I264 PolarHBondContact O-N 2.97Å
261S94.4Very high90.1Very high1 Ų171.6 Ų71.61%0.00737%0.374CS..Hα-helixtrans-62-40.3174.7-55.50000111.9G170 S257 Q258 L259 I264 V265G170-S261 VanDerWaalsContact CA-OG 3.25Å; G170-S261 WeakPolarHBondContact CA-OG 3.29Å; S257-S261 PolarHBondContact O-N 3.18Å; S257-S261 PolarHBondContact O-OG 3Å; Q258-S261 WeakPolarHBondContact O-CB 3.33Å; Q258-S261 PolarHBondContact O-N 3.49Å; L259-S261 VanDerWaalsContact C-N 3.33Å; S261-I264 PolarHBondContact O-N 3.33Å; S261-V265 WeakPolarHBondContact O-CB 3.16Å; S261-V265 VanDerWaalsContact O-CG2 3.24Å; S261-V265 WeakPolarHBondContact O-CG2 3.39Å; S261-V265 PolarHBondContact O-N 3.39Å
262V95.4Very high91.1Very high60 Ų6064.9 Ų64.936%0.36434%0.344SS..Hα-helixtrans-64-42.4174.5172.40000111.4V173 Q258 L259 E260 V265 T266V173-V262 HydrophobicContact CG1-CG2 3.75Å; Q258-V262 WeakPolarHBondContact O-CG2 3.22Å; Q258-V262 PolarHBondContact O-N 3.46Å; L259-V262 PolarHBondContact O-N 3.27Å; E260-V262 VanDerWaalsContact C-N 3.33Å; E260-V262 PolarHBondContact O-N 3.37Å; V262-V265 PolarHBondContact O-N 2.8Å; V262-T266 VanDerWaalsContact O-CB 3.31Å; V262-T266 WeakPolarHBondContact O-CB 3.24Å; V262-T266 PolarHBondContact O-N 3.47Å; V262-T266 PolarHBondContact O-OG1 3.35Å
263K96.8Very high92Very high108 Ų10868.5 Ų68.547%0.4736%0.362SS..Hα-helixtrans-60.1-45.6175.5-70.7173.8-176.1171.30111.4L259 E260 T266 A267L259-K263 WeakPolarHBondContact O-CG 3.36Å; L259-K263 PolarHBondContact O-N 3.47Å; E260-K263 WeakPolarHBondContact O-CB 3.43Å; E260-K263 PolarHBondContact O-N 3.24Å; E260-K263 IonicContact OE1-NZ 2.69Å; E260-K263 PolarHBondContact OE1-NZ 3.45Å; E260-K263 IonicContact OE2-NZ 3.17Å; K263-T266 PolarHBondContact O-N 3.03Å; K263-A267 WeakPolarHBondContact O-CB 3.47Å; K263-A267 PolarHBondContact O-N 3.08Å
264I96.9Very high93Very high71 Ų7163.7 Ų63.736%0.36436%0.355SS..Hα-helixtrans-63.5-48.9178.2-67165.5000110.6Y174 A237 E260 S261 T266 A267 V268Y174-I264 HydrophobicContact CE1-CB 4.42Å; Y174-I264 HydrophobicContact CE1-CG2 3.99Å; Y174-I264 VanDerWaalsContact OH-CD1 3.3Å; Y174-I264 WeakPolarHBondContact OH-CD1 3.37Å; A237-I264 HydrophobicContact CB-CG2 4.17Å; E260-I264 WeakPolarHBondContact O-CG1 3.4Å; E260-I264 PolarHBondContact O-N 2.97Å; S261-I264 PolarHBondContact O-N 3.33Å; I264-T266 VanDerWaalsContact C-N 3.29Å; I264-T266 PolarHBondContact O-N 3.01Å; I264-A267 PolarHBondContact O-N 2.68Å; I264-V268 HydrophobicContact CG2-CG2 4.36Å; I264-V268 WeakPolarHBondContact O-CG2 3.37Å; I264-V268 PolarHBondContact O-N 2.63Å
265V97.5Very high94Very high12 Ų1261.7 Ų61.77%0.07334%0.335CS..Hα-helixtrans-56-46.6176.51690000110.7V173 Y174 A177 L234 S261 V262 A267 V268 I269V173-V265 HydrophobicContact CG1-CG2 4.3Å; Y174-V265 HydrophobicContact CD1-CG2 3.66Å; Y174-V265 HydrophobicContact CE1-CG2 3.83Å; Y174-V265 HydrophobicContact CG-CG2 4.48Å; A177-V265 HydrophobicContact CB-CG1 3.74Å; A177-V265 HydrophobicContact CB-CG2 4.35Å; L234-V265 HydrophobicContact CD2-CB 4.36Å; L234-V265 HydrophobicContact CD2-CG1 4.37Å; L234-V265 HydrophobicContact CD2-CG2 3.9Å; S261-V265 WeakPolarHBondContact O-CB 3.16Å; S261-V265 VanDerWaalsContact O-CG2 3.24Å; S261-V265 WeakPolarHBondContact O-CG2 3.39Å; S261-V265 PolarHBondContact O-N 3.39Å; V262-V265 PolarHBondContact O-N 2.8Å; V265-A267 PolarHBondContact O-N 3.47Å; V265-V268 PolarHBondContact O-N 2.84Å; V265-I269 HydrophobicContact CG1-CD1 3.9Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.5Å; V265-I269 PolarHBondContact O-N 3.22Å
266T97.7Very high94.8Very high58 Ų5857 Ų5736%0.35631%0.311SS..Hα-helixtrans-61.5-45.1178.7-56.50000111.4V262 K263 I264 V268 I269 F270V262-T266 VanDerWaalsContact O-CB 3.31Å; V262-T266 WeakPolarHBondContact O-CB 3.24Å; V262-T266 PolarHBondContact O-N 3.47Å; V262-T266 PolarHBondContact O-OG1 3.35Å; K263-T266 PolarHBondContact O-N 3.03Å; I264-T266 VanDerWaalsContact C-N 3.29Å; I264-T266 PolarHBondContact O-N 3.01Å; T266-V268 PolarHBondContact O-N 2.91Å; T266-I269 PolarHBondContact O-N 3.41Å; T266-F270 HydrophobicContact CG2-CD2 3.79Å; T266-F270 HydrophobicContact CG2-CE2 3.52Å; T266-F270 WeakPolarHBondContact O-CD2 3.36Å; T266-F270 PolarHBondContact O-N 3.18Å; T266-F270 VanDerWaalsContact O-N 3.09Å
267A98Very high95.4Very high47 Ų4757.4 Ų57.439%0.38832%0.317SS..Hα-helixtrans-61.9-43.3176.800000112.2K263 I264 V265 I269 F270 L271K263-A267 WeakPolarHBondContact O-CB 3.47Å; K263-A267 PolarHBondContact O-N 3.08Å; I264-A267 PolarHBondContact O-N 2.68Å; V265-A267 PolarHBondContact O-N 3.47Å; A267-I269 VanDerWaalsContact C-N 3.35Å; A267-I269 PolarHBondContact O-N 3.35Å; A267-F270 PolarHBondContact O-N 2.93Å; A267-L271 WeakPolarHBondContact O-CB 3.36Å; A267-L271 VanDerWaalsContact O-CG 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.34Å; A267-L271 PolarHBondContact O-N 3.47Å
268V97.8Very high95.7Very high21 Ų2158.1 Ų58.113%0.12732%0.321CS..Hα-helixtrans-62-41.9176.6173.40000111L230 W233 L234 I264 V265 T266 L271 C272L230-V268 HydrophobicContact CG-CG1 4.37Å; W233-V268 HydrophobicContact CB-CG1 3.84Å; L234-V268 HydrophobicContact CD2-CB 4.32Å; L234-V268 HydrophobicContact CD2-CG1 4.17Å; I264-V268 HydrophobicContact CG2-CG2 4.36Å; I264-V268 WeakPolarHBondContact O-CG2 3.37Å; I264-V268 PolarHBondContact O-N 2.63Å; V265-V268 PolarHBondContact O-N 2.84Å; T266-V268 PolarHBondContact O-N 2.91Å; V268-L271 PolarHBondContact O-N 3.45Å; V268-C272 WeakPolarHBondContact O-CB 3.26Å; V268-C272 PolarHBondContact O-N 3.37Å; V268-C272 PolarHBondContact O-SG 3.2Å
269I98Very high95.9Very high43 Ų4355.4 Ų55.422%0.22131%0.308CS..Hα-helixtrans-56.7-53.3174.8-68161.4000110.6F181 L230 V265 T266 A267 L271 C272 I273F181-I269 HydrophobicContact CE2-CD1 4.02Å; F181-I269 HydrophobicContact CE2-CG1 4.03Å; F181-I269 HydrophobicContact CZ-CD1 3.92Å; F181-I269 HydrophobicContact CZ-CG1 3.82Å; L230-I269 HydrophobicContact CD1-CB 4.06Å; L230-I269 HydrophobicContact CD1-CG1 3.5Å; L230-I269 VanDerWaalsContact CD1-CG1 3.5Å; V265-I269 HydrophobicContact CG1-CD1 3.9Å; V265-I269 VanDerWaalsContact O-CG1 3.29Å; V265-I269 WeakPolarHBondContact O-CG1 3.5Å; V265-I269 PolarHBondContact O-N 3.22Å; T266-I269 PolarHBondContact O-N 3.41Å; A267-I269 VanDerWaalsContact C-N 3.35Å; A267-I269 PolarHBondContact O-N 3.35Å; I269-L271 PolarHBondContact O-N 2.96Å; I269-C272 PolarHBondContact O-N 3.47Å; I269-I273 HydrophobicContact CG2-CD1 3.71Å; I269-I273 HydrophobicContact CG2-CG1 4.49Å; I269-I273 WeakPolarHBondContact O-CG1 3.37Å; I269-I273 PolarHBondContact O-N 2.94Å
270F97.9Very high96.2Very high144 Ų14453.2 Ų53.263%0.63229%0.294SS*.Hα-helixtrans-62.1-41.6-178.5-79.8-66000112.7T266 A267 I273 A274T266-F270 HydrophobicContact CG2-CD2 3.79Å; T266-F270 HydrophobicContact CG2-CE2 3.52Å; T266-F270 WeakPolarHBondContact O-CD2 3.36Å; T266-F270 PolarHBondContact O-N 3.18Å; T266-F270 VanDerWaalsContact O-N 3.09Å; A267-F270 PolarHBondContact O-N 2.93Å; F270-I273 PolarHBondContact O-N 3.39Å; F270-A274 VanDerWaalsContact O-CB 3.3Å; F270-A274 WeakPolarHBondContact O-CB 3.49Å; F270-A274 PolarHBondContact O-N 2.85Å
271L97.1Very high96.3Very high122 Ų12256.6 Ų56.664%0.63931%0.308SS*.Hα-helixtrans-63.8-42177.3-72171.1000111.9A267 V268 I269 A274 Y275A267-L271 WeakPolarHBondContact O-CB 3.36Å; A267-L271 VanDerWaalsContact O-CG 3.32Å; A267-L271 WeakPolarHBondContact O-CG 3.34Å; A267-L271 PolarHBondContact O-N 3.47Å; V268-L271 PolarHBondContact O-N 3.45Å; I269-L271 PolarHBondContact O-N 2.96Å; L271-A274 PolarHBondContact O-N 3.12Å; L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.23Å; L271-Y275 PolarHBondContact O-N 3.37Å
272C97Very high96.2Very high6 Ų657 Ų574%0.04131%0.31CS..Hα-helixtrans-65.8-42.1177.7-66.10000111.9I226 L229 L230 V268 I269 Y275 M276I226-C272 HydrophobicContact CG2-CB 4.42Å; L229-C272 HydrophobicContact CD2-CB 4.45Å; L230-C272 HydrophobicContact CB-CB 4.49Å; L230-C272 HydrophobicContact CD1-CB 4.49Å; V268-C272 WeakPolarHBondContact O-CB 3.26Å; V268-C272 PolarHBondContact O-N 3.37Å; V268-C272 PolarHBondContact O-SG 3.2Å; I269-C272 PolarHBondContact O-N 3.47Å; C272-Y275 PolarHBondContact O-N 3.4Å; C272-M276 WeakPolarHBondContact O-CB 3.39Å; C272-M276 WeakPolarHBondContact O-CG 3.2Å; C272-M276 PolarHBondContact O-N 2.69Å
273I96.8Very high96.2Very high82 Ų8255.8 Ų55.842%0.42130%0.299SS..Hα-helixtrans-65.5-43.6176.5-66.8170.1000110.7I226 I269 F270 Y275 M276 G277I226-I273 HydrophobicContact CG2-CG1 4.41Å; I269-I273 HydrophobicContact CG2-CD1 3.71Å; I269-I273 HydrophobicContact CG2-CG1 4.49Å; I269-I273 WeakPolarHBondContact O-CG1 3.37Å; I269-I273 PolarHBondContact O-N 2.94Å; F270-I273 PolarHBondContact O-N 3.39Å; I273-Y275 VanDerWaalsContact C-N 3.32Å; I273-Y275 PolarHBondContact O-N 3.35Å; I273-M276 PolarHBondContact O-N 2.7Å; I273-G277 VanDerWaalsContact O-CA 3.31Å; I273-G277 WeakPolarHBondContact O-CA 3.48Å; I273-G277 PolarHBondContact O-N 3.12Å
274A96.6Very high96.1Very high78 Ų7853.7 Ų53.765%0.64530%0.295SS*.Hα-helixtrans-62.8-40.4178.300000112F270 L271F270-A274 VanDerWaalsContact O-CB 3.3Å; F270-A274 WeakPolarHBondContact O-CB 3.49Å; F270-A274 PolarHBondContact O-N 2.85Å; L271-A274 PolarHBondContact O-N 3.12Å
275Y95.4Very high96Very high45 Ų4554.4 Ų54.418%0.17629%0.294CS..Hα-helixtrans-68-46177.4171.4-110.8000112.5L229 L271 C272 I273 L315 K316 L319 E320L229-Y275 HydrophobicContact CD2-CD1 3.38Å; L229-Y275 HydrophobicContact CD2-CE1 3.65Å; L271-Y275 VanDerWaalsContact O-CB 3.26Å; L271-Y275 WeakPolarHBondContact O-CB 3.23Å; L271-Y275 PolarHBondContact O-N 3.37Å; C272-Y275 PolarHBondContact O-N 3.4Å; I273-Y275 VanDerWaalsContact C-N 3.32Å; I273-Y275 PolarHBondContact O-N 3.35Å; Y275-L315 HydrophobicContact CE2-CB 3.82Å; Y275-L315 HydrophobicContact CE2-CD1 4.06Å; Y275-L315 HydrophobicContact CE2-CD2 4.31Å; Y275-L315 HydrophobicContact CE2-CG 4.29Å; Y275-L315 WeakPolarHBondContact OH-CB 3.39Å; Y275-K316 PolarHBondContact OH-N 2.91Å; Y275-L319 HydrophobicContact CD2-CD1 4.29Å; Y275-L319 HydrophobicContact CE2-CD1 3.78Å; Y275-E320 HydrophobicContact CE1-CG 3.97Å; Y275-E320 VanDerWaalsContact CE1-OE1 3.25Å; Y275-E320 WeakPolarHBondContact CE1-OE1 3.03Å; Y275-E320 PolarHBondContact OH-OE1 2.78Å
276M94.7Very high95.7Very high0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-89.9-8.4-175.5-63.2-59.4-84.200114.5Q225 I226 L229 C272 I273 C278 K279Q225-M276 HydrophobicContact CB-CE 3.26Å; Q225-M276 HydrophobicContact CG-CE 4.25Å; Q225-M276 VanDerWaalsContact OE1-CE 3.25Å; I226-M276 HydrophobicContact CD1-CB 3.86Å; I226-M276 HydrophobicContact CG1-CB 3.34Å; I226-M276 HydrophobicContact CG1-CG 3.7Å; L229-M276 HydrophobicContact CD2-CG 4.17Å; L229-M276 HydrophobicContact CD2-SD 4.45Å; C272-M276 WeakPolarHBondContact O-CB 3.39Å; C272-M276 WeakPolarHBondContact O-CG 3.2Å; C272-M276 PolarHBondContact O-N 2.69Å; I273-M276 PolarHBondContact O-N 2.7Å; M276-C278 PolarHBondContact O-N 3.48Å; M276-C278 VanDerWaalsContact O-N 3.1Å; M276-K279 HydrophobicContact CE-CD 3.81Å; M276-K279 WeakPolarHBondContact O-CB 3.28Å; M276-K279 PolarHBondContact O-N 2.68Å
277G94.2Very high95.5Very high22 Ų2258.5 Ų58.523%0.22731%0.312CS..G310 helixtrans-54.7-33.1-175.700000113.3I273 K279 F280I273-G277 VanDerWaalsContact O-CA 3.31Å; I273-G277 WeakPolarHBondContact O-CA 3.48Å; I273-G277 PolarHBondContact O-N 3.12Å; G277-K279 VanDerWaalsContact C-N 3.28Å; G277-K279 PolarHBondContact O-N 3.38Å; G277-F280 WeakPolarHBondContact O-CD2 3.35Å; G277-F280 PolarHBondContact O-N 2.84Å
278C94Very high95Very high61 Ų6158.6 Ų58.641%0.41230%0.303SS..G310 helixtrans-65.5-27.2177.8-62.20000113.5M276 F280 F281 F307M276-C278 PolarHBondContact O-N 3.48Å; M276-C278 VanDerWaalsContact O-N 3.1Å; C278-F280 PolarHBondContact O-N 3.44Å; C278-F281 PolarHBondContact O-N 2.93Å; C278-F281 VanDerWaalsContact O-N 3.1Å; C278-F307 HydrophobicContact CB-CE2 4.16Å
279K94.2Very high94.5Very high4 Ų462 Ų622%0.01733%0.325CS..G310 helixtrans-69.9-19.6-179.3-70.3-156.6168.6-143.10113.8P222 M276 G277 F281 E282 M311 D312P222-K279 HydrophobicContact CB-CB 4.22Å; P222-K279 HydrophobicContact CG-CB 4.19Å; M276-K279 HydrophobicContact CE-CD 3.81Å; M276-K279 WeakPolarHBondContact O-CB 3.28Å; M276-K279 PolarHBondContact O-N 2.68Å; G277-K279 VanDerWaalsContact C-N 3.28Å; G277-K279 PolarHBondContact O-N 3.38Å; K279-F281 PolarHBondContact O-N 3.32Å; K279-F281 VanDerWaalsContact O-N 3.14Å; K279-E282 IonicContact NZ-OE2 2.84Å; K279-E282 VanDerWaalsContact O-CB 3.28Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.31Å; K279-M311 HydrophobicContact CD-CE 4.34Å; K279-M311 HydrophobicContact CG-CE 3.85Å; K279-D312 IonicContact NZ-OD1 2.69Å; K279-D312 PolarHBondContact NZ-OD1 2.99Å
280F95.8Very high93.8Very high66 Ų6665.4 Ų65.429%0.28934%0.344SS..G310 helixtrans-61.6-18.6170.1-74.8-86.4000113.3Y219 P222 V223 I226 G277 C278Y219-F280 HydrophobicContact CD1-CD1 4.48Å; Y219-F280 WeakPolarHBondContact O-CE1 3.49Å; P222-F280 HydrophobicContact CB-CD1 4.02Å; P222-F280 HydrophobicContact CB-CD2 3.82Å; P222-F280 HydrophobicContact CB-CE1 3.95Å; P222-F280 HydrophobicContact CB-CE2 3.75Å; P222-F280 HydrophobicContact CB-CG 3.98Å; P222-F280 HydrophobicContact CB-CZ 3.83Å; P222-F280 HydrophobicContact CG-CD1 4.08Å; P222-F280 HydrophobicContact CG-CD2 4.44Å; P222-F280 HydrophobicContact CG-CE1 4.38Å; P222-F280 HydrophobicContact CG-CG 4.13Å; V223-F280 HydrophobicContact CG2-CE1 3.96Å; V223-F280 HydrophobicContact CG2-CZ 3.68Å; I226-F280 HydrophobicContact CD1-CE2 3.83Å; I226-F280 HydrophobicContact CD1-CZ 4.23Å; G277-F280 WeakPolarHBondContact O-CD2 3.35Å; G277-F280 PolarHBondContact O-N 2.84Å; C278-F280 PolarHBondContact O-N 3.44Å
281F95.1Very high93.1Very high138 Ų13860.3 Ų60.361%0.60532%0.322SS*.G310 helixtrans-101.27.2177.3-53.4-71.3000112.8C278 K279 T299 L301C278-F281 PolarHBondContact O-N 2.93Å; C278-F281 VanDerWaalsContact O-N 3.1Å; K279-F281 PolarHBondContact O-N 3.32Å; K279-F281 VanDerWaalsContact O-N 3.14Å; F281-T299 WeakPolarHBondContact O-CB 3.45Å; F281-T299 WeakPolarHBondContact O-CG2 3.43Å; F281-T299 PolarHBondContact O-OG1 2.96Å; F281-L301 HydrophobicContact CB-CD2 4.03Å
282E94.1Very high92.6Very high9 Ų962.2 Ų62.24%0.04232%0.324CS..THydrogen-bonded Turntrans-75.8-42.3-178-172.8-179.7158.600111.9K279 L298 T299 F307K279-E282 IonicContact NZ-OE2 2.84Å; K279-E282 VanDerWaalsContact O-CB 3.28Å; K279-E282 WeakPolarHBondContact O-CB 3.29Å; K279-E282 PolarHBondContact O-N 3.31Å; E282-L298 HydrophobicContact CG-CD2 4.13Å; E282-T299 PolarHBondContact O-N 3Å; E282-T299 PolarHBondContact O-OG1 3.05Å; E282-F307 HydrophobicContact CB-CE1 4.22Å; E282-F307 HydrophobicContact CG-CE1 3.97Å
283Y95.1Very high92.2Very high35 Ų3561.9 Ų61.914%0.13732%0.323CS..EExtended strand (participates in β ladder)trans-117.1151.5-176.9-62.7-79.5000112.1L221 V296 L297 L298L221-Y283 HydrophobicContact CD2-CD2 4.28Å; L221-Y283 HydrophobicContact CD2-CE2 3.89Å; Y283-V296 HydrophobicContact CD1-CG1 3.68Å; Y283-V296 HydrophobicContact CG-CG1 3.98Å; Y283-L297 WeakPolarHBondContact CA-O 3.42Å; Y283-L298 HydrophobicContact CD1-CD2 3.94Å; Y283-L298 HydrophobicContact CD1-CG 4.38Å; Y283-L298 HydrophobicContact CE1-CD2 3.44Å; Y283-L298 VanDerWaalsContact CE1-CD2 3.44Å; Y283-L298 HydrophobicContact CE1-CG 4.01Å
284T95.3Very high92Very high64 Ų6458 Ų5839%0.39330%0.303SS..EExtended strand (participates in β ladder)trans-133.6151.7166.5-173.70000108.6V296 L297 T299T284-V296 WeakPolarHBondContact O-CA 3.44Å; T284-L297 HydrophobicContact CG2-CB 4.46Å; T284-L297 PolarHBondContact N-O 3.44Å; T284-L297 PolarHBondContact O-N 3.39Å; T284-L297 VanDerWaalsContact O-O 3.09Å; T284-T299 HydrophobicContact CG2-CG2 4.14Å
285Y93.5Very high91.6Very high86 Ų8654.8 Ų54.834%0.33727%0.274SS..EExtended strand (participates in β ladder)trans-98150170.267.9-96.2000110.7Y215 P218 Y219 V294 R295Y215-Y285 HydrophobicContact CD1-CD2 4.29Å; Y215-Y285 HydrophobicContact CD1-CE2 4.1Å; Y215-Y285 HydrophobicContact CE1-CD2 4.45Å; Y215-Y285 HydrophobicContact CE1-CE2 4.21Å; P218-Y285 HydrophobicContact CG-CD1 4.13Å; Y219-Y285 HydrophobicContact CE2-CE1 4.3Å; Y285-V294 HydrophobicContact CD2-CG1 3.91Å; Y285-R295 CarbonylContact C-O 3.56Å; Y285-R295 VanDerWaalsContact CA-O 3.27Å; Y285-R295 WeakPolarHBondContact CA-O 3.41Å
286V92.5Very high91.5Very high56 Ų5652.7 Ų52.734%0.33927%0.265SS..EExtended strand (participates in β ladder)trans-121.5123.6171.5177.90000108.1Y288 V294 R295 L297V286-Y288 HydrophobicContact CB-CE2 4.45Å; V286-Y288 HydrophobicContact CG1-CE2 4.08Å; V286-V294 VanDerWaalsContact O-CA 3.31Å; V286-V294 WeakPolarHBondContact O-CA 3.29Å; V286-R295 PolarHBondContact N-O 2.86Å; V286-R295 PolarHBondContact O-N 3.44Å; V286-L297 HydrophobicContact CB-CD1 4.35Å; V286-L297 HydrophobicContact CG2-CD1 3.58Å; V286-L297 HydrophobicContact CG2-CG 4.3Å
287E91.9Very high91.4Very high99 Ų9955.2 Ų55.246%0.46328%0.279SS..EExtended strand (participates in β ladder)trans-90.2136.5-178.4-170.1177.416900111.5P289 V294E287-P289 WeakPolarHBondContact O-CD 3.47Å; E287-V294 HydrophobicContact CB-CG1 4.13Å; E287-V294 HydrophobicContact CG-CG1 4.27Å
288Y89Confident91.3Very high50 Ų5055.5 Ų55.520%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-110.290.9172.6-65.3-92.4000108.1Y110 M111 I114 V286 D290 K291 K292 V293 R295Y110-Y288 HydrophobicContact CE1-CD1 4.15Å; Y110-Y288 HydrophobicContact CE1-CG 4.4Å; M111-Y288 HydrophobicContact CE-CD2 4.17Å; M111-Y288 HydrophobicContact SD-CD2 4.47Å; I114-Y288 HydrophobicContact CD1-CD1 4.44Å; I114-Y288 HydrophobicContact CD1-CE1 4.18Å; V286-Y288 HydrophobicContact CB-CE2 4.45Å; V286-Y288 HydrophobicContact CG1-CE2 4.08Å; Y288-D290 PolarHBondContact O-N 2.98Å; Y288-K291 PolarHBondContact O-N 3.47Å; Y288-K292 PolarHBondContact O-N 3.36Å; Y288-K292 VanDerWaalsContact O-N 3.12Å; Y288-V293 PolarHBondContact N-O 2.95Å; Y288-V293 PolarHBondContact O-N 3.35Å; Y288-R295 HydrophobicContact CE2-CB 4.22Å; Y288-R295 HydrophobicContact CE2-CG 4.4Å; Y288-R295 VanDerWaalsContact CE2-NE 3.3Å; Y288-R295 PolarHBondContact OH-NH2 2.98Å
289P85.6Confident91.3Very high93 Ų9354 Ų5460%0.60426%0.264SS*.G310 helixtrans-61.4-30.8-168.222.2-33.2000113E287 K291 K292E287-P289 WeakPolarHBondContact O-CD 3.47Å; P289-K291 PolarHBondContact O-N 2.95Å; P289-K291 VanDerWaalsContact O-N 3.1Å; P289-K292 PolarHBondContact O-N 3.34Å
290D84.7Confident91.3Very high113 Ų11362.5 Ų62.560%0.60430%0.304SS*.G310 helixtrans-55.2-31.1179.4-67.7-14.3000113.6Y288Y288-D290 PolarHBondContact O-N 2.98Å
291K81.9Confident91.1Very high38 Ų3862.8 Ų62.817%0.16531%0.308CS..G310 helixtrans-123.13.6-175.5-64.7-69.3177.6165.60112.7S102 S103 L105 V107 Y110 Y288 P289 V293S102-K291 WeakPolarHBondContact O-CE 3.19Å; S102-K291 PolarHBondContact O-NZ 2.56Å; S103-K291 PolarHBondContact O-NZ 3.4Å; L105-K291 PolarHBondContact O-NZ 3.47Å; V107-K291 HydrophobicContact CG2-CB 4.45Å; V107-K291 HydrophobicContact CG2-CD 4.44Å; Y110-K291 HydrophobicContact CD1-CG 4.37Å; Y288-K291 PolarHBondContact O-N 3.47Å; P289-K291 PolarHBondContact O-N 2.95Å; P289-K291 VanDerWaalsContact O-N 3.1Å; K291-V293 VanDerWaalsContact C-N 3.28Å; K291-V293 HydrophobicContact CB-CG2 3.67Å; K291-V293 PolarHBondContact O-N 3.36Å
292K87.6Confident90.8Very high161 Ų16156.2 Ų56.270%0.728%0.279SS*.THydrogen-bonded Turntrans5144.5-176.8-62.1-176.3176.2-178.40113.3Y288 P289Y288-K292 PolarHBondContact O-N 3.36Å; Y288-K292 VanDerWaalsContact O-N 3.12Å; P289-K292 PolarHBondContact O-N 3.34Å
293V88.3Confident90.6Very high0 Ų062 Ų620%030%0.304CS..EExtended strand (participates in β ladder)trans-129.4150.7-177.6-74.40000111.4V107 M111 G210 Q211 Y288 K291V107-V293 HydrophobicContact CG1-CB 4.39Å; V107-V293 HydrophobicContact CG1-CG1 3.53Å; V107-V293 HydrophobicContact CG1-CG2 4.25Å; M111-V293 HydrophobicContact CE-CB 3.54Å; M111-V293 HydrophobicContact CE-CG2 3.22Å; M111-V293 HydrophobicContact SD-CG2 4.28Å; G210-V293 CarbonylContact O-C 3.47Å; G210-V293 VanDerWaalsContact O-CA 3.27Å; G210-V293 WeakPolarHBondContact O-CA 3.42Å; Q211-V293 HydrophobicContact CG-CG1 3.84Å; Y288-V293 PolarHBondContact N-O 2.95Å; Y288-V293 PolarHBondContact O-N 3.35Å; K291-V293 VanDerWaalsContact C-N 3.28Å; K291-V293 HydrophobicContact CB-CG2 3.67Å; K291-V293 PolarHBondContact O-N 3.36Å
294V91.7Very high90.5Very high0 Ų063.2 Ų63.20%032%0.315CS..EExtended strand (participates in β ladder)trans-114.3155177.2-68.90000112.2G210 Y215 Y285 V286 E287G210-V294 VanDerWaalsContact O-CG2 3.24Å; G210-V294 WeakPolarHBondContact O-CG2 3.28Å; G210-V294 PolarHBondContact O-N 2.89Å; Y215-V294 HydrophobicContact CD1-CG1 3.79Å; Y215-V294 HydrophobicContact CD2-CG1 4.16Å; Y215-V294 HydrophobicContact CD2-CG2 3.81Å; Y215-V294 HydrophobicContact CE1-CG1 3.28Å; Y215-V294 HydrophobicContact CE2-CB 4.43Å; Y215-V294 HydrophobicContact CE2-CG1 3.69Å; Y215-V294 HydrophobicContact CE2-CG2 3.9Å; Y215-V294 HydrophobicContact CG-CG1 4.2Å; Y215-V294 HydrophobicContact CG-CG2 4.14Å; Y285-V294 HydrophobicContact CD2-CG1 3.91Å; V286-V294 VanDerWaalsContact O-CA 3.31Å; V286-V294 WeakPolarHBondContact O-CA 3.29Å; E287-V294 HydrophobicContact CB-CG1 4.13Å; E287-V294 HydrophobicContact CG-CG1 4.27Å
295R89.6Confident90.3Very high11 Ų1166.9 Ų66.94%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-122144.2162-82.5-176.5-84.4-169.1-11.3110.8M111 I114 Y122 D123 Y285 V286 Y288M111-R295 HydrophobicContact CE-CG 3.8Å; M111-R295 HydrophobicContact SD-CG 4.1Å; M111-R295 VanDerWaalsContact SD-CZ 3.59Å; M111-R295 PolarHBondContact SD-NE 3.4Å; I114-R295 VanDerWaalsContact CB-NH1 3.29Å; Y122-R295 HydrophobicContact CD1-CG 4.31Å; Y122-R295 HydrophobicContact CE1-CG 3.82Å; Y122-R295 WeakPolarHBondContact O-CD 3.32Å; D123-R295 HydrophobicContact CB-CB 4.07Å; D123-R295 HydrophobicContact CB-CG 4.08Å; Y285-R295 CarbonylContact C-O 3.56Å; Y285-R295 VanDerWaalsContact CA-O 3.27Å; Y285-R295 WeakPolarHBondContact CA-O 3.41Å; V286-R295 PolarHBondContact N-O 2.86Å; V286-R295 PolarHBondContact O-N 3.44Å; Y288-R295 HydrophobicContact CE2-CB 4.22Å; Y288-R295 HydrophobicContact CE2-CG 4.4Å; Y288-R295 VanDerWaalsContact CE2-NE 3.3Å; Y288-R295 PolarHBondContact OH-NH2 2.98Å
296V92.8Very high90.2Very high0 Ų069.5 Ų69.50%035%0.345CS..EExtended strand (participates in β ladder)trans-96.9119178-176.90000108.5D123 D124 Y209 G214 I217 Y283 T284D123-V296 VanDerWaalsContact CB-O 3.27Å; D123-V296 WeakPolarHBondContact CB-O 3.27Å; D123-V296 WeakPolarHBondContact OD2-CB 3.4Å; D123-V296 PolarHBondContact OD2-N 2.93Å; D124-V296 PolarHBondContact N-O 3.5Å; D124-V296 VanDerWaalsContact N-O 3.17Å; Y209-V296 WeakPolarHBondContact OH-CG2 3.47Å; G214-V296 WeakPolarHBondContact O-CG2 3.37Å; I217-V296 HydrophobicContact CB-CG1 4.29Å; I217-V296 HydrophobicContact CB-CG2 3.91Å; I217-V296 HydrophobicContact CG1-CG2 4.02Å; I217-V296 HydrophobicContact CG2-CG1 3.88Å; I217-V296 HydrophobicContact CG2-CG2 4.33Å; Y283-V296 HydrophobicContact CD1-CG1 3.68Å; Y283-V296 HydrophobicContact CG-CG1 3.98Å; T284-V296 WeakPolarHBondContact O-CA 3.44Å
297L92.2Very high90.2Very high54 Ų5467.9 Ų67.928%0.28333%0.333SS..EExtended strand (participates in β ladder)trans-115.2147.6179.5-59.1178.5000109.5D124 Y283 T284 V286D124-L297 WeakPolarHBondContact OD2-CA 3.39Å; Y283-L297 WeakPolarHBondContact CA-O 3.42Å; T284-L297 HydrophobicContact CG2-CB 4.46Å; T284-L297 PolarHBondContact N-O 3.44Å; T284-L297 PolarHBondContact O-N 3.39Å; T284-L297 VanDerWaalsContact O-O 3.09Å; V286-L297 HydrophobicContact CB-CD1 4.35Å; V286-L297 HydrophobicContact CG2-CD1 3.58Å; V286-L297 HydrophobicContact CG2-CG 4.3Å
298L92.5Very high90.1Very high28 Ų2869.2 Ų69.215%0.14733%0.334CS..EExtended strand (participates in β ladder)trans-65.9136.4169.4-73.2161.7000109.7D124 E282 Y283 K303D124-L298 HydrophobicContact CB-CD1 4.05Å; D124-L298 HydrophobicContact CB-CG 3.88Å; D124-L298 PolarHBondContact OD2-N 3.39Å; E282-L298 HydrophobicContact CG-CD2 4.13Å; Y283-L298 HydrophobicContact CD1-CD2 3.94Å; Y283-L298 HydrophobicContact CD1-CG 4.38Å; Y283-L298 HydrophobicContact CE1-CD2 3.44Å; Y283-L298 VanDerWaalsContact CE1-CD2 3.44Å; Y283-L298 HydrophobicContact CE1-CG 4.01Å; L298-K303 HydrophobicContact CB-CD 4.48Å; L298-K303 HydrophobicContact CB-CG 3.62Å; L298-K303 HydrophobicContact CD1-CG 4.46Å; L298-K303 VanDerWaalsContact O-CE 3.27Å; L298-K303 WeakPolarHBondContact O-CE 3.37Å
299T94.1Very high90.2Very high30 Ų3070.5 Ų70.518%0.18434%0.344CS..  trans-70.4172.9171.769.70000110.7F281 E282 T284 L301 G302 K303F281-T299 WeakPolarHBondContact O-CB 3.45Å; F281-T299 WeakPolarHBondContact O-CG2 3.43Å; F281-T299 PolarHBondContact O-OG1 2.96Å; E282-T299 PolarHBondContact O-N 3Å; E282-T299 PolarHBondContact O-OG1 3.05Å; T284-T299 HydrophobicContact CG2-CG2 4.14Å; T299-L301 PolarHBondContact O-N 2.67Å; T299-L301 PolarHBondContact OG1-N 3.43Å; T299-G302 PolarHBondContact O-N 2.83Å; T299-G302 PolarHBondContact OG1-N 2.98Å; T299-G302 VanDerWaalsContact OG1-N 3.1Å; T299-K303 WeakPolarHBondContact O-CG 3.44Å; T299-K303 PolarHBondContact O-N 3.27Å
300Q93.4Very high90.5Very high182 Ų18269.2 Ų69.285%0.8533%0.332SS*.THydrogen-bonded Turntrans-55-36.8172-68.5-177.7-4.600112.1T304Q300-T304 WeakPolarHBondContact O-CG2 3.36Å
301L91.7Very high90.8Very high72 Ų7264.4 Ų64.438%0.37731%0.306SS..THydrogen-bonded Turntrans-68.8-48.9176.2-175.866.9000111.1F281 T299 K303 T304 F307F281-L301 HydrophobicContact CB-CD2 4.03Å; T299-L301 PolarHBondContact O-N 2.67Å; T299-L301 PolarHBondContact OG1-N 3.43Å; L301-K303 PolarHBondContact O-N 3.05Å; L301-T304 PolarHBondContact O-N 2.73Å; L301-T304 PolarHBondContact O-OG1 2.83Å; L301-F307 HydrophobicContact CD1-CB 4.36Å; L301-F307 HydrophobicContact CD1-CD2 3.98Å; L301-F307 HydrophobicContact CD1-CG 4.27Å; L301-F307 HydrophobicContact CD2-CD2 4.12Å; L301-F307 HydrophobicContact CD2-CE2 3.93Å; L301-F307 HydrophobicContact CD2-CZ 4.39Å; L301-F307 HydrophobicContact CG-CD2 3.85Å; L301-F307 HydrophobicContact CG-CE2 4.12Å; L301-F307 HydrophobicContact CG-CG 4.05Å
302G90Very high91Very high0 Ų064.3 Ų64.30%031%0.307CS..THydrogen-bonded Turntrans-61.5-27.8179.500000113.8T299 T304 R308T299-G302 PolarHBondContact O-N 2.83Å; T299-G302 PolarHBondContact OG1-N 2.98Å; T299-G302 VanDerWaalsContact OG1-N 3.1Å; G302-T304 VanDerWaalsContact C-N 3.34Å; G302-R308 VanDerWaalsContact O-CD 3.3Å; G302-R308 WeakPolarHBondContact O-CD 3.24Å; G302-R308 WeakPolarHBondContact O-CG 3.48Å
303K89.9Confident90.9Very high130 Ų13059.4 Ų59.457%0.56529%0.289SS*.THydrogen-bonded Turntrans-76.7-16175.3-70.5-176-177.9-171.60114.2L298 T299 L301 E305L298-K303 HydrophobicContact CB-CD 4.48Å; L298-K303 HydrophobicContact CB-CG 3.62Å; L298-K303 HydrophobicContact CD1-CG 4.46Å; L298-K303 VanDerWaalsContact O-CE 3.27Å; L298-K303 WeakPolarHBondContact O-CE 3.37Å; T299-K303 WeakPolarHBondContact O-CG 3.44Å; T299-K303 PolarHBondContact O-N 3.27Å; L301-K303 PolarHBondContact O-N 3.05Å; K303-E305 PolarHBondContact O-N 3.44Å
304T93.3Very high91Very high61 Ų6168.9 Ų68.937%0.37433%0.325SS..  trans-73.6123.4178.561.10000110.6Q300 L301 G302 M306 F307 R308Q300-T304 WeakPolarHBondContact O-CG2 3.36Å; L301-T304 PolarHBondContact O-N 2.73Å; L301-T304 PolarHBondContact O-OG1 2.83Å; G302-T304 VanDerWaalsContact C-N 3.34Å; T304-M306 PolarHBondContact O-N 3.42Å; T304-F307 PolarHBondContact O-N 3.21Å; T304-F307 VanDerWaalsContact O-N 3.11Å; T304-F307 WeakPolarHBondContact OG1-CB 3.35Å; T304-R308 PolarHBondContact O-N 2.91Å
305E90.2Very high91Very high141 Ų14171.5 Ų71.566%0.65934%0.338SS*.Hα-helixtrans-55.6-40.5176.1-66.4179.5170.500111.2K303 F307 R308 D309K303-E305 PolarHBondContact O-N 3.44Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 3.18Å; E305-R308 PolarHBondContact O-N 3.07Å; E305-D309 WeakPolarHBondContact O-CB 3.44Å; E305-D309 PolarHBondContact O-N 2.73Å
306M92.2Very high91.2Very high140 Ų14073.1 Ų73.169%0.6935%0.345SS*.Hα-helixtrans-57.2-43176.8-174.3-178.4-178.400113T304 I310T304-M306 PolarHBondContact O-N 3.42Å; M306-I310 HydrophobicContact CE-CD1 3.8Å; M306-I310 HydrophobicContact CG-CD1 3.8Å; M306-I310 WeakPolarHBondContact O-CB 3.5Å; M306-I310 WeakPolarHBondContact O-CD1 3.48Å; M306-I310 WeakPolarHBondContact O-CG1 3.26Å; M306-I310 PolarHBondContact O-N 2.93Å
307F92.5Very high91.1Very high23 Ų2374.9 Ų74.910%0.10136%0.356CS..Hα-helixtrans-65.7-46.5178173.8-98000111.1C278 E282 L301 T304 E305 I310 M311C278-F307 HydrophobicContact CB-CE2 4.16Å; E282-F307 HydrophobicContact CB-CE1 4.22Å; E282-F307 HydrophobicContact CG-CE1 3.97Å; L301-F307 HydrophobicContact CD1-CB 4.36Å; L301-F307 HydrophobicContact CD1-CD2 3.98Å; L301-F307 HydrophobicContact CD1-CG 4.27Å; L301-F307 HydrophobicContact CD2-CD2 4.12Å; L301-F307 HydrophobicContact CD2-CE2 3.93Å; L301-F307 HydrophobicContact CD2-CZ 4.39Å; L301-F307 HydrophobicContact CG-CD2 3.85Å; L301-F307 HydrophobicContact CG-CE2 4.12Å; L301-F307 HydrophobicContact CG-CG 4.05Å; T304-F307 PolarHBondContact O-N 3.21Å; T304-F307 VanDerWaalsContact O-N 3.11Å; T304-F307 WeakPolarHBondContact OG1-CB 3.35Å; E305-F307 VanDerWaalsContact C-N 3.34Å; E305-F307 PolarHBondContact O-N 3.18Å; F307-I310 PolarHBondContact O-N 2.95Å; F307-M311 HydrophobicContact CD1-CG 4.47Å; F307-M311 HydrophobicContact CD2-CG 3.94Å; F307-M311 HydrophobicContact CE1-CG 4.15Å; F307-M311 HydrophobicContact CE2-CG 3.58Å; F307-M311 HydrophobicContact CE2-SD 4.39Å; F307-M311 HydrophobicContact CG-CG 4.38Å; F307-M311 HydrophobicContact CZ-CG 3.7Å; F307-M311 WeakPolarHBondContact O-CB 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.22Å; F307-M311 PolarHBondContact O-N 3.37Å
308R89.6Confident91.1Very high127 Ų12774.5 Ų74.548%0.47936%0.357SS..Hα-helixtrans-63.1-45179.7-67.8179.764.1-167.70.1111.5G302 T304 E305 I310 M311 D312G302-R308 VanDerWaalsContact O-CD 3.3Å; G302-R308 WeakPolarHBondContact O-CD 3.24Å; G302-R308 WeakPolarHBondContact O-CG 3.48Å; T304-R308 PolarHBondContact O-N 2.91Å; E305-R308 PolarHBondContact O-N 3.07Å; R308-I310 PolarHBondContact O-N 3.46Å; R308-M311 PolarHBondContact O-N 3.5Å; R308-D312 WeakPolarHBondContact O-CA 3.48Å; R308-D312 VanDerWaalsContact O-CB 3.27Å; R308-D312 WeakPolarHBondContact O-CB 3.07Å; R308-D312 PolarHBondContact O-N 3.48Å
309D89.7Confident91.1Very high76 Ų7676.1 Ų76.141%0.40637%0.366SS..Iπ-helixtrans-62.3-45.9177.3-77.2-22.1000111.6E305 N313 W314E305-D309 WeakPolarHBondContact O-CB 3.44Å; E305-D309 PolarHBondContact O-N 2.73Å; D309-N313 WeakPolarHBondContact O-CA 3.43Å; D309-N313 VanDerWaalsContact O-CB 3.29Å; D309-N313 WeakPolarHBondContact O-CB 3.34Å; D309-N313 PolarHBondContact O-N 3.43Å; D309-N313 VanDerWaalsContact O-N 3.09Å; D309-N313 PolarHBondContact OD1-ND2 3.21Å; D309-W314 PolarHBondContact O-N 3.28Å
310I92.8Very high91.1Very high67 Ų6775.9 Ų75.934%0.34436%0.362SS..Iπ-helixtrans-64.2-50.2179.7-70.6170.7000110.6M306 F307 R308 W314 L315M306-I310 HydrophobicContact CE-CD1 3.8Å; M306-I310 HydrophobicContact CG-CD1 3.8Å; M306-I310 WeakPolarHBondContact O-CB 3.5Å; M306-I310 WeakPolarHBondContact O-CD1 3.48Å; M306-I310 WeakPolarHBondContact O-CG1 3.26Å; M306-I310 PolarHBondContact O-N 2.93Å; F307-I310 PolarHBondContact O-N 2.95Å; R308-I310 PolarHBondContact O-N 3.46Å; I310-W314 PolarHBondContact O-N 3.35Å; I310-L315 HydrophobicContact CG2-CD1 3.63Å; I310-L315 HydrophobicContact CG2-CG 4.13Å; I310-L315 WeakPolarHBondContact O-CB 3.45Å; I310-L315 WeakPolarHBondContact O-CG 3.32Å; I310-L315 PolarHBondContact O-N 2.92Å
311M91Very high91Very high12 Ų1267.4 Ų67.46%0.05932%0.323CS..Iπ-helixtrans-72.9-49.6-174.6-69.5-58.7-60.100112.4K279 F307 R308 L315 K316K279-M311 HydrophobicContact CD-CE 4.34Å; K279-M311 HydrophobicContact CG-CE 3.85Å; F307-M311 HydrophobicContact CD1-CG 4.47Å; F307-M311 HydrophobicContact CD2-CG 3.94Å; F307-M311 HydrophobicContact CE1-CG 4.15Å; F307-M311 HydrophobicContact CE2-CG 3.58Å; F307-M311 HydrophobicContact CE2-SD 4.39Å; F307-M311 HydrophobicContact CG-CG 4.38Å; F307-M311 HydrophobicContact CZ-CG 3.7Å; F307-M311 WeakPolarHBondContact O-CB 3.26Å; F307-M311 WeakPolarHBondContact O-CG 3.22Å; F307-M311 PolarHBondContact O-N 3.37Å; R308-M311 PolarHBondContact O-N 3.5Å; M311-L315 HydrophobicContact SD-CD1 3.8Å; M311-K316 WeakPolarHBondContact O-CB 3.3Å; M311-K316 PolarHBondContact O-N 3.22Å; M311-K316 VanDerWaalsContact O-N 3.13Å
312D86Confident91.1Very high36 Ų3668.9 Ų68.919%0.19333%0.326CS..Iπ-helixtrans-87.8-25.2-170.8-65.9-34.2000113.7K279 R308 K316K279-D312 IonicContact NZ-OD1 2.69Å; K279-D312 PolarHBondContact NZ-OD1 2.99Å; R308-D312 WeakPolarHBondContact O-CA 3.48Å; R308-D312 VanDerWaalsContact O-CB 3.27Å; R308-D312 WeakPolarHBondContact O-CB 3.07Å; R308-D312 PolarHBondContact O-N 3.48Å; D312-K316 WeakPolarHBondContact O-CB 3.19Å
313N85.9Confident91.4Very high58 Ų5872.7 Ų72.731%0.3135%0.346SS..Iπ-helixtrans-107.1-59.6178.4-60.6-42.7000111.8D309 L315 V317D309-N313 WeakPolarHBondContact O-CA 3.43Å; D309-N313 VanDerWaalsContact O-CB 3.29Å; D309-N313 WeakPolarHBondContact O-CB 3.34Å; D309-N313 PolarHBondContact O-N 3.43Å; D309-N313 VanDerWaalsContact O-N 3.09Å; D309-N313 PolarHBondContact OD1-ND2 3.21Å; N313-L315 PolarHBondContact O-N 3Å; N313-V317 VanDerWaalsContact O-CB 3.32Å; N313-V317 WeakPolarHBondContact O-CB 3.46Å; N313-V317 VanDerWaalsContact O-CG2 3.24Å; N313-V317 WeakPolarHBondContact O-CG2 3Å
314W90.6Very high91.7Very high199 Ų19966.5 Ų66.575%0.75432%0.319SS*.Iπ-helixtrans-73.7-31.1-169.6-75.391.9000114.8D309 I310 P318D309-W314 PolarHBondContact O-N 3.28Å; I310-W314 PolarHBondContact O-N 3.35Å; W314-P318 WeakPolarHBondContact O-CD 3.42Å; W314-P318 WeakPolarHBondContact O-CG 3.3Å
315L92Very high91.8Very high54 Ų5464.6 Ų64.628%0.28331%0.305SS..Iπ-helixtrans-101-50.5-177.7-71.9172.7000111.9Y275 I310 M311 N313 V317 P318 L319Y275-L315 HydrophobicContact CE2-CB 3.82Å; Y275-L315 HydrophobicContact CE2-CD1 4.06Å; Y275-L315 HydrophobicContact CE2-CD2 4.31Å; Y275-L315 HydrophobicContact CE2-CG 4.29Å; Y275-L315 WeakPolarHBondContact OH-CB 3.39Å; I310-L315 HydrophobicContact CG2-CD1 3.63Å; I310-L315 HydrophobicContact CG2-CG 4.13Å; I310-L315 WeakPolarHBondContact O-CB 3.45Å; I310-L315 WeakPolarHBondContact O-CG 3.32Å; I310-L315 PolarHBondContact O-N 2.92Å; M311-L315 HydrophobicContact SD-CD1 3.8Å; N313-L315 PolarHBondContact O-N 3Å; L315-V317 PolarHBondContact O-N 3.01Å; L315-P318 WeakPolarHBondContact O-CD 3.47Å; L315-P318 WeakPolarHBondContact O-CG 3.39Å; L315-L319 HydrophobicContact CB-CD1 4.5Å; L315-L319 HydrophobicContact CD2-CD1 3.83Å; L315-L319 VanDerWaalsContact O-CB 3.27Å; L315-L319 WeakPolarHBondContact O-CB 3.2Å; L315-L319 PolarHBondContact O-N 2.86Å
316K91.8Very high92Very high45 Ų4561.8 Ų61.820%0.19630%0.295CS..Iπ-helixtrans-57.8-46.8-178.2174.1175.9-168-177.10113.1Y275 M311 D312 E320 M321Y275-K316 PolarHBondContact OH-N 2.91Å; M311-K316 WeakPolarHBondContact O-CB 3.3Å; M311-K316 PolarHBondContact O-N 3.22Å; M311-K316 VanDerWaalsContact O-N 3.13Å; D312-K316 WeakPolarHBondContact O-CB 3.19Å; K316-E320 HydrophobicContact CG-CB 4.42Å; K316-E320 HydrophobicContact CG-CG 4.42Å; K316-E320 WeakPolarHBondContact O-CA 3.25Å; K316-E320 WeakPolarHBondContact O-CB 3.48Å; K316-E320 PolarHBondContact O-N 3.26Å; K316-M321 HydrophobicContact CD-CE 4.39Å; K316-M321 HydrophobicContact CG-CE 4.11Å; K316-M321 PolarHBondContact O-N 3.43Å
317V91.1Very high92.3Very high38 Ų3856.5 Ų56.523%0.2327%0.273CS..Iπ-helixtrans-60.9-56.4-178.3-179.80000112N313 L315 M321 F322 F473 H476N313-V317 VanDerWaalsContact O-CB 3.32Å; N313-V317 WeakPolarHBondContact O-CB 3.46Å; N313-V317 VanDerWaalsContact O-CG2 3.24Å; N313-V317 WeakPolarHBondContact O-CG2 3Å; L315-V317 PolarHBondContact O-N 3.01Å; V317-M321 PolarHBondContact O-N 2.84Å; V317-F322 WeakPolarHBondContact O-CB 3.13Å; V317-F322 PolarHBondContact O-N 3.42Å; V317-F473 HydrophobicContact CG1-CE2 4.21Å; V317-H476 VanDerWaalsContact CG2-NE2 3.26Å; V317-H476 WeakPolarHBondContact CG2-NE2 3.39Å
318P93Very high92.5Very high46 Ų4655.4 Ų55.430%0.29927%0.268SS..Iπ-helixtrans-70.2-45-179.324.6-32.7000113.4W314 L315 L323W314-P318 WeakPolarHBondContact O-CD 3.42Å; W314-P318 WeakPolarHBondContact O-CG 3.3Å; L315-P318 WeakPolarHBondContact O-CD 3.47Å; L315-P318 WeakPolarHBondContact O-CG 3.39Å; P318-L323 WeakPolarHBondContact O-CB 3.24Å; P318-L323 WeakPolarHBondContact O-CG 3.39Å; P318-L323 PolarHBondContact O-N 2.97Å
319L93.2Very high92.8Very high62 Ų6250.4 Ų50.433%0.32526%0.256SS..Iπ-helixtrans-86.1-36.2-168.8-65.4171.5000113.8W233 Y275 L315 L323 P324W233-L319 PolarHBondContact NE1-O 3.02Å; Y275-L319 HydrophobicContact CD2-CD1 4.29Å; Y275-L319 HydrophobicContact CE2-CD1 3.78Å; L315-L319 HydrophobicContact CB-CD1 4.5Å; L315-L319 HydrophobicContact CD2-CD1 3.83Å; L315-L319 VanDerWaalsContact O-CB 3.27Å; L315-L319 WeakPolarHBondContact O-CB 3.2Å; L315-L319 PolarHBondContact O-N 2.86Å; L319-L323 HydrophobicContact CD2-CD1 4.15Å; L319-P324 WeakPolarHBondContact O-CD 3.44Å
320E93.2Very high93.2Very high24 Ų2451.7 Ų51.711%0.11226%0.262CS..Iπ-helixtrans-93.6-28.4-176.6-52.8178.7-157.700112.3L229 Y275 K316 P324L229-E320 HydrophobicContact CD1-CB 4.04Å; L229-E320 HydrophobicContact CD1-CG 3.8Å; L229-E320 HydrophobicContact CD2-CG 4.42Å; Y275-E320 HydrophobicContact CE1-CG 3.97Å; Y275-E320 VanDerWaalsContact CE1-OE1 3.25Å; Y275-E320 WeakPolarHBondContact CE1-OE1 3.03Å; Y275-E320 PolarHBondContact OH-OE1 2.78Å; K316-E320 HydrophobicContact CG-CB 4.42Å; K316-E320 HydrophobicContact CG-CG 4.42Å; K316-E320 WeakPolarHBondContact O-CA 3.25Å; K316-E320 WeakPolarHBondContact O-CB 3.48Å; K316-E320 PolarHBondContact O-N 3.26Å; E320-P324 VanDerWaalsContact O-CG 3.29Å; E320-P324 WeakPolarHBondContact O-CG 3.48Å
321M92.3Very high93.4Very high5 Ų549.6 Ų49.63%0.02525%0.252CS..Iπ-helixtrans-113.5-68.6-175.8-53.1-169.6-172.500112.7K316 V317 P324 Y325 F473 H476K316-M321 HydrophobicContact CD-CE 4.39Å; K316-M321 HydrophobicContact CG-CE 4.11Å; K316-M321 PolarHBondContact O-N 3.43Å; V317-M321 PolarHBondContact O-N 2.84Å; M321-P324 WeakPolarHBondContact O-CD 3.49Å; M321-P324 WeakPolarHBondContact O-CG 3.48Å; M321-Y325 HydrophobicContact CB-CD2 4.31Å; M321-Y325 HydrophobicContact CB-CE2 3.7Å; M321-Y325 HydrophobicContact CG-CE2 4.27Å; M321-Y325 WeakPolarHBondContact O-CB 3.43Å; M321-Y325 WeakPolarHBondContact O-CD1 3.31Å; M321-Y325 WeakPolarHBondContact O-CD2 3.36Å; M321-Y325 WeakPolarHBondContact O-CE2 3.44Å; M321-Y325 PolarHBondContact O-N 3.17Å; M321-F473 HydrophobicContact CB-CD2 3.69Å; M321-F473 HydrophobicContact CB-CE2 4.4Å; M321-F473 HydrophobicContact SD-CB 4.42Å; M321-F473 HydrophobicContact SD-CD2 4.06Å; M321-H476 HydrophobicContact CE-CB 4.29Å; M321-H476 HydrophobicContact SD-CB 4.15Å
322F93.6Very high93.6Very high103 Ų10349.6 Ų49.645%0.45225%0.252SS..Iπ-helixtrans-65.1-55.7-165.5-178.8-104.9000113.6V317 Y325 L326 F473V317-F322 WeakPolarHBondContact O-CB 3.13Å; V317-F322 PolarHBondContact O-N 3.42Å; F322-Y325 PolarHBondContact O-N 3.13Å; F322-L326 HydrophobicContact CE1-CD2 4.21Å; F322-L326 HydrophobicContact CZ-CD2 4.27Å; F322-L326 VanDerWaalsContact O-CB 3.26Å; F322-L326 WeakPolarHBondContact O-CB 3.4Å; F322-L326 PolarHBondContact O-N 3.21Å; F322-F473 HydrophobicContact CB-CE2 4.39Å; F322-F473 HydrophobicContact CD2-CZ 4.13Å
323L95.9Very high94Very high79 Ų7952.3 Ų52.341%0.41427%0.27SS..Hα-helixtrans-61-49.8-178.4-71.4173.6000113.4P318 L319 Y325 L326 A327P318-L323 WeakPolarHBondContact O-CB 3.24Å; P318-L323 WeakPolarHBondContact O-CG 3.39Å; P318-L323 PolarHBondContact O-N 2.97Å; L319-L323 HydrophobicContact CD2-CD1 4.15Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 2.81Å; L323-L326 PolarHBondContact O-N 3.27Å; L323-A327 VanDerWaalsContact O-CB 3.26Å; L323-A327 WeakPolarHBondContact O-CB 3.5Å; L323-A327 PolarHBondContact O-N 2.92Å
324P95.3Very high94.5Very high0 Ų052.1 Ų52.10%027%0.271CS..Hα-helixtrans-66.1-35.3-179.322.4-31.9000112.5V232 V236 L319 E320 M321 C328V232-P324 HydrophobicContact CG1-CB 3.34Å; V232-P324 HydrophobicContact CG1-CG 3.8Å; V236-P324 HydrophobicContact CG2-CB 4.25Å; L319-P324 WeakPolarHBondContact O-CD 3.44Å; E320-P324 VanDerWaalsContact O-CG 3.29Å; E320-P324 WeakPolarHBondContact O-CG 3.48Å; M321-P324 WeakPolarHBondContact O-CD 3.49Å; M321-P324 WeakPolarHBondContact O-CG 3.48Å; P324-C328 WeakPolarHBondContact O-CB 3.42Å; P324-C328 PolarHBondContact O-N 3.37Å
325Y95.3Very high94.6Very high21 Ų2142.7 Ų42.78%0.08224%0.235CC..Hα-helixtrans-72.9-39.3179.6-56-13.4000111.3V232 M321 F322 L323 C328 G329 L465 K469 F473V232-Y325 HydrophobicContact CG1-CE1 4.2Å; M321-Y325 HydrophobicContact CB-CD2 4.31Å; M321-Y325 HydrophobicContact CB-CE2 3.7Å; M321-Y325 HydrophobicContact CG-CE2 4.27Å; M321-Y325 WeakPolarHBondContact O-CB 3.43Å; M321-Y325 WeakPolarHBondContact O-CD1 3.31Å; M321-Y325 WeakPolarHBondContact O-CD2 3.36Å; M321-Y325 WeakPolarHBondContact O-CE2 3.44Å; M321-Y325 PolarHBondContact O-N 3.17Å; F322-Y325 PolarHBondContact O-N 3.13Å; L323-Y325 VanDerWaalsContact C-N 3.33Å; L323-Y325 PolarHBondContact O-N 2.81Å; Y325-C328 PolarHBondContact O-N 2.86Å; Y325-G329 PolarHBondContact O-N 3.02Å; Y325-L465 HydrophobicContact CD1-CD2 3.69Å; Y325-L465 HydrophobicContact CE1-CD2 3.95Å; Y325-K469 HydrophobicContact CD1-CB 4.33Å; Y325-K469 HydrophobicContact CE1-CB 3.66Å; Y325-K469 HydrophobicContact CE1-CG 4.1Å; Y325-K469 HydrophobicContact CE2-CB 3.87Å; Y325-K469 VanDerWaalsContact CZ-CB 3.43Å; Y325-F473 HydrophobicContact CD2-CB 4.2Å; Y325-F473 HydrophobicContact CE2-CB 3.98Å
326L96.1Very high94.5Very high83 Ų8343 Ų4344%0.43524%0.239SC..Hα-helixtrans-61.4-48.7172.1-178.764.8000111.1F322 L323 C328 G329 L330F322-L326 HydrophobicContact CE1-CD2 4.21Å; F322-L326 HydrophobicContact CZ-CD2 4.27Å; F322-L326 VanDerWaalsContact O-CB 3.26Å; F322-L326 WeakPolarHBondContact O-CB 3.4Å; F322-L326 PolarHBondContact O-N 3.21Å; L323-L326 PolarHBondContact O-N 3.27Å; L326-C328 PolarHBondContact O-N 3.04Å; L326-G329 PolarHBondContact O-N 3.48Å; L326-L330 HydrophobicContact CD1-CD1 4.2Å; L326-L330 HydrophobicContact CD1-CG 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.1Å; L326-L330 WeakPolarHBondContact O-CB 3.25Å; L326-L330 WeakPolarHBondContact O-CG 3.41Å; L326-L330 PolarHBondContact O-N 3.3Å
327A97Very high94.5Very high29 Ų2945.8 Ų45.824%0.2426%0.256CS..Hα-helixtrans-59.9-46.2177.200000111.3V236 L323 G329 L330 L331V236-A327 HydrophobicContact CG1-CB 4.07Å; V236-A327 HydrophobicContact CG2-CB 4.49Å; L323-A327 VanDerWaalsContact O-CB 3.26Å; L323-A327 WeakPolarHBondContact O-CB 3.5Å; L323-A327 PolarHBondContact O-N 2.92Å; A327-G329 PolarHBondContact O-N 3.45Å; A327-L330 PolarHBondContact O-N 3.15Å; A327-L331 VanDerWaalsContact O-CB 3.24Å; A327-L331 WeakPolarHBondContact O-CB 3.16Å; A327-L331 WeakPolarHBondContact O-CD1 3.48Å; A327-L331 WeakPolarHBondContact O-CG 3.08Å; A327-L331 PolarHBondContact O-N 3.29Å
328C96.8Very high94.3Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-58.9-48.5177.2-171.30000111.4L239 P324 Y325 L326 L331 I332 L466L239-C328 HydrophobicContact CD1-CB 4.41Å; L239-C328 VanDerWaalsContact CD1-SG 3.57Å; P324-C328 WeakPolarHBondContact O-CB 3.42Å; P324-C328 PolarHBondContact O-N 3.37Å; Y325-C328 PolarHBondContact O-N 2.86Å; L326-C328 PolarHBondContact O-N 3.04Å; C328-L331 PolarHBondContact O-N 3.26Å; C328-I332 WeakPolarHBondContact O-CB 3.06Å; C328-I332 WeakPolarHBondContact O-CD1 3.3Å; C328-I332 WeakPolarHBondContact O-CG1 3.41Å; C328-I332 PolarHBondContact O-N 2.85Å; C328-L466 HydrophobicContact CB-CD2 4.12Å
329G96.4Very high93.9Very high21 Ų2146.1 Ų46.122%0.21625%0.25CC..Hα-helixtrans-58.2-50.9176.600000112.9Y325 L326 A327 L331 I332 T333Y325-G329 PolarHBondContact O-N 3.02Å; L326-G329 PolarHBondContact O-N 3.48Å; A327-G329 PolarHBondContact O-N 3.45Å; G329-L331 PolarHBondContact O-N 3.48Å; G329-I332 PolarHBondContact O-N 3.21Å; G329-T333 PolarHBondContact O-N 3.5Å; G329-T333 PolarHBondContact O-OG1 3.41Å; G329-T333 VanDerWaalsContact O-OG1 3.08Å
330L97.3Very high93.4Very high104 Ų10447.3 Ų47.355%0.54526%0.259SS..Hα-helixtrans-63-41.8179-68.3176.5000112.4L326 A327 T334L326-L330 HydrophobicContact CD1-CD1 4.2Å; L326-L330 HydrophobicContact CD1-CG 4.32Å; L326-L330 HydrophobicContact CG-CD1 4.1Å; L326-L330 WeakPolarHBondContact O-CB 3.25Å; L326-L330 WeakPolarHBondContact O-CG 3.41Å; L326-L330 PolarHBondContact O-N 3.3Å; A327-L330 PolarHBondContact O-N 3.15Å; L330-T334 WeakPolarHBondContact O-CB 3.49Å; L330-T334 PolarHBondContact O-N 2.83Å; L330-T334 PolarHBondContact O-OG1 3.29Å
331L97.2Very high92.9Very high23 Ų2351.8 Ų51.812%0.1228%0.284CS..Hα-helixtrans-65-46.6177.9-73.3169.9000111.2V236 L239 T240 L243 A327 C328 G329 T334 I335V236-L331 HydrophobicContact CG1-CD1 3.92Å; L239-L331 HydrophobicContact CB-CB 4.04Å; L239-L331 HydrophobicContact CB-CD1 3.86Å; L239-L331 HydrophobicContact CD1-CB 4.36Å; T240-L331 WeakPolarHBondContact OG1-CD1 3.34Å; L243-L331 HydrophobicContact CD2-CD2 3.58Å; A327-L331 VanDerWaalsContact O-CB 3.24Å; A327-L331 WeakPolarHBondContact O-CB 3.16Å; A327-L331 WeakPolarHBondContact O-CD1 3.48Å; A327-L331 WeakPolarHBondContact O-CG 3.08Å; A327-L331 PolarHBondContact O-N 3.29Å; C328-L331 PolarHBondContact O-N 3.26Å; G329-L331 PolarHBondContact O-N 3.48Å; L331-T334 PolarHBondContact O-N 3.44Å; L331-I335 WeakPolarHBondContact O-CB 3.3Å; L331-I335 WeakPolarHBondContact O-CD1 3.24Å; L331-I335 WeakPolarHBondContact O-CG1 3.25Å; L331-I335 PolarHBondContact O-N 2.81Å
332I95.8Very high92Very high11 Ų1156.5 Ų56.56%0.05631%0.309CS..Hα-helixtrans-58.2-51.9176.2-71.5164000110.3L239 C328 G329 T334 I335 V336 V459 L463 L466L239-I332 HydrophobicContact CD1-CG1 4.09Å; L239-I332 HydrophobicContact CD2-CG1 4.15Å; C328-I332 WeakPolarHBondContact O-CB 3.06Å; C328-I332 WeakPolarHBondContact O-CD1 3.3Å; C328-I332 WeakPolarHBondContact O-CG1 3.41Å; C328-I332 PolarHBondContact O-N 2.85Å; G329-I332 PolarHBondContact O-N 3.21Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 3.41Å; I332-I335 PolarHBondContact O-N 3Å; I332-V336 HydrophobicContact CG2-CG2 4.21Å; I332-V336 WeakPolarHBondContact O-CB 3.26Å; I332-V336 VanDerWaalsContact O-CG2 3.27Å; I332-V336 WeakPolarHBondContact O-CG2 3.41Å; I332-V336 PolarHBondContact O-N 3Å; I332-V459 HydrophobicContact CG2-CG1 4.15Å; I332-L463 HydrophobicContact CD1-CD2 4.29Å; I332-L463 HydrophobicContact CD1-CG 4.36Å; I332-L463 HydrophobicContact CG2-CD2 4.05Å; I332-L463 HydrophobicContact CG2-CG 4.39Å; I332-L466 HydrophobicContact CD1-CD1 3.77Å; I332-L466 HydrophobicContact CD1-CG 4.41Å
333T95.2Very high90.3Very high93 Ų9352.6 Ų52.657%0.57129%0.292SS*.Hα-helixtrans-58-43.6179.5-60.10000111.4G329 L337G329-T333 PolarHBondContact O-N 3.5Å; G329-T333 PolarHBondContact O-OG1 3.41Å; G329-T333 VanDerWaalsContact O-OG1 3.08Å; T333-L337 VanDerWaalsContact O-CB 3.23Å; T333-L337 WeakPolarHBondContact O-CB 3.48Å; T333-L337 PolarHBondContact O-N 2.72Å
334T95.1Very high88.3Confident55 Ų5555.1 Ų55.134%0.33731%0.311SS..Hα-helixtrans-67.1-42.9179.8-55.90000112.1L243 L330 L331 I332 K338L243-T334 HydrophobicContact CD1-CG2 3.8Å; L243-T334 HydrophobicContact CD2-CG2 4.2Å; L330-T334 WeakPolarHBondContact O-CB 3.49Å; L330-T334 PolarHBondContact O-N 2.83Å; L330-T334 PolarHBondContact O-OG1 3.29Å; L331-T334 PolarHBondContact O-N 3.44Å; I332-T334 VanDerWaalsContact C-N 3.29Å; I332-T334 PolarHBondContact O-N 3.41Å; T334-K338 HydrophobicContact CG2-CD 4.45Å; T334-K338 WeakPolarHBondContact O-CB 3.49Å; T334-K338 WeakPolarHBondContact O-CG 3.48Å; T334-K338 PolarHBondContact O-N 2.97Å
335I92.5Very high86.2Confident0 Ų059.3 Ų59.30%034%0.34CS..Hα-helixtrans-63.5-48.9177.7-71.2165.9000110.1L239 L243 L246 L331 I332 K338 M339 V455 V459L239-I335 HydrophobicContact CB-CD1 4.19Å; L239-I335 HydrophobicContact CD2-CD1 3.82Å; L239-I335 WeakPolarHBondContact O-CD1 3.27Å; L243-I335 HydrophobicContact CB-CD1 4.17Å; L243-I335 HydrophobicContact CB-CG1 3.87Å; L243-I335 HydrophobicContact CD1-CG1 4.01Å; L243-I335 HydrophobicContact CG-CG1 4.45Å; L246-I335 HydrophobicContact CD1-CB 4.5Å; L246-I335 HydrophobicContact CD1-CG2 3.85Å; L331-I335 WeakPolarHBondContact O-CB 3.3Å; L331-I335 WeakPolarHBondContact O-CD1 3.24Å; L331-I335 WeakPolarHBondContact O-CG1 3.25Å; L331-I335 PolarHBondContact O-N 2.81Å; I332-I335 PolarHBondContact O-N 3Å; I335-K338 PolarHBondContact O-N 2.91Å; I335-M339 HydrophobicContact CG2-CE 3.77Å; I335-M339 HydrophobicContact CG2-SD 4.42Å; I335-M339 WeakPolarHBondContact O-CG 3.34Å; I335-M339 PolarHBondContact O-N 2.97Å; I335-V455 HydrophobicContact CG2-CG1 3.67Å; I335-V459 HydrophobicContact CB-CG2 4.31Å; I335-V459 HydrophobicContact CG2-CG2 3.53Å
336V91.1Very high84.3Confident61 Ų6162.6 Ų62.637%0.3736%0.355SS..Hα-helixtrans-61.9-45.6179.1172.10000110.6I332 K338 M339 V340 V459I332-V336 HydrophobicContact CG2-CG2 4.21Å; I332-V336 WeakPolarHBondContact O-CB 3.26Å; I332-V336 VanDerWaalsContact O-CG2 3.27Å; I332-V336 WeakPolarHBondContact O-CG2 3.41Å; I332-V336 PolarHBondContact O-N 3Å; V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.03Å; V336-M339 WeakPolarHBondContact O-CB 3.43Å; V336-M339 PolarHBondContact O-N 2.89Å; V336-V340 HydrophobicContact CG1-CG2 4.44Å; V336-V340 WeakPolarHBondContact O-CG2 3.41Å; V336-V340 PolarHBondContact O-N 3.29Å; V336-V459 HydrophobicContact CG2-CG1 3.95Å
337L90.9Very high82.1Confident103 Ų10363.6 Ų63.654%0.53935%0.353SS..Hα-helixtrans-60.8-41.7177.4-173.964.5000111.7T333 V340 N341T333-L337 VanDerWaalsContact O-CB 3.23Å; T333-L337 WeakPolarHBondContact O-CB 3.48Å; T333-L337 PolarHBondContact O-N 2.72Å; L337-V340 PolarHBondContact O-N 3.05Å; L337-N341 WeakPolarHBondContact O-CB 3.26Å; L337-N341 VanDerWaalsContact O-CG 3.23Å; L337-N341 PolarHBondContact O-N 3.25Å; L337-N341 PolarHBondContact O-ND2 3.38Å
338K87.7Confident79.9Confident74 Ų7470.1 Ų70.132%0.32238%0.376SS..Hα-helixtrans-65.9-41.6175.4-80.2-174.6169.1173.40112.6L243 N247 T334 I335 V336 V340 N341 L342L243-K338 HydrophobicContact CD1-CD 3.97Å; N247-K338 PolarHBondContact ND2-NZ 2.92Å; N247-K338 WeakPolarHBondContact OD1-CD 3.5Å; N247-K338 WeakPolarHBondContact OD1-CE 3.24Å; N247-K338 PolarHBondContact OD1-NZ 3.48Å; T334-K338 HydrophobicContact CG2-CD 4.45Å; T334-K338 WeakPolarHBondContact O-CB 3.49Å; T334-K338 WeakPolarHBondContact O-CG 3.48Å; T334-K338 PolarHBondContact O-N 2.97Å; I335-K338 PolarHBondContact O-N 2.91Å; V336-K338 VanDerWaalsContact C-N 3.32Å; V336-K338 PolarHBondContact O-N 3.03Å; K338-V340 VanDerWaalsContact C-N 3.33Å; K338-V340 PolarHBondContact O-N 3.19Å; K338-N341 PolarHBondContact O-N 2.95Å; K338-L342 VanDerWaalsContact O-CB 3.31Å; K338-L342 WeakPolarHBondContact O-CB 3.14Å; K338-L342 WeakPolarHBondContact O-CD1 3.49Å; K338-L342 VanDerWaalsContact O-CG 3.26Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 3.24Å
339M83.4Confident77.8Confident17 Ų1772 Ų728%0.08439%0.392CS..Hα-helixtrans-59.7-44.6173.5-75-177.3179.500111.8L246 I335 V336 L342 H343 W347 V455 I456 V459L246-M339 HydrophobicContact CD1-CG 4.25Å; I335-M339 HydrophobicContact CG2-CE 3.77Å; I335-M339 HydrophobicContact CG2-SD 4.42Å; I335-M339 WeakPolarHBondContact O-CG 3.34Å; I335-M339 PolarHBondContact O-N 2.97Å; V336-M339 WeakPolarHBondContact O-CB 3.43Å; V336-M339 PolarHBondContact O-N 2.89Å; M339-L342 PolarHBondContact O-N 2.78Å; M339-H343 VanDerWaalsContact O-CB 3.31Å; M339-H343 WeakPolarHBondContact O-CB 3.27Å; M339-H343 PolarHBondContact O-N 3Å; M339-H343 VanDerWaalsContact O-N 3.15Å; M339-W347 HydrophobicContact CB-CZ2 4.06Å; M339-W347 HydrophobicContact CG-CZ2 4.37Å; M339-W347 HydrophobicContact SD-CH2 4.18Å; M339-W347 HydrophobicContact SD-CZ2 3.6Å; M339-W347 VanDerWaalsContact SD-CZ2 3.6Å; M339-V455 HydrophobicContact CE-CB 3.48Å; M339-V455 VanDerWaalsContact CE-CB 3.48Å; M339-V455 HydrophobicContact CE-CG1 2.97Å; M339-I456 HydrophobicContact CE-CG1 4.33Å; M339-V459 HydrophobicContact CE-CG2 4.47Å
340V83.8Confident75.7Confident87 Ų8772.4 Ų72.453%0.52739%0.39SS..Hα-helixtrans-62.9-44.1178.8171.40000110.5V336 L337 K338 L342V336-V340 HydrophobicContact CG1-CG2 4.44Å; V336-V340 WeakPolarHBondContact O-CG2 3.41Å; V336-V340 PolarHBondContact O-N 3.29Å; L337-V340 PolarHBondContact O-N 3.05Å; K338-V340 VanDerWaalsContact C-N 3.33Å; K338-V340 PolarHBondContact O-N 3.19Å; V340-L342 PolarHBondContact O-N 3.17Å
341N82.7Confident73.5Confident119 Ų11970.9 Ų70.964%0.63639%0.392SS*.Hα-helixtrans-67.2-32.8179.2-71-20.1000113.4L337 K338L337-N341 WeakPolarHBondContact O-CB 3.26Å; L337-N341 VanDerWaalsContact O-CG 3.23Å; L337-N341 PolarHBondContact O-N 3.25Å; L337-N341 PolarHBondContact O-ND2 3.38Å; K338-N341 PolarHBondContact O-N 2.95Å
342L72.5Confident71.3Confident103 Ų10373.3 Ų73.354%0.53941%0.411SS..Hα-helixtrans-87-20.1-176.3-71.7166.7000114.1K338 M339 V340K338-L342 VanDerWaalsContact O-CB 3.31Å; K338-L342 WeakPolarHBondContact O-CB 3.14Å; K338-L342 WeakPolarHBondContact O-CD1 3.49Å; K338-L342 VanDerWaalsContact O-CG 3.26Å; K338-L342 WeakPolarHBondContact O-CG 3.38Å; K338-L342 PolarHBondContact O-N 3.24Å; M339-L342 PolarHBondContact O-N 2.78Å; V340-L342 PolarHBondContact O-N 3.17Å
343H59.1Low69.1Low22 Ų2275.9 Ų75.910%0.10243%0.425CS..  trans-129.832.6-158.5-83.6-125.2000117.9M339 S345 K346 W347M339-H343 VanDerWaalsContact O-CB 3.31Å; M339-H343 WeakPolarHBondContact O-CB 3.27Å; M339-H343 PolarHBondContact O-N 3Å; M339-H343 VanDerWaalsContact O-N 3.15Å; H343-S345 PolarHBondContact O-N 3.04Å; H343-K346 HydrophobicContact CB-CB 4.35Å; H343-K346 WeakPolarHBondContact ND1-CB 3.32Å; H343-K346 PolarHBondContact O-N 2.84Å; H343-W347 HydrophobicContact CB-CG 4.04Å; H343-W347 PolarHBondContact O-N 3.41Å
344T52.9Low66.9Low132 Ų13275 Ų7581%0.8142%0.421SS*.THydrogen-bonded Turntrans-57.5-18.6170.747.80000114.1
345S52.4Low64.5Low88 Ų8877.6 Ų77.662%0.61543%0.433SS*.THydrogen-bonded Turntrans-102.4-41.1174.755.10000114.7H343H343-S345 PolarHBondContact O-N 3.04Å
346K54.2Low62.4Low90 Ų9086.6 Ų86.639%0.39148%0.475SS..Hα-helixtrans-80.9-24.9-170.6-75.9-173177.7-165.90114.7H343 K348 A349 V350 E448H343-K346 HydrophobicContact CB-CB 4.35Å; H343-K346 WeakPolarHBondContact ND1-CB 3.32Å; H343-K346 PolarHBondContact O-N 2.84Å; K346-K348 VanDerWaalsContact C-N 3.28Å; K346-K348 PolarHBondContact O-N 2.82Å; K346-A349 PolarHBondContact O-N 2.9Å; K346-V350 PolarHBondContact O-N 3.4Å; K346-E448 IonicContact NZ-OE2 2.92Å; K346-E448 PolarHBondContact NZ-OE2 3.37Å
347W49.7Very low60.2Low104 Ų10488.9 Ų88.939%0.39449%0.489SS..Hα-helixtrans-62.7-33.9175.4-85.6107.5000112.9M339 H343 A349 V350 A351 I456M339-W347 HydrophobicContact CB-CZ2 4.06Å; M339-W347 HydrophobicContact CG-CZ2 4.37Å; M339-W347 HydrophobicContact SD-CH2 4.18Å; M339-W347 HydrophobicContact SD-CZ2 3.6Å; M339-W347 VanDerWaalsContact SD-CZ2 3.6Å; H343-W347 HydrophobicContact CB-CG 4.04Å; H343-W347 PolarHBondContact O-N 3.41Å; W347-A349 VanDerWaalsContact C-N 3.31Å; W347-A349 PolarHBondContact O-N 3.44Å; W347-V350 PolarHBondContact O-N 2.84Å; W347-A351 VanDerWaalsContact O-CB 3.26Å; W347-A351 WeakPolarHBondContact O-CB 3.4Å; W347-A351 PolarHBondContact O-N 3.47Å; W347-I456 HydrophobicContact CH2-CD1 3.67Å; W347-I456 HydrophobicContact CH2-CG1 3.89Å; W347-I456 HydrophobicContact CZ3-CD1 3.66Å; W347-I456 HydrophobicContact CZ3-CG1 4.37Å
348K52.2Low57.9Low165 Ų16586.6 Ų86.672%0.71749%0.486SS*.Hα-helixtrans-64.2-36.7176.6-72.5-176.1178177.80112K346 S352K346-K348 VanDerWaalsContact C-N 3.28Å; K346-K348 PolarHBondContact O-N 2.82Å; K348-S352 WeakPolarHBondContact O-CB 3.47Å; K348-S352 PolarHBondContact O-N 3.32Å
349A52Low55.7Low40 Ų4086.3 Ų86.333%0.33149%0.492SS..Hα-helixtrans-70.4-40.8177.400000112.2K346 W347 S352 L353K346-A349 PolarHBondContact O-N 2.9Å; W347-A349 VanDerWaalsContact C-N 3.31Å; W347-A349 PolarHBondContact O-N 3.44Å; A349-S352 PolarHBondContact O-N 2.87Å; A349-S352 PolarHBondContact O-OG 3.45Å; A349-L353 VanDerWaalsContact O-CD1 3.28Å; A349-L353 WeakPolarHBondContact O-CD1 3.17Å; A349-L353 PolarHBondContact O-N 2.94Å
350V52.3Low53.6Low30 Ų3089.3 Ų89.318%0.18252%0.519CS..Hα-helixtrans-68.9-40.8176.1179.60000111.1K346 W347 S352 L353 C354K346-V350 PolarHBondContact O-N 3.4Å; W347-V350 PolarHBondContact O-N 2.84Å; V350-S352 VanDerWaalsContact C-N 3.3Å; V350-S352 PolarHBondContact O-N 2.9Å; V350-L353 PolarHBondContact O-N 3.43Å; V350-C354 PolarHBondContact O-N 3.44Å; V350-C354 VanDerWaalsContact O-N 3.14Å
351A51.5Low51.3Low72 Ų7288 Ų8860%0.59551%0.513SS*.Hα-helixtrans-63.6-34.6174.400000112.4W347W347-A351 VanDerWaalsContact O-CB 3.26Å; W347-A351 WeakPolarHBondContact O-CB 3.4Å; W347-A351 PolarHBondContact O-N 3.47Å
352S49.5Very low49.3Very low73 Ų7386.6 Ų86.651%0.5151%0.509SS..Hα-helixtrans-77.4-28.1176.792.40000113.3K348 A349 V350 N355K348-S352 WeakPolarHBondContact O-CB 3.47Å; K348-S352 PolarHBondContact O-N 3.32Å; A349-S352 PolarHBondContact O-N 2.87Å; A349-S352 PolarHBondContact O-OG 3.45Å; V350-S352 VanDerWaalsContact C-N 3.3Å; V350-S352 PolarHBondContact O-N 2.9Å; S352-N355 WeakPolarHBondContact O-CB 3.5Å; S352-N355 PolarHBondContact O-N 3.28Å
353L50.2Low47.7Very low66 Ų6684.2 Ų84.235%0.34650%0.501SS..Hα-helixtrans-78.3-21.6175.8-100.688.2000113.9A349 V350 N355 A358A349-L353 VanDerWaalsContact O-CD1 3.28Å; A349-L353 WeakPolarHBondContact O-CD1 3.17Å; A349-L353 PolarHBondContact O-N 2.94Å; V350-L353 PolarHBondContact O-N 3.43Å; L353-N355 PolarHBondContact O-N 3.48Å; L353-A358 HydrophobicContact CG-CB 4.16Å
354C48.4Very low46.8Very low73 Ų7391.4 Ų91.449%0.49353%0.527SS..THydrogen-bonded Turntrans-71.5-6.4170.8-77.90000113.3V350V350-C354 PolarHBondContact O-N 3.44Å; V350-C354 VanDerWaalsContact O-N 3.14Å
355N44.8Very low46Very low111 Ų11190.4 Ų90.459%0.59452%0.521SS*.SBendtrans-80.7128.6167.9-156.112.1000108.8S352 L353 T357S352-N355 WeakPolarHBondContact O-CB 3.5Å; S352-N355 PolarHBondContact O-N 3.28Å; L353-N355 PolarHBondContact O-N 3.48Å; N355-T357 PolarHBondContact O-N 2.89Å
356E48.7Very low45.2Very low189 Ų18989.8 Ų89.888%0.88353%0.528SS*.THydrogen-bonded Turntrans-57.2-0.2-158.3-64.9-179.1149.700117.3
357T44.8Very low44.3Very low108 Ų10891 Ų9166%0.66354%0.543SS*.THydrogen-bonded Turntrans-102.3-22.7-171.149.30000115.4N355N355-T357 PolarHBondContact O-N 2.89Å
358A42Very low43.9Very low56 Ų5688.3 Ų88.346%0.46354%0.539SS..THydrogen-bonded Turntrans-89.1-11.4-169.500000115.7L353L353-A358 HydrophobicContact CG-CB 4.16Å
359C42.7Very low43.2Very low67 Ų6783.1 Ų83.145%0.45353%0.533SS..THydrogen-bonded Turntrans-953.4-175.7-110.30000114.7
360A39.6Very low42.7Very low80 Ų8091.6 Ų91.666%0.66156%0.562SS**SBendtrans-82.6-10.3-16700000116.4
361C35.8Very low42.3Very low59 Ų5999.1 Ų99.140%0.39960%0.595SS.*  trans-137.623.2-171-690000116.9C363 C372C361-C363 VanDerWaalsContact C-N 3.32Å; C361-C363 PolarHBondContact O-N 3.44Å; C361-C363 VanDerWaalsContact O-N 3.16Å; C361-C372 HydrophobicContact CB-CB 4.01Å; C361-C372 WeakPolarHBondContact CB-SG 3.45Å; C361-C372 WeakPolarHBondContact SG-CB 3.3Å; C361-C372 CovalentContact SG-SG 2.06Å; C361-C372 PolarHBondContact SG-SG 3.35Å
362V41Very low41.9Very low91 Ų9198.5 Ų98.555%0.55259%0.586SS**  trans-90.969.3171.6-167.90000110.7R364 L446V362-R364 PolarHBondContact O-N 3.38Å; V362-L446 HydrophobicContact CG1-CD1 4.4Å
363C37.4Very low41.2Very low53 Ų53106.6 Ų106.636%0.35861%0.605SS.*  trans-65111.2164-75.60000109.2C361 T365 G366 C368C361-C363 VanDerWaalsContact C-N 3.32Å; C361-C363 PolarHBondContact O-N 3.44Å; C361-C363 VanDerWaalsContact O-N 3.16Å; C363-T365 PolarHBondContact O-N 2.95Å; C363-G366 PolarHBondContact O-N 3.34Å; C363-C368 HydrophobicContact CB-CB 3.85Å; C363-C368 WeakPolarHBondContact CB-SG 3.09Å; C363-C368 WeakPolarHBondContact SG-CA 3.19Å; C363-C368 WeakPolarHBondContact SG-CB 3.45Å; C363-C368 CovalentContact SG-SG 2.05Å; C363-C368 PolarHBondContact SG-SG 2.78Å
364R40.6Very low40.5Very low172 Ų172112.1 Ų112.165%0.64963%0.63SS**THydrogen-bonded Turntrans-63.31.4179.9-150.3174.8-175.1141.83.3114.3V362 D447V362-R364 PolarHBondContact O-N 3.38Å; R364-D447 IonicContact NH1-OD1 3.72Å; R364-D447 IonicContact NH2-OD2 3.47Å; R364-D447 PolarHBondContact NH2-OD2 2.95Å
365T37.2Very low39.9Very low112 Ų112112.2 Ų112.269%0.68764%0.642SS**THydrogen-bonded Turntrans-116.71.5-179.8530000114.4C363 V367C363-T365 PolarHBondContact O-N 2.95Å; T365-V367 WeakPolarHBondContact O-CG2 3.37Å; T365-V367 PolarHBondContact O-N 2.93Å
366G35.4Very low39.5Very low75 Ų75113.9 Ų113.977%0.77366%0.657SS**SBendtrans66.714-177.200000114.1C363C363-G366 PolarHBondContact O-N 3.34Å
367V35.5Very low39Very low115 Ų115112.5 Ų112.570%0.69765%0.648SS**  trans-122.960.5177.5-155.10000109.8T365T365-V367 WeakPolarHBondContact O-CG2 3.37Å; T365-V367 PolarHBondContact O-N 2.93Å
368C41Very low38.9Very low48 Ų48112.7 Ų112.732%0.32465%0.653SS.*  trans-82.1124.5158-98.60000106.6C363C363-C368 HydrophobicContact CB-CB 3.85Å; C363-C368 WeakPolarHBondContact CB-SG 3.09Å; C363-C368 WeakPolarHBondContact SG-CA 3.19Å; C363-C368 WeakPolarHBondContact SG-CB 3.45Å; C363-C368 CovalentContact SG-SG 2.05Å; C363-C368 PolarHBondContact SG-SG 2.78Å
369G37.5Very low38.7Very low56 Ų56115.9 Ų115.958%0.57766%0.662SS**  trans-56.3172-17900000113.1E371G369-E371 PolarHBondContact O-N 3.33Å
370K40.2Very low38.7Very low218 Ų218119.8 Ų119.895%0.94868%0.679SS**THydrogen-bonded Turntrans-58.213.2-166.9-62.1178178.9175.90117
371E44.7Very low38.9Very low187 Ų187124 Ų12487%0.87469%0.689SS**THydrogen-bonded Turntrans-111.6-11.8-169.3-51.1-164.8-158.100113.6G369 R373G369-E371 PolarHBondContact O-N 3.33Å; E371-R373 VanDerWaalsContact C-N 3.33Å; E371-R373 PolarHBondContact O-N 2.7Å
372C43.7Very low39Very low60 Ų60126.9 Ų126.941%0.40571%0.71SS.*  trans-81.978.4167.5-64.90000109.9C361C361-C372 HydrophobicContact CB-CB 4.01Å; C361-C372 WeakPolarHBondContact CB-SG 3.45Å; C361-C372 WeakPolarHBondContact SG-CB 3.3Å; C361-C372 CovalentContact SG-SG 2.06Å; C361-C372 PolarHBondContact SG-SG 3.35Å
373R34Very low38.8Very low243 Ų243132.6 Ų132.692%0.91773%0.728SS**  trans-9965.8178.5-144.7-173.8-155-148.96.6110.5E371E371-R373 VanDerWaalsContact C-N 3.33Å; E371-R373 PolarHBondContact O-N 2.7Å
374E34.9Very low38.8Very low182 Ų182134.8 Ų134.885%0.8574%0.744SS**  trans-115.9117.2168.1-80.7179.9158.700109.1
375G36.7Very low38.7Very low74 Ų74138.4 Ų138.476%0.76376%0.757SS**  trans123.562.9-174.400000112.2K377G375-K377 PolarHBondContact O-N 3.05Å; G375-K377 VanDerWaalsContact O-N 3.09Å
376V37.1Very low38.7Very low147 Ų147138.7 Ų138.789%0.89176%0.764SS**  trans-58.8114.8170.1173.60000108.2S378V376-S378 PolarHBondContact O-N 3.18Å
377K38Very low38.9Very low160 Ų160139.8 Ų139.870%0.69676%0.76SS**  trans-52.7129.1171.2-73.8176.6171.6-176.80110.4G375 D379G375-K377 PolarHBondContact O-N 3.05Å; G375-K377 VanDerWaalsContact O-N 3.09Å; K377-D379 PolarHBondContact O-N 2.93Å
378S41.2Very low39.2Very low111 Ų111140.6 Ų140.678%0.77676%0.76SS**  trans-66.377.6153.6173.10000108.5V376 D380V376-S378 PolarHBondContact O-N 3.18Å; S378-D380 PolarHBondContact O-N 3.25Å
379D39Very low39.2Very low123 Ų123146.8 Ų146.866%0.65878%0.782SS**  trans-90.370.1168.9-78.7-29.6000108.2K377K377-D379 PolarHBondContact O-N 2.93Å
380D43.3Very low39.3Very low150 Ų150150.1 Ų150.180%0.80279%0.787SS**  trans-153.121.8172.2-102-23.5000115.8S378S378-D380 PolarHBondContact O-N 3.25Å
381L42Very low39.3Very low167 Ų167145.9 Ų145.987%0.87477%0.774SS**SBendtrans-133.152.1178.4-129.795.3000114.2
382S38.9Very low39.2Very low120 Ų120144.8 Ų144.884%0.83977%0.769SS**  trans-163.858.9160.6500000112.4
383K37.1Very low39.2Very low212 Ų212147.8 Ų147.892%0.92278%0.777SS**  trans-121.576.6162.5-86.3-179.4179.2167.70109
384S37.2Very low39.6Very low99 Ų99144 Ų14469%0.69277%0.767SS**  trans-167.3111.5162.9-173.40000107.5
385W37.8Very low39.9Very low247 Ų247141.3 Ų141.394%0.93677%0.769SS**  trans124.877.6164.7-6618.5000112.9
386S37.1Very low40.1Very low118 Ų118141.4 Ų141.483%0.82577%0.77SS**  trans-144.299.3159.247.80000108.6
387S40.6Very low40.3Very low99 Ų99142.5 Ų142.569%0.69277%0.765SS**  trans168.9127.6151.271.10000104.8
388D41.3Very low40.6Very low132 Ų132141.9 Ų141.971%0.70678%0.775SS**  cis-162.7137.848.2-83-59.1000112
389F40.3Very low40.6Very low178 Ų178145.1 Ų145.178%0.78178%0.775SS**  trans36119.6134.6-79.3-89.2000123.3
390N39.7Very low40.6Very low126 Ų126144.5 Ų144.567%0.67478%0.78SS**  57.1115.9127.6-81-1.4000121
391N40.6Very low40.5Very low129 Ų129142 Ų14269%0.6977%0.771SS**  156.4138.398.9-91.9-28.6000112.5
392Q43.1Very low40.5Very low163 Ų163142.8 Ų142.876%0.76277%0.767SS**  trans49.1147.2138-76.3-179.1-26.300120
393E43.3Very low40.7Very low124 Ų124144.5 Ų144.558%0.57976%0.761SS**  cis-174.3159.2-2.6-131-170.9150.800104.8
394K41.4Very low41Very low162 Ų162138.9 Ų138.970%0.70475%0.749SS**  trans76.5114.8144.6-76.2168.7178.7143.20122.1
395S42.6Very low41.2Very low127 Ų127140.8 Ų140.889%0.88876%0.757SS**  93.3124.1115.3-171.30000119.2
396G40.9Very low41.6Very low76 Ų76134.3 Ų134.378%0.78475%0.746SS**  trans15771.8157.200000117
397Q41.2Very low41.8Very low170 Ų170134.8 Ų134.879%0.79474%0.74SS**  trans-73.1139.7169.3-139.4-176.49.200111.2
398V44.7Very low41.9Very low147 Ų147137.6 Ų137.689%0.89174%0.739SS**  trans-157.6133.8138.71750000110.3
399K40.1Very low42Very low178 Ų178137.8 Ų137.877%0.77474%0.74SS**  trans-91.5173.7-179.6-75.3174.7171.3176.60112.8
400S40.6Very low42.2Very low111 Ų111136 Ų13678%0.77674%0.739SS**  trans104.9139139.4-138.50000114.8
401T39.4Very low42.1Very low98 Ų98135.7 Ų135.760%0.60174%0.742SS**  cis170.5137.3-9.2-94.30000107.1
402K41.7Very low42Very low182 Ų182138.3 Ų138.379%0.79175%0.748SS**  trans64.5152.5151.8-78.2171.5-170.8-174.20117.7
403Q44.5Very low41.9Very low156 Ų156138.8 Ų138.873%0.72975%0.75SS**  cis178.3164.36.6164.5170.1-300108.6
404S42.2Very low41.8Very low94 Ų94143 Ų14366%0.65777%0.766SS**  trans77.499153.249.60000122.6
405T42.9Very low41.6Very low139 Ų139140 Ų14085%0.85377%0.765SS**  63.1151.2114.343.20000124.1
406P45Very low41.3Very low111 Ų111143.1 Ų143.172%0.72176%0.764SS**  trans-111.7166.9-154.942-30.5000114.4
407D41.7Very low41.2Very low129 Ų129145.7 Ų145.769%0.6976%0.764SS**  trans-174.6136.6137.1-112.7-5.5000113.9
408K42.6Very low41.1Very low157 Ų157141.4 Ų141.468%0.68377%0.765SS**  trans68.4120.7139.2-73172-174.61300124.3
409N43.8Very low40.9Very low136 Ų136141.9 Ų141.973%0.72776%0.761SS**  93.8140.2123.3-74.88.3000122.3
410D43.3Very low41Very low140 Ų140141 Ų14175%0.74977%0.765SS**  trans101.785.9153.9-59.1-20.8000120.3
411T38.2Very low40.7Very low120 Ų120146.5 Ų146.574%0.73677%0.769SS**  16.7120.9120.6-31.20000118.6
412F39.9Very low40.8Very low185 Ų185149.1 Ų149.181%0.81178%0.779SS**  177.3143.2117.9-117-96.9000113.8
413Q40.2Very low40.7Very low173 Ų173148.3 Ų148.381%0.80878%0.784SS**  trans-54.7144.1177.1-70.8164.5-56.800115.2
414K41.3Very low40.5Very low213 Ų213144.3 Ų144.393%0.92678%0.784SS**  trans-158141.7135.3-128.5172.2-176.6175.90114
415S37.9Very low40.5Very low98 Ų98146.9 Ų146.969%0.68579%0.79SS**  trans-89.8149.8-168.853.10000115.1
416F36.4Very low40.4Very low193 Ų193150.7 Ų150.785%0.84680%0.795SS**  trans67.7139.4138.2-93.6-86.4000123.9
417T38.2Very low40.2Very low130 Ų130149.9 Ų149.980%0.79879%0.789SS**  trans74.1106.2157.458.20000120.7
418G38.5Very low40.5Very low79 Ų79151.5 Ų151.581%0.81480%0.798SS**  trans-161.688.9158.700000110.5
419I41.3Very low40.9Very low158 Ų158149.7 Ų149.781%0.8179%0.794SS**  trans-61.3129175.6-68.1162.9000110
420N40.8Very low41.4Very low160 Ų160148 Ų14886%0.85679%0.786SS**  trans-153.9127.6139.3-125-14000113.6
421R36.1Very low42.1Very low225 Ų225145.5 Ų145.585%0.84978%0.777SS**  trans-57.5131.6173.7-85166.2152.7153.9-7.7110.9
422N41.1Very low43.1Very low153 Ų153145.2 Ų145.282%0.81877%0.77SS**  trans-169.6123.4130-96.9-15.7000111.3
423N38.7Very low43.9Very low166 Ų166141.9 Ų141.989%0.88876%0.757SS**  trans5.9112.2154-64-13.2000117.5
424G40.7Very low44.6Very low72 Ų72140 Ų14074%0.74275%0.748SS**  trans-153.3106.3166.100000109.7
425N42.6Very low45.1Very low147 Ų147136.2 Ų136.279%0.78673%0.734SS**  trans-51.4129.7-173.3-74.6-23.1000114.2T427N425-T427 PolarHBondContact O-N 3.48Å
426F40.2Very low45.8Very low219 Ų219135.4 Ų135.496%0.96172%0.721SS**SBendtrans-7457.2160.5-113.6-85.5000110.3
427T41.7Very low46.3Very low95 Ų95128.6 Ų128.658%0.58370%0.7SS**  trans-155.897.5176.955.90000110N425N425-T427 PolarHBondContact O-N 3.48Å
428N48.1Very low46.7Very low163 Ų163129.2 Ų129.287%0.87269%0.689SS**  trans-179.674.7151.2-91.9-15.3000106.9
429L50.1Low46.9Very low118 Ų118130.2 Ų130.262%0.61868%0.675SS**  trans-63.3138.5147.4-114.277.5000106
430D53.6Low47.1Very low102 Ų102130.5 Ų130.555%0.54567%0.671SS.*  trans-52.6131.5-179.7-116.3-33.8000109.1I432 E433 Q434D430-I432 PolarHBondContact O-N 3.04Å; D430-E433 HydrophobicContact CB-CB 4.28Å; D430-E433 HydrophobicContact CB-CG 4.17Å; D430-E433 WeakPolarHBondContact O-CA 3.16Å; D430-E433 WeakPolarHBondContact O-CB 3.3Å; D430-E433 PolarHBondContact O-N 3.42Å; D430-Q434 PolarHBondContact O-N 3.3Å
431P58Low47.4Very low86 Ų86131.8 Ų131.856%0.55867%0.669SS**Hα-helixtrans-56.2-23.917620.2-30.6000111.6E435P431-E435 VanDerWaalsContact O-CB 3.31Å; P431-E435 WeakPolarHBondContact O-CB 3.46Å; P431-E435 WeakPolarHBondContact O-CG 3.48Å; P431-E435 PolarHBondContact O-N 3.23Å
432I60.1Low47.8Very low115 Ų115126.2 Ų126.259%0.5965%0.653SS**Hα-helixtrans-68.6-41.7171.6-66170000111.7D430 Q434 L436D430-I432 PolarHBondContact O-N 3.04Å; I432-Q434 VanDerWaalsContact C-N 3.34Å; I432-L436 HydrophobicContact CG2-CD1 3.58Å; I432-L436 WeakPolarHBondContact O-CB 3.44Å; I432-L436 WeakPolarHBondContact O-CD1 3.44Å; I432-L436 WeakPolarHBondContact O-CG 3.35Å; I432-L436 PolarHBondContact O-N 2.92Å
433E55.5Low47.9Very low114 Ų114124.1 Ų124.153%0.53364%0.641SS.*Hα-helixtrans-70.2-30.9174.7-74.5-169.5151.100112.2D430 A437D430-E433 HydrophobicContact CB-CB 4.28Å; D430-E433 HydrophobicContact CB-CG 4.17Å; D430-E433 WeakPolarHBondContact O-CA 3.16Å; D430-E433 WeakPolarHBondContact O-CB 3.3Å; D430-E433 PolarHBondContact O-N 3.42Å; E433-A437 WeakPolarHBondContact O-CB 3.31Å; E433-A437 PolarHBondContact O-N 3.31Å
434Q55.5Low48.4Very low135 Ų135118.7 Ų118.763%0.63162%0.615SS**Hα-helixtrans-73.8-37.6175.7-151.9165.113.600111.9D430 I432 Y438D430-Q434 PolarHBondContact O-N 3.3Å; I432-Q434 VanDerWaalsContact C-N 3.34Å; Q434-Y438 WeakPolarHBondContact O-CB 3.35Å; Q434-Y438 PolarHBondContact O-N 3.46Å
435E52.5Low49.2Very low133 Ų133121.5 Ų121.562%0.62161%0.609SS**Hα-helixtrans-68.9-41.8170.5-75.2-87147.100112P431 Y438 L439P431-E435 VanDerWaalsContact O-CB 3.31Å; P431-E435 WeakPolarHBondContact O-CB 3.46Å; P431-E435 WeakPolarHBondContact O-CG 3.48Å; P431-E435 PolarHBondContact O-N 3.23Å; E435-Y438 PolarHBondContact O-N 3.43Å; E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 2.9Å
436L51.6Low50Low81 Ų81118.7 Ų118.742%0.42459%0.593SS.*Hα-helixtrans-66.1-41.4174.3-87.5151000111.4I432 Y438 L439 F440I432-L436 HydrophobicContact CG2-CD1 3.58Å; I432-L436 WeakPolarHBondContact O-CB 3.44Å; I432-L436 WeakPolarHBondContact O-CD1 3.44Å; I432-L436 WeakPolarHBondContact O-CG 3.35Å; I432-L436 PolarHBondContact O-N 2.92Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 PolarHBondContact O-N 3.42Å; L436-L439 PolarHBondContact O-N 3.47Å; L436-F440 HydrophobicContact CD2-CD2 4.37Å; L436-F440 HydrophobicContact CD2-CE2 4.14Å; L436-F440 WeakPolarHBondContact O-CB 3.44Å; L436-F440 WeakPolarHBondContact O-CD2 3.37Å; L436-F440 PolarHBondContact O-N 3.5Å
437A47.6Very low51.3Low50 Ų50110.8 Ų110.841%0.41356%0.561SS.*Hα-helixtrans-63.5-37.3174.800000111.3E433 F441E433-A437 WeakPolarHBondContact O-CB 3.31Å; E433-A437 PolarHBondContact O-N 3.31Å; A437-F441 WeakPolarHBondContact O-CB 3.21Å; A437-F441 PolarHBondContact O-N 2.98Å
438Y45.9Very low52.8Low143 Ų143109.5 Ų109.556%0.56155%0.548SS*.Hα-helixtrans-65.8-45.1173.1-160.7-99.6000111.4Q434 E435 L436 F440 F441 Q442Q434-Y438 WeakPolarHBondContact O-CB 3.35Å; Q434-Y438 PolarHBondContact O-N 3.46Å; E435-Y438 PolarHBondContact O-N 3.43Å; L436-Y438 VanDerWaalsContact C-N 3.29Å; L436-Y438 PolarHBondContact O-N 3.42Å; Y438-F440 PolarHBondContact O-N 3.28Å; Y438-F441 PolarHBondContact O-N 2.93Å; Y438-Q442 VanDerWaalsContact CE1-CD 3.45Å; Y438-Q442 VanDerWaalsContact CZ-CD 3.47Å; Y438-Q442 WeakPolarHBondContact O-CB 3.33Å; Y438-Q442 PolarHBondContact O-N 3.48Å; Y438-Q442 PolarHBondContact OH-NE2 3.48Å; Y438-Q442 PolarHBondContact OH-OE1 2.83Å
439L43.8Very low54Low100 Ų100103.3 Ų103.352%0.52452%0.516SS..Hα-helixtrans-63.6-37.2175.2-86.6153.6000113.3E435 L436E435-L439 WeakPolarHBondContact O-CB 3.39Å; E435-L439 PolarHBondContact O-N 2.9Å; L436-L439 PolarHBondContact O-N 3.47Å
440F45.7Very low55.3Low163 Ų16399.7 Ų99.772%0.71549%0.494SS*.Hα-helixtrans-74.9-26175.9-93.7-86.3000113.2L436 Y438L436-F440 HydrophobicContact CD2-CD2 4.37Å; L436-F440 HydrophobicContact CD2-CE2 4.14Å; L436-F440 WeakPolarHBondContact O-CB 3.44Å; L436-F440 WeakPolarHBondContact O-CD2 3.37Å; L436-F440 PolarHBondContact O-N 3.5Å; Y438-F440 PolarHBondContact O-N 3.28Å
441F46.8Very low56.7Low188 Ų18895.8 Ų95.883%0.82547%0.473SS*.Hα-helixtrans-88.8-19.1177.2-101.4-92000114.5A437 Y438A437-F441 WeakPolarHBondContact O-CB 3.21Å; A437-F441 PolarHBondContact O-N 2.98Å; Y438-F441 PolarHBondContact O-N 2.93Å
442Q44.4Very low57.9Low108 Ų10892.8 Ų92.851%0.50545%0.452SS..Hα-helixtrans-104.6-11.4-166.5-151.2131.1-30.500116.1Y438Y438-Q442 VanDerWaalsContact CE1-CD 3.45Å; Y438-Q442 VanDerWaalsContact CZ-CD 3.47Å; Y438-Q442 WeakPolarHBondContact O-CB 3.33Å; Y438-Q442 PolarHBondContact O-N 3.48Å; Y438-Q442 PolarHBondContact OH-NE2 3.48Å; Y438-Q442 PolarHBondContact OH-OE1 2.83Å
443L42.8Very low59.1Low109 Ų10988 Ų8857%0.57143%0.43SS*.SBendtrans-111.7103.1170.6-81.3136.6000108.2Q445L443-Q445 PolarHBondContact O-N 3.03Å
444P49Very low60.8Low52 Ų5282.7 Ų82.734%0.33841%0.405SS..  trans-53.4122.9164.824.6-31.9000106.1L446 T449P444-L446 PolarHBondContact O-N 3.36Å; P444-L446 VanDerWaalsContact O-N 3.1Å; P444-T449 HydrophobicContact CB-CG2 3.62Å; P444-T449 HydrophobicContact CG-CG2 3.44Å; P444-T449 VanDerWaalsContact CG-CG2 3.44Å
445Q58.2Low62.5Low131 Ų13176.3 Ų76.361%0.61238%0.376SS*.  trans-47.3128.5178.4-68.2-172.1-13.600106.5L443 D447 E448L443-Q445 PolarHBondContact O-N 3.03Å; Q445-D447 CarbonylContact O-C 3.5Å; Q445-D447 PolarHBondContact O-N 2.92Å; Q445-E448 WeakPolarHBondContact O-CA 3.44Å; Q445-E448 WeakPolarHBondContact O-CB 3.45Å; Q445-E448 PolarHBondContact O-N 3.22Å
446L59.7Low64.3Low87 Ų8771.8 Ų71.846%0.45536%0.355SS..Hα-helixtrans-48.7-26.4-172.8-160.982.5000112.5V362 P444 T449 R450V362-L446 HydrophobicContact CG1-CD1 4.4Å; P444-L446 PolarHBondContact O-N 3.36Å; P444-L446 VanDerWaalsContact O-N 3.1Å; L446-T449 PolarHBondContact O-OG1 2.98Å; L446-T449 VanDerWaalsContact O-OG1 3.06Å; L446-R450 PolarHBondContact O-N 2.91Å
447D67.7Low66.3Low54 Ų5468 Ų6829%0.28934%0.335SS..Hα-helixtrans-70.1-39.3173.9-62.3-46.8000113.1R364 Q445 R450 E451R364-D447 IonicContact NH1-OD1 3.72Å; R364-D447 IonicContact NH2-OD2 3.47Å; R364-D447 PolarHBondContact NH2-OD2 2.95Å; Q445-D447 CarbonylContact O-C 3.5Å; Q445-D447 PolarHBondContact O-N 2.92Å; D447-R450 PolarHBondContact O-N 3.47Å; D447-R450 IonicContact OD1-CZ 3.3Å; D447-R450 IonicContact OD1-NH1 2.68Å; D447-R450 IonicContact OD1-NH2 2.91Å; D447-R450 PolarHBondContact OD1-NH2 3.43Å; D447-E451 VanDerWaalsContact O-CG 3.29Å; D447-E451 WeakPolarHBondContact O-CG 3.4Å; D447-E451 PolarHBondContact O-N 3.24Å
448E71.5Confident68.6Low67 Ų6765.7 Ų65.731%0.31332%0.316SS..Hα-helixtrans-63.5-42.8175.6-76.1-165.5-172.800112.9K346 Q445 E451 N452K346-E448 IonicContact NZ-OE2 2.92Å; K346-E448 PolarHBondContact NZ-OE2 3.37Å; Q445-E448 WeakPolarHBondContact O-CA 3.44Å; Q445-E448 WeakPolarHBondContact O-CB 3.45Å; Q445-E448 PolarHBondContact O-N 3.22Å; E448-E451 PolarHBondContact O-N 3.2Å; E448-N452 WeakPolarHBondContact O-CB 3.49Å; E448-N452 PolarHBondContact O-N 3.38Å; E448-N452 PolarHBondContact O-ND2 3.4Å
449T73.5Confident70.9Confident33 Ų3359.4 Ų59.420%0.20229%0.293CS..Hα-helixtrans-65.9-41.3179.955.70000111.2P444 L446 N452 A453P444-T449 HydrophobicContact CB-CG2 3.62Å; P444-T449 HydrophobicContact CG-CG2 3.44Å; P444-T449 VanDerWaalsContact CG-CG2 3.44Å; L446-T449 PolarHBondContact O-OG1 2.98Å; L446-T449 VanDerWaalsContact O-OG1 3.06Å; T449-N452 PolarHBondContact O-N 3.46Å; T449-A453 WeakPolarHBondContact O-CB 3.14Å; T449-A453 PolarHBondContact O-N 3.28Å
450R78.7Confident73.4Confident42 Ų4256.4 Ų56.416%0.15828%0.28CS..Hα-helixtrans-63.2-45.3174.8-173.9-174.567.8-155.2-4.6111.9L166 L446 D447 N452 A453 N454 H516L166-R450 PolarHBondContact O-NH1 3.18Å; L446-R450 PolarHBondContact O-N 2.91Å; D447-R450 PolarHBondContact O-N 3.47Å; D447-R450 IonicContact OD1-CZ 3.3Å; D447-R450 IonicContact OD1-NH1 2.68Å; D447-R450 IonicContact OD1-NH2 2.91Å; D447-R450 PolarHBondContact OD1-NH2 3.43Å; R450-N452 VanDerWaalsContact C-N 3.35Å; R450-A453 PolarHBondContact O-N 3.12Å; R450-N454 PolarHBondContact O-N 3Å; R450-N454 PolarHBondContact O-ND2 3.1Å; R450-H516 HydrophobicContact CG-CB 4.49Å
451E82.3Confident75.8Confident20 Ų2048.7 Ų48.79%0.09325%0.246CC..Hα-helixtrans-64.1-41.8177.8-69.2-52.5130.200111.1R242 Y245 D447 E448 A453 N454 V455R242-E451 IonicContact CZ-OE2 3.76Å; R242-E451 IonicContact NH1-OE2 3.96Å; R242-E451 PolarHBondContact NH1-OE2 3.11Å; Y245-E451 HydrophobicContact CE1-CB 3.88Å; Y245-E451 HydrophobicContact CE2-CB 4.29Å; Y245-E451 HydrophobicContact CE2-CG 4.14Å; Y245-E451 WeakPolarHBondContact OH-CB 3.18Å; D447-E451 VanDerWaalsContact O-CG 3.29Å; D447-E451 WeakPolarHBondContact O-CG 3.4Å; D447-E451 PolarHBondContact O-N 3.24Å; E448-E451 PolarHBondContact O-N 3.2Å; E451-A453 PolarHBondContact O-N 2.9Å; E451-N454 WeakPolarHBondContact O-CB 3.33Å; E451-N454 PolarHBondContact O-N 3.32Å; E451-V455 WeakPolarHBondContact O-CG2 3.49Å; E451-V455 PolarHBondContact O-N 3.19Å
452N82.8Confident78.2Confident23 Ų2339.8 Ų39.812%0.12321%0.207CC..Hα-helixtrans-60.2-44.3174.4-70.5-25000111.9E448 T449 R450 N454 V455 I456E448-N452 WeakPolarHBondContact O-CB 3.49Å; E448-N452 PolarHBondContact O-N 3.38Å; E448-N452 PolarHBondContact O-ND2 3.4Å; T449-N452 PolarHBondContact O-N 3.46Å; R450-N452 VanDerWaalsContact C-N 3.35Å; N452-N454 VanDerWaalsContact C-N 3.34Å; N452-N454 PolarHBondContact O-N 3.08Å; N452-V455 PolarHBondContact O-N 3.46Å; N452-I456 WeakPolarHBondContact O-CG1 3.5Å; N452-I456 PolarHBondContact O-N 2.9Å
453A86Confident80.7Confident15 Ų1538.3 Ų38.312%0.12420%0.202CC..Hα-helixtrans-59.3-44174.300000111.5T449 R450 E451 V455 I456 T457T449-A453 WeakPolarHBondContact O-CB 3.14Å; T449-A453 PolarHBondContact O-N 3.28Å; R450-A453 PolarHBondContact O-N 3.12Å; E451-A453 PolarHBondContact O-N 2.9Å; A453-V455 VanDerWaalsContact C-N 3.3Å; A453-V455 PolarHBondContact O-N 3.19Å; A453-I456 PolarHBondContact O-N 3.32Å; A453-T457 PolarHBondContact O-N 3.18Å; A453-T457 PolarHBondContact O-OG1 3.18Å
454N89.9Confident83.3Confident3 Ų335 Ų352%0.01619%0.185CC..Hα-helixtrans-61.7-35.6176.1-73.8-26.3000112.8A171 R450 E451 N452 A458 H516 Y517A171-N454 HydrophobicContact CB-CB 4.33Å; R450-N454 PolarHBondContact O-N 3Å; R450-N454 PolarHBondContact O-ND2 3.1Å; E451-N454 WeakPolarHBondContact O-CB 3.33Å; E451-N454 PolarHBondContact O-N 3.32Å; N452-N454 VanDerWaalsContact C-N 3.34Å; N452-N454 PolarHBondContact O-N 3.08Å; N454-A458 WeakPolarHBondContact O-CB 3.33Å; N454-A458 PolarHBondContact O-N 2.91Å; N454-H516 PolarHBondContact OD1-CE1 3.2Å; N454-H516 PolarHBondContact OD1-NE2 3.29Å; N454-H516 VanDerWaalsContact OD1-NE2 3.14Å; N454-Y517 PolarHBondContact OD1-OH 3.34Å
455V91.4Very high85.5Confident1 Ų132.5 Ų32.51%0.00617%0.168CC..Hα-helixtrans-68-44174.7-169.50000110.5R242 Y245 L246 I335 M339 E451 N452 A453 T457 A458 V459R242-V455 HydrophobicContact CB-CG1 4.01Å; R242-V455 HydrophobicContact CB-CG2 4.21Å; R242-V455 HydrophobicContact CG-CG1 4.49Å; R242-V455 HydrophobicContact CG-CG2 4.36Å; Y245-V455 HydrophobicContact CD1-CG2 4.31Å; L246-V455 HydrophobicContact CD1-CG1 4.19Å; I335-V455 HydrophobicContact CG2-CG1 3.67Å; M339-V455 HydrophobicContact CE-CB 3.48Å; M339-V455 VanDerWaalsContact CE-CB 3.48Å; M339-V455 HydrophobicContact CE-CG1 2.97Å; E451-V455 WeakPolarHBondContact O-CG2 3.49Å; E451-V455 PolarHBondContact O-N 3.19Å; N452-V455 PolarHBondContact O-N 3.46Å; A453-V455 VanDerWaalsContact C-N 3.3Å; A453-V455 PolarHBondContact O-N 3.19Å; V455-T457 VanDerWaalsContact C-N 3.34Å; V455-T457 PolarHBondContact O-N 2.91Å; V455-A458 WeakPolarHBondContact O-CB 3.21Å; V455-A458 PolarHBondContact O-N 3.19Å; V455-V459 WeakPolarHBondContact O-CG2 3.24Å; V455-V459 PolarHBondContact O-N 2.58Å
456I91.8Very high87.4Confident38 Ų3827.5 Ų27.520%0.19515%0.146CC..Hα-helixtrans-61.3-44.9176.5-61.2168.7000110.2M339 W347 N452 A453 A458 V459 C460 V513M339-I456 HydrophobicContact CE-CG1 4.33Å; W347-I456 HydrophobicContact CH2-CD1 3.67Å; W347-I456 HydrophobicContact CH2-CG1 3.89Å; W347-I456 HydrophobicContact CZ3-CD1 3.66Å; W347-I456 HydrophobicContact CZ3-CG1 4.37Å; N452-I456 WeakPolarHBondContact O-CG1 3.5Å; N452-I456 PolarHBondContact O-N 2.9Å; A453-I456 PolarHBondContact O-N 3.32Å; I456-A458 VanDerWaalsContact C-N 3.33Å; I456-A458 PolarHBondContact O-N 3.36Å; I456-V459 PolarHBondContact O-N 3.21Å; I456-C460 PolarHBondContact O-N 2.87Å; I456-C460 PolarHBondContact O-SG 3.47Å; I456-C460 VanDerWaalsContact O-SG 3.36Å; I456-V513 HydrophobicContact CB-CG1 4.01Å; I456-V513 HydrophobicContact CG2-CG1 3.64Å
457T92.9Very high89.1Confident1 Ų129 Ų291%0.00615%0.153CC..Hα-helixtrans-56.6-45.6174.7-58.40000111.4A453 V455 V459 C460 I461 I509A453-T457 PolarHBondContact O-N 3.18Å; A453-T457 PolarHBondContact O-OG1 3.18Å; V455-T457 VanDerWaalsContact C-N 3.34Å; V455-T457 PolarHBondContact O-N 2.91Å; T457-V459 PolarHBondContact O-N 2.89Å; T457-C460 PolarHBondContact O-N 3.4Å; T457-I461 HydrophobicContact CG2-CD1 3.9Å; T457-I461 HydrophobicContact CG2-CG1 4.46Å; T457-I461 VanDerWaalsContact O-CG1 3.31Å; T457-I461 WeakPolarHBondContact O-CG1 3.5Å; T457-I461 PolarHBondContact O-N 3.42Å; T457-I509 HydrophobicContact CG2-CG2 4.45Å
458A95Very high90.4Very high1 Ų126.8 Ų26.81%0.00814%0.142CC..Hα-helixtrans-61.7-42.8177.300000112.4L238 L239 R242 N454 V455 I456 I461 G462L238-A458 HydrophobicContact CD1-CB 4.35Å; L238-A458 HydrophobicContact CD2-CB 3.83Å; L238-A458 HydrophobicContact CG-CB 3.8Å; L239-A458 HydrophobicContact CD2-CB 4.28Å; R242-A458 HydrophobicContact CG-CB 3.86Å; N454-A458 WeakPolarHBondContact O-CB 3.33Å; N454-A458 PolarHBondContact O-N 2.91Å; V455-A458 WeakPolarHBondContact O-CB 3.21Å; V455-A458 PolarHBondContact O-N 3.19Å; I456-A458 VanDerWaalsContact C-N 3.33Å; I456-A458 PolarHBondContact O-N 3.36Å; A458-I461 PolarHBondContact O-N 3.14Å; A458-G462 PolarHBondContact O-N 2.95Å
459V95.5Very high91.5Very high12 Ų1223.9 Ų23.97%0.07313%0.128CC..Hα-helixtrans-61.9-45.9175.5170.60000110.9I332 I335 V336 M339 V455 I456 T457 I461 G462 L463I332-V459 HydrophobicContact CG2-CG1 4.15Å; I335-V459 HydrophobicContact CB-CG2 4.31Å; I335-V459 HydrophobicContact CG2-CG2 3.53Å; V336-V459 HydrophobicContact CG2-CG1 3.95Å; M339-V459 HydrophobicContact CE-CG2 4.47Å; V455-V459 WeakPolarHBondContact O-CG2 3.24Å; V455-V459 PolarHBondContact O-N 2.58Å; I456-V459 PolarHBondContact O-N 3.21Å; T457-V459 PolarHBondContact O-N 2.89Å; V459-I461 PolarHBondContact O-N 3.33Å; V459-G462 PolarHBondContact O-N 3.08Å; V459-L463 HydrophobicContact CG1-CD1 4.15Å; V459-L463 HydrophobicContact CG1-CG 4.45Å; V459-L463 WeakPolarHBondContact O-CG 3.44Å; V459-L463 PolarHBondContact O-N 3.18Å
460C95.9Very high92.5Very high37 Ų3725.8 Ų25.825%0.2514%0.136CC..Hα-helixtrans-62.2-43.4177.5-69.30000112.2I456 T457 G462 L463 I464 I509I456-C460 PolarHBondContact O-N 2.87Å; I456-C460 PolarHBondContact O-SG 3.47Å; I456-C460 VanDerWaalsContact O-SG 3.36Å; T457-C460 PolarHBondContact O-N 3.4Å; C460-G462 VanDerWaalsContact C-N 3.33Å; C460-G462 PolarHBondContact O-N 2.98Å; C460-L463 PolarHBondContact O-N 3.4Å; C460-I464 WeakPolarHBondContact O-CG1 3.43Å; C460-I464 PolarHBondContact O-N 3.34Å; C460-I509 HydrophobicContact CB-CD1 4.45Å; C460-I509 HydrophobicContact CB-CG2 3.41Å; C460-I509 VanDerWaalsContact CB-CG2 3.41Å
461I96.6Very high93.2Very high1 Ų126.1 Ų26.11%0.00514%0.144CC..Hα-helixtrans-60.7-44.6174.9-68.9169.6000110.6L175 T235 T457 A458 V459 L463 I464 L465 K506 I509L175-I461 HydrophobicContact CD2-CD1 3.52Å; T235-I461 HydrophobicContact CG2-CG2 4.04Å; T457-I461 HydrophobicContact CG2-CD1 3.9Å; T457-I461 HydrophobicContact CG2-CG1 4.46Å; T457-I461 VanDerWaalsContact O-CG1 3.31Å; T457-I461 WeakPolarHBondContact O-CG1 3.5Å; T457-I461 PolarHBondContact O-N 3.42Å; A458-I461 PolarHBondContact O-N 3.14Å; V459-I461 PolarHBondContact O-N 3.33Å; I461-L463 VanDerWaalsContact C-N 3.34Å; I461-L463 PolarHBondContact O-N 3.5Å; I461-I464 PolarHBondContact O-N 3.39Å; I461-L465 PolarHBondContact O-N 3.08Å; I461-K506 HydrophobicContact CG1-CG 4.31Å; I461-K506 HydrophobicContact CG2-CD 4.07Å; I461-K506 HydrophobicContact CG2-CG 4.07Å; I461-I509 HydrophobicContact CG1-CD1 3.96Å; I461-I509 HydrophobicContact CG1-CG2 4.47Å
462G96.9Very high93.6Very high0 Ų026.3 Ų26.30%014%0.144CC..Hα-helixtrans-61.1-39.9175.700000113A458 V459 C460 L465 L466A458-G462 PolarHBondContact O-N 2.95Å; V459-G462 PolarHBondContact O-N 3.08Å; C460-G462 VanDerWaalsContact C-N 3.33Å; C460-G462 PolarHBondContact O-N 2.98Å; G462-L465 WeakPolarHBondContact O-CB 3.22Å; G462-L465 PolarHBondContact O-N 3.17Å; G462-L466 WeakPolarHBondContact O-CG 3.41Å; G462-L466 PolarHBondContact O-N 2.89Å
463L96.7Very high94Very high77 Ų7727.3 Ų27.340%0.40315%0.148SC..Hα-helixtrans-64.9-43.2175.4-73.9172.5000111.9I332 V459 C460 I461 L465 L466 I467I332-L463 HydrophobicContact CD1-CD2 4.29Å; I332-L463 HydrophobicContact CD1-CG 4.36Å; I332-L463 HydrophobicContact CG2-CD2 4.05Å; I332-L463 HydrophobicContact CG2-CG 4.39Å; V459-L463 HydrophobicContact CG1-CD1 4.15Å; V459-L463 HydrophobicContact CG1-CG 4.45Å; V459-L463 WeakPolarHBondContact O-CG 3.44Å; V459-L463 PolarHBondContact O-N 3.18Å; C460-L463 PolarHBondContact O-N 3.4Å; I461-L463 VanDerWaalsContact C-N 3.34Å; I461-L463 PolarHBondContact O-N 3.5Å; L463-L465 VanDerWaalsContact C-N 3.3Å; L463-L465 PolarHBondContact O-N 2.83Å; L463-L466 PolarHBondContact O-N 2.65Å; L463-I467 VanDerWaalsContact O-CG1 3.29Å; L463-I467 WeakPolarHBondContact O-CG1 3.43Å; L463-I467 PolarHBondContact O-N 3.19Å
464I96.5Very high94.3Very high40 Ų4031.1 Ų31.121%0.20517%0.166CC..Hα-helixtrans-64.2-38.2175.1-61.1-158.4000110.6C460 I461 L466 I467 C468 F502 C505 I509C460-I464 WeakPolarHBondContact O-CG1 3.43Å; C460-I464 PolarHBondContact O-N 3.34Å; I461-I464 PolarHBondContact O-N 3.39Å; I464-L466 VanDerWaalsContact C-N 3.33Å; I464-L466 PolarHBondContact O-N 2.96Å; I464-I467 PolarHBondContact O-N 3.37Å; I464-C468 WeakPolarHBondContact O-CB 3.5Å; I464-C468 PolarHBondContact O-N 2.99Å; I464-C468 PolarHBondContact O-SG 3.12Å; I464-F502 HydrophobicContact CG2-CD2 3.92Å; I464-C505 HydrophobicContact CD1-CB 4.23Å; I464-C505 HydrophobicContact CG2-CB 4.48Å; I464-I509 HydrophobicContact CB-CD1 4.23Å; I464-I509 HydrophobicContact CD1-CD1 3.16Å; I464-I509 HydrophobicContact CD1-CG1 3.62Å; I464-I509 HydrophobicContact CG1-CD1 3.64Å
465L96.5Very high94.3Very high0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-55.1-50.6173-173.5160.1000110.4V232 T235 Y325 I461 G462 L463 I467 C468 K469 F502V232-L465 HydrophobicContact CB-CD1 4.44Å; V232-L465 HydrophobicContact CG1-CD1 4.34Å; V232-L465 HydrophobicContact CG2-CD1 4.23Å; T235-L465 HydrophobicContact CG2-CD1 3.7Å; Y325-L465 HydrophobicContact CD1-CD2 3.69Å; Y325-L465 HydrophobicContact CE1-CD2 3.95Å; I461-L465 PolarHBondContact O-N 3.08Å; G462-L465 WeakPolarHBondContact O-CB 3.22Å; G462-L465 PolarHBondContact O-N 3.17Å; L463-L465 VanDerWaalsContact C-N 3.3Å; L463-L465 PolarHBondContact O-N 2.83Å; L465-I467 PolarHBondContact O-N 3.21Å; L465-C468 PolarHBondContact O-N 3.39Å; L465-K469 HydrophobicContact CD2-CB 4.34Å; L465-K469 HydrophobicContact CD2-CG 4.22Å; L465-K469 HydrophobicContact CG-CG 4.22Å; L465-K469 WeakPolarHBondContact O-CB 3.43Å; L465-K469 VanDerWaalsContact O-CG 3.25Å; L465-K469 WeakPolarHBondContact O-CG 3.38Å; L465-K469 PolarHBondContact O-N 2.96Å; L465-F502 VanDerWaalsContact CA-CE2 3.49Å; L465-F502 HydrophobicContact CB-CD2 4.44Å; L465-F502 HydrophobicContact CB-CE2 3.59Å; L465-F502 HydrophobicContact CB-CZ 3.75Å; L465-F502 HydrophobicContact CD1-CZ 3.91Å; L465-F502 HydrophobicContact CG-CE1 4.49Å; L465-F502 HydrophobicContact CG-CE2 4.22Å; L465-F502 HydrophobicContact CG-CZ 3.91Å
466L96.6Very high94.1Very high25 Ų2534 Ų3413%0.13118%0.18CC..Hα-helixtrans-62.2-45178.8-66.9179.7000112.1C328 I332 G462 L463 I464 C468 K469 I470C328-L466 HydrophobicContact CB-CD2 4.12Å; I332-L466 HydrophobicContact CD1-CD1 3.77Å; I332-L466 HydrophobicContact CD1-CG 4.41Å; G462-L466 WeakPolarHBondContact O-CG 3.41Å; G462-L466 PolarHBondContact O-N 2.89Å; L463-L466 PolarHBondContact O-N 2.65Å; I464-L466 VanDerWaalsContact C-N 3.33Å; I464-L466 PolarHBondContact O-N 2.96Å; L466-C468 VanDerWaalsContact C-N 3.35Å; L466-C468 PolarHBondContact O-N 3.47Å; L466-K469 PolarHBondContact O-N 3.31Å; L466-I470 HydrophobicContact CB-CD1 3.86Å; L466-I470 HydrophobicContact CB-CG1 4.41Å; L466-I470 HydrophobicContact CD2-CD1 4.15Å; L466-I470 HydrophobicContact CD2-CG1 4.4Å; L466-I470 HydrophobicContact CG-CD1 4.5Å; L466-I470 WeakPolarHBondContact O-CB 3.29Å; L466-I470 WeakPolarHBondContact O-CD1 3.48Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 2.86Å
467I96.5Very high93.9Very high119 Ų11935 Ų3561%0.6119%0.187SC*.Hα-helixtrans-61.9-42-180-68.9165.5000111.4L463 I464 L465 P471L463-I467 VanDerWaalsContact O-CG1 3.29Å; L463-I467 WeakPolarHBondContact O-CG1 3.43Å; L463-I467 PolarHBondContact O-N 3.19Å; I464-I467 PolarHBondContact O-N 3.37Å; L465-I467 PolarHBondContact O-N 3.21Å; I467-P471 WeakPolarHBondContact O-CD 3.29Å; I467-P471 VanDerWaalsContact O-CG 3.3Å; I467-P471 WeakPolarHBondContact O-CG 3.44Å
468C95.7Very high93.7Very high8 Ų837.5 Ų37.55%0.05420%0.2CC..Hα-helixtrans-80.3-33.8-178.9-680000112.8I464 L465 L466 F502I464-C468 WeakPolarHBondContact O-CB 3.5Å; I464-C468 PolarHBondContact O-N 2.99Å; I464-C468 PolarHBondContact O-SG 3.12Å; L465-C468 PolarHBondContact O-N 3.39Å; L466-C468 VanDerWaalsContact C-N 3.35Å; L466-C468 PolarHBondContact O-N 3.47Å; C468-F502 HydrophobicContact CB-CB 3.99Å
469K94.1Very high93.2Very high5 Ų538.6 Ų38.62%0.02221%0.208CC..Hα-helixtrans-99.5-26.1-169.9-62-72-169.9169.70114.9E228 Y325 L465 L466 K472 F473 D499E228-K469 IonicContact OE2-NZ 3.15Å; Y325-K469 HydrophobicContact CD1-CB 4.33Å; Y325-K469 HydrophobicContact CE1-CB 3.66Å; Y325-K469 HydrophobicContact CE1-CG 4.1Å; Y325-K469 HydrophobicContact CE2-CB 3.87Å; Y325-K469 VanDerWaalsContact CZ-CB 3.43Å; L465-K469 HydrophobicContact CD2-CB 4.34Å; L465-K469 HydrophobicContact CD2-CG 4.22Å; L465-K469 HydrophobicContact CG-CG 4.22Å; L465-K469 WeakPolarHBondContact O-CB 3.43Å; L465-K469 VanDerWaalsContact O-CG 3.25Å; L465-K469 WeakPolarHBondContact O-CG 3.38Å; L465-K469 PolarHBondContact O-N 2.96Å; L466-K469 PolarHBondContact O-N 3.31Å; K469-K472 HydrophobicContact CD-CD 4.49Å; K469-K472 WeakPolarHBondContact O-CB 3.42Å; K469-K472 PolarHBondContact O-N 2.89Å; K469-F473 PolarHBondContact O-N 3.5Å; K469-D499 WeakPolarHBondContact CE-OD1 3.26Å; K469-D499 IonicContact NZ-OD1 3.81Å; K469-D499 PolarHBondContact NZ-OD1 2.91Å
470I93.7Very high92.7Very high73 Ų7341.1 Ų41.137%0.37422%0.223SC..Hα-helixtrans-59.6-44.4173.5-69.8171.1000111.2L466 K472 F473 L474L466-I470 HydrophobicContact CB-CD1 3.86Å; L466-I470 HydrophobicContact CB-CG1 4.41Å; L466-I470 HydrophobicContact CD2-CD1 4.15Å; L466-I470 HydrophobicContact CD2-CG1 4.4Å; L466-I470 HydrophobicContact CG-CD1 4.5Å; L466-I470 WeakPolarHBondContact O-CB 3.29Å; L466-I470 WeakPolarHBondContact O-CD1 3.48Å; L466-I470 WeakPolarHBondContact O-CG1 3.42Å; L466-I470 PolarHBondContact O-N 2.86Å; I470-K472 VanDerWaalsContact C-N 3.31Å; I470-K472 PolarHBondContact O-N 3.19Å; I470-F473 WeakPolarHBondContact O-CB 3.34Å; I470-F473 PolarHBondContact O-N 3.25Å; I470-F473 VanDerWaalsContact O-N 3.15Å; I470-L474 HydrophobicContact CG2-CD1 4Å; I470-L474 HydrophobicContact CG2-CG 4.23Å; I470-L474 WeakPolarHBondContact O-CG 3.35Å; I470-L474 PolarHBondContact O-N 3.42Å
471P93.2Very high92.1Very high49 Ų4944.5 Ų44.532%0.31824%0.235SC..Hα-helixtrans-57.9-41.4174.6-25.835.6000112.8I467 F473 L474 L475 L498I467-P471 WeakPolarHBondContact O-CD 3.29Å; I467-P471 VanDerWaalsContact O-CG 3.3Å; I467-P471 WeakPolarHBondContact O-CG 3.44Å; P471-F473 VanDerWaalsContact C-N 3.35Å; P471-F473 PolarHBondContact O-N 3.34Å; P471-L474 PolarHBondContact O-N 2.91Å; P471-L475 WeakPolarHBondContact O-CB 3.24Å; P471-L475 VanDerWaalsContact O-CG 3.24Å; P471-L475 WeakPolarHBondContact O-CG 3.13Å; P471-L475 PolarHBondContact O-N 3.48Å; P471-L498 HydrophobicContact CB-CD1 4.02Å
472K91.7Very high91.4Very high24 Ų2450.5 Ų50.510%0.10427%0.267CS..Hα-helixtrans-59.2-43.3174.9177.1169.6-176174.10111.8E228 K469 I470 H476 N495 D499E228-K472 IonicContact OE2-NZ 2.8Å; E228-K472 PolarHBondContact OE2-NZ 3.41Å; K469-K472 HydrophobicContact CD-CD 4.49Å; K469-K472 WeakPolarHBondContact O-CB 3.42Å; K469-K472 PolarHBondContact O-N 2.89Å; I470-K472 VanDerWaalsContact C-N 3.31Å; I470-K472 PolarHBondContact O-N 3.19Å; K472-H476 WeakPolarHBondContact O-CB 3.42Å; K472-H476 PolarHBondContact O-N 3.45Å; K472-N495 WeakPolarHBondContact CG-OD1 3.46Å; K472-D499 IonicContact NZ-OD1 3.82Å; K472-D499 PolarHBondContact NZ-OD1 3.24Å; K472-D499 IonicContact NZ-OD2 2.73Å; K472-D499 PolarHBondContact NZ-OD2 3.19Å
473F91.7Very high90.5Very high45 Ų4558.1 Ų58.120%0.19730%0.297CS..Hα-helixtrans-63.3-47.3174.8174.8-109.9000112.4V317 M321 F322 Y325 K469 I470 P471 L475 H476 V477V317-F473 HydrophobicContact CG1-CE2 4.21Å; M321-F473 HydrophobicContact CB-CD2 3.69Å; M321-F473 HydrophobicContact CB-CE2 4.4Å; M321-F473 HydrophobicContact SD-CB 4.42Å; M321-F473 HydrophobicContact SD-CD2 4.06Å; F322-F473 HydrophobicContact CB-CE2 4.39Å; F322-F473 HydrophobicContact CD2-CZ 4.13Å; Y325-F473 HydrophobicContact CD2-CB 4.2Å; Y325-F473 HydrophobicContact CE2-CB 3.98Å; K469-F473 PolarHBondContact O-N 3.5Å; I470-F473 WeakPolarHBondContact O-CB 3.34Å; I470-F473 PolarHBondContact O-N 3.25Å; I470-F473 VanDerWaalsContact O-N 3.15Å; P471-F473 VanDerWaalsContact C-N 3.35Å; P471-F473 PolarHBondContact O-N 3.34Å; F473-L475 PolarHBondContact O-N 2.62Å; F473-H476 PolarHBondContact O-N 3.14Å; F473-V477 HydrophobicContact CD2-CG2 4.2Å; F473-V477 HydrophobicContact CE1-CG2 4.13Å; F473-V477 HydrophobicContact CE2-CG2 3.79Å; F473-V477 HydrophobicContact CZ-CG2 3.75Å; F473-V477 WeakPolarHBondContact O-CG2 3.13Å; F473-V477 PolarHBondContact O-N 3.33Å
474L91.9Very high89.9Confident95 Ų9559.2 Ų59.250%0.49730%0.302SS..Hα-helixtrans-62.1-44.1178.7-68.7175.4000111.6I470 P471 H476 V477 I478I470-L474 HydrophobicContact CG2-CD1 4Å; I470-L474 HydrophobicContact CG2-CG 4.23Å; I470-L474 WeakPolarHBondContact O-CG 3.35Å; I470-L474 PolarHBondContact O-N 3.42Å; P471-L474 PolarHBondContact O-N 2.91Å; L474-H476 VanDerWaalsContact C-N 3.31Å; L474-H476 PolarHBondContact O-N 3.32Å; L474-V477 PolarHBondContact O-N 2.92Å; L474-I478 WeakPolarHBondContact O-CB 3.39Å; L474-I478 WeakPolarHBondContact O-CD1 3.5Å; L474-I478 WeakPolarHBondContact O-CG1 3.32Å; L474-I478 PolarHBondContact O-N 3.36Å
475L89.5Confident89.1Confident33 Ų3364.3 Ų64.317%0.17334%0.336CS..Hα-helixtrans-60.2-42.4175.2-72.1171.5000111.2P471 F473 I478 S479 F491 I494P471-L475 WeakPolarHBondContact O-CB 3.24Å; P471-L475 VanDerWaalsContact O-CG 3.24Å; P471-L475 WeakPolarHBondContact O-CG 3.13Å; P471-L475 PolarHBondContact O-N 3.48Å; F473-L475 PolarHBondContact O-N 2.62Å; L475-I478 PolarHBondContact O-N 3.48Å; L475-S479 WeakPolarHBondContact O-CB 3.32Å; L475-S479 PolarHBondContact O-N 3.42Å; L475-F491 HydrophobicContact CB-CD2 4.08Å; L475-F491 HydrophobicContact CB-CE2 3.96Å; L475-F491 HydrophobicContact CD2-CD1 4.38Å; L475-F491 HydrophobicContact CD2-CD2 4.37Å; L475-F491 HydrophobicContact CD2-CE1 3.87Å; L475-F491 HydrophobicContact CD2-CE2 3.86Å; L475-F491 HydrophobicContact CD2-CZ 3.58Å; L475-F491 HydrophobicContact CG-CE2 4.5Å; L475-F491 WeakPolarHBondContact O-CE2 3.32Å; L475-I494 HydrophobicContact CD1-CB 4.42Å; L475-I494 HydrophobicContact CD1-CG2 3.76Å
476H87.4Confident88.4Confident31 Ų3167.7 Ų67.714%0.14435%0.349CS..Hα-helixtrans-64.2-45.5177.2-175.357.8000112.3V317 M321 K472 F473 L474 I478 S479 T480V317-H476 VanDerWaalsContact CG2-NE2 3.26Å; V317-H476 WeakPolarHBondContact CG2-NE2 3.39Å; M321-H476 HydrophobicContact CE-CB 4.29Å; M321-H476 HydrophobicContact SD-CB 4.15Å; K472-H476 WeakPolarHBondContact O-CB 3.42Å; K472-H476 PolarHBondContact O-N 3.45Å; F473-H476 PolarHBondContact O-N 3.14Å; L474-H476 VanDerWaalsContact C-N 3.31Å; L474-H476 PolarHBondContact O-N 3.32Å; H476-I478 PolarHBondContact O-N 3.03Å; H476-S479 WeakPolarHBondContact O-CB 3.15Å; H476-S479 PolarHBondContact O-N 2.84Å; H476-S479 VanDerWaalsContact O-N 3.13Å; H476-T480 PolarHBondContact O-N 3.3Å; H476-T480 PolarHBondContact O-OG1 2.79Å; H476-T480 VanDerWaalsContact O-OG1 3.05Å
477V88Confident87.8Confident59 Ų5968 Ų6836%0.35835%0.351SS..Hα-helixtrans-61.6-43.4176.8172.70000111.7F473 L474 S479 T480 E481F473-V477 HydrophobicContact CD2-CG2 4.2Å; F473-V477 HydrophobicContact CE1-CG2 4.13Å; F473-V477 HydrophobicContact CE2-CG2 3.79Å; F473-V477 HydrophobicContact CZ-CG2 3.75Å; F473-V477 WeakPolarHBondContact O-CG2 3.13Å; F473-V477 PolarHBondContact O-N 3.33Å; L474-V477 PolarHBondContact O-N 2.92Å; V477-S479 VanDerWaalsContact C-N 3.25Å; V477-S479 PolarHBondContact O-N 2.88Å; V477-T480 PolarHBondContact O-N 2.9Å; V477-E481 PolarHBondContact O-N 2.77Å
478I88.6Confident87.3Confident53 Ų5366 Ų6627%0.27235%0.345SS..Hα-helixtrans-62.4-37.7176-68.8165.2000110.9L474 L475 H476 N482 Y483 I484L474-I478 WeakPolarHBondContact O-CB 3.39Å; L474-I478 WeakPolarHBondContact O-CD1 3.5Å; L474-I478 WeakPolarHBondContact O-CG1 3.32Å; L474-I478 PolarHBondContact O-N 3.36Å; L475-I478 PolarHBondContact O-N 3.48Å; H476-I478 PolarHBondContact O-N 3.03Å; I478-N482 PolarHBondContact O-N 3.06Å; I478-Y483 PolarHBondContact O-N 3.04Å; I478-I484 HydrophobicContact CG2-CB 4.18Å; I478-I484 HydrophobicContact CG2-CD1 3.82Å; I478-I484 HydrophobicContact CG2-CG1 3.95Å
479S84.9Confident86.7Confident25 Ų2566.2 Ų66.218%0.17535%0.345CS..Hα-helixtrans-68.7-45.1179.7160.70000112.4L475 H476 V477 N482 Y486L475-S479 WeakPolarHBondContact O-CB 3.32Å; L475-S479 PolarHBondContact O-N 3.42Å; H476-S479 WeakPolarHBondContact O-CB 3.15Å; H476-S479 PolarHBondContact O-N 2.84Å; H476-S479 VanDerWaalsContact O-N 3.13Å; V477-S479 VanDerWaalsContact C-N 3.25Å; V477-S479 PolarHBondContact O-N 2.88Å; S479-N482 PolarHBondContact O-N 3.17Å; S479-Y486 WeakPolarHBondContact CB-OH 3.4Å; S479-Y486 PolarHBondContact O-OH 3.22Å; S479-Y486 VanDerWaalsContact OG-CZ 3.24Å; S479-Y486 PolarHBondContact OG-OH 2.61Å
480T83.4Confident86.4Confident64 Ų6468.6 Ų68.639%0.39336%0.361SS..Hα-helixtrans-67-37.7-178.3-570000112.5H476 V477 N482H476-T480 PolarHBondContact O-N 3.3Å; H476-T480 PolarHBondContact O-OG1 2.79Å; H476-T480 VanDerWaalsContact O-OG1 3.05Å; V477-T480 PolarHBondContact O-N 2.9Å; T480-N482 VanDerWaalsContact C-N 3.3Å; T480-N482 PolarHBondContact O-N 3.24Å
481E83.9Confident86.2Confident109 Ų10966.7 Ų66.751%0.50935%0.349SS..THydrogen-bonded Turntrans-85.3-0.4-178.6-70.9-76.2150.600113.6V477 Y483V477-E481 PolarHBondContact O-N 2.77Å; E481-Y483 HydrophobicContact CB-CD1 4.38Å; E481-Y483 HydrophobicContact CB-CD2 3.39Å; E481-Y483 HydrophobicContact CB-CE1 4.14Å; E481-Y483 HydrophobicContact CB-CE2 3.13Å; E481-Y483 HydrophobicContact CB-CG 4.01Å; E481-Y483 HydrophobicContact CG-CD2 4.22Å; E481-Y483 HydrophobicContact CG-CE2 3.5Å; E481-Y483 PolarHBondContact O-N 3.37Å; E481-Y483 VanDerWaalsContact O-N 3.14Å; E481-Y483 PolarHBondContact OE2-OH 3.01Å; E481-Y483 VanDerWaalsContact OE2-OH 3.07Å
482N81.2Confident86Confident126 Ų12667.2 Ų67.267%0.67435%0.345SS*.THydrogen-bonded Turntrans51.233.3-176.5-64.9-55.5000113.8I478 S479 T480 I484I478-N482 PolarHBondContact O-N 3.06Å; S479-N482 PolarHBondContact O-N 3.17Å; T480-N482 VanDerWaalsContact C-N 3.3Å; T480-N482 PolarHBondContact O-N 3.24Å; N482-I484 PolarHBondContact O-N 3.07Å
483Y79.2Confident85.9Confident161 Ų16166.8 Ų66.863%0.63134%0.344SS*.  trans-66.3-23.4-178.8-72.3-51.9000113.2I478 E481I478-Y483 PolarHBondContact O-N 3.04Å; E481-Y483 HydrophobicContact CB-CD1 4.38Å; E481-Y483 HydrophobicContact CB-CD2 3.39Å; E481-Y483 HydrophobicContact CB-CE1 4.14Å; E481-Y483 HydrophobicContact CB-CE2 3.13Å; E481-Y483 HydrophobicContact CB-CG 4.01Å; E481-Y483 HydrophobicContact CG-CD2 4.22Å; E481-Y483 HydrophobicContact CG-CE2 3.5Å; E481-Y483 PolarHBondContact O-N 3.37Å; E481-Y483 VanDerWaalsContact O-N 3.14Å; E481-Y483 PolarHBondContact OE2-OH 3.01Å; E481-Y483 VanDerWaalsContact OE2-OH 3.07Å
484I83.4Confident86Confident99 Ų9967.6 Ų67.651%0.50835%0.349SS..SBendtrans-135.5143.1-176.4-56.3-179.4000108I478 N482 Y486I478-I484 HydrophobicContact CG2-CB 4.18Å; I478-I484 HydrophobicContact CG2-CD1 3.82Å; I478-I484 HydrophobicContact CG2-CG1 3.95Å; N482-I484 PolarHBondContact O-N 3.07Å; I484-Y486 WeakPolarHBondContact O-CD1 3.33Å; I484-Y486 PolarHBondContact O-N 3.02Å
485T80.8Confident86Confident147 Ų14764.8 Ų64.890%0.90234%0.335SS*.  trans-74.9109.2164.345.60000108.5
486Y81.5Confident86.2Confident71 Ų7164.3 Ų64.328%0.27833%0.332SS..  trans-119.8153.8179.860.7-85.2000111.1S479 I484 P488 F491S479-Y486 WeakPolarHBondContact CB-OH 3.4Å; S479-Y486 PolarHBondContact O-OH 3.22Å; S479-Y486 VanDerWaalsContact OG-CZ 3.24Å; S479-Y486 PolarHBondContact OG-OH 2.61Å; I484-Y486 WeakPolarHBondContact O-CD1 3.33Å; I484-Y486 PolarHBondContact O-N 3.02Å; Y486-P488 HydrophobicContact CE2-CB 4.48Å; Y486-P488 WeakPolarHBondContact O-CD 3.36Å; Y486-F491 HydrophobicContact CD1-CE2 4.3Å; Y486-F491 HydrophobicContact CD1-CZ 4.22Å; Y486-F491 HydrophobicContact CD2-CD1 4.05Å; Y486-F491 AromaticContact CD2-CD2 3.82Å; Y486-F491 HydrophobicContact CD2-CD2 3.82Å; Y486-F491 HydrophobicContact CD2-CE1 4.09Å; Y486-F491 AromaticContact CD2-CE2 3.85Å; Y486-F491 HydrophobicContact CD2-CE2 3.85Å; Y486-F491 AromaticContact CD2-CG 3.92Å; Y486-F491 HydrophobicContact CD2-CG 3.92Å; Y486-F491 AromaticContact CD2-CZ 3.99Å; Y486-F491 HydrophobicContact CD2-CZ 3.99Å; Y486-F491 HydrophobicContact CE2-CD2 4.07Å; Y486-F491 HydrophobicContact CE2-CE2 4.23Å; Y486-F491 HydrophobicContact CE2-CG 4.47Å; Y486-F491 HydrophobicContact CG-CD1 4.36Å; Y486-F491 HydrophobicContact CG-CD2 4.35Å; Y486-F491 AromaticContact CG-CE1 3.94Å; Y486-F491 HydrophobicContact CG-CE1 3.94Å; Y486-F491 AromaticContact CG-CE2 3.91Å; Y486-F491 HydrophobicContact CG-CE2 3.91Å; Y486-F491 AromaticContact CG-CZ 3.69Å; Y486-F491 HydrophobicContact CG-CZ 3.69Å
487D84Confident86.5Confident33 Ų3364.9 Ų64.918%0.17634%0.336CS..  trans-83.9114.4168.1-168.4-18.7000107.7Y131 N132 E489 V490 F491Y131-D487 PolarHBondContact OH-OD2 3.38Å; N132-D487 PolarHBondContact ND2-OD2 3.28Å; D487-E489 PolarHBondContact O-N 3.42Å; D487-E489 VanDerWaalsContact O-N 3.11Å; D487-E489 PolarHBondContact OD1-N 3.22Å; D487-V490 HydrophobicContact CB-CB 4.44Å; D487-V490 HydrophobicContact CB-CG2 3.95Å; D487-V490 PolarHBondContact O-N 2.73Å; D487-F491 PolarHBondContact O-N 3.42Å
488P84.4Confident86.9Confident76 Ų7663.4 Ų63.449%0.49433%0.326SS..Hα-helixtrans-56.7-27.2-179.223.2-34.2000112.3Y486 F491 R492Y486-P488 HydrophobicContact CE2-CB 4.48Å; Y486-P488 WeakPolarHBondContact O-CD 3.36Å; P488-F491 PolarHBondContact O-N 2.97Å; P488-R492 PolarHBondContact O-N 2.85Å
489E84.6Confident87.2Confident12 Ų1261.1 Ų61.16%0.05631%0.314CS..Hα-helixtrans-67.8-37.9178.4-62.5-54.3155.500112.7D128 D487 F491 R492 M493D128-E489 VanDerWaalsContact OD1-CD 3.29Å; D128-E489 VanDerWaalsContact OD1-OE2 3.05Å; D487-E489 PolarHBondContact O-N 3.42Å; D487-E489 VanDerWaalsContact O-N 3.11Å; D487-E489 PolarHBondContact OD1-N 3.22Å; E489-F491 VanDerWaalsContact C-N 3.3Å; E489-F491 PolarHBondContact O-N 3.34Å; E489-R492 PolarHBondContact O-N 3.27Å; E489-R492 IonicContact OE2-CZ 2.69Å; E489-R492 IonicContact OE2-NE 3.96Å; E489-R492 PolarHBondContact OE2-NE 2.85Å; E489-R492 IonicContact OE2-NH2 2.7Å; E489-R492 PolarHBondContact OE2-NH2 3.45Å; E489-M493 WeakPolarHBondContact O-CB 3.44Å; E489-M493 PolarHBondContact O-N 3.04Å
490V87.9Confident87.8Confident56 Ų5659.9 Ų59.934%0.33931%0.306SS..Hα-helixtrans-65.5-38.9176.2176.70000110.2D487 M493 I494D487-V490 HydrophobicContact CB-CB 4.44Å; D487-V490 HydrophobicContact CB-CG2 3.95Å; D487-V490 PolarHBondContact O-N 2.73Å; V490-M493 PolarHBondContact O-N 2.97Å; V490-I494 HydrophobicContact CG1-CD1 3.85Å; V490-I494 HydrophobicContact CG1-CG1 4.48Å; V490-I494 VanDerWaalsContact O-CG1 3.28Å; V490-I494 WeakPolarHBondContact O-CG1 3.27Å; V490-I494 PolarHBondContact O-N 2.94Å
491F89.4Confident88.4Confident32 Ų3260.2 Ų60.214%0.1430%0.303CS..Hα-helixtrans-67.5-42.9177.8-83.835.5000111.2L475 Y486 D487 P488 E489 M493 I494 N495L475-F491 HydrophobicContact CB-CD2 4.08Å; L475-F491 HydrophobicContact CB-CE2 3.96Å; L475-F491 HydrophobicContact CD2-CD1 4.38Å; L475-F491 HydrophobicContact CD2-CD2 4.37Å; L475-F491 HydrophobicContact CD2-CE1 3.87Å; L475-F491 HydrophobicContact CD2-CE2 3.86Å; L475-F491 HydrophobicContact CD2-CZ 3.58Å; L475-F491 HydrophobicContact CG-CE2 4.5Å; L475-F491 WeakPolarHBondContact O-CE2 3.32Å; Y486-F491 HydrophobicContact CD1-CE2 4.3Å; Y486-F491 HydrophobicContact CD1-CZ 4.22Å; Y486-F491 HydrophobicContact CD2-CD1 4.05Å; Y486-F491 AromaticContact CD2-CD2 3.82Å; Y486-F491 HydrophobicContact CD2-CD2 3.82Å; Y486-F491 HydrophobicContact CD2-CE1 4.09Å; Y486-F491 AromaticContact CD2-CE2 3.85Å; Y486-F491 HydrophobicContact CD2-CE2 3.85Å; Y486-F491 AromaticContact CD2-CG 3.92Å; Y486-F491 HydrophobicContact CD2-CG 3.92Å; Y486-F491 AromaticContact CD2-CZ 3.99Å; Y486-F491 HydrophobicContact CD2-CZ 3.99Å; Y486-F491 HydrophobicContact CE2-CD2 4.07Å; Y486-F491 HydrophobicContact CE2-CE2 4.23Å; Y486-F491 HydrophobicContact CE2-CG 4.47Å; Y486-F491 HydrophobicContact CG-CD1 4.36Å; Y486-F491 HydrophobicContact CG-CD2 4.35Å; Y486-F491 AromaticContact CG-CE1 3.94Å; Y486-F491 HydrophobicContact CG-CE1 3.94Å; Y486-F491 AromaticContact CG-CE2 3.91Å; Y486-F491 HydrophobicContact CG-CE2 3.91Å; Y486-F491 AromaticContact CG-CZ 3.69Å; Y486-F491 HydrophobicContact CG-CZ 3.69Å; D487-F491 PolarHBondContact O-N 3.42Å; P488-F491 PolarHBondContact O-N 2.97Å; E489-F491 VanDerWaalsContact C-N 3.3Å; E489-F491 PolarHBondContact O-N 3.34Å; F491-M493 VanDerWaalsContact C-N 3.32Å; F491-M493 PolarHBondContact O-N 3.31Å; F491-I494 PolarHBondContact O-N 2.65Å; F491-N495 WeakPolarHBondContact O-CB 3.41Å; F491-N495 PolarHBondContact O-N 3.3Å; F491-N495 PolarHBondContact O-ND2 3.49Å
492R88.1Confident89Confident61 Ų6155.4 Ų55.423%0.2328%0.281CS..Hα-helixtrans-58.8-44.8173.8-173176.164.8104.23.6111.2D128 Y197 P488 E489 N495 Q496D128-R492 IonicContact OD1-NH2 3.02Å; D128-R492 PolarHBondContact OD1-NH2 3.46Å; D128-R492 IonicContact OD2-NH2 3.92Å; D128-R492 PolarHBondContact OD2-NH2 3.18Å; Y197-R492 VanDerWaalsContact OH-CZ 3.25Å; Y197-R492 PolarHBondContact OH-NH1 2.91Å; Y197-R492 PolarHBondContact OH-NH2 3.18Å; P488-R492 PolarHBondContact O-N 2.85Å; E489-R492 PolarHBondContact O-N 3.27Å; E489-R492 IonicContact OE2-CZ 2.69Å; E489-R492 IonicContact OE2-NE 3.96Å; E489-R492 PolarHBondContact OE2-NE 2.85Å; E489-R492 IonicContact OE2-NH2 2.7Å; E489-R492 PolarHBondContact OE2-NH2 3.45Å; R492-N495 PolarHBondContact O-N 2.87Å; R492-Q496 WeakPolarHBondContact O-CB 3.34Å; R492-Q496 PolarHBondContact O-N 3.27Å
493M90.9Very high89.8Confident14 Ų1449.5 Ų49.57%0.06925%0.249CC..Hα-helixtrans-60.2-49.6177.5178.7-167.5-61.600112.3P135 N136 I139 L140 E489 V490 F491 Q496 L497P135-M493 HydrophobicContact CB-CE 4.19Å; N136-M493 WeakPolarHBondContact OD1-CE 3.47Å; I139-M493 HydrophobicContact CB-CG 4.24Å; I139-M493 HydrophobicContact CB-SD 3.94Å; I139-M493 HydrophobicContact CD1-SD 3.39Å; I139-M493 WeakPolarHBondContact CD1-SD 3.4Å; I139-M493 HydrophobicContact CG1-SD 4.23Å; I139-M493 HydrophobicContact CG2-CG 3.75Å; I139-M493 HydrophobicContact CG2-SD 3.96Å; L140-M493 HydrophobicContact CD1-CB 4.27Å; L140-M493 HydrophobicContact CD1-CG 4.3Å; L140-M493 HydrophobicContact CD2-CB 4.43Å; L140-M493 HydrophobicContact CD2-CG 4.02Å; L140-M493 HydrophobicContact CG-CB 4.44Å; L140-M493 HydrophobicContact CG-CG 3.96Å; E489-M493 WeakPolarHBondContact O-CB 3.44Å; E489-M493 PolarHBondContact O-N 3.04Å; V490-M493 PolarHBondContact O-N 2.97Å; F491-M493 VanDerWaalsContact C-N 3.32Å; F491-M493 PolarHBondContact O-N 3.31Å; M493-Q496 PolarHBondContact O-N 3.42Å; M493-L497 WeakPolarHBondContact O-CB 3.18Å; M493-L497 PolarHBondContact O-N 2.69Å
494I92.7Very high90.6Very high62 Ų6242.3 Ų42.332%0.31822%0.223SC..Hα-helixtrans-62.7-44.7179.6-68.7166.6000110.6L475 V490 F491 L497 L498L475-I494 HydrophobicContact CD1-CB 4.42Å; L475-I494 HydrophobicContact CD1-CG2 3.76Å; V490-I494 HydrophobicContact CG1-CD1 3.85Å; V490-I494 HydrophobicContact CG1-CG1 4.48Å; V490-I494 VanDerWaalsContact O-CG1 3.28Å; V490-I494 WeakPolarHBondContact O-CG1 3.27Å; V490-I494 PolarHBondContact O-N 2.94Å; F491-I494 PolarHBondContact O-N 2.65Å; I494-L497 PolarHBondContact O-N 2.93Å; I494-L498 HydrophobicContact CG2-CD1 3.67Å; I494-L498 HydrophobicContact CG2-CG 4.22Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.27Å; I494-L498 WeakPolarHBondContact O-CG 3.4Å; I494-L498 PolarHBondContact O-N 3.4Å
495N92.6Very high91.2Very high36 Ų3639.6 Ų39.619%0.19321%0.213CC..Hα-helixtrans-59.9-50178.8-73.8-25.4000111.3K472 F491 R492 L497 L498 D499K472-N495 WeakPolarHBondContact CG-OD1 3.46Å; F491-N495 WeakPolarHBondContact O-CB 3.41Å; F491-N495 PolarHBondContact O-N 3.3Å; F491-N495 PolarHBondContact O-ND2 3.49Å; R492-N495 PolarHBondContact O-N 2.87Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 2.82Å; N495-L498 PolarHBondContact O-N 3.41Å; N495-D499 WeakPolarHBondContact O-CB 3.48Å; N495-D499 PolarHBondContact O-N 2.96Å; N495-D499 VanDerWaalsContact O-OD2 3.05Å
496Q93Very high91.9Very high24 Ų2433 Ų3311%0.11217%0.171CC..Hα-helixtrans-59.7-41.1178.7-175.558.150.600112.1L140 S189 N193 R492 M493 T500L140-Q496 HydrophobicContact CD2-CB 3.91Å; L140-Q496 HydrophobicContact CD2-CG 3.88Å; S189-Q496 PolarHBondContact OG-NE2 3.17Å; N193-Q496 PolarHBondContact ND2-OE1 3.09Å; R492-Q496 WeakPolarHBondContact O-CB 3.34Å; R492-Q496 PolarHBondContact O-N 3.27Å; M493-Q496 PolarHBondContact O-N 3.42Å; Q496-T500 PolarHBondContact NE2-OG1 2.91Å; Q496-T500 VanDerWaalsContact O-CB 3.32Å; Q496-T500 WeakPolarHBondContact O-CB 3.1Å; Q496-T500 PolarHBondContact O-N 2.05Å; Q496-T500 PolarHBondContact O-OG1 3.48Å
497L95.3Very high92.5Very high42 Ų4229.6 Ų29.622%0.2216%0.158CC..Hα-helixtrans-63-49176.5179.263.9000111.4I139 V143 L147 M493 I494 N495 D499 T500 M501I139-L497 HydrophobicContact CG2-CD2 4.2Å; V143-L497 HydrophobicContact CG1-CD1 3.97Å; L147-L497 HydrophobicContact CD1-CD1 3.99Å; M493-L497 WeakPolarHBondContact O-CB 3.18Å; M493-L497 PolarHBondContact O-N 2.69Å; I494-L497 PolarHBondContact O-N 2.93Å; N495-L497 VanDerWaalsContact C-N 3.3Å; N495-L497 PolarHBondContact O-N 2.82Å; L497-D499 VanDerWaalsContact C-N 3.34Å; L497-D499 PolarHBondContact O-N 3.1Å; L497-T500 PolarHBondContact O-N 3.16Å; L497-M501 HydrophobicContact CD1-CG 4.29Å; L497-M501 HydrophobicContact CD1-SD 4.35Å; L497-M501 HydrophobicContact CG-CG 4.48Å; L497-M501 HydrophobicContact CG-SD 4.14Å; L497-M501 WeakPolarHBondContact O-CB 3.42Å; L497-M501 VanDerWaalsContact O-CG 3.28Å; L497-M501 WeakPolarHBondContact O-CG 3.23Å; L497-M501 PolarHBondContact O-N 3.37Å
498L95.8Very high92.9Very high28 Ų2832.1 Ų32.115%0.14717%0.17CC..Hα-helixtrans-62.3-40.2-179.8-71.1170.2000112.2P471 I494 N495 M501 F502P471-L498 HydrophobicContact CB-CD1 4.02Å; I494-L498 HydrophobicContact CG2-CD1 3.67Å; I494-L498 HydrophobicContact CG2-CG 4.22Å; I494-L498 WeakPolarHBondContact O-CB 3.48Å; I494-L498 VanDerWaalsContact O-CG 3.27Å; I494-L498 WeakPolarHBondContact O-CG 3.4Å; I494-L498 PolarHBondContact O-N 3.4Å; N495-L498 PolarHBondContact O-N 3.41Å; L498-M501 PolarHBondContact O-N 2.9Å; L498-F502 WeakPolarHBondContact O-CB 3.32Å; L498-F502 PolarHBondContact O-N 3.22Å
499D95.6Very high93.4Very high5 Ų529.3 Ų29.33%0.02715%0.15CC..Hα-helixtrans-67.7-42177.9-65.6-35.1000111.4F185 K469 K472 N495 L497 F502 A503F185-D499 HydrophobicContact CZ-CB 3.79Å; K469-D499 WeakPolarHBondContact CE-OD1 3.26Å; K469-D499 IonicContact NZ-OD1 3.81Å; K469-D499 PolarHBondContact NZ-OD1 2.91Å; K472-D499 IonicContact NZ-OD1 3.82Å; K472-D499 PolarHBondContact NZ-OD1 3.24Å; K472-D499 IonicContact NZ-OD2 2.73Å; K472-D499 PolarHBondContact NZ-OD2 3.19Å; N495-D499 WeakPolarHBondContact O-CB 3.48Å; N495-D499 PolarHBondContact O-N 2.96Å; N495-D499 VanDerWaalsContact O-OD2 3.05Å; L497-D499 VanDerWaalsContact C-N 3.34Å; L497-D499 PolarHBondContact O-N 3.1Å; D499-F502 PolarHBondContact O-N 3.06Å; D499-A503 PolarHBondContact O-N 3.2Å; D499-A503 VanDerWaalsContact O-N 3.12Å
500T95.9Very high93.8Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-65.3-42.6175.7-53.10000111.5L147 C148 Q496 L497 A503 A504L147-T500 HydrophobicContact CB-CG2 3.69Å; L147-T500 HydrophobicContact CD1-CG2 4.33Å; C148-T500 VanDerWaalsContact SG-CG2 3.58Å; Q496-T500 PolarHBondContact NE2-OG1 2.91Å; Q496-T500 VanDerWaalsContact O-CB 3.32Å; Q496-T500 WeakPolarHBondContact O-CB 3.1Å; Q496-T500 PolarHBondContact O-N 2.05Å; Q496-T500 PolarHBondContact O-OG1 3.48Å; L497-T500 PolarHBondContact O-N 3.16Å; T500-A503 PolarHBondContact O-N 2.94Å; T500-A504 WeakPolarHBondContact O-CB 3.31Å; T500-A504 PolarHBondContact O-N 2.67Å
501M96.6Very high93.9Very high71 Ų7128.3 Ų28.335%0.3514%0.143SC..Hα-helixtrans-60.6-45.3174.9-76-178.968.800111.6L147 L497 L498 A503 A504 C505L147-M501 HydrophobicContact CD1-CG 3.79Å; L497-M501 HydrophobicContact CD1-CG 4.29Å; L497-M501 HydrophobicContact CD1-SD 4.35Å; L497-M501 HydrophobicContact CG-CG 4.48Å; L497-M501 HydrophobicContact CG-SD 4.14Å; L497-M501 WeakPolarHBondContact O-CB 3.42Å; L497-M501 VanDerWaalsContact O-CG 3.28Å; L497-M501 WeakPolarHBondContact O-CG 3.23Å; L497-M501 PolarHBondContact O-N 3.37Å; L498-M501 PolarHBondContact O-N 2.9Å; M501-A503 PolarHBondContact O-N 3.35Å; M501-A504 PolarHBondContact O-N 3.39Å; M501-C505 VanDerWaalsContact O-CB 3.3Å; M501-C505 WeakPolarHBondContact O-CB 3.44Å; M501-C505 PolarHBondContact O-N 2.97Å; M501-C505 PolarHBondContact O-SG 2.92Å
502F96.9Very high93.9Very high7 Ų733.1 Ų33.13%0.03117%0.17CC..Hα-helixtrans-60.1-45178.7176.4-121.7000112.1V231 I464 L465 C468 L498 D499 K506V231-F502 HydrophobicContact CG1-CE1 3.59Å; V231-F502 HydrophobicContact CG1-CZ 4.2Å; I464-F502 HydrophobicContact CG2-CD2 3.92Å; L465-F502 VanDerWaalsContact CA-CE2 3.49Å; L465-F502 HydrophobicContact CB-CD2 4.44Å; L465-F502 HydrophobicContact CB-CE2 3.59Å; L465-F502 HydrophobicContact CB-CZ 3.75Å; L465-F502 HydrophobicContact CD1-CZ 3.91Å; L465-F502 HydrophobicContact CG-CE1 4.49Å; L465-F502 HydrophobicContact CG-CE2 4.22Å; L465-F502 HydrophobicContact CG-CZ 3.91Å; C468-F502 HydrophobicContact CB-CB 3.99Å; L498-F502 WeakPolarHBondContact O-CB 3.32Å; L498-F502 PolarHBondContact O-N 3.22Å; D499-F502 PolarHBondContact O-N 3.06Å; F502-K506 HydrophobicContact CE2-CD 4.13Å; F502-K506 HydrophobicContact CE2-CG 4.33Å; F502-K506 HydrophobicContact CZ-CD 4.05Å; F502-K506 VanDerWaalsContact CZ-CE 3.49Å; F502-K506 WeakPolarHBondContact O-CE 3.14Å
503A96.8Very high93.8Very high2 Ų232 Ų322%0.01717%0.17CC..Hα-helixtrans-63.8-41.8176.600000112.4D182 F185 M186 D499 T500 M501D182-A503 HydrophobicContact CB-CB 4.41Å; F185-A503 HydrophobicContact CD1-CB 3.98Å; F185-A503 HydrophobicContact CE1-CB 4.16Å; M186-A503 HydrophobicContact CE-CB 4.48Å; M186-A503 HydrophobicContact CG-CB 4.03Å; M186-A503 HydrophobicContact SD-CB 4.07Å; D499-A503 PolarHBondContact O-N 3.2Å; D499-A503 VanDerWaalsContact O-N 3.12Å; T500-A503 PolarHBondContact O-N 2.94Å; M501-A503 PolarHBondContact O-N 3.35Å
504A96.5Very high93.5Very high10 Ų1031.4 Ų31.48%0.08317%0.167CC..Hα-helixtrans-75-33-177.600000113.9L147 T500 M501L147-A504 HydrophobicContact CB-CB 4.42Å; T500-A504 WeakPolarHBondContact O-CB 3.31Å; T500-A504 PolarHBondContact O-N 2.67Å; M501-A504 PolarHBondContact O-N 3.39Å
505C96.1Very high92.8Very high42 Ų4230.2 Ų30.228%0.28417%0.166SC..Hα-helixtrans-78.8-23.6-175.1-71.90000114.3I464 M501 M508 I509I464-C505 HydrophobicContact CD1-CB 4.23Å; I464-C505 HydrophobicContact CG2-CB 4.48Å; M501-C505 VanDerWaalsContact O-CB 3.3Å; M501-C505 WeakPolarHBondContact O-CB 3.44Å; M501-C505 PolarHBondContact O-N 2.97Å; M501-C505 PolarHBondContact O-SG 2.92Å; C505-M508 WeakPolarHBondContact O-CB 3.47Å; C505-M508 PolarHBondContact O-N 3.01Å; C505-M508 VanDerWaalsContact O-N 3.11Å; C505-I509 PolarHBondContact O-N 3.32Å
506K95.1Very high92.3Very high8 Ų829.6 Ų29.64%0.03516%0.162CC..Hα-helixtrans-56.8-48.9-177.6-87.5177.9-95.4160.70113.9D182 I461 F502 M508 I509 C510D182-K506 IonicContact OD1-NZ 3.34Å; D182-K506 PolarHBondContact OD1-NZ 2.69Å; D182-K506 WeakPolarHBondContact OD2-CE 3.45Å; D182-K506 IonicContact OD2-NZ 2.65Å; D182-K506 PolarHBondContact OD2-NZ 3.42Å; I461-K506 HydrophobicContact CG1-CG 4.31Å; I461-K506 HydrophobicContact CG2-CD 4.07Å; I461-K506 HydrophobicContact CG2-CG 4.07Å; F502-K506 HydrophobicContact CE2-CD 4.13Å; F502-K506 HydrophobicContact CE2-CG 4.33Å; F502-K506 HydrophobicContact CZ-CD 4.05Å; F502-K506 VanDerWaalsContact CZ-CE 3.49Å; F502-K506 WeakPolarHBondContact O-CE 3.14Å; K506-M508 VanDerWaalsContact C-N 3.27Å; K506-M508 PolarHBondContact O-N 3.43Å; K506-I509 PolarHBondContact O-N 3.32Å; K506-C510 PolarHBondContact O-N 3.05Å; K506-C510 PolarHBondContact O-SG 3.37Å; K506-C510 VanDerWaalsContact O-SG 3.38Å
507P94.3Very high92Very high0 Ų028.4 Ų28.40%016%0.157CC..Hα-helixtrans-51.7-43.2171.6-34.539.1000114.3S154 N155 L158 I509 C510 I511S154-P507 VanDerWaalsContact CB-CB 3.45Å; N155-P507 HydrophobicContact CB-CG 4.43Å; N155-P507 WeakPolarHBondContact ND2-CG 3.36Å; N155-P507 WeakPolarHBondContact OD1-CG 3.37Å; L158-P507 HydrophobicContact CD1-CB 3.48Å; L158-P507 VanDerWaalsContact CD1-CB 3.48Å; L158-P507 HydrophobicContact CD1-CG 4.3Å; L158-P507 WeakPolarHBondContact CD1-O 3.49Å; P507-I509 VanDerWaalsContact C-N 3.35Å; P507-I509 PolarHBondContact O-N 3.44Å; P507-C510 WeakPolarHBondContact O-CB 3.31Å; P507-C510 PolarHBondContact O-N 2.06Å; P507-C510 VanDerWaalsContact O-N 3.12Å; P507-I511 WeakPolarHBondContact O-CG1 3.44Å; P507-I511 PolarHBondContact O-N 3Å
508M93.7Very high91.4Very high87 Ų8730.7 Ų30.743%0.42916%0.163SC..Hα-helixtrans-64-40.5-178.1-62.4-59.815700111.5S154 C505 K506 C510 I511 L512S154-M508 VanDerWaalsContact OG-CE 3.25Å; S154-M508 WeakPolarHBondContact OG-CE 3.13Å; C505-M508 WeakPolarHBondContact O-CB 3.47Å; C505-M508 PolarHBondContact O-N 3.01Å; C505-M508 VanDerWaalsContact O-N 3.11Å; K506-M508 VanDerWaalsContact C-N 3.27Å; K506-M508 PolarHBondContact O-N 3.43Å; M508-C510 VanDerWaalsContact C-N 3.33Å; M508-C510 PolarHBondContact O-N 3.32Å; M508-I511 PolarHBondContact O-N 3.44Å; M508-L512 WeakPolarHBondContact O-CB 3.28Å; M508-L512 WeakPolarHBondContact O-CG 3.13Å; M508-L512 PolarHBondContact O-N 3.14Å
509I93.5Very high90.8Very high16 Ų1634.5 Ų34.58%0.08218%0.18CC..Hα-helixtrans-60.2-45.7173.1-58.1166.8000110.7T457 C460 I461 I464 C505 K506 P507 I511 L512 V513T457-I509 HydrophobicContact CG2-CG2 4.45Å; C460-I509 HydrophobicContact CB-CD1 4.45Å; C460-I509 HydrophobicContact CB-CG2 3.41Å; C460-I509 VanDerWaalsContact CB-CG2 3.41Å; I461-I509 HydrophobicContact CG1-CD1 3.96Å; I461-I509 HydrophobicContact CG1-CG2 4.47Å; I464-I509 HydrophobicContact CB-CD1 4.23Å; I464-I509 HydrophobicContact CD1-CD1 3.16Å; I464-I509 HydrophobicContact CD1-CG1 3.62Å; I464-I509 HydrophobicContact CG1-CD1 3.64Å; C505-I509 PolarHBondContact O-N 3.32Å; K506-I509 PolarHBondContact O-N 3.32Å; P507-I509 VanDerWaalsContact C-N 3.35Å; P507-I509 PolarHBondContact O-N 3.44Å; I509-I511 VanDerWaalsContact C-N 3.3Å; I509-I511 PolarHBondContact O-N 3.15Å; I509-L512 PolarHBondContact O-N 2.73Å; I509-V513 HydrophobicContact CG2-CG2 3.97Å; I509-V513 WeakPolarHBondContact O-CB 3.36Å; I509-V513 WeakPolarHBondContact O-CG2 3.26Å; I509-V513 PolarHBondContact O-N 3.24Å
510C92.3Very high90.2Very high1 Ų135.5 Ų35.51%0.00719%0.188CC..Hα-helixtrans-60.7-42.6-178.5-64.90000111L158 Y162 K506 P507 M508 G514 Y517L158-C510 HydrophobicContact CD1-CB 4.09Å; Y162-C510 PolarHBondContact OH-SG 3.39Å; K506-C510 PolarHBondContact O-N 3.05Å; K506-C510 PolarHBondContact O-SG 3.37Å; K506-C510 VanDerWaalsContact O-SG 3.38Å; P507-C510 WeakPolarHBondContact O-CB 3.31Å; P507-C510 PolarHBondContact O-N 2.06Å; P507-C510 VanDerWaalsContact O-N 3.12Å; M508-C510 VanDerWaalsContact C-N 3.33Å; M508-C510 PolarHBondContact O-N 3.32Å; C510-G514 WeakPolarHBondContact O-CA 3.33Å; C510-G514 PolarHBondContact O-N 3.46Å; C510-Y517 HydrophobicContact CB-CD2 4.13Å; C510-Y517 HydrophobicContact CB-CE2 4.44Å; C510-Y517 WeakPolarHBondContact O-CD2 3.41Å
511I90.8Very high89.6Confident46 Ų4638.7 Ų38.724%0.23621%0.205CC..Hα-helixtrans-68.4-42.8177.7-65.9168.1000111.3L158 P507 M508 I509 R518 L521L158-I511 HydrophobicContact CD1-CD1 4.19Å; L158-I511 HydrophobicContact CD1-CG1 4.08Å; L158-I511 HydrophobicContact CD2-CD1 4.44Å; L158-I511 HydrophobicContact CD2-CG1 3.91Å; L158-I511 HydrophobicContact CG-CD1 4.37Å; L158-I511 HydrophobicContact CG-CG1 4.3Å; P507-I511 WeakPolarHBondContact O-CG1 3.44Å; P507-I511 PolarHBondContact O-N 3Å; M508-I511 PolarHBondContact O-N 3.44Å; I509-I511 VanDerWaalsContact C-N 3.3Å; I509-I511 PolarHBondContact O-N 3.15Å; I511-R518 HydrophobicContact CG2-CG 4.04Å; I511-R518 VanDerWaalsContact O-CD 3.24Å; I511-R518 WeakPolarHBondContact O-CD 3.42Å; I511-R518 WeakPolarHBondContact O-CG 3.34Å; I511-R518 PolarHBondContact O-NH1 2.95Å; I511-L521 HydrophobicContact CD1-CD1 4.47Å; I511-L521 HydrophobicContact CG1-CD1 4.31Å
512L89.2Confident88.9Confident133 Ų13340.3 Ų40.370%0.69622%0.219SC*.Hα-helixtrans-71.1-41.7-177.4-71.7171.6000112.7M508 I509 R518M508-L512 WeakPolarHBondContact O-CB 3.28Å; M508-L512 WeakPolarHBondContact O-CG 3.13Å; M508-L512 PolarHBondContact O-N 3.14Å; I509-L512 PolarHBondContact O-N 2.73Å; L512-R518 PolarHBondContact O-NH1 2.8Å
513V87.1Confident87.6Confident39 Ų3943.3 Ų43.324%0.23624%0.238CC..Hα-helixtrans-89.9-37.7-174.6179.90000112.1I456 I509 A515I456-V513 HydrophobicContact CB-CG1 4.01Å; I456-V513 HydrophobicContact CG2-CG1 3.64Å; I509-V513 HydrophobicContact CG2-CG2 3.97Å; I509-V513 WeakPolarHBondContact O-CB 3.36Å; I509-V513 WeakPolarHBondContact O-CG2 3.26Å; I509-V513 PolarHBondContact O-N 3.24Å; V513-A515 PolarHBondContact O-N 3.23Å
514G82.9Confident85.9Confident0 Ų046.9 Ų46.90%026%0.261CS..  trans-93.695-174.400000113C510 H516 Y517 R518C510-G514 WeakPolarHBondContact O-CA 3.33Å; C510-G514 PolarHBondContact O-N 3.46Å; G514-H516 PolarHBondContact O-N 3.39Å; G514-Y517 PolarHBondContact O-N 2.89Å; G514-R518 PolarHBondContact O-N 2.99Å
515A79.8Confident84Confident38 Ų3851.9 Ų51.931%0.31430%0.295SS..Hα-helixtrans-57.1-34.3174.600000112.7V513 Y517 R518 Q519V513-A515 PolarHBondContact O-N 3.23Å; A515-Y517 VanDerWaalsContact C-N 3.34Å; A515-Y517 PolarHBondContact O-N 3.4Å; A515-R518 PolarHBondContact O-N 3.36Å; A515-Q519 WeakPolarHBondContact O-CB 3.21Å; A515-Q519 PolarHBondContact O-N 3.46Å
516H82.4Confident82Confident22 Ų2254.4 Ų54.410%0.10231%0.31CS..Hα-helixtrans-68.1-30.3176.461.7-73.9000113.2R450 N454 G514 A520R450-H516 HydrophobicContact CG-CB 4.49Å; N454-H516 PolarHBondContact OD1-CE1 3.2Å; N454-H516 PolarHBondContact OD1-NE2 3.29Å; N454-H516 VanDerWaalsContact OD1-NE2 3.14Å; G514-H516 PolarHBondContact O-N 3.39Å; H516-A520 WeakPolarHBondContact O-CB 3.33Å; H516-A520 PolarHBondContact O-N 3.32Å
517Y84.7Confident79.9Confident0 Ų058.8 Ų58.80%034%0.34CS..Hα-helixtrans-71.1-42.3172.1-61.4-52000110.8Y162 T172 L175 N454 C510 G514 A515 Q519 A520 L521Y162-Y517 AromaticContact CD1-CD1 3.89Å; Y162-Y517 HydrophobicContact CD1-CD1 3.89Å; Y162-Y517 AromaticContact CD1-CE1 3.44Å; Y162-Y517 HydrophobicContact CD1-CE1 3.44Å; Y162-Y517 VanDerWaalsContact CD1-CE1 3.44Å; Y162-Y517 AromaticContact CD1-CZ 3.99Å; Y162-Y517 AromaticContact CE1-CD1 3.96Å; Y162-Y517 HydrophobicContact CE1-CD1 3.96Å; Y162-Y517 AromaticContact CE1-CE1 3.68Å; Y162-Y517 HydrophobicContact CE1-CE1 3.68Å; Y162-Y517 HydrophobicContact CE1-CE2 4.35Å; Y162-Y517 HydrophobicContact CE1-CG 4.43Å; Y162-Y517 AromaticContact CE1-CZ 3.89Å; T172-Y517 HydrophobicContact CG2-CE1 4.28Å; L175-Y517 VanDerWaalsContact CD1-OH 3.3Å; L175-Y517 WeakPolarHBondContact CD1-OH 3.48Å; N454-Y517 PolarHBondContact OD1-OH 3.34Å; C510-Y517 HydrophobicContact CB-CD2 4.13Å; C510-Y517 HydrophobicContact CB-CE2 4.44Å; C510-Y517 WeakPolarHBondContact O-CD2 3.41Å; G514-Y517 PolarHBondContact O-N 2.89Å; A515-Y517 VanDerWaalsContact C-N 3.34Å; A515-Y517 PolarHBondContact O-N 3.4Å; Y517-Q519 VanDerWaalsContact C-N 3.34Å; Y517-Q519 PolarHBondContact O-N 3.46Å; Y517-A520 PolarHBondContact O-N 2.98Å; Y517-L521 WeakPolarHBondContact O-CG 3.2Å; Y517-L521 PolarHBondContact O-N 3.28Å; Y517-L521 VanDerWaalsContact O-N 3.08Å
518R84.6Confident77.6Confident90 Ų9064.2 Ų64.234%0.3438%0.377SS..Hα-helixtrans-59.1-46.4173.7-65.6-164.4-64.9-96.28.5111.6I511 L512 G514 A515 A520 L521 T522I511-R518 HydrophobicContact CG2-CG 4.04Å; I511-R518 VanDerWaalsContact O-CD 3.24Å; I511-R518 WeakPolarHBondContact O-CD 3.42Å; I511-R518 WeakPolarHBondContact O-CG 3.34Å; I511-R518 PolarHBondContact O-NH1 2.95Å; L512-R518 PolarHBondContact O-NH1 2.8Å; G514-R518 PolarHBondContact O-N 2.99Å; A515-R518 PolarHBondContact O-N 3.36Å; R518-A520 VanDerWaalsContact C-N 3.35Å; R518-A520 PolarHBondContact O-N 2.8Å; R518-L521 WeakPolarHBondContact O-CB 3.44Å; R518-L521 PolarHBondContact O-N 3.26Å; R518-L521 VanDerWaalsContact O-N 3.1Å; R518-T522 WeakPolarHBondContact O-CG2 3.5Å; R518-T522 PolarHBondContact O-N 2.86Å; R518-T522 PolarHBondContact O-OG1 3.25Å
519Q81.8Confident75.4Confident108 Ų10866.6 Ų66.651%0.50539%0.39SS..Hα-helixtrans-60.9-44.7177.8-170.7173.99.600111.2A515 Y517 L521 T522 T523A515-Q519 WeakPolarHBondContact O-CB 3.21Å; A515-Q519 PolarHBondContact O-N 3.46Å; Y517-Q519 VanDerWaalsContact C-N 3.34Å; Y517-Q519 PolarHBondContact O-N 3.46Å; Q519-L521 PolarHBondContact O-N 2.81Å; Q519-T522 PolarHBondContact O-N 3.45Å; Q519-T522 PolarHBondContact O-OG1 3.04Å; Q519-T523 WeakPolarHBondContact O-CB 3.44Å; Q519-T523 PolarHBondContact O-N 3.02Å; Q519-T523 PolarHBondContact O-OG1 2.97Å
520A82.7Confident73.3Confident25 Ų2570.3 Ų70.321%0.20742%0.416CS..Hα-helixtrans-61-27.4176.400000113.4A161 N167 H516 Y517 R518A161-A520 HydrophobicContact CB-CB 4.03Å; N167-A520 WeakPolarHBondContact ND2-CB 3.33Å; H516-A520 WeakPolarHBondContact O-CB 3.33Å; H516-A520 PolarHBondContact O-N 3.32Å; Y517-A520 PolarHBondContact O-N 2.98Å; R518-A520 VanDerWaalsContact C-N 3.35Å; R518-A520 PolarHBondContact O-N 2.8Å
521L84Confident71.2Confident67 Ų6777 Ų7735%0.35145%0.451SS..Hα-helixtrans-83.4-33175.3-66.6175.5000113.5V157 L158 A161 I511 Y517 R518 Q519V157-L521 HydrophobicContact CG1-CD1 4.3Å; V157-L521 HydrophobicContact CG1-CD2 3.59Å; V157-L521 WeakPolarHBondContact O-CD2 3.1Å; L158-L521 HydrophobicContact CD2-CD1 3.92Å; A161-L521 HydrophobicContact CB-CD2 4.08Å; A161-L521 HydrophobicContact CB-CG 4.33Å; I511-L521 HydrophobicContact CD1-CD1 4.47Å; I511-L521 HydrophobicContact CG1-CD1 4.31Å; Y517-L521 WeakPolarHBondContact O-CG 3.2Å; Y517-L521 PolarHBondContact O-N 3.28Å; Y517-L521 VanDerWaalsContact O-N 3.08Å; R518-L521 WeakPolarHBondContact O-CB 3.44Å; R518-L521 PolarHBondContact O-N 3.26Å; R518-L521 VanDerWaalsContact O-N 3.1Å; Q519-L521 PolarHBondContact O-N 2.81Å
522T82.7Confident69.3Low105 Ų10581.8 Ų81.864%0.64448%0.478SS*.Hα-helixtrans-88.3-22.5-177.856.90000113.7R518 Q519 P524R518-T522 WeakPolarHBondContact O-CG2 3.5Å; R518-T522 PolarHBondContact O-N 2.86Å; R518-T522 PolarHBondContact O-OG1 3.25Å; Q519-T522 PolarHBondContact O-N 3.45Å; Q519-T522 PolarHBondContact O-OG1 3.04Å; T522-P524 WeakPolarHBondContact O-CD 3.17Å
523T69.1Low67.3Low71 Ų7180.9 Ų80.944%0.43648%0.477SS..SBendtrans-70114.6-178.6-420000108.9Q519 S525Q519-T523 WeakPolarHBondContact O-CB 3.44Å; Q519-T523 PolarHBondContact O-N 3.02Å; Q519-T523 PolarHBondContact O-OG1 2.97Å; T523-S525 PolarHBondContact O-N 2.81Å
524P60.1Low65.5Low76 Ų7686.4 Ų86.449%0.49451%0.506SS..  trans-59.9135.7177-2033.1000109.4T522 T526 C527T522-P524 WeakPolarHBondContact O-CD 3.17Å; P524-T526 VanDerWaalsContact CB-OG1 3.24Å; P524-T526 WeakPolarHBondContact CB-OG1 3.31Å; P524-T526 PolarHBondContact O-N 3.09Å; P524-C527 PolarHBondContact O-N 3.02Å
525S57.4Low64Low115 Ų11594.4 Ų94.480%0.80455%0.547SS*.G310 helixtrans-56.1-14.1173.252.60000113.3T523T523-S525 PolarHBondContact O-N 2.81Å
526T53.7Low62.4Low96 Ų96100 Ų10059%0.58957%0.571SS**G310 helixtrans-76-12.2179.843.70000115.2P524 C528P524-T526 VanDerWaalsContact CB-OG1 3.24Å; P524-T526 WeakPolarHBondContact CB-OG1 3.31Å; P524-T526 PolarHBondContact O-N 3.09Å; T526-C528 PolarHBondContact O-N 3.01Å
527C50.7Low60.7Low100 Ų100104.7 Ų104.768%0.67660%0.602SS**G310 helixtrans-71.7-5.1176.5-86.80000114.6P524P524-C527 PolarHBondContact O-N 3.02Å
528C46.6Very low58.8Low113 Ų113111 Ų11176%0.76464%0.641SS**G310 helixtrans-124.314.8-178.7-61.90000114.9T526 P530T526-C528 PolarHBondContact O-N 3.01Å; C528-P530 VanDerWaalsContact O-CD 3.27Å; C528-P530 WeakPolarHBondContact O-CD 3.41Å
529L48.1Very low56.9Low137 Ų137112.5 Ų112.572%0.71766%0.66SS**  trans-73.4114.7163.4-99.2125000107.9N531L529-N531 PolarHBondContact O-N 2.95Å; L529-N531 VanDerWaalsContact O-N 3.17Å
530P48.1Very low55Low95 Ų95113 Ų11362%0.61767%0.67SS**  trans-62123.7168.616-8.1000106C528 D532C528-P530 VanDerWaalsContact O-CD 3.27Å; C528-P530 WeakPolarHBondContact O-CD 3.41Å; P530-D532 PolarHBondContact O-N 3.41Å
531N49.7Very low53.1Low141 Ų141117.6 Ų117.675%0.75470%0.696SS**  trans-73.466.7175-160.715.6000108.6L529 T533L529-N531 PolarHBondContact O-N 2.95Å; L529-N531 VanDerWaalsContact O-N 3.17Å; N531-T533 PolarHBondContact O-N 3.45Å; N531-T533 PolarHBondContact OD1-OG1 2.92Å
532D50.4Low51.1Low147 Ų147121.1 Ų121.179%0.78672%0.72SS**  trans-79.565.5167.9-76.7-23000108.4P530P530-D532 PolarHBondContact O-N 3.41Å
533T47.7Very low49.1Very low113 Ų113122.6 Ų122.669%0.69373%0.73SS**  trans-125.562.4168-11.60000109.4N531N531-T533 PolarHBondContact O-N 3.45Å; N531-T533 PolarHBondContact OD1-OG1 2.92Å
534N48.5Very low47.6Very low155 Ų155124.9 Ų124.983%0.82975%0.748SS**  trans-133.282.9159.7-93.2-25.4000107.2
535I50.8Low46.5Very low168 Ų168128 Ų12886%0.86277%0.766SS**  trans-168.5102.5147.7-82.2132.8000107
536N47.2Very low45.5Very low156 Ų156129.1 Ų129.183%0.83477%0.768SS**  trans-155.6120.7152.6-94.7-14.7000101
537T45.7Very low44.7Very low121 Ų121130.4 Ų130.474%0.74278%0.776SS**  cis-171.2119.134.6-38.60000107.1
538T44.7Very low43.8Very low132 Ų132132.6 Ų132.681%0.8178%0.781SS**  trans-165.1128.5139.9-11.30000111.5
539T45.8Very low43.3Very low122 Ų122133.5 Ų133.575%0.74878%0.777SS**  trans83.3102.9149.922.70000121.3
540T42.4Very low42.7Very low118 Ų118137.2 Ų137.272%0.72478%0.781SS**  82.395.4128.312.40000121
541T41.4Very low42Very low121 Ų121136.2 Ų136.274%0.74279%0.789SS**  44.5106.8119.7-20.70000118.9
542T42.4Very low41.3Very low141 Ų141135.8 Ų135.887%0.86579%0.786SS**  -166.8128113.6250000111.1
543T40Very low40.5Very low137 Ų137133.8 Ų133.884%0.8479%0.79SS**  trans-66.6130.7176.528.80000113.9
544S39.3Very low39.8Very low118 Ų118135.8 Ų135.883%0.82580%0.796SS**  trans-160.5112.8143.132.30000111.1
545T35.1Very low39.2Very low142 Ų142135.6 Ų135.687%0.87179%0.793SS**  trans-61.5124.9169.62.30000111.5
546V37.1Very low38.8Very low139 Ų139134.6 Ų134.684%0.84279%0.788SS**  trans-150.5132146.5-176.10000110.7
547T36.1Very low38.3Very low122 Ų122135.7 Ų135.775%0.74879%0.788SS**  trans-66.5140.3175.5420000115.8
548N32.6Very low38.3Very low146 Ų146136.8 Ų136.878%0.78179%0.789SS**  73.5150.2126.5-151.47.1000120.5
549I37.3Very low38.1Very low133 Ų133136.8 Ų136.868%0.68278%0.784SS**  trans92.8120.8154.2-37.6175.7000118.6
550R35.2Very low38Very low214 Ų214138.1 Ų138.181%0.80879%0.787SS**  trans92.8111.3139.2-119.4170.9175.5151.3-0.5118.8D552R550-D552 IonicContact NE-OD2 3.68Å
551G32Very low38.1Very low75 Ų75141.4 Ų141.477%0.77379%0.794SS**  trans-79.5126.3152.600000109.7
552D35.2Very low37.9Very low131 Ų131144.1 Ų144.170%0.70180%0.798SS**  trans-137.4143.7157.6-84.9-43.2000107.3R550 L554R550-D552 IonicContact NE-OD2 3.68Å; D552-L554 PolarHBondContact O-N 3.01Å
553A34.1Very low37.8Very low105 Ų105142.2 Ų142.287%0.86880%0.796SS**  trans-58127.4178.800000111
554L32Very low37.8Very low155 Ų155143 Ų14381%0.81279%0.794SS**  trans-105.6110.3172.7-140.9120.5000109.8D552 I556D552-L554 PolarHBondContact O-N 3.01Å; L554-I556 HydrophobicContact CD2-CG1 4.4Å
555I36.4Very low38.2Very low151 Ų151144 Ų14477%0.77480%0.795SS**  trans-61.9122.4157.2-65.1168.1000106.3
556I42.8Very low38.3Very low147 Ų147144.4 Ų144.475%0.75479%0.792SS**  trans-9697.5169.4-60.6175.8000106.5L554L554-I556 HydrophobicContact CD2-CG1 4.4Å
557E37Very low38.6Very low179 Ų179146.4 Ų146.484%0.83679%0.789SS**  trans-91.5121.1146.6-94.2-176.4151.500105.9
558D44.4Very low38.9Very low144 Ų144148.5 Ų148.577%0.7779%0.79SS**  trans-143.4138.8153.4-139.7-9.5000111.6
559N41.1Very low39.1Very low132 Ų132146.2 Ų146.271%0.70679%0.792SS**  trans-75.3146.7-165.4-65.4-70.7000112.1
560N44.4Very low39.5Very low151 Ų151146.2 Ų146.281%0.80780%0.798SS**  trans152103.3140.3-76.8-25.5000111.3
561H44.4Very low39.6Very low186 Ų186142.5 Ų142.586%0.86179%0.794SS**  170.1130121.4-99.3-68.8000111.5
562E37.9Very low40.3Very low179 Ų179147.6 Ų147.684%0.83680%0.797SS**  trans-54.4129.8171-66.7167.112200112.6
563A40.3Very low40.6Very low100 Ų100148.9 Ų148.983%0.82680%0.799SS**  trans-150.2105.515000000109.4
564I38.6Very low40.7Very low153 Ų153148.8 Ų148.879%0.78579%0.792SS**  trans-71.6116.5175.5-64.4163.5000109.1
565V48.7Very low41.5Very low140 Ų140147.8 Ų147.885%0.84879%0.792SS**  trans-147.3105.9149-176.60000109.8
566N36.5Very low41.7Very low150 Ų150148 Ų14880%0.80279%0.793SS**  trans-70.2135.7161.9-89.1-29.2000110.3
567K44.6Very low42Very low182 Ų182147.3 Ų147.379%0.79180%0.796SS**  trans-169.8112.4132-114.6179.4173.8-178.50113.9
568E42.1Very low42.6Very low165 Ų165146.2 Ų146.277%0.77179%0.791SS**  trans51.7115.9134.8-71.2171.6144.300121
569A35.5Very low42.7Very low99 Ų99147.3 Ų147.382%0.81879%0.791SS**  trans-66.1138.2155.700000111.6
570V46Very low43.3Very low132 Ų132146.1 Ų146.180%0.879%0.791SS**  trans-135.1121.4154.7177.90000109
571N38.1Very low44Very low136 Ų136151.9 Ų151.973%0.72781%0.813SS**  trans-75.5137.5173.2-163.311.9000109.1
572H46.5Very low43.9Very low182 Ų182150.2 Ų150.284%0.84381%0.81SS**  trans-156118.1152.9-105.1-62.1000113.3
573Q41.6Very low44.3Very low158 Ų158148.6 Ų148.674%0.73881%0.809SS**  trans-67.6145.1166.8-96.1158.7-44.900112.7
574S36.9Very low44.5Very low104 Ų104151.3 Ų151.373%0.72781%0.808SS**  trans31.5134.1142.665.10000120.3
575V47.7Very low44.8Very low133 Ų133151.2 Ų151.281%0.80681%0.809SS**  -168.4136.4120.7148.30000109.4
576I41Very low44.6Very low156 Ų156151.9 Ų151.980%0.881%0.807SS**  trans-82.4135.9175-65.4161.7000109.1
577T49.1Very low45.1Very low133 Ų133152.1 Ų152.182%0.81681%0.807SS**  trans-156.4139.3144.7-260000111.9
578Q49.8Very low45.2Very low156 Ų156149.9 Ų149.973%0.72981%0.808SS**  trans-82.2155.2-174.3-67.8166.3-63.800114
579Q45.4Very low45.4Very low166 Ų166148.8 Ų148.878%0.77681%0.811SS**  trans64.6164.5137.7-84.9-172.5-69.200120.3
580P55Low46.2Very low107 Ų107152.9 Ų152.970%0.69581%0.811SS**  -136.3164.9-53.536.3-18.6000112.7
581E57.9Low46.3Very low272 Ų272154.8 Ų154.8100%1.27181%0.812SS**  trans-148.60141.6-110.5-175.8-178.200108.8

Retrieved 581 of 581 residues in 160.4 ms (Link to these results)

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