A0A3Q0KFM7_SCHMA Loading...

Chimerin-related rho-gtpase-activating protein

AlphaFold DB , UniProt , Accession A0A3Q0KFM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 798 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
1M26.6Very low45Very low211 Ų211115 Ų115100%1.03961%0.605SS**  046.80-69.7162.76000109.7
2S24.8Very low48.3Very low117 Ų117111.5 Ų111.582%0.81858%0.581SS**  trans-109.9-10.1-158.2-39.20000113.5R4S2-R4 PolarHBondContact O-N 2.77Å
3D26.9Very low51Low170 Ų170104.5 Ų104.591%0.90954%0.544SS*.THydrogen-bonded Turntrans-82.144.4-177-155.430000111.8
4R30.5Very low53.5Low221 Ų221104.1 Ų104.183%0.83454%0.536SS*.THydrogen-bonded Turntrans-135.213.8-176.6-61.3-171.9-178-168.50.5112.8S2 L6S2-R4 PolarHBondContact O-N 2.77Å; R4-L6 PolarHBondContact O-N 3.13Å
5G27Very low56Low64 Ų6497.1 Ų97.166%0.6650%0.5SS*.SBendtrans-82.7101.3177.200000111.2
6L32.8Very low58.1Low145 Ų14593.9 Ų93.976%0.75948%0.48SS*.  trans58.9115.7-177.5-66.681.4000114.4R4 L8R4-L6 PolarHBondContact O-N 3.13Å; L6-L8 PolarHBondContact O-N 2.88Å
7E44.6Very low59.8Low101 Ų10190.2 Ų90.247%0.47246%0.462SS..  trans-68.189.5152.7-83.6-168.5146.700108.5R611E7-R611 IonicContact OE2-CZ 2.62Å; E7-R611 IonicContact OE2-NE 3.47Å; E7-R611 PolarHBondContact OE2-NE 2.73Å; E7-R611 IonicContact OE2-NH2 2.67Å; E7-R611 PolarHBondContact OE2-NH2 3.13Å
8L56.6Low61.5Low143 Ų14385.3 Ų85.375%0.74944%0.437SS*.  trans-50.9138.2163.2-70.1166.8000109L6 I10L6-L8 PolarHBondContact O-N 2.88Å; L8-I10 PolarHBondContact O-N 2.69Å; L8-I10 VanDerWaalsContact O-N 3.11Å
9R68.4Low63.2Low38 Ų3882.8 Ų82.814%0.14342%0.423CS..  trans-52.9122.1-179.1-73.3-175.7178.4-91-6.6109.6W11 R611 L613 T690 L692R9-W11 PolarHBondContact O-N 2.71Å; R9-R611 PolarHBondContact NH1-O 2.7Å; R9-L613 PolarHBondContact NH1-O 3.4Å; R9-T690 PolarHBondContact NH2-O 3.48Å; R9-L692 PolarHBondContact NH2-O 3.46Å
10I76.2Confident64.5Low44 Ų4483.4 Ų83.423%0.22642%0.42CS..SBendtrans-54.6-42.1-178-64.2176.2000110.4L8 P146 T485 Q612L8-I10 PolarHBondContact O-N 2.69Å; L8-I10 VanDerWaalsContact O-N 3.11Å; I10-P146 HydrophobicContact CD1-CG 4.08Å; I10-P146 HydrophobicContact CG2-CG 4.1Å; I10-T485 HydrophobicContact CG2-CG2 3.9Å; I10-T485 WeakPolarHBondContact O-CB 3.36Å; I10-T485 PolarHBondContact O-OG1 3.03Å; I10-Q612 HydrophobicContact CD1-CG 4.43Å
11W80.9Confident65.7Low11 Ų1183.7 Ų83.74%0.04242%0.42CS..SBendtrans-81.3127.3-179.7-53.3117.7000111.6R9 N13 P146 W480 T485 G529 Q612 P614R9-W11 PolarHBondContact O-N 2.71Å; W11-N13 PolarHBondContact O-ND2 3.18Å; W11-P146 HydrophobicContact CH2-CG 4.35Å; W11-P146 HydrophobicContact CZ2-CG 3.99Å; W11-W480 HydrophobicContact CB-CG 4.34Å; W11-W480 HydrophobicContact CD2-CB 4.18Å; W11-W480 HydrophobicContact CD2-CG 4.31Å; W11-W480 HydrophobicContact CE3-CB 3.42Å; W11-W480 VanDerWaalsContact CE3-CB 3.42Å; W11-W480 AromaticContact CE3-CG 3.89Å; W11-W480 HydrophobicContact CE3-CG 3.89Å; W11-W480 HydrophobicContact CZ3-CB 3.65Å; W11-T485 WeakPolarHBondContact CA-O 3.42Å; W11-T485 HydrophobicContact CE3-CG2 4.47Å; W11-T485 HydrophobicContact CZ3-CG2 4.36Å; W11-G529 WeakPolarHBondContact CZ2-O 3.39Å; W11-Q612 VanDerWaalsContact CD1-O 3.24Å; W11-Q612 PolarHBondContact NE1-O 3.08Å; W11-P614 HydrophobicContact CB-CB 4.21Å; W11-P614 HydrophobicContact CD2-CG 4.44Å; W11-P614 HydrophobicContact CG-CB 3.98Å; W11-P614 HydrophobicContact CG-CG 4.11Å
12K83.9Confident68.9Low73 Ų7374.4 Ų74.432%0.31738%0.377SS..BIsolated β-bridgetrans-101.7123.5-175.8-62.3168.9-172.7162.20110.8C484 T485 H486 F487K12-C484 PolarHBondContact NZ-O 2.94Å; K12-T485 PolarHBondContact N-O 3.29Å; K12-H486 VanDerWaalsContact CD-CE1 3.42Å; K12-H486 WeakPolarHBondContact CD-CE1 3.11Å; K12-H486 VanDerWaalsContact CD-NE2 3.3Å; K12-H486 WeakPolarHBondContact CD-NE2 3.31Å; K12-F487 PolarHBondContact O-N 2.79Å
13N83.4Confident72.3Confident20 Ų2070.3 Ų70.311%0.10735%0.347CS..  trans-111.14.8-161.5-53.4-60000114.6W11 L15 Y16 N17 W480 Y620W11-N13 PolarHBondContact O-ND2 3.18Å; N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 PolarHBondContact O-N 3.12Å; N13-Y16 WeakPolarHBondContact O-CB 3.3Å; N13-Y16 PolarHBondContact O-N 2.9Å; N13-Y16 VanDerWaalsContact O-N 3.1Å; N13-N17 PolarHBondContact O-N 3.39Å; N13-W480 WeakPolarHBondContact OD1-CZ2 3.49Å; N13-W480 PolarHBondContact OD1-NE1 3.42Å; N13-Y620 HydrophobicContact CB-CE2 3.94Å; N13-Y620 VanDerWaalsContact CG-OH 3.3Å; N13-Y620 PolarHBondContact ND2-OH 2.68Å
14K85.9Confident75.5Confident99 Ų9964.4 Ų64.443%0.4332%0.319SS..Hα-helixtrans-59.7-40.4176.7-177.654.3-177.6162.10112.3N17 L18 E21 V132K14-N17 PolarHBondContact O-N 3.32Å; K14-L18 HydrophobicContact CD-CD1 4.44Å; K14-L18 HydrophobicContact CD-CG 4.25Å; K14-L18 HydrophobicContact CG-CD1 4.21Å; K14-L18 WeakPolarHBondContact O-CB 3.31Å; K14-L18 VanDerWaalsContact O-CG 3.29Å; K14-L18 WeakPolarHBondContact O-CG 3.08Å; K14-L18 PolarHBondContact O-N 2.81Å; K14-E21 IonicContact NZ-OE2 3.9Å; K14-V132 HydrophobicContact CG-CG2 4.25Å
15L91.2Very high78.6Confident0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-69.7-30.9175.7-54.8-170000112.9N13 L18 Q19 V125 V132 L133 I136 H486 F487 W489N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 PolarHBondContact O-N 3.12Å; L15-L18 HydrophobicContact CD2-CD1 4.08Å; L15-Q19 PolarHBondContact O-N 2.69Å; L15-V125 HydrophobicContact CD2-CG1 4.14Å; L15-V132 HydrophobicContact CD2-CB 4.08Å; L15-V132 HydrophobicContact CD2-CG1 3.81Å; L15-V132 HydrophobicContact CG-CG1 4.12Å; L15-L133 HydrophobicContact CD1-CD2 4Å; L15-L133 HydrophobicContact CD2-CD2 4.33Å; L15-I136 HydrophobicContact CD1-CD1 3.76Å; L15-H486 HydrophobicContact CD1-CB 4.14Å; L15-F487 HydrophobicContact CB-CB 4.31Å; L15-F487 HydrophobicContact CB-CD1 4.34Å; L15-W489 HydrophobicContact CD1-CE3 3.76Å; L15-W489 HydrophobicContact CD1-CZ3 3.84Å
16Y89.3Confident81.9Confident46 Ų4656.3 Ų56.318%0.1828%0.276CS..Hα-helixtrans-67.3-44.2174.1174-100.8000111.2N13 Q19 R20 P478 W480 F487 Y620N13-Y16 WeakPolarHBondContact O-CB 3.3Å; N13-Y16 PolarHBondContact O-N 2.9Å; N13-Y16 VanDerWaalsContact O-N 3.1Å; Y16-Q19 PolarHBondContact O-N 2.98Å; Y16-R20 HydrophobicContact CE1-CG 4.45Å; Y16-R20 PolarHBondContact O-N 3.29Å; Y16-R20 VanDerWaalsContact O-N 3.16Å; Y16-P478 HydrophobicContact CD2-CB 4.46Å; Y16-P478 HydrophobicContact CE2-CB 4.11Å; Y16-W480 HydrophobicContact CD2-CH2 4.49Å; Y16-W480 HydrophobicContact CD2-CZ2 4.45Å; Y16-W480 HydrophobicContact CG-CZ2 4.43Å; Y16-F487 VanDerWaalsContact CA-CD1 3.45Å; Y16-F487 HydrophobicContact CD2-CD1 4.44Å; Y16-F487 AromaticContact CD2-CD2 3.92Å; Y16-F487 HydrophobicContact CD2-CD2 3.92Å; Y16-F487 HydrophobicContact CD2-CE1 4.21Å; Y16-F487 AromaticContact CD2-CE2 3.7Å; Y16-F487 HydrophobicContact CD2-CE2 3.7Å; Y16-F487 HydrophobicContact CD2-CG 4.29Å; Y16-F487 AromaticContact CD2-CZ 3.85Å; Y16-F487 HydrophobicContact CD2-CZ 3.85Å; Y16-F487 HydrophobicContact CE2-CE2 4.47Å; Y16-F487 HydrophobicContact CG-CD2 4.47Å; Y16-Y620 AromaticContact CD1-CD2 3.91Å; Y16-Y620 HydrophobicContact CD1-CD2 3.91Å; Y16-Y620 HydrophobicContact CD1-CE2 4.47Å; Y16-Y620 AromaticContact CE1-CD2 3.74Å; Y16-Y620 HydrophobicContact CE1-CD2 3.74Å; Y16-Y620 HydrophobicContact CE1-CG 4.46Å
17N86.8Confident84.9Confident30 Ų3052.3 Ų52.316%0.1626%0.257CS..Hα-helixtrans-65.7-43.4174.8-69.7-5.9000111.2N13 K14 Q19 R20 E21N13-N17 PolarHBondContact O-N 3.39Å; K14-N17 PolarHBondContact O-N 3.32Å; N17-Q19 VanDerWaalsContact C-N 3.3Å; N17-Q19 PolarHBondContact O-N 3.07Å; N17-R20 CarbonylContact O-C 3.6Å; N17-R20 WeakPolarHBondContact O-CA 3.33Å; N17-R20 WeakPolarHBondContact O-CB 3.44Å; N17-R20 PolarHBondContact O-N 3.43Å; N17-E21 WeakPolarHBondContact CB-OE1 3.5Å; N17-E21 WeakPolarHBondContact O-CB 3.26Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 3.05Å
18L91.7Very high87.3Confident2 Ų249 Ų491%0.0124%0.242CC..Hα-helixtrans-58.3-36.9174-74.8170.2000113.1K14 L15 R20 E21 A22 Y124 V125 R128K14-L18 HydrophobicContact CD-CD1 4.44Å; K14-L18 HydrophobicContact CD-CG 4.25Å; K14-L18 HydrophobicContact CG-CD1 4.21Å; K14-L18 WeakPolarHBondContact O-CB 3.31Å; K14-L18 VanDerWaalsContact O-CG 3.29Å; K14-L18 WeakPolarHBondContact O-CG 3.08Å; K14-L18 PolarHBondContact O-N 2.81Å; L15-L18 HydrophobicContact CD2-CD1 4.08Å; L18-R20 VanDerWaalsContact C-N 3.34Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.41Å; L18-E21 PolarHBondContact O-N 3.43Å; L18-A22 PolarHBondContact O-N 2.92Å; L18-Y124 HydrophobicContact CB-CD1 4.45Å; L18-Y124 HydrophobicContact CD2-CD1 4.17Å; L18-Y124 HydrophobicContact CD2-CE1 3.87Å; L18-Y124 WeakPolarHBondContact O-CD1 3.4Å; L18-V125 HydrophobicContact CB-CG2 4.01Å; L18-R128 HydrophobicContact CD2-CB 3.69Å
19Q93.6Very high89.1Confident39 Ų3945.1 Ų45.118%0.18223%0.226CC..Hα-helixtrans-68.7-30.4172.9173.8164.2-26.200112.7L15 Y16 N17 I121 F487 W489L15-Q19 PolarHBondContact O-N 2.69Å; Y16-Q19 PolarHBondContact O-N 2.98Å; N17-Q19 VanDerWaalsContact C-N 3.3Å; N17-Q19 PolarHBondContact O-N 3.07Å; Q19-I121 HydrophobicContact CB-CG2 4.17Å; Q19-I121 HydrophobicContact CG-CD1 4.07Å; Q19-I121 HydrophobicContact CG-CG1 4.16Å; Q19-I121 HydrophobicContact CG-CG2 3.74Å; Q19-F487 HydrophobicContact CB-CE1 4.23Å; Q19-W489 VanDerWaalsContact OE1-CA 3.23Å; Q19-W489 VanDerWaalsContact OE1-CB 3.3Å
20R88.4Confident90.3Very high94 Ų9444.4 Ų44.436%0.35523%0.226SC..Hα-helixtrans-76.9-28.6173.1-70.117757.7-136.2-5.4113.3Y16 N17 L18 A22 Y620Y16-R20 HydrophobicContact CE1-CG 4.45Å; Y16-R20 PolarHBondContact O-N 3.29Å; Y16-R20 VanDerWaalsContact O-N 3.16Å; N17-R20 CarbonylContact O-C 3.6Å; N17-R20 WeakPolarHBondContact O-CA 3.33Å; N17-R20 WeakPolarHBondContact O-CB 3.44Å; N17-R20 PolarHBondContact O-N 3.43Å; L18-R20 VanDerWaalsContact C-N 3.34Å; R20-A22 VanDerWaalsContact C-N 3.31Å; R20-Y620 PolarHBondContact NH1-O 3.4Å
21E90.2Very high91Very high90 Ų9049.8 Ų49.842%0.42126%0.255SS..Hα-helixtrans-81.1-10.6178.3-69157.5-157.900112.3K14 N17 L18 Y124K14-E21 IonicContact NZ-OE2 3.9Å; N17-E21 WeakPolarHBondContact CB-OE1 3.5Å; N17-E21 WeakPolarHBondContact O-CB 3.26Å; N17-E21 WeakPolarHBondContact O-CG 3.47Å; N17-E21 PolarHBondContact O-N 3.05Å; L18-E21 WeakPolarHBondContact CD2-OE2 3.41Å; L18-E21 PolarHBondContact O-N 3.43Å; E21-Y124 HydrophobicContact CB-CE1 3.54Å; E21-Y124 WeakPolarHBondContact O-CE2 3.38Å; E21-Y124 PolarHBondContact O-OH 3.48Å
22A94.2Very high91.3Very high16 Ų1655 Ų5513%0.13228%0.275CS..SBendtrans-70143.2-178.500000113L18 R20 I121 Y124L18-A22 PolarHBondContact O-N 2.92Å; R20-A22 VanDerWaalsContact C-N 3.31Å; A22-I121 HydrophobicContact CB-CG1 4.04Å; A22-Y124 HydrophobicContact CB-CD1 4.14Å; A22-Y124 HydrophobicContact CB-CD2 4.34Å; A22-Y124 HydrophobicContact CB-CG 3.82Å
23P95.3Very high91.4Very high30 Ų3058.9 Ų58.920%0.19530%0.304CS..PPolyproline II helixtrans-65.9142.518026.8-34.7000112.1D63 F84 L120P23-D63 WeakPolarHBondContact CB-O 3.06Å; P23-F84 HydrophobicContact CG-CD2 4.2Å; P23-F84 HydrophobicContact CG-CE2 4.11Å; P23-L120 HydrophobicContact CG-CB 4.38Å; P23-L120 HydrophobicContact CG-CD2 4.16Å; P23-L120 WeakPolarHBondContact O-CD1 3.41Å
24S94.4Very high91.5Very high47 Ų4760.6 Ų60.633%0.32931%0.313SS..PPolyproline II helixtrans-74.2152.6172-57.90000111.7H26S24-H26 PolarHBondContact O-CE1 3.24Å; S24-H26 PolarHBondContact O-ND1 2.82Å
25P96.6Very high91.3Very high25 Ų2562.4 Ų62.416%0.16234%0.338CS..PPolyproline II helixtrans-66.5133.9173.430.7-37.3000110.9Y66 E113 V116 A117 L120P25-Y66 HydrophobicContact CB-CD1 4.25Å; P25-Y66 HydrophobicContact CB-CE1 3.93Å; P25-E113 HydrophobicContact CB-CG 4.23Å; P25-E113 HydrophobicContact CG-CG 3.76Å; P25-V116 HydrophobicContact CB-CB 4.21Å; P25-V116 HydrophobicContact CB-CG1 3.83Å; P25-A117 HydrophobicContact CG-CB 4.06Å; P25-L120 HydrophobicContact CB-CD1 4.35Å
26H95.6Very high91.1Very high90 Ų9068 Ų6842%0.41736%0.364SS..EExtended strand (participates in β ladder)trans-126.4117.3174.2-64.996.9000109.6S24 G64 S65 Y66S24-H26 PolarHBondContact O-CE1 3.24Å; S24-H26 PolarHBondContact O-ND1 2.82Å; H26-G64 PolarHBondContact N-O 2.85Å; H26-S65 CarbonylContact O-C 3.06Å; H26-S65 WeakPolarHBondContact O-CA 3.38Å; H26-Y66 WeakPolarHBondContact O-CD1 3.21Å; H26-Y66 PolarHBondContact O-N 2.95Å
27V96.1Very high91.1Very high60 Ų6068.6 Ų68.636%0.36437%0.374SS..EExtended strand (participates in β ladder)trans-75.3130.8178.158.90000110.7P29 V43 E44 Y66V27-P29 VanDerWaalsContact O-CD 3.3Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å; V27-V43 HydrophobicContact CG2-CG2 4.17Å; V27-E44 HydrophobicContact CG2-CB 3.54Å; V27-Y66 HydrophobicContact CB-CE1 4.01Å
28I95.7Very high91.3Very high33 Ų3367.2 Ų67.217%0.16937%0.367CS..  trans-88.1107.6166.3-59.4-57.8000108.2H46 L58 A61 Y66 L67I28-H46 PolarHBondContact O-NE2 2.84Å; I28-L58 HydrophobicContact CG1-CD2 3.84Å; I28-A61 HydrophobicContact CD1-CB 4.2Å; I28-Y66 PolarHBondContact N-O 2.78Å; I28-L67 HydrophobicContact CB-CB 4.48Å; I28-L67 HydrophobicContact CG2-CD2 4.45Å
29P94.4Very high91.3Very high61 Ų6173.2 Ų73.240%0.39641%0.406SS..  trans-72.3136-174.929.4-35.1000112V27 N31 V43V27-P29 VanDerWaalsContact O-CD 3.3Å; V27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-N31 PolarHBondContact O-N 2.84Å; P29-V43 CarbonylContact C-O 3.46Å; P29-V43 WeakPolarHBondContact CA-O 3.24Å; P29-V43 HydrophobicContact CB-CB 4.42Å
30C93.5Very high91.2Very high23 Ų2373.5 Ų73.516%0.15541%0.408CS..  trans-73.5107170.7-177.40000110.5R32 V43 Y45C30-R32 PolarHBondContact O-N 2.88Å; C30-V43 PolarHBondContact N-O 3.47Å; C30-Y45 WeakPolarHBondContact CB-O 3.44Å; C30-Y45 PolarHBondContact SG-O 3.14Å
31N89.5Confident91.5Very high156 Ų15669.9 Ų69.983%0.83439%0.394SS*.  trans-84.811.2175.1-65.3-39.3000113.3P29P29-N31 PolarHBondContact O-N 2.84Å
32R87.4Confident91.5Very high122 Ų12267.4 Ų67.446%0.4639%0.392SS..SBendtrans-100.9142.5-175.7-58.4179.2179-169.70.2110.7C30 L34 E53C30-R32 PolarHBondContact O-N 2.88Å; R32-L34 HydrophobicContact CB-CD2 4.3Å; R32-L34 PolarHBondContact O-N 3.3Å; R32-L34 VanDerWaalsContact O-N 3.14Å; R32-E53 IonicContact CZ-OE1 2.97Å; R32-E53 IonicContact NH1-OE1 2.77Å; R32-E53 PolarHBondContact NH1-OE1 3.08Å; R32-E53 IonicContact NH2-OE1 2.77Å; R32-E53 PolarHBondContact NH2-OE1 3.34Å
33V85.8Confident91.5Very high154 Ų15471 Ų7193%0.93341%0.412SS*.  trans-77.5100.1172.1-177.40000108.6
34L86.7Confident91.5Very high56 Ų5670.8 Ų70.829%0.29341%0.409SS..  trans-84.4141.8177.5-58.5-178.7000111.1R32 Y45R32-L34 HydrophobicContact CB-CD2 4.3Å; R32-L34 PolarHBondContact O-N 3.3Å; R32-L34 VanDerWaalsContact O-N 3.14Å; L34-Y45 HydrophobicContact CD1-CD1 3.49Å; L34-Y45 VanDerWaalsContact CD1-CD1 3.49Å; L34-Y45 HydrophobicContact CD1-CE1 3.69Å; L34-Y45 WeakPolarHBondContact CD1-O 3.31Å
35S81.4Confident91.6Very high136 Ų13669 Ų6995%0.95140%0.395SS*.SBendtrans-73.6-27178.3520000113.6
36H87.6Confident91.5Very high118 Ų11868.2 Ų68.255%0.54639%0.389SS..  trans-148.7130.3177175.4-91.1000109.3Y45H36-Y45 WeakPolarHBondContact O-CE1 3.47Å
37C88.8Confident91.4Very high58 Ų5864 Ų6439%0.39237%0.37SS..  trans-118.4127168.6-171.40000108Y45C37-Y45 HydrophobicContact CB-CD1 4.25Å; C37-Y45 HydrophobicContact CB-CE1 4.46Å; C37-Y45 VanDerWaalsContact SG-CD1 3.57Å
38P91.4Very high91.2Very high2 Ų266.1 Ų66.11%0.01339%0.385CS..  trans-58.5136.4174.5-21.732.2000110.7Q40 Y41 Y45 Y78P38-Q40 PolarHBondContact O-N 2.68Å; P38-Y41 HydrophobicContact CB-CD2 3.8Å; P38-Y41 HydrophobicContact CB-CE2 4.17Å; P38-Y41 HydrophobicContact CG-CD2 3.89Å; P38-Y41 HydrophobicContact CG-CE2 4.24Å; P38-Y41 PolarHBondContact O-N 2.93Å; P38-Y45 VanDerWaalsContact CD-CE1 3.47Å; P38-Y45 HydrophobicContact CG-CE2 3.97Å; P38-Y78 HydrophobicContact CG-CE1 3.57Å; P38-Y78 WeakPolarHBondContact CG-OH 3.13Å
39P90.8Very high91.1Very high128 Ų12864.7 Ų64.783%0.83138%0.378SS*.THydrogen-bonded Turntrans-67.7-9.3-169.828-36.9000114.7
40Q91.8Very high91Very high45 Ų4563.7 Ų63.721%0.2137%0.372CS..THydrogen-bonded Turntrans-91.1-0.1174.273.6-79.74.500114.4P38 F95 H102P38-Q40 PolarHBondContact O-N 2.68Å; Q40-F95 HydrophobicContact CB-CD1 4.06Å; Q40-F95 HydrophobicContact CB-CD2 4.02Å; Q40-F95 HydrophobicContact CB-CE1 3.83Å; Q40-F95 HydrophobicContact CB-CE2 3.77Å; Q40-F95 HydrophobicContact CB-CG 4.14Å; Q40-F95 HydrophobicContact CB-CZ 3.67Å; Q40-F95 HydrophobicContact CG-CB 4.32Å; Q40-F95 HydrophobicContact CG-CD1 3.97Å; Q40-F95 HydrophobicContact CG-CD2 4.1Å; Q40-F95 HydrophobicContact CG-CE1 4.26Å; Q40-F95 HydrophobicContact CG-CE2 4.37Å; Q40-F95 HydrophobicContact CG-CG 3.88Å; Q40-F95 HydrophobicContact CG-CZ 4.44Å; Q40-H102 PolarHBondContact O-CE1 2.92Å; Q40-H102 VanDerWaalsContact O-CE1 3.27Å
41Y93.7Very high91Very high17 Ų1768.7 Ų68.77%0.06739%0.388CS..  trans-125.8151.4178.7-52.8-49.1000111.9P38 E44 Y45 I68 Y78 L93 H102 V112P38-Y41 HydrophobicContact CB-CD2 3.8Å; P38-Y41 HydrophobicContact CB-CE2 4.17Å; P38-Y41 HydrophobicContact CG-CD2 3.89Å; P38-Y41 HydrophobicContact CG-CE2 4.24Å; P38-Y41 PolarHBondContact O-N 2.93Å; Y41-E44 WeakPolarHBondContact CA-OE1 3.33Å; Y41-Y45 AromaticContact CD2-CD2 3.95Å; Y41-Y45 HydrophobicContact CD2-CD2 3.95Å; Y41-Y45 HydrophobicContact CD2-CE2 4.47Å; Y41-I68 HydrophobicContact CD1-CD1 3.36Å; Y41-I68 HydrophobicContact CD2-CD1 4.46Å; Y41-I68 HydrophobicContact CD2-CG2 4.48Å; Y41-I68 HydrophobicContact CE1-CD1 3.62Å; Y41-I68 HydrophobicContact CE2-CG2 4.32Å; Y41-I68 HydrophobicContact CG-CD1 3.85Å; Y41-Y78 AromaticContact CE2-CD1 3.89Å; Y41-Y78 HydrophobicContact CE2-CD1 3.89Å; Y41-Y78 AromaticContact CE2-CD2 3.71Å; Y41-Y78 HydrophobicContact CE2-CD2 3.71Å; Y41-Y78 HydrophobicContact CE2-CE1 4.21Å; Y41-Y78 HydrophobicContact CE2-CE2 4.05Å; Y41-Y78 AromaticContact CE2-CG 3.63Å; Y41-Y78 HydrophobicContact CE2-CG 3.63Å; Y41-Y78 AromaticContact CZ-CD2 4Å; Y41-Y78 WeakPolarHBondContact OH-CD2 3.43Å; Y41-L93 HydrophobicContact CE1-CD2 3.65Å; Y41-H102 AromaticContact CE1-CE1 3.73Å; Y41-H102 AromaticContact CE1-ND1 3.74Å; Y41-V112 HydrophobicContact CD1-CG2 4.35Å; Y41-V112 HydrophobicContact CE1-CG2 4.42Å
42G91.6Very high91.2Very high38 Ų3867.5 Ų67.539%0.39238%0.377SS..  trans-110.9-137.8178.100000113.4E44 Y45G42-E44 VanDerWaalsContact CA-OE2 3.23Å; G42-E44 WeakPolarHBondContact CA-OE2 3.5Å; G42-E44 PolarHBondContact N-OE1 3.35Å; G42-E44 PolarHBondContact N-OE2 2.84Å; G42-E44 PolarHBondContact O-N 3.08Å; G42-E44 VanDerWaalsContact O-N 3.17Å; G42-Y45 PolarHBondContact O-N 2.7Å
43V93.5Very high91.5Very high91 Ų9163.8 Ų63.855%0.55237%0.365SS*.THydrogen-bonded Turntrans-65-16.3-176.4-62.20000113.8V27 P29 C30 Y45V27-V43 HydrophobicContact CG2-CG2 4.17Å; P29-V43 CarbonylContact C-O 3.46Å; P29-V43 WeakPolarHBondContact CA-O 3.24Å; P29-V43 HydrophobicContact CB-CB 4.42Å; C30-V43 PolarHBondContact N-O 3.47Å; V43-Y45 PolarHBondContact O-N 3.13Å
44E94.7Very high91.9Very high26 Ų2656.6 Ų56.612%0.12132%0.321CS..THydrogen-bonded Turntrans-70.3-13174.771.7-77.6-178.600113.7V27 Y41 G42 H46 Y66 L67 I68V27-E44 HydrophobicContact CG2-CB 3.54Å; Y41-E44 WeakPolarHBondContact CA-OE1 3.33Å; G42-E44 VanDerWaalsContact CA-OE2 3.23Å; G42-E44 WeakPolarHBondContact CA-OE2 3.5Å; G42-E44 PolarHBondContact N-OE1 3.35Å; G42-E44 PolarHBondContact N-OE2 2.84Å; G42-E44 PolarHBondContact O-N 3.08Å; G42-E44 VanDerWaalsContact O-N 3.17Å; E44-H46 PolarHBondContact O-CD2 3.41Å; E44-Y66 HydrophobicContact CB-CE2 3.99Å; E44-Y66 HydrophobicContact CG-CE2 4.39Å; E44-L67 CarbonylContact O-C 3.58Å; E44-I68 HydrophobicContact CG-CD1 3.5Å; E44-I68 HydrophobicContact CG-CG1 3.82Å; E44-I68 PolarHBondContact O-N 2.92Å
45Y96.6Very high92.2Very high11 Ų1158.2 Ų58.24%0.04333%0.328CS..BIsolated β-bridgetrans-91.7119.7-177.5177-98.2000112.6C30 L34 H36 C37 P38 Y41 G42 V43 I68 D70 Y78C30-Y45 WeakPolarHBondContact CB-O 3.44Å; C30-Y45 PolarHBondContact SG-O 3.14Å; L34-Y45 HydrophobicContact CD1-CD1 3.49Å; L34-Y45 VanDerWaalsContact CD1-CD1 3.49Å; L34-Y45 HydrophobicContact CD1-CE1 3.69Å; L34-Y45 WeakPolarHBondContact CD1-O 3.31Å; H36-Y45 WeakPolarHBondContact O-CE1 3.47Å; C37-Y45 HydrophobicContact CB-CD1 4.25Å; C37-Y45 HydrophobicContact CB-CE1 4.46Å; C37-Y45 VanDerWaalsContact SG-CD1 3.57Å; P38-Y45 VanDerWaalsContact CD-CE1 3.47Å; P38-Y45 HydrophobicContact CG-CE2 3.97Å; Y41-Y45 AromaticContact CD2-CD2 3.95Å; Y41-Y45 HydrophobicContact CD2-CD2 3.95Å; Y41-Y45 HydrophobicContact CD2-CE2 4.47Å; G42-Y45 PolarHBondContact O-N 2.7Å; V43-Y45 PolarHBondContact O-N 3.13Å; Y45-I68 WeakPolarHBondContact CA-O 3.36Å; Y45-I68 HydrophobicContact CD2-CB 4.4Å; Y45-I68 HydrophobicContact CD2-CG2 4.08Å; Y45-D70 PolarHBondContact OH-OD1 3.05Å; Y45-D70 VanDerWaalsContact OH-OD1 3.08Å; Y45-D70 PolarHBondContact OH-OD2 2.98Å; Y45-Y78 AromaticContact CE2-CD1 3.99Å; Y45-Y78 HydrophobicContact CE2-CD1 3.99Å; Y45-Y78 HydrophobicContact CE2-CE1 4.05Å
46H95.6Very high92.8Very high7 Ų756.9 Ų56.93%0.03231%0.306CS..  trans-102.1-3.5-178.6-72.1-118.5000113.9I28 E44 I49 I68I28-H46 PolarHBondContact O-NE2 2.84Å; E44-H46 PolarHBondContact O-CD2 3.41Å; H46-I49 HydrophobicContact CB-CD1 3.63Å; H46-I49 HydrophobicContact CB-CG1 3.96Å; H46-I49 HydrophobicContact CB-CG2 4.17Å; H46-I68 PolarHBondContact N-O 3.05Å
47G92.9Very high93.1Very high1 Ų154.4 Ų54.41%0.0130%0.297CS..  trans69.4-145.7-176.200000113.2I49 R69 D70G47-I49 PolarHBondContact O-N 3.29Å; G47-R69 CarbonylContact O-C 3.56Å; G47-R69 VanDerWaalsContact O-CA 3.3Å; G47-R69 WeakPolarHBondContact O-CA 3.34Å; G47-R69 WeakPolarHBondContact O-CB 3.34Å; G47-D70 WeakPolarHBondContact CA-OD2 3.2Å; G47-D70 PolarHBondContact O-N 2.94Å
48P92Very high93.4Very high106 Ų10651.6 Ų51.669%0.68828%0.278SS*.SBendtrans-83.955-169.234.2-37000113.6D70P48-D70 HydrophobicContact CB-CB 4.25Å; P48-D70 VanDerWaalsContact CD-OD2 3.31Å; P48-D70 WeakPolarHBondContact CD-OD2 3.43Å; P48-D70 VanDerWaalsContact N-OD2 3.14Å
49I92.7Very high93.3Very high2 Ų254.3 Ų54.31%0.0130%0.297CS..  trans-78.1148.1174.559.9163.9000112.8H46 G47 E53 T54 L57 L67 R69H46-I49 HydrophobicContact CB-CD1 3.63Å; H46-I49 HydrophobicContact CB-CG1 3.96Å; H46-I49 HydrophobicContact CB-CG2 4.17Å; G47-I49 PolarHBondContact O-N 3.29Å; I49-E53 VanDerWaalsContact CA-OE2 3.3Å; I49-E53 WeakPolarHBondContact CA-OE2 3.46Å; I49-E53 HydrophobicContact CB-CG 4.19Å; I49-E53 VanDerWaalsContact CB-OE2 3.31Å; I49-E53 WeakPolarHBondContact CB-OE2 3.4Å; I49-E53 HydrophobicContact CG2-CG 4.41Å; I49-T54 WeakPolarHBondContact CD1-OG1 3.47Å; I49-L57 HydrophobicContact CD1-CD1 3.99Å; I49-L67 HydrophobicContact CD1-CD1 4.05Å; I49-L67 HydrophobicContact CD1-CD2 4.23Å; I49-R69 HydrophobicContact CD1-CB 4.18Å; I49-R69 HydrophobicContact CG1-CB 3.53Å; I49-R69 HydrophobicContact CG1-CG 4.32Å; I49-R69 PolarHBondContact O-NH1 3.08Å
50S93.2Very high93.3Very high40 Ų4055.9 Ų55.928%0.2830%0.298SS..  trans-75.3166.3-179.379.70000112.6E53 T54S50-E53 PolarHBondContact N-OE2 3.27Å; S50-E53 WeakPolarHBondContact OG-CB 3.47Å; S50-E53 PolarHBondContact OG-N 2.85Å; S50-E53 VanDerWaalsContact OG-N 3.13Å; S50-T54 WeakPolarHBondContact O-CB 3.29Å; S50-T54 PolarHBondContact O-N 3.05Å; S50-T54 PolarHBondContact O-OG1 3.32Å
51R93.2Very high93.3Very high128 Ų12854.3 Ų54.348%0.48329%0.293SS..Hα-helixtrans-63.6-48175.2-75.4-176172.9-157.1-6.8112.2E53 T54 E55R51-E53 PolarHBondContact O-N 3.25Å; R51-T54 VanDerWaalsContact O-CB 3.31Å; R51-T54 WeakPolarHBondContact O-CB 3.23Å; R51-T54 PolarHBondContact O-N 3.17Å; R51-T54 VanDerWaalsContact O-N 3.12Å; R51-E55 PolarHBondContact O-N 3.38Å
52Q93.4Very high93.3Very high131 Ų13159.1 Ų59.161%0.61232%0.32SS*.Hα-helixtrans-58-49.4177.6-178.6-171.2-31.900110.9T54 E55 E56Q52-T54 PolarHBondContact O-N 3.17Å; Q52-E55 CarbonylContact O-C 3.55Å; Q52-E55 WeakPolarHBondContact O-CA 3.28Å; Q52-E55 PolarHBondContact O-N 3.41Å; Q52-E56 HydrophobicContact CG-CG 4.5Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.36Å; Q52-E56 PolarHBondContact NE2-OE1 2.69Å; Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 3.48Å
53E93.6Very high93.3Very high45 Ų4559.4 Ų59.421%0.2131%0.312CS..Hα-helixtrans-60.4-32.8176.5180177.5-153.200112.9R32 I49 S50 R51 L57R32-E53 IonicContact CZ-OE1 2.97Å; R32-E53 IonicContact NH1-OE1 2.77Å; R32-E53 PolarHBondContact NH1-OE1 3.08Å; R32-E53 IonicContact NH2-OE1 2.77Å; R32-E53 PolarHBondContact NH2-OE1 3.34Å; I49-E53 VanDerWaalsContact CA-OE2 3.3Å; I49-E53 WeakPolarHBondContact CA-OE2 3.46Å; I49-E53 HydrophobicContact CB-CG 4.19Å; I49-E53 VanDerWaalsContact CB-OE2 3.31Å; I49-E53 WeakPolarHBondContact CB-OE2 3.4Å; I49-E53 HydrophobicContact CG2-CG 4.41Å; S50-E53 PolarHBondContact N-OE2 3.27Å; S50-E53 WeakPolarHBondContact OG-CB 3.47Å; S50-E53 PolarHBondContact OG-N 2.85Å; S50-E53 VanDerWaalsContact OG-N 3.13Å; R51-E53 PolarHBondContact O-N 3.25Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 WeakPolarHBondContact O-CD1 3.3Å; E53-L57 VanDerWaalsContact O-CG 3.24Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 3.22Å
54T94.6Very high93.4Very high2 Ų255 Ų551%0.01229%0.286CS..Hα-helixtrans-68.4-42.1172.3-55.30000111.5I49 S50 R51 Q52 L57 L58 L67 R69 V81I49-T54 WeakPolarHBondContact CD1-OG1 3.47Å; S50-T54 WeakPolarHBondContact O-CB 3.29Å; S50-T54 PolarHBondContact O-N 3.05Å; S50-T54 PolarHBondContact O-OG1 3.32Å; R51-T54 VanDerWaalsContact O-CB 3.31Å; R51-T54 WeakPolarHBondContact O-CB 3.23Å; R51-T54 PolarHBondContact O-N 3.17Å; R51-T54 VanDerWaalsContact O-N 3.12Å; Q52-T54 PolarHBondContact O-N 3.17Å; T54-L57 PolarHBondContact O-N 2.82Å; T54-L58 HydrophobicContact CG2-CD1 3.91Å; T54-L58 WeakPolarHBondContact O-CB 3.43Å; T54-L58 VanDerWaalsContact O-CG 3.26Å; T54-L58 WeakPolarHBondContact O-CG 3.3Å; T54-L58 PolarHBondContact O-N 3.07Å; T54-L67 HydrophobicContact CG2-CD1 3.95Å; T54-L67 HydrophobicContact CG2-CD2 4.3Å; T54-L67 HydrophobicContact CG2-CG 4.39Å; T54-R69 WeakPolarHBondContact OG1-CD 3.3Å; T54-R69 PolarHBondContact OG1-NE 3.47Å; T54-V81 HydrophobicContact CG2-CB 4.1Å; T54-V81 HydrophobicContact CG2-CG1 3.86Å; T54-V81 HydrophobicContact CG2-CG2 4.11Å
55E94Very high93.5Very high90 Ų9054 Ų5442%0.42128%0.282SS..Hα-helixtrans-70-35.4177.8-72.9161-160.500111.4R51 Q52 L58 S59 A88R51-E55 PolarHBondContact O-N 3.38Å; Q52-E55 CarbonylContact O-C 3.55Å; Q52-E55 WeakPolarHBondContact O-CA 3.28Å; Q52-E55 PolarHBondContact O-N 3.41Å; E55-L58 PolarHBondContact O-N 2.88Å; E55-S59 WeakPolarHBondContact O-CA 3.42Å; E55-S59 WeakPolarHBondContact O-CB 3.34Å; E55-S59 PolarHBondContact O-N 3.13Å; E55-A88 HydrophobicContact CG-CB 3.91Å
56E93.9Very high93.6Very high108 Ų10854.2 Ų54.251%0.50528%0.283SS..Hα-helixtrans-61.2-47170.5-73.3167.3-176.500111.4Q52 L58 S59Q52-E56 HydrophobicContact CG-CG 4.5Å; Q52-E56 WeakPolarHBondContact CG-OE1 3.36Å; Q52-E56 PolarHBondContact NE2-OE1 2.69Å; Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 3.48Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.31Å; E56-S59 PolarHBondContact O-N 2.91Å; E56-S59 PolarHBondContact O-OG 3.48Å
57L93.4Very high93.6Very high66 Ų6653.9 Ų53.935%0.34628%0.281SS..Hα-helixtrans-63.4-31.2175.9-74.6168.2000113.5I49 E53 T54 L67I49-L57 HydrophobicContact CD1-CD1 3.99Å; E53-L57 WeakPolarHBondContact O-CB 3.09Å; E53-L57 WeakPolarHBondContact O-CD1 3.3Å; E53-L57 VanDerWaalsContact O-CG 3.24Å; E53-L57 WeakPolarHBondContact O-CG 3.37Å; E53-L57 PolarHBondContact O-N 3.22Å; T54-L57 PolarHBondContact O-N 2.82Å; L57-L67 HydrophobicContact CD1-CD2 4.36Å
58L94Very high93.9Very high0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-93.4-15.8-179.4-64.5172.8000113.6I28 T54 E55 E56 N60 A61 V81 W83 A88I28-L58 HydrophobicContact CG1-CD2 3.84Å; T54-L58 HydrophobicContact CG2-CD1 3.91Å; T54-L58 WeakPolarHBondContact O-CB 3.43Å; T54-L58 VanDerWaalsContact O-CG 3.26Å; T54-L58 WeakPolarHBondContact O-CG 3.3Å; T54-L58 PolarHBondContact O-N 3.07Å; E55-L58 PolarHBondContact O-N 2.88Å; E56-L58 VanDerWaalsContact C-N 3.29Å; E56-L58 PolarHBondContact O-N 3.31Å; L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 2.79Å; L58-A61 HydrophobicContact CD2-CB 4.48Å; L58-A61 VanDerWaalsContact O-CB 3.23Å; L58-A61 WeakPolarHBondContact O-CB 3.21Å; L58-A61 PolarHBondContact O-N 2.92Å; L58-V81 HydrophobicContact CD1-CG1 3.82Å; L58-W83 HydrophobicContact CB-CB 4.4Å; L58-W83 HydrophobicContact CB-CD2 3.74Å; L58-W83 HydrophobicContact CB-CE3 3.7Å; L58-W83 HydrophobicContact CB-CG 4.08Å; L58-W83 HydrophobicContact CB-CZ3 4.17Å; L58-W83 HydrophobicContact CD1-CB 4.25Å; L58-W83 HydrophobicContact CD1-CE3 4.12Å; L58-W83 HydrophobicContact CD2-CB 4.13Å; L58-W83 HydrophobicContact CG-CB 4.49Å; L58-W83 WeakPolarHBondContact O-CZ2 3.32Å; L58-W83 PolarHBondContact O-NE1 3.26Å; L58-W83 VanDerWaalsContact O-NE1 3.08Å; L58-A88 HydrophobicContact CD1-CB 4.43Å
59S91Very high94Very high59 Ų5949 Ų4941%0.41325%0.249SC..Hα-helixtrans-52.3-42.9-173.961.20000114.2E55 E56E55-S59 WeakPolarHBondContact O-CA 3.42Å; E55-S59 WeakPolarHBondContact O-CB 3.34Å; E55-S59 PolarHBondContact O-N 3.13Å; E56-S59 PolarHBondContact O-N 2.91Å; E56-S59 PolarHBondContact O-OG 3.48Å
60N89.8Confident94.1Very high160 Ų16050.7 Ų50.786%0.85626%0.258SS*.THydrogen-bonded Turntrans-96.810179.6-63.5-68.2000113.1L58L58-N60 VanDerWaalsContact C-N 3.3Å; L58-N60 PolarHBondContact O-N 2.79Å
61A91.6Very high94Very high12 Ų1249.9 Ų49.910%0.09925%0.252CS..PPolyproline II helixtrans-92.1153.3-174.900000113I28 L58 W83 K86I28-A61 HydrophobicContact CD1-CB 4.2Å; L58-A61 HydrophobicContact CD2-CB 4.48Å; L58-A61 VanDerWaalsContact O-CB 3.23Å; L58-A61 WeakPolarHBondContact O-CB 3.21Å; L58-A61 PolarHBondContact O-N 2.92Å; A61-W83 PolarHBondContact O-NE1 3.48Å; A61-W83 VanDerWaalsContact O-NE1 3.13Å; A61-K86 PolarHBondContact O-NZ 3.1Å
62D93.1Very high93.7Very high118 Ų11850.3 Ų50.363%0.63126%0.259SS*.PPolyproline II helixtrans-71.7148.9173.9-72.2-48000111.8G64 S65D62-G64 PolarHBondContact O-N 3.03Å; D62-S65 WeakPolarHBondContact O-CB 3.17Å; D62-S65 PolarHBondContact O-N 2.81Å; D62-S65 PolarHBondContact O-OG 2.85Å
63D93.3Very high93.3Very high44 Ų4454.8 Ų54.824%0.23527%0.271CS..THydrogen-bonded Turntrans-62.8134.6177.8-75.961.7000110.7P23 D85 K86P23-D63 WeakPolarHBondContact CB-O 3.06Å; D63-D85 VanDerWaalsContact OD2-CA 3.3Å; D63-D85 WeakPolarHBondContact OD2-CA 3.36Å; D63-D85 PolarHBondContact OD2-N 2.88Å; D63-K86 WeakPolarHBondContact OD1-CD 3.39Å; D63-K86 WeakPolarHBondContact OD1-CE 3.37Å; D63-K86 IonicContact OD1-NZ 3.15Å; D63-K86 PolarHBondContact OD1-NZ 3.05Å; D63-K86 PolarHBondContact OD2-N 3.37Å
64G94.9Very high93Very high0 Ų055.1 Ų55.10%028%0.281CS..THydrogen-bonded Turntrans97.8-7-165.800000114.4H26 D62 W83H26-G64 PolarHBondContact N-O 2.85Å; D62-G64 PolarHBondContact O-N 3.03Å; G64-W83 PolarHBondContact N-O 3.43Å
65S97.1Very high92.5Very high5 Ų563.6 Ų63.64%0.03532%0.321CS..EExtended strand (participates in β ladder)trans-66.1137.3175.4-70.60000112.5H26 D62 W83H26-S65 CarbonylContact O-C 3.06Å; H26-S65 WeakPolarHBondContact O-CA 3.38Å; D62-S65 WeakPolarHBondContact O-CB 3.17Å; D62-S65 PolarHBondContact O-N 2.81Å; D62-S65 PolarHBondContact O-OG 2.85Å; S65-W83 VanDerWaalsContact O-CB 3.28Å; S65-W83 WeakPolarHBondContact O-CB 3.24Å; S65-W83 PolarHBondContact O-N 2.92Å
66Y97.8Very high92.2Very high14 Ų1465.8 Ų65.86%0.05534%0.335CS..EExtended strand (participates in β ladder)trans-145.2157.5-176.877.3-85.9000114.3P25 H26 V27 I28 E44 L80 V81 V112 V116P25-Y66 HydrophobicContact CB-CD1 4.25Å; P25-Y66 HydrophobicContact CB-CE1 3.93Å; H26-Y66 WeakPolarHBondContact O-CD1 3.21Å; H26-Y66 PolarHBondContact O-N 2.95Å; V27-Y66 HydrophobicContact CB-CE1 4.01Å; I28-Y66 PolarHBondContact N-O 2.78Å; E44-Y66 HydrophobicContact CB-CE2 3.99Å; E44-Y66 HydrophobicContact CG-CE2 4.39Å; Y66-L80 HydrophobicContact CD2-CD1 3.97Å; Y66-V81 WeakPolarHBondContact CA-O 3.33Å; Y66-V81 WeakPolarHBondContact CB-O 3.49Å; Y66-V112 HydrophobicContact CD2-CG1 4.42Å; Y66-V112 HydrophobicContact CE2-CG1 3.91Å; Y66-V116 HydrophobicContact CD1-CB 4.28Å; Y66-V116 HydrophobicContact CD1-CG1 3.74Å; Y66-V116 HydrophobicContact CD1-CG2 4.14Å; Y66-V116 HydrophobicContact CD2-CG2 3.77Å; Y66-V116 HydrophobicContact CE1-CG1 4.36Å; Y66-V116 HydrophobicContact CE1-CG2 4.46Å; Y66-V116 HydrophobicContact CE2-CG2 4.12Å; Y66-V116 HydrophobicContact CG-CB 4.38Å; Y66-V116 HydrophobicContact CG-CG1 3.96Å; Y66-V116 HydrophobicContact CG-CG2 3.77Å
67L97.2Very high92.1Very high0 Ų061.5 Ų61.50%032%0.318CS..EExtended strand (participates in β ladder)trans-151.9167.417162.276.5000112.2I28 E44 I49 T54 L57 R69 V81I28-L67 HydrophobicContact CB-CB 4.48Å; I28-L67 HydrophobicContact CG2-CD2 4.45Å; E44-L67 CarbonylContact O-C 3.58Å; I49-L67 HydrophobicContact CD1-CD1 4.05Å; I49-L67 HydrophobicContact CD1-CD2 4.23Å; T54-L67 HydrophobicContact CG2-CD1 3.95Å; T54-L67 HydrophobicContact CG2-CD2 4.3Å; T54-L67 HydrophobicContact CG2-CG 4.39Å; L57-L67 HydrophobicContact CD1-CD2 4.36Å; L67-R69 HydrophobicContact CD1-CB 4.28Å; L67-R69 HydrophobicContact CD1-CG 4.39Å; L67-V81 HydrophobicContact CD1-CB 4.27Å; L67-V81 HydrophobicContact CD1-CG2 4.41Å; L67-V81 PolarHBondContact N-O 3.27Å; L67-V81 PolarHBondContact O-N 2.79Å
68I97.2Very high92.2Very high0 Ų059.7 Ų59.70%031%0.307CS..EExtended strand (participates in β ladder)trans-115.4138173.4-51.7176.9000109Y41 E44 Y45 H46 T79 L80 L93 V112Y41-I68 HydrophobicContact CD1-CD1 3.36Å; Y41-I68 HydrophobicContact CD2-CD1 4.46Å; Y41-I68 HydrophobicContact CD2-CG2 4.48Å; Y41-I68 HydrophobicContact CE1-CD1 3.62Å; Y41-I68 HydrophobicContact CE2-CG2 4.32Å; Y41-I68 HydrophobicContact CG-CD1 3.85Å; E44-I68 HydrophobicContact CG-CD1 3.5Å; E44-I68 HydrophobicContact CG-CG1 3.82Å; E44-I68 PolarHBondContact O-N 2.92Å; Y45-I68 WeakPolarHBondContact CA-O 3.36Å; Y45-I68 HydrophobicContact CD2-CB 4.4Å; Y45-I68 HydrophobicContact CD2-CG2 4.08Å; H46-I68 PolarHBondContact N-O 3.05Å; I68-T79 WeakPolarHBondContact CA-O 3.39Å; I68-L80 HydrophobicContact CG1-CD1 4.19Å; I68-L93 HydrophobicContact CD1-CD2 3.7Å; I68-L93 HydrophobicContact CG1-CD2 4.17Å; I68-L93 HydrophobicContact CG2-CD2 4.27Å; I68-V112 HydrophobicContact CD1-CG1 4.17Å; I68-V112 HydrophobicContact CD1-CG2 4.08Å
69R95.4Very high92.4Very high5 Ų560.5 Ų60.52%0.01931%0.312CS..EExtended strand (participates in β ladder)trans-141.9163.1176.464.6-173.5-17077.612.4111.4G47 I49 T54 L67 T79 V81 N90G47-R69 CarbonylContact O-C 3.56Å; G47-R69 VanDerWaalsContact O-CA 3.3Å; G47-R69 WeakPolarHBondContact O-CA 3.34Å; G47-R69 WeakPolarHBondContact O-CB 3.34Å; I49-R69 HydrophobicContact CD1-CB 4.18Å; I49-R69 HydrophobicContact CG1-CB 3.53Å; I49-R69 HydrophobicContact CG1-CG 4.32Å; I49-R69 PolarHBondContact O-NH1 3.08Å; T54-R69 WeakPolarHBondContact OG1-CD 3.3Å; T54-R69 PolarHBondContact OG1-NE 3.47Å; L67-R69 HydrophobicContact CD1-CB 4.28Å; L67-R69 HydrophobicContact CD1-CG 4.39Å; R69-T79 PolarHBondContact N-O 3.13Å; R69-T79 PolarHBondContact O-N 3.44Å; R69-V81 HydrophobicContact CG-CG2 4.36Å; R69-N90 PolarHBondContact NH2-OD1 3.42Å
70D94.7Very high92.6Very high38 Ų3857.7 Ų57.720%0.20329%0.292CS..EExtended strand (participates in β ladder)trans-70148.4179.5-63.7-42.2000112.8Y45 G47 P48 Q72 Y78Y45-D70 PolarHBondContact OH-OD1 3.05Å; Y45-D70 VanDerWaalsContact OH-OD1 3.08Å; Y45-D70 PolarHBondContact OH-OD2 2.98Å; G47-D70 WeakPolarHBondContact CA-OD2 3.2Å; G47-D70 PolarHBondContact O-N 2.94Å; P48-D70 HydrophobicContact CB-CB 4.25Å; P48-D70 VanDerWaalsContact CD-OD2 3.31Å; P48-D70 WeakPolarHBondContact CD-OD2 3.43Å; P48-D70 VanDerWaalsContact N-OD2 3.14Å; D70-Q72 PolarHBondContact O-N 2.84Å; D70-Y78 WeakPolarHBondContact OD1-CD1 3.42Å; D70-Y78 WeakPolarHBondContact OD1-CE1 3.23Å
71S91.5Very high93Very high23 Ų2350 Ų5016%0.16125%0.252CS..  trans-79.5107.4173.9177.20000110.8R73 A74 A77S71-R73 PolarHBondContact O-N 2.94Å; S71-R73 PolarHBondContact OG-N 2.77Å; S71-A74 PolarHBondContact O-N 2.83Å; S71-A74 VanDerWaalsContact O-N 3.13Å; S71-A74 VanDerWaalsContact O-O 3.07Å; S71-A77 WeakPolarHBondContact CB-O 3.37Å; S71-A77 PolarHBondContact N-O 2.96Å
72Q85.8Confident93.3Very high136 Ų13649.6 Ų49.664%0.63625%0.248SC*.THydrogen-bonded Turntrans-57.6-5.8168.5-65175.2-3700114.3D70D70-Q72 PolarHBondContact O-N 2.84Å
73R86.1Confident93.4Very high225 Ų22545 Ų4585%0.84922%0.221SC*.THydrogen-bonded Turntrans-100-16179-66.8-175.2173.3-170.8-2.7114.5S71S71-R73 PolarHBondContact O-N 2.94Å; S71-R73 PolarHBondContact OG-N 2.77Å
74A86.9Confident93.6Very high52 Ų5243 Ų4343%0.4321%0.211SC..SBendtrans-164.5133.5-177.600000111.4S71 A77S71-A74 PolarHBondContact O-N 2.83Å; S71-A74 VanDerWaalsContact O-N 3.13Å; S71-A74 VanDerWaalsContact O-O 3.07Å; A74-A77 HydrophobicContact CB-CB 4.05Å; A74-A77 PolarHBondContact O-N 3.18Å
75E84.8Confident93.5Very high181 Ų18146 Ų4685%0.84623%0.227SC*.THydrogen-bonded Turntrans-59.2147.2172.4-62.7178.2-176.600111.6A77E75-A77 PolarHBondContact O-N 3.02Å
76N86.2Confident93.2Very high136 Ų13651 Ų5173%0.72725%0.247SC*.THydrogen-bonded Turntrans56.515.9-178.3-57.4-61.3000115.5Y78N76-Y78 WeakPolarHBondContact O-CE2 3.46Å
77A93.4Very high93.1Very high18 Ų1854.6 Ų54.615%0.14927%0.271CS..  trans-107.8143171.600000111S71 A74 E75S71-A77 WeakPolarHBondContact CB-O 3.37Å; S71-A77 PolarHBondContact N-O 2.96Å; A74-A77 HydrophobicContact CB-CB 4.05Å; A74-A77 PolarHBondContact O-N 3.18Å; E75-A77 PolarHBondContact O-N 3.02Å
78Y95.4Very high93Very high28 Ų2855.2 Ų55.211%0.1128%0.276CS..EExtended strand (participates in β ladder)trans-118.5148.9-172.3-51.4-74.6000111.4P38 Y41 Y45 D70 N76 L93P38-Y78 HydrophobicContact CG-CE1 3.57Å; P38-Y78 WeakPolarHBondContact CG-OH 3.13Å; Y41-Y78 AromaticContact CE2-CD1 3.89Å; Y41-Y78 HydrophobicContact CE2-CD1 3.89Å; Y41-Y78 AromaticContact CE2-CD2 3.71Å; Y41-Y78 HydrophobicContact CE2-CD2 3.71Å; Y41-Y78 HydrophobicContact CE2-CE1 4.21Å; Y41-Y78 HydrophobicContact CE2-CE2 4.05Å; Y41-Y78 AromaticContact CE2-CG 3.63Å; Y41-Y78 HydrophobicContact CE2-CG 3.63Å; Y41-Y78 AromaticContact CZ-CD2 4Å; Y41-Y78 WeakPolarHBondContact OH-CD2 3.43Å; Y45-Y78 AromaticContact CE2-CD1 3.99Å; Y45-Y78 HydrophobicContact CE2-CD1 3.99Å; Y45-Y78 HydrophobicContact CE2-CE1 4.05Å; D70-Y78 WeakPolarHBondContact OD1-CD1 3.42Å; D70-Y78 WeakPolarHBondContact OD1-CE1 3.23Å; N76-Y78 WeakPolarHBondContact O-CE2 3.46Å; Y78-L93 PolarHBondContact O-N 3.01Å
79T96.4Very high92.9Very high16 Ų1657.9 Ų57.910%0.09829%0.288CS..EExtended strand (participates in β ladder)trans-116116.4176.6-47.70000108.8I68 R69 V81 N90 F91I68-T79 WeakPolarHBondContact CA-O 3.39Å; R69-T79 PolarHBondContact N-O 3.13Å; R69-T79 PolarHBondContact O-N 3.44Å; T79-V81 HydrophobicContact CG2-CG2 4.06Å; T79-N90 HydrophobicContact CG2-CB 4.13Å; T79-F91 CarbonylContact C-O 3.59Å; T79-F91 WeakPolarHBondContact CA-O 3.17Å
80L97Very high92.9Very high0 Ų060.2 Ų60.20%030%0.301CS..EExtended strand (participates in β ladder)trans-78.4132.6164.1175.463.3000108.1Y66 I68 I82 F91 L93 V112 L115 V116Y66-L80 HydrophobicContact CD2-CD1 3.97Å; I68-L80 HydrophobicContact CG1-CD1 4.19Å; L80-I82 HydrophobicContact CD1-CG1 4.46Å; L80-I82 HydrophobicContact CD2-CD1 4.09Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.39Å; L80-I82 HydrophobicContact CG-CG1 4.09Å; L80-F91 PolarHBondContact N-O 2.68Å; L80-F91 PolarHBondContact O-N 3.09Å; L80-L93 HydrophobicContact CB-CB 4.1Å; L80-L93 HydrophobicContact CB-CD2 4.32Å; L80-L93 HydrophobicContact CD2-CD1 4.5Å; L80-V112 HydrophobicContact CD1-CG1 4.06Å; L80-L115 HydrophobicContact CD2-CD2 3.57Å; L80-V116 HydrophobicContact CD1-CG2 3.95Å; L80-V116 HydrophobicContact CD2-CG2 3.98Å; L80-V116 HydrophobicContact CG-CG2 4.49Å
81V97.2Very high93Very high0 Ų061 Ų610%030%0.303CS..EExtended strand (participates in β ladder)trans-121.6127.2174.5-172.20000108.9T54 L58 Y66 L67 R69 T79 A88 K89T54-V81 HydrophobicContact CG2-CB 4.1Å; T54-V81 HydrophobicContact CG2-CG1 3.86Å; T54-V81 HydrophobicContact CG2-CG2 4.11Å; L58-V81 HydrophobicContact CD1-CG1 3.82Å; Y66-V81 WeakPolarHBondContact CA-O 3.33Å; Y66-V81 WeakPolarHBondContact CB-O 3.49Å; L67-V81 HydrophobicContact CD1-CB 4.27Å; L67-V81 HydrophobicContact CD1-CG2 4.41Å; L67-V81 PolarHBondContact N-O 3.27Å; L67-V81 PolarHBondContact O-N 2.79Å; R69-V81 HydrophobicContact CG-CG2 4.36Å; T79-V81 HydrophobicContact CG2-CG2 4.06Å; V81-A88 HydrophobicContact CG1-CB 3.92Å; V81-K89 WeakPolarHBondContact CA-O 3.31Å
82I97Very high93.1Very high3 Ų365.2 Ų65.22%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-120128.5-179.4-55.9174.1000108.4L80 K89 F91 V116 L120 F123L80-I82 HydrophobicContact CD1-CG1 4.46Å; L80-I82 HydrophobicContact CD2-CD1 4.09Å; L80-I82 HydrophobicContact CD2-CG1 4.33Å; L80-I82 HydrophobicContact CG-CD1 4.39Å; L80-I82 HydrophobicContact CG-CG1 4.09Å; I82-K89 PolarHBondContact N-O 3.49Å; I82-K89 PolarHBondContact O-N 3.36Å; I82-F91 HydrophobicContact CD1-CD2 4.18Å; I82-F91 HydrophobicContact CD1-CE2 4.13Å; I82-V116 HydrophobicContact CD1-CB 4.46Å; I82-V116 HydrophobicContact CD1-CG1 4.16Å; I82-V116 HydrophobicContact CD1-CG2 4.18Å; I82-V116 HydrophobicContact CG1-CG1 4.28Å; I82-V116 HydrophobicContact CG1-CG2 4.33Å; I82-V116 HydrophobicContact CG2-CG1 4.41Å; I82-L120 HydrophobicContact CG2-CD2 3.52Å; I82-L120 HydrophobicContact CG2-CG 4.19Å; I82-F123 HydrophobicContact CD1-CE2 4.15Å; I82-F123 HydrophobicContact CD1-CZ 4.49Å; I82-F123 HydrophobicContact CG2-CE2 4.27Å
83W97Very high93.6Very high21 Ų2158.9 Ų58.98%0.0829%0.288CS..EExtended strand (participates in β ladder)trans-88.8117.3176.3-167-125.2000110.2L58 A61 G64 S65 K86 V87 A88L58-W83 HydrophobicContact CB-CB 4.4Å; L58-W83 HydrophobicContact CB-CD2 3.74Å; L58-W83 HydrophobicContact CB-CE3 3.7Å; L58-W83 HydrophobicContact CB-CG 4.08Å; L58-W83 HydrophobicContact CB-CZ3 4.17Å; L58-W83 HydrophobicContact CD1-CB 4.25Å; L58-W83 HydrophobicContact CD1-CE3 4.12Å; L58-W83 HydrophobicContact CD2-CB 4.13Å; L58-W83 HydrophobicContact CG-CB 4.49Å; L58-W83 WeakPolarHBondContact O-CZ2 3.32Å; L58-W83 PolarHBondContact O-NE1 3.26Å; L58-W83 VanDerWaalsContact O-NE1 3.08Å; A61-W83 PolarHBondContact O-NE1 3.48Å; A61-W83 VanDerWaalsContact O-NE1 3.13Å; G64-W83 PolarHBondContact N-O 3.43Å; S65-W83 VanDerWaalsContact O-CB 3.28Å; S65-W83 WeakPolarHBondContact O-CB 3.24Å; S65-W83 PolarHBondContact O-N 2.92Å; W83-K86 VanDerWaalsContact CH2-O 3.29Å; W83-K86 WeakPolarHBondContact CH2-O 3.21Å; W83-K86 HydrophobicContact CZ2-CB 4.11Å; W83-K86 HydrophobicContact CZ2-CD 4.06Å; W83-V87 VanDerWaalsContact CE3-C 3.45Å; W83-A88 HydrophobicContact CE3-CB 3.98Å; W83-A88 HydrophobicContact CZ3-CB 3.97Å
84F96Very high94Very high3 Ų352.9 Ų52.91%0.01327%0.266CS..EExtended strand (participates in β ladder)trans-154.2131.9-174.9-178.6-83.3000111.5P23 K86 V87 K89 L120 F123 Y124P23-F84 HydrophobicContact CG-CD2 4.2Å; P23-F84 HydrophobicContact CG-CE2 4.11Å; F84-K86 PolarHBondContact O-N 2.98Å; F84-V87 PolarHBondContact N-O 3.48Å; F84-V87 PolarHBondContact O-N 3.07Å; F84-K89 HydrophobicContact CB-CD 4.23Å; F84-K89 HydrophobicContact CD1-CD 4.5Å; F84-L120 HydrophobicContact CB-CD2 4.44Å; F84-L120 HydrophobicContact CD2-CD2 3.73Å; F84-F123 HydrophobicContact CB-CD2 4.3Å; F84-F123 HydrophobicContact CD1-CB 3.98Å; F84-F123 HydrophobicContact CD1-CD2 4.43Å; F84-F123 HydrophobicContact CD2-CB 4.04Å; F84-F123 HydrophobicContact CD2-CD2 4.11Å; F84-F123 HydrophobicContact CE1-CB 3.64Å; F84-F123 HydrophobicContact CE2-CB 3.73Å; F84-F123 HydrophobicContact CG-CB 4.16Å; F84-F123 HydrophobicContact CG-CD2 4.01Å; F84-F123 HydrophobicContact CZ-CB 3.52Å; F84-Y124 HydrophobicContact CE2-CD2 4.16Å; F84-Y124 HydrophobicContact CZ-CD2 4.28Å
85D93.7Very high94.4Very high62 Ų6253.3 Ų53.333%0.33226%0.259SS..THydrogen-bonded Turntrans47.443.2-169.4-71-30.1000111.6D63 V87 R128D63-D85 VanDerWaalsContact OD2-CA 3.3Å; D63-D85 WeakPolarHBondContact OD2-CA 3.36Å; D63-D85 PolarHBondContact OD2-N 2.88Å; D85-V87 VanDerWaalsContact C-N 3.25Å; D85-V87 PolarHBondContact O-N 2.7Å; D85-R128 IonicContact OD1-CZ 2.68Å; D85-R128 IonicContact OD1-NH1 3.75Å; D85-R128 PolarHBondContact OD1-NH1 2.81Å; D85-R128 VanDerWaalsContact OD1-NH1 3.09Å; D85-R128 IonicContact OD1-NH2 3.54Å; D85-R128 PolarHBondContact OD1-NH2 3.08Å; D85-R128 IonicContact OD2-CZ 3.44Å; D85-R128 IonicContact OD2-NH1 2.68Å; D85-R128 PolarHBondContact OD2-NH1 3.32Å; D85-R128 IonicContact OD2-NH2 3.35Å
86K91.5Very high94.9Very high109 Ų10946 Ų4647%0.47423%0.225SC..THydrogen-bonded Turntrans52.332.7-174.1-55.9-51.3-172.7-159.70115.6A61 D63 W83 F84A61-K86 PolarHBondContact O-NZ 3.1Å; D63-K86 WeakPolarHBondContact OD1-CD 3.39Å; D63-K86 WeakPolarHBondContact OD1-CE 3.37Å; D63-K86 IonicContact OD1-NZ 3.15Å; D63-K86 PolarHBondContact OD1-NZ 3.05Å; D63-K86 PolarHBondContact OD2-N 3.37Å; W83-K86 VanDerWaalsContact CH2-O 3.29Å; W83-K86 WeakPolarHBondContact CH2-O 3.21Å; W83-K86 HydrophobicContact CZ2-CB 4.11Å; W83-K86 HydrophobicContact CZ2-CD 4.06Å; F84-K86 PolarHBondContact O-N 2.98Å
87V94.2Very high95.2Very high90 Ų9044.3 Ų44.355%0.54522%0.222SC..EExtended strand (participates in β ladder)trans-126.8139173.3179.30000111.3W83 F84 D85 K89W83-V87 VanDerWaalsContact CE3-C 3.45Å; F84-V87 PolarHBondContact N-O 3.48Å; F84-V87 PolarHBondContact O-N 3.07Å; D85-V87 VanDerWaalsContact C-N 3.25Å; D85-V87 PolarHBondContact O-N 2.7Å; V87-K89 PolarHBondContact O-N 2.77Å
88A95.3Very high95.2Very high14 Ų1451.2 Ų51.212%0.11626%0.255CS..EExtended strand (participates in β ladder)trans-81.491.2177.600000112E55 L58 V81 W83 N90E55-A88 HydrophobicContact CG-CB 3.91Å; L58-A88 HydrophobicContact CD1-CB 4.43Å; V81-A88 HydrophobicContact CG1-CB 3.92Å; W83-A88 HydrophobicContact CE3-CB 3.98Å; W83-A88 HydrophobicContact CZ3-CB 3.97Å; A88-N90 PolarHBondContact O-N 3.19Å; A88-N90 PolarHBondContact O-ND2 3.43Å
89K95.3Very high95.1Very high55 Ų5553.2 Ų53.224%0.23927%0.27CS..EExtended strand (participates in β ladder)trans-75113.7176.1-61.6-175.8177.7179.50109.9V81 I82 F84 V87 F91 F123V81-K89 WeakPolarHBondContact CA-O 3.31Å; I82-K89 PolarHBondContact N-O 3.49Å; I82-K89 PolarHBondContact O-N 3.36Å; F84-K89 HydrophobicContact CB-CD 4.23Å; F84-K89 HydrophobicContact CD1-CD 4.5Å; V87-K89 PolarHBondContact O-N 2.77Å; K89-F91 HydrophobicContact CB-CD2 4.5Å; K89-F91 HydrophobicContact CB-CE2 3.5Å; K89-F91 HydrophobicContact CB-CZ 3.84Å; K89-F123 HydrophobicContact CD-CD1 4.37Å; K89-F123 HydrophobicContact CD-CD2 3.82Å; K89-F123 HydrophobicContact CD-CE1 4.34Å; K89-F123 HydrophobicContact CD-CE2 3.78Å; K89-F123 HydrophobicContact CD-CG 4.16Å; K89-F123 HydrophobicContact CD-CZ 4.08Å; K89-F123 VanDerWaalsContact NZ-CG 3.32Å
90N95.7Very high94.9Very high54 Ų5460 Ų6029%0.28930%0.298SS..EExtended strand (participates in β ladder)trans-100.1124-175.6-80.1-114.2000110.7R69 T79 A88R69-N90 PolarHBondContact NH2-OD1 3.42Å; T79-N90 HydrophobicContact CG2-CB 4.13Å; A88-N90 PolarHBondContact O-N 3.19Å; A88-N90 PolarHBondContact O-ND2 3.43Å
91F95.7Very high94.8Very high56 Ų5662 Ų6225%0.24631%0.308CS..EExtended strand (participates in β ladder)trans-124.6138.3-179.9-59.7-78.9000111.5T79 L80 I82 K89 L93 V104 F123T79-F91 CarbonylContact C-O 3.59Å; T79-F91 WeakPolarHBondContact CA-O 3.17Å; L80-F91 PolarHBondContact N-O 2.68Å; L80-F91 PolarHBondContact O-N 3.09Å; I82-F91 HydrophobicContact CD1-CD2 4.18Å; I82-F91 HydrophobicContact CD1-CE2 4.13Å; K89-F91 HydrophobicContact CB-CD2 4.5Å; K89-F91 HydrophobicContact CB-CE2 3.5Å; K89-F91 HydrophobicContact CB-CZ 3.84Å; F91-L93 PolarHBondContact O-N 2.88Å; F91-V104 HydrophobicContact CB-CG1 4Å; F91-V104 HydrophobicContact CB-CG2 4.05Å; F91-V104 HydrophobicContact CD1-CG1 4Å; F91-V104 HydrophobicContact CG-CG1 4.25Å; F91-F123 HydrophobicContact CE1-CZ 4.32Å; F91-F123 HydrophobicContact CE2-CE1 4.45Å; F91-F123 HydrophobicContact CE2-CE2 4.15Å; F91-F123 AromaticContact CE2-CZ 3.53Å; F91-F123 HydrophobicContact CE2-CZ 3.53Å; F91-F123 AromaticContact CZ-CE1 3.79Å; F91-F123 HydrophobicContact CZ-CE1 3.79Å; F91-F123 HydrophobicContact CZ-CE2 4.25Å; F91-F123 AromaticContact CZ-CZ 3.3Å; F91-F123 HydrophobicContact CZ-CZ 3.3Å
92K95.1Very high94.8Very high110 Ų11062.6 Ų62.648%0.47831%0.311SS..EExtended strand (participates in β ladder)trans-73.7114.3171.5-175.3178.1173.2-162.10109Y94K92-Y94 HydrophobicContact CB-CE2 4.46Å; K92-Y94 HydrophobicContact CD-CE1 4.28Å; K92-Y94 HydrophobicContact CD-CE2 4.12Å; K92-Y94 WeakPolarHBondContact CD-OH 3.34Å; K92-Y94 VanDerWaalsContact CE-CZ 3.49Å; K92-Y94 WeakPolarHBondContact CE-OH 3.47Å; K92-Y94 HydrophobicContact CG-CE2 4.08Å; K92-Y94 PolarHBondContact NZ-OH 3.27Å
93L95.7Very high94.7Very high4 Ų464.7 Ų64.72%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-90132.9-177.5-175.162.3000110.2Y41 I68 Y78 L80 F91 H102 V104 L115Y41-L93 HydrophobicContact CE1-CD2 3.65Å; I68-L93 HydrophobicContact CD1-CD2 3.7Å; I68-L93 HydrophobicContact CG1-CD2 4.17Å; I68-L93 HydrophobicContact CG2-CD2 4.27Å; Y78-L93 PolarHBondContact O-N 3.01Å; L80-L93 HydrophobicContact CB-CB 4.1Å; L80-L93 HydrophobicContact CB-CD2 4.32Å; L80-L93 HydrophobicContact CD2-CD1 4.5Å; F91-L93 PolarHBondContact O-N 2.88Å; L93-H102 HydrophobicContact CD1-CB 4.42Å; L93-V104 HydrophobicContact CD1-CG2 4.12Å; L93-L115 HydrophobicContact CD1-CD1 3.96Å
94Y95.6Very high94.5Very high98 Ų9864.8 Ų64.838%0.38432%0.323SS..EExtended strand (participates in β ladder)trans-116.8158.3173.5-60.8-90000110.7K92 H102 F103K92-Y94 HydrophobicContact CB-CE2 4.46Å; K92-Y94 HydrophobicContact CD-CE1 4.28Å; K92-Y94 HydrophobicContact CD-CE2 4.12Å; K92-Y94 WeakPolarHBondContact CD-OH 3.34Å; K92-Y94 VanDerWaalsContact CE-CZ 3.49Å; K92-Y94 WeakPolarHBondContact CE-OH 3.47Å; K92-Y94 HydrophobicContact CG-CE2 4.08Å; K92-Y94 PolarHBondContact NZ-OH 3.27Å; Y94-H102 WeakPolarHBondContact O-CA 3.48Å; Y94-F103 VanDerWaalsContact CB-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CD2 4.21Å; Y94-F103 AromaticContact CD2-CE2 3.99Å; Y94-F103 HydrophobicContact CD2-CE2 3.99Å; Y94-F103 HydrophobicContact CG-CD2 4.3Å; Y94-F103 AromaticContact CG-CE2 3.8Å; Y94-F103 HydrophobicContact CG-CE2 3.8Å; Y94-F103 AromaticContact CG-CZ 3.99Å; Y94-F103 HydrophobicContact CG-CZ 3.99Å; Y94-F103 PolarHBondContact N-O 2.87Å; Y94-F103 PolarHBondContact O-N 2.92Å
95F95.1Very high94.1Very high61 Ų6166.3 Ų66.327%0.26834%0.339SS..EExtended strand (participates in β ladder)trans-136.6131.7176.1178.7-107.6000109.2Q40 P97 K100 Q101 H102Q40-F95 HydrophobicContact CB-CD1 4.06Å; Q40-F95 HydrophobicContact CB-CD2 4.02Å; Q40-F95 HydrophobicContact CB-CE1 3.83Å; Q40-F95 HydrophobicContact CB-CE2 3.77Å; Q40-F95 HydrophobicContact CB-CG 4.14Å; Q40-F95 HydrophobicContact CB-CZ 3.67Å; Q40-F95 HydrophobicContact CG-CB 4.32Å; Q40-F95 HydrophobicContact CG-CD1 3.97Å; Q40-F95 HydrophobicContact CG-CD2 4.1Å; Q40-F95 HydrophobicContact CG-CE1 4.26Å; Q40-F95 HydrophobicContact CG-CE2 4.37Å; Q40-F95 HydrophobicContact CG-CG 3.88Å; Q40-F95 HydrophobicContact CG-CZ 4.44Å; F95-P97 HydrophobicContact CE1-CB 4.36Å; F95-P97 WeakPolarHBondContact O-CD 3.4Å; F95-K100 VanDerWaalsContact CE2-C 3.47Å; F95-K100 HydrophobicContact CE2-CB 4.45Å; F95-K100 HydrophobicContact CZ-CB 4.19Å; F95-Q101 WeakPolarHBondContact CA-O 3.31Å; F95-H102 AromaticContact CD2-CE1 3.54Å; F95-H102 AromaticContact CD2-ND1 3.66Å; F95-H102 AromaticContact CD2-NE2 3.88Å; F95-H102 AromaticContact CE2-CE1 3.87Å; F95-H102 AromaticContact CE2-NE2 3.84Å
96D94.4Very high93.8Very high28 Ų2867.3 Ų67.315%0.1534%0.342CS..EExtended strand (participates in β ladder)trans-94.7110.1174.3-176.5-28.2000109.1L98 T99 K100 Q101 F103 K108D96-L98 PolarHBondContact O-N 3.43Å; D96-L98 WeakPolarHBondContact OD1-CA 3.08Å; D96-L98 WeakPolarHBondContact OD1-CB 3.19Å; D96-L98 PolarHBondContact OD1-N 3.09Å; D96-T99 PolarHBondContact OD1-N 2.92Å; D96-T99 VanDerWaalsContact OD1-N 3.15Å; D96-K100 WeakPolarHBondContact O-CA 3.38Å; D96-K100 PolarHBondContact O-N 3.41Å; D96-Q101 PolarHBondContact N-O 3.46Å; D96-Q101 PolarHBondContact O-N 2.95Å; D96-F103 HydrophobicContact CB-CE1 4.18Å; D96-K108 IonicContact OD2-NZ 3.41Å; D96-K108 PolarHBondContact OD2-NZ 2.88Å
97P91.7Very high93.7Very high100 Ų10064.1 Ų64.165%0.64933%0.331SS*.THydrogen-bonded Turntrans-72.8-14-177.430.8-36.1000113.8F95F95-P97 HydrophobicContact CE1-CB 4.36Å; F95-P97 WeakPolarHBondContact O-CD 3.4Å
98L93.9Very high93.6Very high164 Ų16463.5 Ų63.586%0.85932%0.322SS*.THydrogen-bonded Turntrans-84.4-44.1177.6-61.7175000111.2D96D96-L98 PolarHBondContact O-N 3.43Å; D96-L98 WeakPolarHBondContact OD1-CA 3.08Å; D96-L98 WeakPolarHBondContact OD1-CB 3.19Å; D96-L98 PolarHBondContact OD1-N 3.09Å
99T93.3Very high93.6Very high69 Ų6963.2 Ų63.242%0.42332%0.318SS..THydrogen-bonded Turntrans-89.9-13.1176.369.60000113.7D96 Q101D96-T99 PolarHBondContact OD1-N 2.92Å; D96-T99 VanDerWaalsContact OD1-N 3.15Å; T99-Q101 VanDerWaalsContact C-N 3.29Å; T99-Q101 WeakPolarHBondContact OG1-CB 3.2Å; T99-Q101 WeakPolarHBondContact OG1-CG 3.28Å; T99-Q101 PolarHBondContact OG1-OE1 3.43Å
100K93.4Very high93.5Very high158 Ų15865.5 Ų65.569%0.68733%0.332SS*.THydrogen-bonded Turntrans59.432.9-170.3-57.2-175.8178.1-177.20114F95 D96F95-K100 VanDerWaalsContact CE2-C 3.47Å; F95-K100 HydrophobicContact CE2-CB 4.45Å; F95-K100 HydrophobicContact CZ-CB 4.19Å; D96-K100 WeakPolarHBondContact O-CA 3.38Å; D96-K100 PolarHBondContact O-N 3.41Å
101Q94.9Very high93.4Very high43 Ų4365.6 Ų65.620%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-109.5144.1-176.3-67.1175-41.900112.7F95 D96 T99 K108 F109 D110F95-Q101 WeakPolarHBondContact CA-O 3.31Å; D96-Q101 PolarHBondContact N-O 3.46Å; D96-Q101 PolarHBondContact O-N 2.95Å; T99-Q101 VanDerWaalsContact C-N 3.29Å; T99-Q101 WeakPolarHBondContact OG1-CB 3.2Å; T99-Q101 WeakPolarHBondContact OG1-CG 3.28Å; T99-Q101 PolarHBondContact OG1-OE1 3.43Å; Q101-K108 HydrophobicContact CB-CB 3.99Å; Q101-K108 HydrophobicContact CB-CD 4.4Å; Q101-F109 CarbonylContact C-O 3.54Å; Q101-F109 VanDerWaalsContact CA-O 3.3Å; Q101-F109 WeakPolarHBondContact CA-O 3.46Å; Q101-F109 WeakPolarHBondContact CB-O 3.41Å; Q101-D110 WeakPolarHBondContact CG-OD1 3.5Å; Q101-D110 PolarHBondContact NE2-OD1 2.95Å
102H95.6Very high93.4Very high12 Ų1263.2 Ų63.26%0.05633%0.325CS..EExtended strand (participates in β ladder)trans-89.3144.8173.4-57.4-89.2000109.9Q40 Y41 L93 Y94 F95 K108 F109 V112 L115Q40-H102 PolarHBondContact O-CE1 2.92Å; Q40-H102 VanDerWaalsContact O-CE1 3.27Å; Y41-H102 AromaticContact CE1-CE1 3.73Å; Y41-H102 AromaticContact CE1-ND1 3.74Å; L93-H102 HydrophobicContact CD1-CB 4.42Å; Y94-H102 WeakPolarHBondContact O-CA 3.48Å; F95-H102 AromaticContact CD2-CE1 3.54Å; F95-H102 AromaticContact CD2-ND1 3.66Å; F95-H102 AromaticContact CD2-NE2 3.88Å; F95-H102 AromaticContact CE2-CE1 3.87Å; F95-H102 AromaticContact CE2-NE2 3.84Å; H102-K108 WeakPolarHBondContact O-CA 3.34Å; H102-F109 PolarHBondContact N-O 3.43Å; H102-F109 PolarHBondContact O-N 3.4Å; H102-V112 HydrophobicContact CB-CG2 4.39Å; H102-L115 HydrophobicContact CB-CD1 3.97Å
103F95.3Very high93.4Very high47 Ų4763.3 Ų63.321%0.20633%0.328CS..EExtended strand (participates in β ladder)trans-150.7151.2176.563.4-82.2000114.3Y94 D96 G105 T107 K108Y94-F103 VanDerWaalsContact CB-CE2 3.47Å; Y94-F103 HydrophobicContact CD2-CD2 4.21Å; Y94-F103 AromaticContact CD2-CE2 3.99Å; Y94-F103 HydrophobicContact CD2-CE2 3.99Å; Y94-F103 HydrophobicContact CG-CD2 4.3Å; Y94-F103 AromaticContact CG-CE2 3.8Å; Y94-F103 HydrophobicContact CG-CE2 3.8Å; Y94-F103 AromaticContact CG-CZ 3.99Å; Y94-F103 HydrophobicContact CG-CZ 3.99Å; Y94-F103 PolarHBondContact N-O 2.87Å; Y94-F103 PolarHBondContact O-N 2.92Å; D96-F103 HydrophobicContact CB-CE1 4.18Å; F103-G105 WeakPolarHBondContact CD2-O 3.28Å; F103-T107 WeakPolarHBondContact CA-O 3.25Å; F103-T107 WeakPolarHBondContact CB-O 3.24Å; F103-K108 HydrophobicContact CB-CG 4.04Å; F103-K108 HydrophobicContact CD1-CG 4.39Å; F103-K108 HydrophobicContact CG-CG 4.37Å
104V92.4Very high93.4Very high23 Ų2364.9 Ų64.914%0.13934%0.336CS..EExtended strand (participates in β ladder)trans-126.8110.2166.9171.40000105.9F91 L93 L115 F402F91-V104 HydrophobicContact CB-CG1 4Å; F91-V104 HydrophobicContact CB-CG2 4.05Å; F91-V104 HydrophobicContact CD1-CG1 4Å; F91-V104 HydrophobicContact CG-CG1 4.25Å; L93-V104 HydrophobicContact CD1-CG2 4.12Å; V104-L115 HydrophobicContact CB-CD2 4.45Å; V104-L115 HydrophobicContact CG2-CD1 4.26Å; V104-L115 HydrophobicContact CG2-CD2 3.96Å; V104-F402 VanDerWaalsContact O-CZ 3.25Å; V104-F402 WeakPolarHBondContact O-CZ 3.37Å
105G89Confident93.4Very high35 Ų3560.8 Ų60.836%0.36132%0.32SS..THydrogen-bonded Turntrans75.9-120-17400000113.4F103F103-G105 WeakPolarHBondContact CD2-O 3.28Å
106E86.5Confident93.5Very high84 Ų8457.9 Ų57.939%0.39331%0.307SS..THydrogen-bonded Turntrans-92.4-31.6-172.9-75.4164.1-12700114.6F402 S403 K507E106-F402 HydrophobicContact CB-CD1 4.24Å; E106-F402 HydrophobicContact CB-CE1 4.41Å; E106-F402 HydrophobicContact CG-CD1 4.11Å; E106-S403 WeakPolarHBondContact OE1-CB 3.19Å; E106-S403 PolarHBondContact OE1-N 3.33Å; E106-S403 PolarHBondContact OE1-OG 2.78Å; E106-S403 PolarHBondContact OE2-OG 3.38Å; E106-K507 IonicContact OE2-NZ 2.75Å; E106-K507 PolarHBondContact OE2-NZ 2.91Å
107T89.1Confident93.6Very high41 Ų4156.9 Ų56.925%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-89.8126.2-168.539.60000112.1F103 A493F103-T107 WeakPolarHBondContact CA-O 3.25Å; F103-T107 WeakPolarHBondContact CB-O 3.24Å; T107-A493 HydrophobicContact CG2-CB 4.06Å
108K92.7Very high93.8Very high78 Ų7853.2 Ų53.234%0.33928%0.278SS..EExtended strand (participates in β ladder)trans-101.6140179.4-64-170.3179.3-179.40111.4D96 Q101 H102 F103D96-K108 IonicContact OD2-NZ 3.41Å; D96-K108 PolarHBondContact OD2-NZ 2.88Å; Q101-K108 HydrophobicContact CB-CB 3.99Å; Q101-K108 HydrophobicContact CB-CD 4.4Å; H102-K108 WeakPolarHBondContact O-CA 3.34Å; F103-K108 HydrophobicContact CB-CG 4.04Å; F103-K108 HydrophobicContact CD1-CG 4.39Å; F103-K108 HydrophobicContact CG-CG 4.37Å
109F94.9Very high93.8Very high7 Ų746 Ų463%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-134.9146.4-178.5-58.4-94.1000110.8Q101 H102 T111 L114 L115 D118 V492Q101-F109 CarbonylContact C-O 3.54Å; Q101-F109 VanDerWaalsContact CA-O 3.3Å; Q101-F109 WeakPolarHBondContact CA-O 3.46Å; Q101-F109 WeakPolarHBondContact CB-O 3.41Å; H102-F109 PolarHBondContact N-O 3.43Å; H102-F109 PolarHBondContact O-N 3.4Å; F109-T111 VanDerWaalsContact C-N 3.3Å; F109-T111 PolarHBondContact O-N 3.22Å; F109-L114 HydrophobicContact CB-CB 4.31Å; F109-L114 HydrophobicContact CD1-CB 4.14Å; F109-L115 HydrophobicContact CB-CB 3.99Å; F109-L115 HydrophobicContact CD2-CB 3.64Å; F109-L115 HydrophobicContact CD2-CD1 3.98Å; F109-L115 HydrophobicContact CD2-CG 3.61Å; F109-L115 HydrophobicContact CE2-CB 4.25Å; F109-L115 HydrophobicContact CE2-CG 3.97Å; F109-L115 HydrophobicContact CG-CB 3.83Å; F109-L115 HydrophobicContact CG-CG 4.33Å; F109-D118 HydrophobicContact CE1-CB 3.55Å; F109-D118 HydrophobicContact CZ-CB 3.59Å; F109-D118 WeakPolarHBondContact CZ-OD2 3.3Å; F109-V492 HydrophobicContact CD1-CB 4.39Å; F109-V492 HydrophobicContact CD1-CG2 3.83Å; F109-V492 HydrophobicContact CE1-CB 3.81Å; F109-V492 HydrophobicContact CE1-CG2 3.64Å; F109-V492 HydrophobicContact CZ-CB 4.39Å
110D93.2Very high94Very high103 Ų10342.8 Ų42.855%0.55122%0.224SC*.SBendtrans-75.9-18.1-176.5-51.3-44.1000113.1Q101Q101-D110 WeakPolarHBondContact CG-OD1 3.5Å; Q101-D110 PolarHBondContact NE2-OD1 2.95Å
111T94.6Very high94.1Very high57 Ų5736 Ų3635%0.3520%0.195SC..SBendtrans-138.4157.1173.171.70000111.2F109 E113 L114 L115F109-T111 VanDerWaalsContact C-N 3.3Å; F109-T111 PolarHBondContact O-N 3.22Å; T111-E113 VanDerWaalsContact C-N 3.29Å; T111-E113 PolarHBondContact O-N 3.02Å; T111-L114 PolarHBondContact O-N 3.39Å; T111-L114 WeakPolarHBondContact OG1-CG 3.45Å; T111-L114 PolarHBondContact OG1-N 3.49Å; T111-L115 PolarHBondContact O-N 3.31Å
112V95.1Very high94.1Very high6 Ų637.6 Ų37.64%0.03620%0.202CC..Hα-helixtrans-63.5-36.5172.1-177.50000111.2Y41 Y66 I68 L80 H102 L114 L115 V116Y41-V112 HydrophobicContact CD1-CG2 4.35Å; Y41-V112 HydrophobicContact CE1-CG2 4.42Å; Y66-V112 HydrophobicContact CD2-CG1 4.42Å; Y66-V112 HydrophobicContact CE2-CG1 3.91Å; I68-V112 HydrophobicContact CD1-CG1 4.17Å; I68-V112 HydrophobicContact CD1-CG2 4.08Å; L80-V112 HydrophobicContact CD1-CG1 4.06Å; H102-V112 HydrophobicContact CB-CG2 4.39Å; V112-L114 PolarHBondContact O-N 3.17Å; V112-L115 WeakPolarHBondContact O-CB 3.48Å; V112-L115 PolarHBondContact O-N 3.39Å; V112-V116 HydrophobicContact CG1-CG2 4.15Å; V112-V116 VanDerWaalsContact O-CG2 3.32Å; V112-V116 WeakPolarHBondContact O-CG2 3.45Å; V112-V116 PolarHBondContact O-N 2.87Å
113E95.7Very high94Very high112 Ų11238.2 Ų38.252%0.52321%0.205SC..Hα-helixtrans-59.4-43.6178.6-173.7-177-177.700112.2P25 T111 V116 A117P25-E113 HydrophobicContact CB-CG 4.23Å; P25-E113 HydrophobicContact CG-CG 3.76Å; T111-E113 VanDerWaalsContact C-N 3.29Å; T111-E113 PolarHBondContact O-N 3.02Å; E113-V116 PolarHBondContact O-N 3.41Å; E113-A117 WeakPolarHBondContact O-CB 3.13Å; E113-A117 PolarHBondContact O-N 3.46Å
114L94.9Very high94Very high37 Ų3737.8 Ų37.819%0.19420%0.202CC..Hα-helixtrans-66.6-37.1176-72.2171.9000112.5F109 T111 V112 A117 D118 L491 I743F109-L114 HydrophobicContact CB-CB 4.31Å; F109-L114 HydrophobicContact CD1-CB 4.14Å; T111-L114 PolarHBondContact O-N 3.39Å; T111-L114 WeakPolarHBondContact OG1-CG 3.45Å; T111-L114 PolarHBondContact OG1-N 3.49Å; V112-L114 PolarHBondContact O-N 3.17Å; L114-A117 PolarHBondContact O-N 2.87Å; L114-D118 PolarHBondContact O-N 2.93Å; L114-L491 HydrophobicContact CD2-CD1 4.45Å; L114-I743 HydrophobicContact CD1-CD1 3.97Å; L114-I743 HydrophobicContact CD2-CB 4.46Å; L114-I743 HydrophobicContact CD2-CD1 3.8Å; L114-I743 HydrophobicContact CD2-CG2 4.47Å
115L96Very high94.1Very high11 Ų1136.7 Ų36.76%0.05820%0.195CC..Hα-helixtrans-64.1-44.8174.8-171.1163.4000111L80 L93 H102 V104 F109 T111 V112 G119L80-L115 HydrophobicContact CD2-CD2 3.57Å; L93-L115 HydrophobicContact CD1-CD1 3.96Å; H102-L115 HydrophobicContact CB-CD1 3.97Å; V104-L115 HydrophobicContact CB-CD2 4.45Å; V104-L115 HydrophobicContact CG2-CD1 4.26Å; V104-L115 HydrophobicContact CG2-CD2 3.96Å; F109-L115 HydrophobicContact CB-CB 3.99Å; F109-L115 HydrophobicContact CD2-CB 3.64Å; F109-L115 HydrophobicContact CD2-CD1 3.98Å; F109-L115 HydrophobicContact CD2-CG 3.61Å; F109-L115 HydrophobicContact CE2-CB 4.25Å; F109-L115 HydrophobicContact CE2-CG 3.97Å; F109-L115 HydrophobicContact CG-CB 3.83Å; F109-L115 HydrophobicContact CG-CG 4.33Å; T111-L115 PolarHBondContact O-N 3.31Å; V112-L115 WeakPolarHBondContact O-CB 3.48Å; V112-L115 PolarHBondContact O-N 3.39Å; L115-G119 PolarHBondContact O-N 2.98Å
116V96.9Very high94.3Very high0 Ų038.3 Ų38.30%019%0.194CC..Hα-helixtrans-65.3-43.2176.7175.60000110.6P25 Y66 L80 I82 V112 E113 D118 G119 L120P25-V116 HydrophobicContact CB-CB 4.21Å; P25-V116 HydrophobicContact CB-CG1 3.83Å; Y66-V116 HydrophobicContact CD1-CB 4.28Å; Y66-V116 HydrophobicContact CD1-CG1 3.74Å; Y66-V116 HydrophobicContact CD1-CG2 4.14Å; Y66-V116 HydrophobicContact CD2-CG2 3.77Å; Y66-V116 HydrophobicContact CE1-CG1 4.36Å; Y66-V116 HydrophobicContact CE1-CG2 4.46Å; Y66-V116 HydrophobicContact CE2-CG2 4.12Å; Y66-V116 HydrophobicContact CG-CB 4.38Å; Y66-V116 HydrophobicContact CG-CG1 3.96Å; Y66-V116 HydrophobicContact CG-CG2 3.77Å; L80-V116 HydrophobicContact CD1-CG2 3.95Å; L80-V116 HydrophobicContact CD2-CG2 3.98Å; L80-V116 HydrophobicContact CG-CG2 4.49Å; I82-V116 HydrophobicContact CD1-CB 4.46Å; I82-V116 HydrophobicContact CD1-CG1 4.16Å; I82-V116 HydrophobicContact CD1-CG2 4.18Å; I82-V116 HydrophobicContact CG1-CG1 4.28Å; I82-V116 HydrophobicContact CG1-CG2 4.33Å; I82-V116 HydrophobicContact CG2-CG1 4.41Å; V112-V116 HydrophobicContact CG1-CG2 4.15Å; V112-V116 VanDerWaalsContact O-CG2 3.32Å; V112-V116 WeakPolarHBondContact O-CG2 3.45Å; V112-V116 PolarHBondContact O-N 2.87Å; E113-V116 PolarHBondContact O-N 3.41Å; V116-D118 PolarHBondContact O-N 2.82Å; V116-G119 PolarHBondContact O-N 2.98Å; V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.11Å; V116-L120 WeakPolarHBondContact O-CB 3.36Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 3.02Å
117A96.7Very high94.5Very high7 Ų738.1 Ų38.16%0.05820%0.198CC..Hα-helixtrans-59.9-45.2177.100000112.6P25 E113 L114 L120 I121 L491P25-A117 HydrophobicContact CG-CB 4.06Å; E113-A117 WeakPolarHBondContact O-CB 3.13Å; E113-A117 PolarHBondContact O-N 3.46Å; L114-A117 PolarHBondContact O-N 2.87Å; A117-L120 PolarHBondContact O-N 3.47Å; A117-I121 WeakPolarHBondContact O-CD1 2.86Å; A117-I121 VanDerWaalsContact O-CG1 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 2.97Å; A117-L491 HydrophobicContact CB-CD1 3.69Å
118D95Very high94.8Very high24 Ų2440.7 Ų40.713%0.12820%0.203CC..Hα-helixtrans-63.5-42.8175.5-166.679.5000111.7F109 L114 V116 I121 H122 L491F109-D118 HydrophobicContact CE1-CB 3.55Å; F109-D118 HydrophobicContact CZ-CB 3.59Å; F109-D118 WeakPolarHBondContact CZ-OD2 3.3Å; L114-D118 PolarHBondContact O-N 2.93Å; V116-D118 PolarHBondContact O-N 2.82Å; D118-I121 PolarHBondContact O-N 2.89Å; D118-H122 WeakPolarHBondContact O-CB 3.37Å; D118-H122 PolarHBondContact O-N 2.97Å; D118-L491 HydrophobicContact CB-CB 4.38Å; D118-L491 HydrophobicContact CB-CD1 4.24Å; D118-L491 HydrophobicContact CB-CG 4.28Å; D118-L491 PolarHBondContact OD1-N 3.34Å
119G95.5Very high94.6Very high13 Ų1337 Ų3713%0.13419%0.187CC..Hα-helixtrans-61.4-42.5174.800000113.7L115 V116 H122 F123L115-G119 PolarHBondContact O-N 2.98Å; V116-G119 PolarHBondContact O-N 2.98Å; G119-H122 WeakPolarHBondContact O-CB 3.42Å; G119-H122 PolarHBondContact O-N 2.83Å; G119-F123 WeakPolarHBondContact O-CD1 3.5Å; G119-F123 WeakPolarHBondContact O-CD2 3.41Å; G119-F123 WeakPolarHBondContact O-CE2 3.45Å; G119-F123 WeakPolarHBondContact O-CG 3.49Å; G119-F123 PolarHBondContact O-N 3.38Å
120L96.8Very high94.4Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-65.5-43.4176.5-71.7170.7000111.8P23 P25 I82 F84 V116 A117 H122 F123 Y124P23-L120 HydrophobicContact CG-CB 4.38Å; P23-L120 HydrophobicContact CG-CD2 4.16Å; P23-L120 WeakPolarHBondContact O-CD1 3.41Å; P25-L120 HydrophobicContact CB-CD1 4.35Å; I82-L120 HydrophobicContact CG2-CD2 3.52Å; I82-L120 HydrophobicContact CG2-CG 4.19Å; F84-L120 HydrophobicContact CB-CD2 4.44Å; F84-L120 HydrophobicContact CD2-CD2 3.73Å; V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.11Å; V116-L120 WeakPolarHBondContact O-CB 3.36Å; V116-L120 VanDerWaalsContact O-CG 3.24Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 3.02Å; A117-L120 PolarHBondContact O-N 3.47Å; L120-H122 VanDerWaalsContact C-N 3.33Å; L120-H122 PolarHBondContact O-N 2.88Å; L120-F123 HydrophobicContact CD2-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.41Å; L120-Y124 VanDerWaalsContact O-CB 3.31Å; L120-Y124 WeakPolarHBondContact O-CB 3.44Å; L120-Y124 PolarHBondContact O-N 2.66Å
121I95.6Very high94.2Very high17 Ų1738.5 Ų38.59%0.08720%0.203CC..Hα-helixtrans-58.9-45.9172.3-71.3164.6000110.3Q19 A22 A117 D118 Y124 V125 L491Q19-I121 HydrophobicContact CB-CG2 4.17Å; Q19-I121 HydrophobicContact CG-CD1 4.07Å; Q19-I121 HydrophobicContact CG-CG1 4.16Å; Q19-I121 HydrophobicContact CG-CG2 3.74Å; A22-I121 HydrophobicContact CB-CG1 4.04Å; A117-I121 WeakPolarHBondContact O-CD1 2.86Å; A117-I121 VanDerWaalsContact O-CG1 3.28Å; A117-I121 WeakPolarHBondContact O-CG1 3.37Å; A117-I121 PolarHBondContact O-N 2.97Å; D118-I121 PolarHBondContact O-N 2.89Å; I121-Y124 PolarHBondContact O-N 3.41Å; I121-V125 HydrophobicContact CG2-CG2 4.38Å; I121-V125 WeakPolarHBondContact O-CB 3.18Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.34Å; I121-L491 HydrophobicContact CD1-CD1 4.39Å; I121-L491 HydrophobicContact CD1-CD2 3.75Å; I121-L491 HydrophobicContact CD1-CG 3.94Å
122H94.2Very high93.8Very high75 Ų7536.6 Ų36.635%0.34719%0.192SC..Hα-helixtrans-60.6-50.1178.1176.972.6000111.7D118 G119 L120 Y124 V125 E126D118-H122 WeakPolarHBondContact O-CB 3.37Å; D118-H122 PolarHBondContact O-N 2.97Å; G119-H122 WeakPolarHBondContact O-CB 3.42Å; G119-H122 PolarHBondContact O-N 2.83Å; L120-H122 VanDerWaalsContact C-N 3.33Å; L120-H122 PolarHBondContact O-N 2.88Å; H122-Y124 PolarHBondContact O-N 3.17Å; H122-V125 PolarHBondContact O-N 2.85Å; H122-E126 VanDerWaalsContact CE1-CD 3.48Å; H122-E126 IonicContact CE1-OE1 3.61Å; H122-E126 IonicContact CE1-OE2 3.07Å; H122-E126 IonicContact NE2-OE2 2.8Å; H122-E126 WeakPolarHBondContact O-CB 3.44Å; H122-E126 WeakPolarHBondContact O-CG 3.15Å; H122-E126 PolarHBondContact O-N 3.13Å
123F94.7Very high93.4Very high26 Ų2637.2 Ų37.211%0.11419%0.194CC..Hα-helixtrans-60.8-43.3177-54.7-28.9000112.3I82 F84 K89 F91 G119 L120 T127I82-F123 HydrophobicContact CD1-CE2 4.15Å; I82-F123 HydrophobicContact CD1-CZ 4.49Å; I82-F123 HydrophobicContact CG2-CE2 4.27Å; F84-F123 HydrophobicContact CB-CD2 4.3Å; F84-F123 HydrophobicContact CD1-CB 3.98Å; F84-F123 HydrophobicContact CD1-CD2 4.43Å; F84-F123 HydrophobicContact CD2-CB 4.04Å; F84-F123 HydrophobicContact CD2-CD2 4.11Å; F84-F123 HydrophobicContact CE1-CB 3.64Å; F84-F123 HydrophobicContact CE2-CB 3.73Å; F84-F123 HydrophobicContact CG-CB 4.16Å; F84-F123 HydrophobicContact CG-CD2 4.01Å; F84-F123 HydrophobicContact CZ-CB 3.52Å; K89-F123 HydrophobicContact CD-CD1 4.37Å; K89-F123 HydrophobicContact CD-CD2 3.82Å; K89-F123 HydrophobicContact CD-CE1 4.34Å; K89-F123 HydrophobicContact CD-CE2 3.78Å; K89-F123 HydrophobicContact CD-CG 4.16Å; K89-F123 HydrophobicContact CD-CZ 4.08Å; K89-F123 VanDerWaalsContact NZ-CG 3.32Å; F91-F123 HydrophobicContact CE1-CZ 4.32Å; F91-F123 HydrophobicContact CE2-CE1 4.45Å; F91-F123 HydrophobicContact CE2-CE2 4.15Å; F91-F123 AromaticContact CE2-CZ 3.53Å; F91-F123 HydrophobicContact CE2-CZ 3.53Å; F91-F123 AromaticContact CZ-CE1 3.79Å; F91-F123 HydrophobicContact CZ-CE1 3.79Å; F91-F123 HydrophobicContact CZ-CE2 4.25Å; F91-F123 AromaticContact CZ-CZ 3.3Å; F91-F123 HydrophobicContact CZ-CZ 3.3Å; G119-F123 WeakPolarHBondContact O-CD1 3.5Å; G119-F123 WeakPolarHBondContact O-CD2 3.41Å; G119-F123 WeakPolarHBondContact O-CE2 3.45Å; G119-F123 WeakPolarHBondContact O-CG 3.49Å; G119-F123 PolarHBondContact O-N 3.38Å; L120-F123 HydrophobicContact CD2-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.41Å; F123-T127 VanDerWaalsContact O-CB 3.31Å; F123-T127 WeakPolarHBondContact O-CB 3.19Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 2.86Å; F123-T127 VanDerWaalsContact O-OG1 3.09Å
124Y95.7Very high92.9Very high38 Ų3838.7 Ų38.715%0.14920%0.199CC..Hα-helixtrans-65.5-45.6-178.4-159.7-86.4000111.7L18 E21 A22 F84 L120 I121 H122 R128L18-Y124 HydrophobicContact CB-CD1 4.45Å; L18-Y124 HydrophobicContact CD2-CD1 4.17Å; L18-Y124 HydrophobicContact CD2-CE1 3.87Å; L18-Y124 WeakPolarHBondContact O-CD1 3.4Å; E21-Y124 HydrophobicContact CB-CE1 3.54Å; E21-Y124 WeakPolarHBondContact O-CE2 3.38Å; E21-Y124 PolarHBondContact O-OH 3.48Å; A22-Y124 HydrophobicContact CB-CD1 4.14Å; A22-Y124 HydrophobicContact CB-CD2 4.34Å; A22-Y124 HydrophobicContact CB-CG 3.82Å; F84-Y124 HydrophobicContact CE2-CD2 4.16Å; F84-Y124 HydrophobicContact CZ-CD2 4.28Å; L120-Y124 VanDerWaalsContact O-CB 3.31Å; L120-Y124 WeakPolarHBondContact O-CB 3.44Å; L120-Y124 PolarHBondContact O-N 2.66Å; I121-Y124 PolarHBondContact O-N 3.41Å; H122-Y124 PolarHBondContact O-N 3.17Å; Y124-R128 VanDerWaalsContact CE2-CD 3.44Å; Y124-R128 VanDerWaalsContact CE2-NE 3.28Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.36Å
125V93.5Very high92.3Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-68.3-39.2178.5174.70000111.8L15 L18 I121 H122 G129 L133 W489L15-V125 HydrophobicContact CD2-CG1 4.14Å; L18-V125 HydrophobicContact CB-CG2 4.01Å; I121-V125 HydrophobicContact CG2-CG2 4.38Å; I121-V125 WeakPolarHBondContact O-CB 3.18Å; I121-V125 VanDerWaalsContact O-CG2 3.28Å; I121-V125 WeakPolarHBondContact O-CG2 3.3Å; I121-V125 PolarHBondContact O-N 3.34Å; H122-V125 PolarHBondContact O-N 2.85Å; V125-G129 WeakPolarHBondContact O-CA 3.39Å; V125-G129 PolarHBondContact O-N 3.23Å; V125-L133 HydrophobicContact CG1-CD1 4.47Å; V125-W489 HydrophobicContact CB-CG 4.32Å; V125-W489 HydrophobicContact CG1-CD2 3.82Å; V125-W489 HydrophobicContact CG1-CE3 4.47Å; V125-W489 HydrophobicContact CG1-CG 3.89Å; V125-W489 HydrophobicContact CG1-CZ2 4.35Å; V125-W489 HydrophobicContact CG2-CB 4.49Å; V125-W489 HydrophobicContact CG2-CG 4.22Å
126E92.3Very high91.6Very high69 Ų6942.1 Ų42.132%0.32221%0.212SC..Hα-helixtrans-69.7-45.3176.2-69.8-148.1145.200112.6H122 A130 L133 R508H122-E126 VanDerWaalsContact CE1-CD 3.48Å; H122-E126 IonicContact CE1-OE1 3.61Å; H122-E126 IonicContact CE1-OE2 3.07Å; H122-E126 IonicContact NE2-OE2 2.8Å; H122-E126 WeakPolarHBondContact O-CB 3.44Å; H122-E126 WeakPolarHBondContact O-CG 3.15Å; H122-E126 PolarHBondContact O-N 3.13Å; E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.33Å; E126-L133 HydrophobicContact CB-CD1 4.38Å; E126-L133 HydrophobicContact CG-CD1 4.05Å; E126-R508 IonicContact OE1-NH2 3.61Å; E126-R508 PolarHBondContact OE1-NH2 3.36Å
127T92.7Very high90.1Very high80 Ų8045.3 Ų45.349%0.49124%0.239SC..Hα-helixtrans-70.7-42.3-178.8-60.20000112.8F123F123-T127 VanDerWaalsContact O-CB 3.31Å; F123-T127 WeakPolarHBondContact O-CB 3.19Å; F123-T127 PolarHBondContact O-N 3.43Å; F123-T127 PolarHBondContact O-OG1 2.86Å; F123-T127 VanDerWaalsContact O-OG1 3.09Å
128R93.7Very high88.8Confident95 Ų9550.8 Ų50.836%0.35826%0.263SS..Hα-helixtrans-101.6-4.2-173.6-64.4159.6169.772.9-7.1114.2L18 D85 Y124L18-R128 HydrophobicContact CD2-CB 3.69Å; D85-R128 IonicContact OD1-CZ 2.68Å; D85-R128 IonicContact OD1-NH1 3.75Å; D85-R128 PolarHBondContact OD1-NH1 2.81Å; D85-R128 VanDerWaalsContact OD1-NH1 3.09Å; D85-R128 IonicContact OD1-NH2 3.54Å; D85-R128 PolarHBondContact OD1-NH2 3.08Å; D85-R128 IonicContact OD2-CZ 3.44Å; D85-R128 IonicContact OD2-NH1 2.68Å; D85-R128 PolarHBondContact OD2-NH1 3.32Å; D85-R128 IonicContact OD2-NH2 3.35Å; Y124-R128 VanDerWaalsContact CE2-CD 3.44Å; Y124-R128 VanDerWaalsContact CE2-NE 3.28Å; Y124-R128 WeakPolarHBondContact O-CB 3.25Å; Y124-R128 PolarHBondContact O-N 3.36Å
129G90Very high87.3Confident0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-116.78.3175.900000114.6V125 D131 V132 L133V125-G129 WeakPolarHBondContact O-CA 3.39Å; V125-G129 PolarHBondContact O-N 3.23Å; G129-D131 PolarHBondContact O-N 3.31Å; G129-D131 VanDerWaalsContact O-N 3.11Å; G129-V132 WeakPolarHBondContact O-CB 3.14Å; G129-V132 PolarHBondContact O-N 2.93Å; G129-L133 WeakPolarHBondContact O-CG 3.27Å; G129-L133 PolarHBondContact O-N 3.38Å
130A90.2Very high85.9Confident56 Ų5656 Ų5646%0.46329%0.291SS..Hα-helixtrans-50.2-38.6-173.400000114.5E126 L133 K134E126-A130 WeakPolarHBondContact O-CB 3.44Å; E126-A130 PolarHBondContact O-N 3.33Å; A130-L133 PolarHBondContact O-N 2.98Å; A130-K134 WeakPolarHBondContact O-CB 3.37Å; A130-K134 PolarHBondContact O-N 3.06Å
131D88.4Confident85Confident86 Ų8658 Ų5846%0.4630%0.302SS..Hα-helixtrans-68.6-39.1179.383.2-64.9000112.1G129 K135G129-D131 PolarHBondContact O-N 3.31Å; G129-D131 VanDerWaalsContact O-N 3.11Å; D131-K135 VanDerWaalsContact O-CD 3.22Å; D131-K135 WeakPolarHBondContact O-CD 3.12Å; D131-K135 WeakPolarHBondContact O-CG 3.38Å; D131-K135 PolarHBondContact O-N 2.98Å; D131-K135 IonicContact OD2-NZ 2.66Å; D131-K135 PolarHBondContact OD2-NZ 3.48Å
132V86.2Confident84.2Confident17 Ų1757.5 Ų57.510%0.10330%0.299CS..Hα-helixtrans-68.4-44.2174.6-178.40000110.1K14 L15 G129 K134 K135 I136 H486K14-V132 HydrophobicContact CG-CG2 4.25Å; L15-V132 HydrophobicContact CD2-CB 4.08Å; L15-V132 HydrophobicContact CD2-CG1 3.81Å; L15-V132 HydrophobicContact CG-CG1 4.12Å; G129-V132 WeakPolarHBondContact O-CB 3.14Å; G129-V132 PolarHBondContact O-N 2.93Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.12Å; V132-K135 PolarHBondContact O-N 2.89Å; V132-I136 HydrophobicContact CG1-CD1 4.17Å; V132-I136 WeakPolarHBondContact O-CG1 3.42Å; V132-I136 PolarHBondContact O-N 2.75Å; V132-H486 VanDerWaalsContact CG1-CD2 3.45Å; V132-H486 WeakPolarHBondContact CG1-CD2 3.17Å; V132-H486 WeakPolarHBondContact CG1-NE2 3.47Å
133L87.9Confident83.3Confident18 Ų1859.4 Ų59.49%0.09431%0.308CS..Hα-helixtrans-63.6-35.2179.3-66.4179.9000112.6L15 V125 E126 G129 A130 I136 W489L15-L133 HydrophobicContact CD1-CD2 4Å; L15-L133 HydrophobicContact CD2-CD2 4.33Å; V125-L133 HydrophobicContact CG1-CD1 4.47Å; E126-L133 HydrophobicContact CB-CD1 4.38Å; E126-L133 HydrophobicContact CG-CD1 4.05Å; G129-L133 WeakPolarHBondContact O-CG 3.27Å; G129-L133 PolarHBondContact O-N 3.38Å; A130-L133 PolarHBondContact O-N 2.98Å; L133-I136 HydrophobicContact CD2-CD1 4.22Å; L133-W489 HydrophobicContact CD2-CH2 3.36Å; L133-W489 HydrophobicContact CD2-CZ2 3.95Å; L133-W489 HydrophobicContact CD2-CZ3 3.7Å
134K85.3Confident82.3Confident143 Ų14366.2 Ų66.262%0.62234%0.338SS*.Hα-helixtrans-64.2-52.5170.4-174.7-179.9175.8-174.70111.1A130 V132 I136 A137 E138A130-K134 WeakPolarHBondContact O-CB 3.37Å; A130-K134 PolarHBondContact O-N 3.06Å; V132-K134 VanDerWaalsContact C-N 3.32Å; V132-K134 PolarHBondContact O-N 3.12Å; K134-I136 PolarHBondContact O-N 2.85Å; K134-I136 VanDerWaalsContact O-N 3.16Å; K134-A137 PolarHBondContact O-N 3.14Å; K134-A137 VanDerWaalsContact O-N 3.17Å; K134-E138 WeakPolarHBondContact CE-OE1 3.49Å
135K82Confident81.3Confident108 Ų10864.5 Ų64.547%0.4733%0.331SS..Hα-helixtrans-61.4-23.9-178.9-68161.5-166.9167.80113.6D131 V132 A137 E138 A139D131-K135 VanDerWaalsContact O-CD 3.22Å; D131-K135 WeakPolarHBondContact O-CD 3.12Å; D131-K135 WeakPolarHBondContact O-CG 3.38Å; D131-K135 PolarHBondContact O-N 2.98Å; D131-K135 IonicContact OD2-NZ 2.66Å; D131-K135 PolarHBondContact OD2-NZ 3.48Å; V132-K135 PolarHBondContact O-N 2.89Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.5Å; K135-E138 PolarHBondContact O-N 2.56Å; K135-A139 WeakPolarHBondContact O-CB 3.29Å; K135-A139 PolarHBondContact O-N 2.9Å
136I81.5Confident80.3Confident12 Ų1265.4 Ų65.46%0.06234%0.337CS..Hα-helixtrans-62.2-32.5176.4-82.9165.7000112.9L15 V132 L133 K134 C484 H486L15-I136 HydrophobicContact CD1-CD1 3.76Å; V132-I136 HydrophobicContact CG1-CD1 4.17Å; V132-I136 WeakPolarHBondContact O-CG1 3.42Å; V132-I136 PolarHBondContact O-N 2.75Å; L133-I136 HydrophobicContact CD2-CD1 4.22Å; K134-I136 PolarHBondContact O-N 2.85Å; K134-I136 VanDerWaalsContact O-N 3.16Å; I136-C484 HydrophobicContact CG1-CB 4.47Å; I136-C484 HydrophobicContact CG2-CB 4.23Å; I136-H486 HydrophobicContact CD1-CB 3.88Å; I136-H486 HydrophobicContact CG1-CB 4.38Å; I136-H486 VanDerWaalsContact CG1-CE1 3.5Å; I136-H486 WeakPolarHBondContact CG1-CE1 3.41Å; I136-H486 VanDerWaalsContact CG1-ND1 3.34Å; I136-H486 WeakPolarHBondContact CG1-ND1 3.42Å
137A64.7Low79.5Confident67 Ų6762.2 Ų62.255%0.55432%0.322SS*.Hα-helixtrans-78.7-28.1176.300000112.8K134 K135K134-A137 PolarHBondContact O-N 3.14Å; K134-A137 VanDerWaalsContact O-N 3.17Å; K135-A137 VanDerWaalsContact C-N 3.29Å; K135-A137 PolarHBondContact O-N 3.5Å
138E69.4Low78.8Confident123 Ų12360.9 Ų60.958%0.57531%0.308SS*.Hα-helixtrans-85-26.5-177.7-62.1165.1174.800112.1K134 K135 N140K134-E138 WeakPolarHBondContact CE-OE1 3.49Å; K135-E138 PolarHBondContact O-N 2.56Å; E138-N140 PolarHBondContact O-N 2.67Å
139A63.9Low77.8Confident24 Ų2459.1 Ų59.120%0.19830%0.303CS..  trans-8374-171.800000114K135 I141K135-A139 WeakPolarHBondContact O-CB 3.29Å; K135-A139 PolarHBondContact O-N 2.9Å; A139-I141 VanDerWaalsContact C-N 3.28Å; A139-I141 HydrophobicContact CB-CG2 4.4Å; A139-I141 PolarHBondContact O-N 3.43Å
140N65.4Low76.9Confident122 Ų12259.7 Ų59.765%0.65231%0.307SS*.  trans-67.484.1168.2-1754.8000111.3E138E138-N140 PolarHBondContact O-N 2.67Å
141I77.9Confident76.1Confident43 Ų4358.3 Ų58.322%0.22129%0.29CS..  trans-112.312.4178.968.5178.3000112.9A139 Q143 K144 T145 Y483 T485A139-I141 VanDerWaalsContact C-N 3.28Å; A139-I141 HydrophobicContact CB-CG2 4.4Å; A139-I141 PolarHBondContact O-N 3.43Å; I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 2.81Å; I141-K144 WeakPolarHBondContact O-CA 3.42Å; I141-K144 WeakPolarHBondContact O-CB 3.49Å; I141-K144 PolarHBondContact O-N 3.2Å; I141-T145 HydrophobicContact CG1-CG2 4.44Å; I141-T145 WeakPolarHBondContact O-CG2 3.45Å; I141-Y483 VanDerWaalsContact CG1-O 3.28Å; I141-Y483 WeakPolarHBondContact CG1-O 3.4Å; I141-T485 HydrophobicContact CD1-CG2 3.93Å
142Y78.9Confident75.1Confident6 Ų657.2 Ų57.22%0.02428%0.279CS..G310 helixtrans-48.9-49.2-175.1179.7-111.2000113K144 T145 Y148 Y483 F503 V513 P514 D516Y142-K144 PolarHBondContact O-N 2.92Å; Y142-T145 PolarHBondContact O-N 2.98Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; Y142-T145 PolarHBondContact O-OG1 2.97Å; Y142-Y148 AromaticContact CD1-CD2 3.98Å; Y142-Y148 HydrophobicContact CD1-CD2 3.98Å; Y142-Y148 AromaticContact CE1-CD2 3.57Å; Y142-Y148 HydrophobicContact CE1-CD2 3.57Å; Y142-Y148 HydrophobicContact CE1-CE2 4.19Å; Y142-Y148 WeakPolarHBondContact O-CB 3.48Å; Y142-Y483 AromaticContact CD2-CD2 3.8Å; Y142-Y483 HydrophobicContact CD2-CD2 3.8Å; Y142-Y483 HydrophobicContact CD2-CE2 4.45Å; Y142-Y483 HydrophobicContact CG-CD2 4.18Å; Y142-Y483 HydrophobicContact CG-CE2 4.41Å; Y142-F503 HydrophobicContact CD2-CE2 4.32Å; Y142-F503 HydrophobicContact CD2-CZ 4.19Å; Y142-F503 AromaticContact CE2-CE2 3.59Å; Y142-F503 HydrophobicContact CE2-CE2 3.59Å; Y142-F503 AromaticContact CE2-CZ 3.83Å; Y142-F503 HydrophobicContact CE2-CZ 3.83Å; Y142-V513 HydrophobicContact CE2-CG1 4.2Å; Y142-P514 HydrophobicContact CD1-CG 3.9Å; Y142-P514 HydrophobicContact CE1-CG 3.93Å; Y142-D516 WeakPolarHBondContact CE1-OD2 3.49Å; Y142-D516 PolarHBondContact OH-OD1 3.11Å; Y142-D516 PolarHBondContact OH-OD2 3.36Å
143Q75.2Confident74.1Confident115 Ų11559.3 Ų59.354%0.53729%0.288SS..G310 helixtrans-62.1-14.8179.4-65175.9-8.200114.3I141 Y148I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 2.81Å; Q143-Y148 HydrophobicContact CB-CD1 4.36Å; Q143-Y148 HydrophobicContact CB-CE1 4.28Å; Q143-Y148 HydrophobicContact CG-CE2 4.37Å; Q143-Y148 WeakPolarHBondContact O-CD1 3.37Å
144K72.6Confident73.1Confident169 Ų16958.8 Ų58.874%0.73529%0.286SS*.G310 helixtrans-100-6.4179.7-59.4-174.5179.1-176.20113.1I141 Y142I141-K144 WeakPolarHBondContact O-CA 3.42Å; I141-K144 WeakPolarHBondContact O-CB 3.49Å; I141-K144 PolarHBondContact O-N 3.2Å; Y142-K144 PolarHBondContact O-N 2.92Å
145T76.5Confident72.1Confident1 Ų154.5 Ų54.51%0.00627%0.267CS..SBendtrans-81.9157.7-174.280.20000113I141 Y142 F147 Y148 K149 D482 Y483 T485I141-T145 HydrophobicContact CG1-CG2 4.44Å; I141-T145 WeakPolarHBondContact O-CG2 3.45Å; Y142-T145 PolarHBondContact O-N 2.98Å; Y142-T145 VanDerWaalsContact O-N 3.09Å; Y142-T145 PolarHBondContact O-OG1 2.97Å; T145-F147 PolarHBondContact O-N 2.94Å; T145-Y148 PolarHBondContact O-N 3.45Å; T145-Y148 VanDerWaalsContact O-N 3.15Å; T145-K149 PolarHBondContact O-N 3.37Å; T145-K149 VanDerWaalsContact O-N 3.15Å; T145-D482 VanDerWaalsContact CB-O 3.32Å; T145-D482 WeakPolarHBondContact CB-O 3.42Å; T145-D482 VanDerWaalsContact CG2-O 3.3Å; T145-D482 WeakPolarHBondContact CG2-O 3.4Å; T145-D482 PolarHBondContact OG1-O 3.45Å; T145-Y483 WeakPolarHBondContact CG2-O 3.42Å; T145-T485 HydrophobicContact CG2-CG2 3.72Å
146P71.9Confident71.1Confident20 Ų2050.2 Ų50.213%0.1325%0.249CC..Hα-helixtrans-59-33.8176.9-25.736.2000112.9I10 W11 K149 V150I10-P146 HydrophobicContact CD1-CG 4.08Å; I10-P146 HydrophobicContact CG2-CG 4.1Å; W11-P146 HydrophobicContact CH2-CG 4.35Å; W11-P146 HydrophobicContact CZ2-CG 3.99Å; P146-K149 PolarHBondContact O-N 2.83Å; P146-V150 WeakPolarHBondContact O-CG2 3.18Å; P146-V150 PolarHBondContact O-N 3.3Å
147F76.1Confident70.1Confident1 Ų151.2 Ų51.20%0.00426%0.257CS..Hα-helixtrans-59.4-49.6174.6-171-76.1000110.9T145 K149 V150 R151 D482 C501 F503 I521 R526T145-F147 PolarHBondContact O-N 2.94Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 3.2Å; F147-V150 PolarHBondContact O-N 3.43Å; F147-R151 HydrophobicContact CD1-CB 4.23Å; F147-R151 HydrophobicContact CE1-CB 4.13Å; F147-R151 HydrophobicContact CE1-CG 4.45Å; F147-R151 WeakPolarHBondContact O-CB 3.46Å; F147-R151 PolarHBondContact O-N 3.17Å; F147-D482 HydrophobicContact CB-CB 3.94Å; F147-D482 HydrophobicContact CD2-CB 4.33Å; F147-D482 HydrophobicContact CG-CB 4.36Å; F147-C501 HydrophobicContact CZ-CB 4.29Å; F147-F503 HydrophobicContact CB-CD2 4.33Å; F147-F503 HydrophobicContact CB-CE2 4.03Å; F147-F503 AromaticContact CD1-CD2 3.58Å; F147-F503 HydrophobicContact CD1-CD2 3.58Å; F147-F503 AromaticContact CD1-CE2 3.71Å; F147-F503 HydrophobicContact CD1-CE2 3.71Å; F147-F503 AromaticContact CD2-CD2 3.48Å; F147-F503 HydrophobicContact CD2-CD2 3.48Å; F147-F503 VanDerWaalsContact CD2-CD2 3.48Å; F147-F503 HydrophobicContact CD2-CE2 4.05Å; F147-F503 HydrophobicContact CD2-CG 4.39Å; F147-F503 AromaticContact CE1-CD2 3.69Å; F147-F503 HydrophobicContact CE1-CD2 3.69Å; F147-F503 HydrophobicContact CE1-CE2 4.23Å; F147-F503 HydrophobicContact CE2-CB 3.99Å; F147-F503 AromaticContact CE2-CD2 3.59Å; F147-F503 HydrophobicContact CE2-CD2 3.59Å; F147-F503 HydrophobicContact CE2-CG 4.27Å; F147-F503 AromaticContact CG-CD2 3.5Å; F147-F503 HydrophobicContact CG-CD2 3.5Å; F147-F503 AromaticContact CG-CE2 3.63Å; F147-F503 HydrophobicContact CG-CE2 3.63Å; F147-F503 HydrophobicContact CZ-CB 4.24Å; F147-F503 AromaticContact CZ-CD2 3.71Å; F147-F503 HydrophobicContact CZ-CD2 3.71Å; F147-F503 HydrophobicContact CZ-CG 4.5Å; F147-I521 HydrophobicContact CE1-CD1 3.76Å; F147-I521 HydrophobicContact CE2-CD1 4.49Å; F147-I521 HydrophobicContact CE2-CG2 3.9Å; F147-I521 HydrophobicContact CZ-CD1 3.63Å; F147-I521 HydrophobicContact CZ-CG2 4.04Å; F147-R526 VanDerWaalsContact CD2-NH2 3.31Å
148Y78.1Confident70Confident53 Ų5351.1 Ų51.121%0.20825%0.245CC..Hα-helixtrans-62.9-39.7-179.9-176.9-92.7000112Y142 Q143 T145 R151 Y152Y142-Y148 AromaticContact CD1-CD2 3.98Å; Y142-Y148 HydrophobicContact CD1-CD2 3.98Å; Y142-Y148 AromaticContact CE1-CD2 3.57Å; Y142-Y148 HydrophobicContact CE1-CD2 3.57Å; Y142-Y148 HydrophobicContact CE1-CE2 4.19Å; Y142-Y148 WeakPolarHBondContact O-CB 3.48Å; Q143-Y148 HydrophobicContact CB-CD1 4.36Å; Q143-Y148 HydrophobicContact CB-CE1 4.28Å; Q143-Y148 HydrophobicContact CG-CE2 4.37Å; Q143-Y148 WeakPolarHBondContact O-CD1 3.37Å; T145-Y148 PolarHBondContact O-N 3.45Å; T145-Y148 VanDerWaalsContact O-N 3.15Å; Y148-R151 WeakPolarHBondContact O-CB 3.4Å; Y148-R151 PolarHBondContact O-N 2.81Å; Y148-Y152 VanDerWaalsContact O-CB 3.29Å; Y148-Y152 WeakPolarHBondContact O-CB 3.5Å; Y148-Y152 PolarHBondContact O-N 2.94Å
149K72.2Confident69.5Low57 Ų5746.4 Ų46.425%0.24823%0.227CC..Hα-helixtrans-58.6-53.3172.6-68.1-169.7-177.5-173.40111.8T145 P146 F147 R151 Y152 H153T145-K149 PolarHBondContact O-N 3.37Å; T145-K149 VanDerWaalsContact O-N 3.15Å; P146-K149 PolarHBondContact O-N 2.83Å; F147-K149 VanDerWaalsContact C-N 3.34Å; F147-K149 PolarHBondContact O-N 3.2Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 2.95Å; K149-Y152 PolarHBondContact O-N 2.82Å; K149-H153 PolarHBondContact O-CD2 2.83Å; K149-H153 PolarHBondContact O-N 3.16Å
150V70Confident69.1Low12 Ų1247.3 Ų47.37%0.07323%0.23CC..Hα-helixtrans-58.6-43.9179.2169.80000110.9P146 F147 H153 T154 I521 M524P146-V150 WeakPolarHBondContact O-CG2 3.18Å; P146-V150 PolarHBondContact O-N 3.3Å; F147-V150 PolarHBondContact O-N 3.43Å; V150-H153 PolarHBondContact O-N 3.15Å; V150-T154 WeakPolarHBondContact O-CB 3.47Å; V150-T154 PolarHBondContact O-N 2.93Å; V150-T154 PolarHBondContact O-OG1 2.89Å; V150-I521 HydrophobicContact CG1-CG2 4.31Å; V150-M524 HydrophobicContact CG1-SD 3.59Å; V150-M524 VanDerWaalsContact CG1-SD 3.59Å
151R73.6Confident68.7Low28 Ų2846.8 Ų46.811%0.10622%0.224CC..Hα-helixtrans-58.4-48.6175.8176.9-109.7170.453.118.1112.9F147 Y148 K149 H153 T154 F155 D516 V518 I521F147-R151 HydrophobicContact CD1-CB 4.23Å; F147-R151 HydrophobicContact CE1-CB 4.13Å; F147-R151 HydrophobicContact CE1-CG 4.45Å; F147-R151 WeakPolarHBondContact O-CB 3.46Å; F147-R151 PolarHBondContact O-N 3.17Å; Y148-R151 WeakPolarHBondContact O-CB 3.4Å; Y148-R151 PolarHBondContact O-N 2.81Å; K149-R151 VanDerWaalsContact C-N 3.3Å; K149-R151 PolarHBondContact O-N 2.95Å; R151-H153 PolarHBondContact O-N 3Å; R151-T154 PolarHBondContact O-N 3.03Å; R151-F155 WeakPolarHBondContact O-CB 3.24Å; R151-F155 PolarHBondContact O-N 3.35Å; R151-D516 IonicContact CZ-OD2 3.71Å; R151-D516 IonicContact NE-OD2 2.77Å; R151-D516 PolarHBondContact NH1-O 3.11Å; R151-D516 IonicContact NH1-OD1 2.7Å; R151-D516 PolarHBondContact NH1-OD1 3.48Å; R151-D516 VanDerWaalsContact NH1-OD1 3.07Å; R151-D516 IonicContact NH1-OD2 3.17Å; R151-D516 PolarHBondContact NH1-OD2 3.21Å; R151-D516 PolarHBondContact NH2-O 3.3Å; R151-V518 HydrophobicContact CG-CG2 4.27Å; R151-I521 HydrophobicContact CB-CD1 3.57Å; R151-I521 HydrophobicContact CG-CD1 3.82Å
152Y68.1Low67.8Low63 Ų6347 Ų4725%0.24723%0.231CC..Hα-helixtrans-58.1-47.6177.1-177.5-98.1000111.3Y148 K149 N156 A440Y148-Y152 VanDerWaalsContact O-CB 3.29Å; Y148-Y152 WeakPolarHBondContact O-CB 3.5Å; Y148-Y152 PolarHBondContact O-N 2.94Å; K149-Y152 PolarHBondContact O-N 2.82Å; Y152-N156 WeakPolarHBondContact CD1-ND2 3.2Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.37Å; Y152-N156 VanDerWaalsContact O-CB 3.27Å; Y152-N156 WeakPolarHBondContact O-CB 3.37Å; Y152-N156 PolarHBondContact O-N 3.46Å; Y152-N156 PolarHBondContact O-ND2 3.01Å; Y152-N156 VanDerWaalsContact O-ND2 3.16Å; Y152-A440 HydrophobicContact CE2-CB 3.78Å
153H65.7Low66.6Low60 Ų6047.7 Ų47.728%0.27824%0.237SC..Hα-helixtrans-66.5-36.2176.2-71.3-68000113.4K149 V150 R151 S157 T580K149-H153 PolarHBondContact O-CD2 2.83Å; K149-H153 PolarHBondContact O-N 3.16Å; V150-H153 PolarHBondContact O-N 3.15Å; R151-H153 PolarHBondContact O-N 3Å; H153-S157 WeakPolarHBondContact O-CB 3.21Å; H153-S157 PolarHBondContact O-N 3.18Å; H153-T580 HydrophobicContact CB-CG2 4.15Å
154T67.1Low65.6Low8 Ų847.2 Ų47.25%0.04924%0.238CC..Hα-helixtrans-63.9-54177.6-55.10000111.1V150 R151 N156 S157 Q158 V518 I521 M524V150-T154 WeakPolarHBondContact O-CB 3.47Å; V150-T154 PolarHBondContact O-N 2.93Å; V150-T154 PolarHBondContact O-OG1 2.89Å; R151-T154 PolarHBondContact O-N 3.03Å; T154-N156 VanDerWaalsContact C-N 3.32Å; T154-N156 PolarHBondContact O-N 2.94Å; T154-S157 WeakPolarHBondContact O-CB 3.3Å; T154-S157 PolarHBondContact O-N 3.37Å; T154-Q158 WeakPolarHBondContact O-CG 3.38Å; T154-Q158 PolarHBondContact O-N 3.16Å; T154-Q158 VanDerWaalsContact O-N 3.09Å; T154-V518 HydrophobicContact CG2-CG1 4.38Å; T154-I521 HydrophobicContact CG2-CG1 4.35Å; T154-M524 HydrophobicContact CG2-CE 3.86Å; T154-M524 WeakPolarHBondContact OG1-CE 3.27Å
155F63.8Low64.8Low53 Ų5342.3 Ų42.323%0.23223%0.225CC..Hα-helixtrans-61.3-41-179.8179.6-112.4000111.8R151 Q158 A159 F461 N464R151-F155 WeakPolarHBondContact O-CB 3.24Å; R151-F155 PolarHBondContact O-N 3.35Å; F155-Q158 PolarHBondContact O-N 2.73Å; F155-A159 WeakPolarHBondContact O-CB 3.13Å; F155-A159 PolarHBondContact O-N 3.26Å; F155-F461 HydrophobicContact CE1-CE1 4.47Å; F155-F461 AromaticContact CZ-CD1 3.96Å; F155-F461 HydrophobicContact CZ-CD1 3.96Å; F155-F461 AromaticContact CZ-CE1 3.92Å; F155-F461 HydrophobicContact CZ-CE1 3.92Å; F155-N464 WeakPolarHBondContact CE2-ND2 3.46Å
156N61.5Low64Low18 Ų1846.6 Ų46.610%0.09625%0.247CC..Hα-helixtrans-70.8-31.2178.4-65.2-14.8000112.8Y152 T154 V160 L444Y152-N156 WeakPolarHBondContact CD1-ND2 3.2Å; Y152-N156 WeakPolarHBondContact CE1-ND2 3.37Å; Y152-N156 VanDerWaalsContact O-CB 3.27Å; Y152-N156 WeakPolarHBondContact O-CB 3.37Å; Y152-N156 PolarHBondContact O-N 3.46Å; Y152-N156 PolarHBondContact O-ND2 3.01Å; Y152-N156 VanDerWaalsContact O-ND2 3.16Å; T154-N156 VanDerWaalsContact C-N 3.32Å; T154-N156 PolarHBondContact O-N 2.94Å; N156-V160 WeakPolarHBondContact O-CB 3.39Å; N156-V160 VanDerWaalsContact O-CG2 3.29Å; N156-V160 WeakPolarHBondContact O-CG2 3.5Å; N156-V160 PolarHBondContact O-N 2.86Å; N156-L444 HydrophobicContact CB-CD2 4.2Å
157S59.8Low62.9Low32 Ų3248.7 Ų48.722%0.22425%0.254CS..Hα-helixtrans-60.2-51.3169.7-156.20000109.8H153 T154 A159 V160 E161H153-S157 WeakPolarHBondContact O-CB 3.21Å; H153-S157 PolarHBondContact O-N 3.18Å; T154-S157 WeakPolarHBondContact O-CB 3.3Å; T154-S157 PolarHBondContact O-N 3.37Å; S157-A159 PolarHBondContact O-N 2.77Å; S157-V160 PolarHBondContact O-N 3.15Å; S157-E161 WeakPolarHBondContact CB-OE1 3.39Å; S157-E161 WeakPolarHBondContact O-CB 3.5Å; S157-E161 VanDerWaalsContact O-CG 3.26Å; S157-E161 WeakPolarHBondContact O-CG 3.46Å; S157-E161 PolarHBondContact O-N 3.14Å; S157-E161 PolarHBondContact OG-OE1 3.46Å
158Q62.7Low61.7Low66 Ų6652.3 Ų52.331%0.30828%0.279SS..Hα-helixtrans-61.1-42.2179.3-68.3173.9-30.900112.5T154 F155 E161 A162 D520T154-Q158 WeakPolarHBondContact O-CG 3.38Å; T154-Q158 PolarHBondContact O-N 3.16Å; T154-Q158 VanDerWaalsContact O-N 3.09Å; F155-Q158 PolarHBondContact O-N 2.73Å; Q158-E161 PolarHBondContact O-N 3.02Å; Q158-A162 WeakPolarHBondContact O-CB 3.2Å; Q158-A162 PolarHBondContact O-N 3.03Å; Q158-D520 PolarHBondContact NE2-OD2 3Å
159A58.2Low60.4Low23 Ų2353 Ų5319%0.1929%0.291CS..Hα-helixtrans-64.8-41.2177.500000112F155 S157 A162 C163F155-A159 WeakPolarHBondContact O-CB 3.13Å; F155-A159 PolarHBondContact O-N 3.26Å; S157-A159 PolarHBondContact O-N 2.77Å; A159-A162 PolarHBondContact O-N 2.62Å; A159-C163 PolarHBondContact O-N 3.25Å; A159-C163 PolarHBondContact O-SG 2.92Å
160V55.4Low59.1Low44 Ų4455.4 Ų55.427%0.26730%0.304SS..Hα-helixtrans-67.3-42.8175.3169.10000111.3N156 S157 A162 C163 L164N156-V160 WeakPolarHBondContact O-CB 3.39Å; N156-V160 VanDerWaalsContact O-CG2 3.29Å; N156-V160 WeakPolarHBondContact O-CG2 3.5Å; N156-V160 PolarHBondContact O-N 2.86Å; S157-V160 PolarHBondContact O-N 3.15Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 2.9Å; V160-C163 PolarHBondContact O-N 2.95Å; V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.42Å; V160-L164 WeakPolarHBondContact O-CB 3.22Å; V160-L164 VanDerWaalsContact O-CG 3.28Å; V160-L164 WeakPolarHBondContact O-CG 3.18Å; V160-L164 PolarHBondContact O-N 3.38Å
161E58Low57.7Low111 Ų11160.3 Ų60.352%0.51933%0.33SS..Hα-helixtrans-62.3-39.1176.5-72.8162.1-133.800111.8S157 Q158 L164 S165S157-E161 WeakPolarHBondContact CB-OE1 3.39Å; S157-E161 WeakPolarHBondContact O-CB 3.5Å; S157-E161 VanDerWaalsContact O-CG 3.26Å; S157-E161 WeakPolarHBondContact O-CG 3.46Å; S157-E161 PolarHBondContact O-N 3.14Å; S157-E161 PolarHBondContact OG-OE1 3.46Å; Q158-E161 PolarHBondContact O-N 3.02Å; E161-L164 PolarHBondContact O-N 3.38Å; E161-S165 PolarHBondContact O-N 3.21Å
162A58.7Low56.2Low46 Ų4667.2 Ų67.238%0.3836%0.36SS..Hα-helixtrans-65.3-43.3171.900000112.5Q158 A159 V160 L164 S165 I166Q158-A162 WeakPolarHBondContact O-CB 3.2Å; Q158-A162 PolarHBondContact O-N 3.03Å; A159-A162 PolarHBondContact O-N 2.62Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 2.9Å; A162-L164 VanDerWaalsContact C-N 3.25Å; A162-L164 PolarHBondContact O-N 2.84Å; A162-S165 PolarHBondContact O-N 3.35Å; A162-S165 PolarHBondContact O-OG 2.85Å; A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.44Å; A162-I166 PolarHBondContact O-N 3.11Å
163C53.5Low55Low21 Ų2170.3 Ų70.314%0.14239%0.386CS..Hα-helixtrans-63.7-31175.2-67.50000112.7A159 V160 K167 C454A159-C163 PolarHBondContact O-N 3.25Å; A159-C163 PolarHBondContact O-SG 2.92Å; V160-C163 PolarHBondContact O-N 2.95Å; C163-K167 WeakPolarHBondContact O-CD 3.12Å; C163-K167 WeakPolarHBondContact O-CG 3.45Å; C163-K167 PolarHBondContact O-N 3.12Å; C163-C454 PolarHBondContact SG-O 3.48Å
164L54.5Low53.6Low106 Ų10674 Ų7456%0.55540%0.404SS*.Hα-helixtrans-77.1-36.9175.8-71.7169.7000112.3V160 E161 A162 K167 S168V160-L164 HydrophobicContact CG1-CD1 3.91Å; V160-L164 HydrophobicContact CG1-CG 4.42Å; V160-L164 WeakPolarHBondContact O-CB 3.22Å; V160-L164 VanDerWaalsContact O-CG 3.28Å; V160-L164 WeakPolarHBondContact O-CG 3.18Å; V160-L164 PolarHBondContact O-N 3.38Å; E161-L164 PolarHBondContact O-N 3.38Å; A162-L164 VanDerWaalsContact C-N 3.25Å; A162-L164 PolarHBondContact O-N 2.84Å; L164-K167 PolarHBondContact O-N 2.96Å; L164-S168 PolarHBondContact O-N 3.37Å
165S56.3Low51.9Low65 Ų6579.8 Ų79.846%0.45544%0.435SS..Hα-helixtrans-69.4-39.8177.670.40000112E161 A162 K167 S168 S169E161-S165 PolarHBondContact O-N 3.21Å; A162-S165 PolarHBondContact O-N 3.35Å; A162-S165 PolarHBondContact O-OG 2.85Å; S165-K167 PolarHBondContact O-N 3.3Å; S165-S168 WeakPolarHBondContact O-CA 3.38Å; S165-S168 WeakPolarHBondContact O-CB 3.48Å; S165-S168 PolarHBondContact O-N 2.91Å; S165-S168 PolarHBondContact O-OG 3.14Å; S165-S169 PolarHBondContact O-N 3.19Å; S165-S169 VanDerWaalsContact O-N 3.08Å; S165-S169 PolarHBondContact O-OG 2.81Å
166I58.3Low50.5Low91 Ų9184.9 Ų84.947%0.46747%0.465SS..Hα-helixtrans-56.9-48.9170.8-67.3164.8000110.6A162 S168 S169 E170A162-I166 VanDerWaalsContact O-CG1 3.32Å; A162-I166 WeakPolarHBondContact O-CG1 3.44Å; A162-I166 PolarHBondContact O-N 3.11Å; I166-S168 PolarHBondContact O-N 3.06Å; I166-S169 PolarHBondContact O-N 2.67Å; I166-S169 VanDerWaalsContact O-N 3.09Å; I166-S169 PolarHBondContact O-OG 3.18Å; I166-E170 HydrophobicContact CG2-CG 4.39Å; I166-E170 WeakPolarHBondContact O-CG 3.26Å; I166-E170 PolarHBondContact O-N 3.13Å
167K49.9Very low49.2Very low64 Ų6492.2 Ų92.228%0.27850%0.499SS..Hα-helixtrans-60.5-30.8175.3-73.9171.5-178.1175.70112.6C163 L164 S165 N171 C454C163-K167 WeakPolarHBondContact O-CD 3.12Å; C163-K167 WeakPolarHBondContact O-CG 3.45Å; C163-K167 PolarHBondContact O-N 3.12Å; L164-K167 PolarHBondContact O-N 2.96Å; S165-K167 PolarHBondContact O-N 3.3Å; K167-N171 WeakPolarHBondContact O-CB 3.38Å; K167-N171 PolarHBondContact O-N 3.09Å; K167-N171 VanDerWaalsContact O-N 3.14Å; K167-N171 PolarHBondContact O-ND2 3.3Å; K167-C454 VanDerWaalsContact CE-SG 3.5Å; K167-C454 PolarHBondContact NZ-SG 2.95Å; K167-C454 VanDerWaalsContact NZ-SG 3.43Å
168S50.7Low48Very low78 Ų78101.6 Ų101.655%0.54553%0.529SS..Hα-helixtrans-72.7-30.3176.984.30000113.4L164 S165 I166L164-S168 PolarHBondContact O-N 3.37Å; S165-S168 WeakPolarHBondContact O-CA 3.38Å; S165-S168 WeakPolarHBondContact O-CB 3.48Å; S165-S168 PolarHBondContact O-N 2.91Å; S165-S168 PolarHBondContact O-OG 3.14Å; I166-S168 PolarHBondContact O-N 3.06Å
169S49.5Very low46.6Very low66 Ų66104.2 Ų104.246%0.46255%0.552SS.*Hα-helixtrans-80.5-38.2173.546.90000112.1S165 I166 K172 V173S165-S169 PolarHBondContact O-N 3.19Å; S165-S169 VanDerWaalsContact O-N 3.08Å; S165-S169 PolarHBondContact O-OG 2.81Å; I166-S169 PolarHBondContact O-N 2.67Å; I166-S169 VanDerWaalsContact O-N 3.09Å; I166-S169 PolarHBondContact O-OG 3.18Å; S169-K172 WeakPolarHBondContact O-CA 3.38Å; S169-K172 VanDerWaalsContact O-CB 3.27Å; S169-K172 WeakPolarHBondContact O-CB 3.43Å; S169-K172 PolarHBondContact O-N 3.18Å; S169-V173 PolarHBondContact O-N 3.22Å
170E45.2Very low45.4Very low109 Ų109111 Ų11151%0.50958%0.584SS.*Hα-helixtrans-59.1-48.3174.1-69.9173.1146.300111.8I166 K172 V173 M174I166-E170 HydrophobicContact CG2-CG 4.39Å; I166-E170 WeakPolarHBondContact O-CG 3.26Å; I166-E170 PolarHBondContact O-N 3.13Å; E170-K172 PolarHBondContact O-N 3.1Å; E170-K172 VanDerWaalsContact O-N 3.1Å; E170-V173 PolarHBondContact O-N 2.96Å; E170-M174 PolarHBondContact O-N 3.42Å; E170-M174 VanDerWaalsContact O-N 3.08Å
171N40.8Very low44.4Very low115 Ų115113.7 Ų113.762%0.61560%0.602SS**Hα-helixtrans-62.3-16.8174.3-79.9-73.7000113.4K167K167-N171 WeakPolarHBondContact O-CB 3.38Å; K167-N171 PolarHBondContact O-N 3.09Å; K167-N171 VanDerWaalsContact O-N 3.14Å; K167-N171 PolarHBondContact O-ND2 3.3Å
172K41.7Very low43.4Very low173 Ų173111.4 Ų111.475%0.75260%0.599SS**Hα-helixtrans-85.6-16.2175.9-141.2175.2-173.2178.90113.2S169 E170S169-K172 WeakPolarHBondContact O-CA 3.38Å; S169-K172 VanDerWaalsContact O-CB 3.27Å; S169-K172 WeakPolarHBondContact O-CB 3.43Å; S169-K172 PolarHBondContact O-N 3.18Å; E170-K172 PolarHBondContact O-N 3.1Å; E170-K172 VanDerWaalsContact O-N 3.1Å
173V44.1Very low42.4Very low128 Ų128114.7 Ų114.778%0.77662%0.616SS**Hα-helixtrans-97.2-32.5176.4179.50000111.1S169 E170 N175S169-V173 PolarHBondContact O-N 3.22Å; E170-V173 PolarHBondContact O-N 2.96Å; V173-N175 PolarHBondContact O-N 3.47Å
174M34.9Very low41.6Very low136 Ų136119.9 Ų119.967%0.6764%0.642SS**  trans-91.147.5176.8-76-171.962.600114.7E170 N176E170-M174 PolarHBondContact O-N 3.42Å; E170-M174 VanDerWaalsContact O-N 3.08Å; M174-N176 PolarHBondContact O-N 3.49Å
175N32.2Very low40.9Very low131 Ų131121.7 Ų121.770%0.70165%0.645SS**THydrogen-bonded Turntrans-75.656.7169.2-88.5-38.6000112.1V173V173-N175 PolarHBondContact O-N 3.47Å
176N34.8Very low40Very low160 Ų160126 Ų12686%0.85666%0.658SS**THydrogen-bonded Turntrans-162.128.4169.7-115.4-12.4000115.6M174M174-N176 PolarHBondContact O-N 3.49Å
177E34Very low38.8Very low171 Ų171127.2 Ų127.280%0.79966%0.664SS**SBendtrans-148.7176.6163.4-129.6168.5-145.200114.3
178R34Very low38.3Very low230 Ų230129.9 Ų129.987%0.86868%0.678SS**PPolyproline II helixtrans-70.8132.1-158.2-162.3175.9-61.6-168.32.2112.5L180R178-L180 PolarHBondContact O-N 3.21Å
179P34.5Very low37.7Very low121 Ų121128.2 Ų128.279%0.78667%0.669SS**PPolyproline II helixtrans-66.8125.9-172.625.4-34.8000113.1
180L32.6Very low37Very low166 Ų166129.1 Ų129.187%0.86968%0.676SS**PPolyproline II helixtrans-69.9146.1173.1-78.8161000111.5R178R178-L180 PolarHBondContact O-N 3.21Å
181P33.3Very low36.8Very low99 Ų99129.5 Ų129.564%0.64368%0.677SS**PPolyproline II helixtrans-70.7146.4-177.129.3-35000112.4
182S38.6Very low36.8Very low64 Ų64133 Ų13345%0.44868%0.682SS.*PPolyproline II helixtrans-63.1142.5-174.356.90000113.7L184 K185S182-L184 PolarHBondContact O-N 3.31Å; S182-K185 PolarHBondContact O-N 2.8Å; S182-K185 VanDerWaalsContact O-N 3.12Å
183P36.3Very low36.6Very low114 Ų114133.4 Ų133.474%0.7468%0.68SS**THydrogen-bonded Turntrans-54.2-26.9-177-29.936000115.4K185 H186P183-K185 PolarHBondContact O-N 2.92Å; P183-K185 VanDerWaalsContact O-N 3.15Å; P183-H186 PolarHBondContact O-N 3.21Å
184L37Very low36.4Very low131 Ų131129.8 Ų129.869%0.68666%0.663SS**Hα-helixtrans-55.7-27.7177.7-83.7156.3000114.3S182S182-L184 PolarHBondContact O-N 3.31Å
185K39.5Very low36.6Very low143 Ų143128.4 Ų128.462%0.62266%0.659SS**Hα-helixtrans-77.6-28.3-178.2-66.6-170.2177.1-178.10113.7S182 P183 A189S182-K185 PolarHBondContact O-N 2.8Å; S182-K185 VanDerWaalsContact O-N 3.12Å; P183-K185 PolarHBondContact O-N 2.92Å; P183-K185 VanDerWaalsContact O-N 3.15Å; K185-A189 PolarHBondContact O-N 3.04Å
186H37.5Very low37.1Very low155 Ų155126.1 Ų126.172%0.71865%0.65SS**Hα-helixtrans-75.4-33.1178.3-105.3-95000112.9P183 Q188 A189 S190P183-H186 PolarHBondContact O-N 3.21Å; H186-Q188 VanDerWaalsContact C-N 3.34Å; H186-Q188 PolarHBondContact O-N 2.58Å; H186-A189 PolarHBondContact O-N 2.79Å; H186-S190 PolarHBondContact O-N 3.3Å; H186-S190 VanDerWaalsContact O-N 3.11Å
187L34.5Very low37.3Very low117 Ų117122.5 Ų122.561%0.61364%0.637SS**Hα-helixtrans-61.6-42.7176.8-130.574000111.8A189 S190 Q191L187-A189 VanDerWaalsContact C-N 3.31Å; L187-A189 PolarHBondContact O-N 3.21Å; L187-S190 PolarHBondContact O-N 2.96Å; L187-Q191 WeakPolarHBondContact O-CG 3.39Å; L187-Q191 PolarHBondContact O-N 2.93Å
188Q39.3Very low37.6Very low120 Ų120121.6 Ų121.656%0.56163%0.63SS**Hα-helixtrans-67.9-27.5177-67.3-175.4-16.600113.3H186 R192H186-Q188 VanDerWaalsContact C-N 3.34Å; H186-Q188 PolarHBondContact O-N 2.58Å; Q188-R192 WeakPolarHBondContact O-CG 3.43Å
189A36.7Very low37.9Very low44 Ų44118.3 Ų118.336%0.36463%0.625SS.*Hα-helixtrans-71.7-47.2174.100000111.4K185 H186 L187 Q191 R192K185-A189 PolarHBondContact O-N 3.04Å; H186-A189 PolarHBondContact O-N 2.79Å; L187-A189 VanDerWaalsContact C-N 3.31Å; L187-A189 PolarHBondContact O-N 3.21Å; A189-Q191 VanDerWaalsContact C-N 3.34Å; A189-Q191 PolarHBondContact O-N 3.01Å; A189-R192 WeakPolarHBondContact O-CB 3.45Å; A189-R192 PolarHBondContact O-N 3.07Å; A189-R192 VanDerWaalsContact O-N 3.1Å
190S36.3Very low38Very low85 Ų85119.6 Ų119.659%0.59462%0.624SS**Hα-helixtrans-62-39.7-179.5-166.10000112.5H186 L187 R192 Y193 A194H186-S190 PolarHBondContact O-N 3.3Å; H186-S190 VanDerWaalsContact O-N 3.11Å; L187-S190 PolarHBondContact O-N 2.96Å; S190-R192 PolarHBondContact O-N 3.45Å; S190-Y193 PolarHBondContact O-N 2.6Å; S190-A194 PolarHBondContact O-N 3.36Å; S190-A194 VanDerWaalsContact O-N 3.13Å
191Q40.6Very low38.2Very low116 Ų116116 Ų11654%0.54261%0.613SS.*Hα-helixtrans-60.3-28.2175.2-72.7176.4-1.300113.7L187 A189 N195L187-Q191 WeakPolarHBondContact O-CG 3.39Å; L187-Q191 PolarHBondContact O-N 2.93Å; A189-Q191 VanDerWaalsContact C-N 3.34Å; A189-Q191 PolarHBondContact O-N 3.01Å; Q191-N195 PolarHBondContact O-N 3Å; Q191-N195 PolarHBondContact O-ND2 3.4Å
192R39.8Very low38.3Very low190 Ų190116.8 Ų116.872%0.71762%0.619SS**Hα-helixtrans-73.3-34177.5-70.6175.6-180-170.7-1112.5Q188 A189 S190 T196Q188-R192 WeakPolarHBondContact O-CG 3.43Å; A189-R192 WeakPolarHBondContact O-CB 3.45Å; A189-R192 PolarHBondContact O-N 3.07Å; A189-R192 VanDerWaalsContact O-N 3.1Å; S190-R192 PolarHBondContact O-N 3.45Å; R192-T196 PolarHBondContact O-OG1 3.04Å
193Y37.7Very low38Very low180 Ų180124.5 Ų124.571%0.70664%0.639SS**Hα-helixtrans-78.3-30.2175.6-75.6-81.8000113.2S190 N195 T196 S197S190-Y193 PolarHBondContact O-N 2.6Å; Y193-N195 VanDerWaalsContact C-N 3.29Å; Y193-N195 PolarHBondContact O-N 3.19Å; Y193-T196 PolarHBondContact O-OG1 3.1Å; Y193-T196 VanDerWaalsContact O-OG1 3.12Å; Y193-S197 PolarHBondContact O-N 3.26Å; Y193-S197 PolarHBondContact O-OG 3.36Å
194A40.2Very low37.8Very low52 Ų52130.4 Ų130.443%0.4365%0.646SS.*Hα-helixtrans-64.7-33.8173.500000112.8S190S190-A194 PolarHBondContact O-N 3.36Å; S190-A194 VanDerWaalsContact O-N 3.13Å
195N40.1Very low37.6Very low107 Ų107133.3 Ų133.357%0.57266%0.656SS**Hα-helixtrans-80.2-30.1-177.3-72-12.6000113.5Q191 Y193Q191-N195 PolarHBondContact O-N 3Å; Q191-N195 PolarHBondContact O-ND2 3.4Å; Y193-N195 VanDerWaalsContact C-N 3.29Å; Y193-N195 PolarHBondContact O-N 3.19Å
196T41.5Very low37.2Very low84 Ų84132 Ų13252%0.51567%0.665SS.*Hα-helixtrans-71.7-40.6174.644.30000112.2R192 Y193 K198 Q199R192-T196 PolarHBondContact O-OG1 3.04Å; Y193-T196 PolarHBondContact O-OG1 3.1Å; Y193-T196 VanDerWaalsContact O-OG1 3.12Å; T196-K198 VanDerWaalsContact C-N 3.28Å; T196-K198 PolarHBondContact O-N 3.49Å; T196-Q199 PolarHBondContact O-N 2.88Å
197S39.6Very low37.1Very low83 Ų83133.6 Ų133.658%0.5868%0.675SS**Hα-helixtrans-62.8-31.3176.3-65.30000113.5Y193 L200Y193-S197 PolarHBondContact O-N 3.26Å; Y193-S197 PolarHBondContact O-OG 3.36Å; S197-L200 PolarHBondContact O-N 3.05Å
198K41Very low36.9Very low153 Ų153135.4 Ų135.467%0.66569%0.686SS**Hα-helixtrans-76-17.7177.2-76.6-177.4175.91800114.6T196 L200 S201T196-K198 VanDerWaalsContact C-N 3.28Å; T196-K198 PolarHBondContact O-N 3.49Å; K198-L200 VanDerWaalsContact C-N 3.34Å; K198-S201 PolarHBondContact O-OG 3Å
199Q39.4Very low36.7Very low161 Ų161134.8 Ų134.875%0.75270%0.701SS**Hα-helixtrans-80.2-14.4172.9-72.6-143.1-2100113.7T196T196-Q199 PolarHBondContact O-N 2.88Å
200L36.4Very low36.6Very low148 Ų148137.6 Ų137.678%0.77572%0.718SS**SBendtrans-91.5-15.3-179-70.3164.8000113.8S197 K198S197-L200 PolarHBondContact O-N 3.05Å; K198-L200 VanDerWaalsContact C-N 3.34Å
201S36.8Very low36.6Very low91 Ų91141.2 Ų141.264%0.63673%0.725SS**SBendtrans-86-18.917752.70000114.7K198K198-S201 PolarHBondContact O-OG 3Å
202C35.9Very low36.2Very low114 Ų114142.8 Ų142.877%0.7774%0.737SS**SBendtrans-10524.6-171.9-58.90000113.8
203R31.5Very low35.8Very low227 Ų227140.1 Ų140.186%0.85774%0.736SS**  trans-130.436-172-148.5175.1-172.1175.62.4114
204R32Very low35.6Very low237 Ų237136 Ų13689%0.89473%0.734SS**  trans-136.862.5177-77.1-167.2173.8-160.6-1.2113.1
205Q32.8Very low35.2Very low193 Ų193144.9 Ų144.990%0.90276%0.756SS**SBendtrans-167150.7153.4-104.8155.428.600107.9
206S31.9Very low34.7Very low116 Ų116144.9 Ų144.981%0.81177%0.765SS**  trans68.495.4-168.8-161.20000116.3
207M34.9Very low34.3Very low188 Ų188150.6 Ų150.693%0.92678%0.783SS**  trans-151.6149.6133-89.4-163.4170.300107.6
208D30.9Very low33.7Very low155 Ų155157.3 Ų157.383%0.82980%0.797SS**  trans-75.1151.6-164.5-55.2-92.3000115.4
209A34.3Very low33.3Very low107 Ų107158.8 Ų158.888%0.88481%0.806SS**  trans-144.897.4159.400000108.6
210S34.1Very low32.6Very low103 Ų103156 Ų15672%0.7280%0.804SS**  trans-91.3173.2176.157.20000111.8
211H36.3Very low32.3Very low161 Ų161155.7 Ų155.775%0.74581%0.808SS**  trans76.9119.9174.7-83.9-95.5000119.9
212L33.3Very low31.7Very low149 Ų149156.8 Ų156.878%0.7881%0.81SS**  trans70.4142.2141.8-58.9164.9000119.4
213D32.1Very low31.3Very low133 Ų133160.8 Ų160.871%0.71182%0.815SS**  cis-161.5148.5-28.5-157.1-11.2000110.9
214S32.5Very low31.4Very low95 Ų95154.3 Ų154.366%0.66481%0.81SS**  trans67.9141.8154.382.90000122.6
215R31.8Very low31.2Very low237 Ų237152.6 Ų152.689%0.89481%0.809SS**  trans68.382.7149.2-73.7-179.5164.4174.3-3.6122
216S29.3Very low31.2Very low107 Ų107149.5 Ų149.575%0.74881%0.806SS**  20.7121.7113-1750000120.2
217K34.3Very low31.2Very low204 Ų204152 Ų15289%0.88781%0.81SS**  -170.8161109.4-103.4177.8-178.7-175.90113.6
218Y26.2Very low30.8Very low224 Ų224150.4 Ų150.488%0.87880%0.803SS**  trans-74.7144.7177-79.9-113.4000113
219H32.1Very low30.8Very low184 Ų184153.5 Ų153.585%0.85280%0.803SS**  -162.4157.2129.1-128.8-87.4000112.7
220S25Very low30.6Very low103 Ų103154.1 Ų154.172%0.7279%0.791SS**  trans-110142.4176.251.60000112.2
221V30.2Very low30.2Very low141 Ų141160.8 Ų160.886%0.85580%0.801SS**  trans-148.5153.3167.7-169.90000109
222V25.1Very low30Very low114 Ų114158.6 Ų158.669%0.69180%0.801SS**  trans-116.3178.1-176.3176.90000110
223F27.2Very low29.8Very low199 Ų199159 Ų15987%0.87380%0.804SS**  trans83151175.5-56.3-83.4000115.6
224A32.5Very low29.9Very low91 Ų91159.9 Ų159.975%0.75281%0.808SS**  cis-146.6171.11.700000112.8
225K28.1Very low29.7Very low201 Ų201163.5 Ų163.587%0.87481%0.812SS**  trans-92.9150.7164.7-74.8-178.9170.8177.90111.7
226P33.2Very low29.7Very low128 Ų128160.1 Ų160.183%0.83181%0.812SS**  trans-84.6172.1153.9-7.126.4000112.6
227L31.3Very low29.6Very low169 Ų169158.4 Ų158.489%0.88581%0.811SS**  trans-115.8164.8-167.9-92.9162.6000115.7
228I26.6Very low29.3Very low153 Ų153157.4 Ų157.479%0.78581%0.807SS**  trans-55.9152.1177.5-63.4152.8000113
229R30.7Very low29.3Very low220 Ų220155.3 Ų155.383%0.8380%0.803SS**  trans-150123.3146.1-158.5158.5-171.5166.84.7115.5
230D31.6Very low29.2Very low120 Ų120153.3 Ų153.364%0.64280%0.798SS**  trans44.6129.6150.3-46.3-18.9000122.1
231W24.8Very low29.3Very low244 Ų244159.8 Ų159.892%0.92481%0.809SS**  trans-99.4152.7167.1-95.254.8000111.3
232P33Very low29.1Very low114 Ų114163.2 Ų163.274%0.7481%0.806SS**  trans-115.1139.9152.635.6-25.4000112.6
233D28.8Very low29.3Very low157 Ų157165.1 Ų165.184%0.8481%0.812SS**  trans-73.9135.2165-74-64.8000111.2
234D33.3Very low29.4Very low152 Ų152166.7 Ų166.781%0.81381%0.814SS**  trans-154.8173137.1-142.8-20000112.3
235K29.4Very low29.4Very low171 Ų171167.1 Ų167.174%0.74381%0.809SS**  trans-100.6162.8-156.6-64.5153.9-174.9159.90114.2
236N30.9Very low29.5Very low167 Ų167163.7 Ų163.789%0.89381%0.808SS**  trans71.9105.8161.1-55.7-29.7000117.9
237G27.2Very low29.3Very low71 Ų71166.1 Ų166.173%0.73281%0.813SS**  trans127.2138.3134.900000117.7
238F28.6Very low29.3Very low183 Ų183162.5 Ų162.580%0.80381%0.807SS**  trans61.3101.9159.4-91.1-106.4000120
239K26.7Very low29.4Very low179 Ų179161.6 Ų161.678%0.77881%0.809SS**  41102.9130-58.9-177.3-177.8-177.30118.1
240D29Very low29.3Very low143 Ų143160.1 Ų160.177%0.76581%0.811SS**  -151.9132.5126.7-134.8-22000111.2
241Y26.1Very low29.2Very low239 Ų239162 Ų16294%0.93782%0.816SS**  trans-129.285.8174.7-97.1-74.8000109.3
242R26.5Very low29.4Very low213 Ų213155.7 Ų155.780%0.80481%0.809SS**  trans-127.5153.9163.1-81.4-179.6164.1171.7-3.3108.7
243N30.8Very low29.3Very low153 Ų153156.8 Ų156.882%0.81881%0.809SS**  trans76.390.5178.2-42.7-41.5000115.6
244Y27.7Very low29.3Very low232 Ų232155.9 Ų155.991%0.9181%0.808SS**  trans-135.8145133-104.2-82.6000109.5
245P33.4Very low29.1Very low100 Ų100154.1 Ų154.165%0.64981%0.807SS**PPolyproline II helixtrans-87.5164.6-174-4.625.2000112.7L247P245-L247 PolarHBondContact O-N 3.1Å
246P29.2Very low29.1Very low129 Ų129150.6 Ų150.684%0.83880%0.804SS**PPolyproline II helixtrans-66.6131.117428.7-34.5000111.3A248P246-A248 PolarHBondContact O-N 3.04Å
247L30.6Very low29.4Very low180 Ų180148.6 Ų148.694%0.94280%0.8SS**PPolyproline II helixtrans-68.8126.7177.6-70170.2000111P245P245-L247 PolarHBondContact O-N 3.1Å
248A30.9Very low29.4Very low92 Ų92152.8 Ų152.876%0.7680%0.804SS**PPolyproline II helixtrans-82.8155.4174.500000111.6P246 Q250P246-A248 PolarHBondContact O-N 3.04Å; A248-Q250 PolarHBondContact O-N 2.98Å
249V28.9Very low29.7Very low135 Ų135153.1 Ų153.182%0.81881%0.808SS**PPolyproline II helixtrans-63.8118.8173.9176.10000109.8Q251V249-Q251 PolarHBondContact O-N 3.27Å
250Q27.8Very low30.1Very low188 Ų188152.7 Ų152.788%0.87981%0.808SS**  trans-71.2113164.3-76.1-174.5-44.300109.4A248 S252A248-Q250 PolarHBondContact O-N 2.98Å; Q250-S252 PolarHBondContact O-N 2.98Å
251Q28.6Very low30.2Very low160 Ų160154.4 Ų154.475%0.74881%0.812SS**  trans-72.3119.4162.8-70177.5-29.400108.6V249 N253V249-Q251 PolarHBondContact O-N 3.27Å; Q251-N253 PolarHBondContact O-N 3.42Å
252S29.9Very low30.6Very low111 Ų111149.6 Ų149.678%0.77681%0.808SS**  trans-77.370.1177.960.90000111.6Q250 V254Q250-S252 PolarHBondContact O-N 2.98Å; S252-V254 PolarHBondContact O-N 3.38Å
253N30.1Very low30.7Very low138 Ų138146.7 Ų146.774%0.73881%0.808SS**  trans-72.894169.6-76.9-7.2000109.4Q251 C255Q251-N253 PolarHBondContact O-N 3.42Å; N253-C255 PolarHBondContact O-N 2.96Å; N253-C255 VanDerWaalsContact O-N 3.09Å
254V30.4Very low31.1Very low137 Ų137143.8 Ų143.883%0.8380%0.798SS**  trans-76.493.6169.3-1780000108.1S252S252-V254 PolarHBondContact O-N 3.38Å
255C28.5Very low31.4Very low115 Ų115141.5 Ų141.578%0.77779%0.792SS**PPolyproline II helixtrans-102.5120.5173.7-166.40000109.5N253N253-C255 PolarHBondContact O-N 2.96Å; N253-C255 VanDerWaalsContact O-N 3.09Å
256S28.7Very low31.4Very low98 Ų98142.5 Ų142.569%0.68580%0.797SS**PPolyproline II helixtrans-77.1125-173.6-540000112.2I258S256-I258 PolarHBondContact O-N 2.75Å
257P37.2Very low31.6Very low124 Ų124142.6 Ų142.681%0.80580%0.795SS**PPolyproline II helixtrans-75.5120167.730.3-31.4000110.1
258I28Very low31.5Very low160 Ų160139.5 Ų139.582%0.82178%0.784SS**PPolyproline II helixtrans-77.1120.9170.6-62.5170.3000108.5S256S256-I258 PolarHBondContact O-N 2.75Å
259Q35.7Very low31.7Very low190 Ų190140.6 Ų140.689%0.88878%0.784SS**  trans-145.7145158.5-113.4169.9-3.700110.2
260Q34.8Very low31.7Very low169 Ų169139.4 Ų139.479%0.7978%0.776SS**  trans-93.7158.2-165.1-66.2162.9-49.300112.3
261Q31.4Very low31.7Very low179 Ų179140.9 Ų140.984%0.83678%0.78SS**  trans15.7127.9148.5-60.9170.5-32.200116.9
262T33.7Very low31.7Very low138 Ų138141 Ų14185%0.84778%0.781SS**  -156152.954.247.90000115.7
263D29.3Very low31.7Very low152 Ų152143 Ų14381%0.81379%0.788SS**  trans-60.1176.1163.1-108.3-44.8000115.2
264P37.8Very low31.4Very low93 Ų93140.6 Ų140.660%0.60478%0.781SS**  cis-143.9-167.4-12.638.2-17.5000116.1
265K34.3Very low31.4Very low183 Ų183143.6 Ų143.680%0.79678%0.784SS**  trans94.2108.7143.6-82.1172.5-172.3175.10122.9
266T33Very low31.4Very low122 Ų122141.9 Ų141.975%0.74877%0.772SS**  72.1117.5129.7-32.80000121
267T33.1Very low31.6Very low131 Ų131145.7 Ų145.780%0.80478%0.779SS**  166.3140.1105-55.60000111.1
268T29.2Very low31.2Very low114 Ų114147.8 Ų147.870%0.69978%0.783SS**  trans-112.7161.117546.60000112.4
269P36Very low31.1Very low116 Ų116151.2 Ų151.275%0.75379%0.785SS**  -138.8134.8108.235.5-22.8000112.3
270T28.5Very low30.8Very low109 Ų109150.4 Ų150.467%0.66979%0.786SS**  64.7114.360.565.90000116.1
271F28.7Very low30.5Very low219 Ų219146 Ų14696%0.96179%0.787SS**  trans-135.1130.6149.7-117.3-86.7000107.5
272E26.9Very low30.3Very low164 Ų164143 Ų14377%0.76679%0.785SS**  trans-108.9155.9-174.8-62.6-176.4117.600112.5
273V30.7Very low30.3Very low153 Ų153145.1 Ų145.193%0.92779%0.785SS**  trans-135.9136.7140.3-175.40000107.3
274C23.6Very low30.4Very low87 Ų87143.6 Ų143.659%0.58878%0.781SS**  trans-139.5145.1-164.6175.30000112.2
275F30.2Very low29.8Very low200 Ų200145.7 Ų145.788%0.87779%0.787SS**  trans-167101.1154.9-95.8-80.6000105.9
276S29.8Very low29.8Very low78 Ų78143 Ų14355%0.54579%0.787SS.*  62.6143.777.8810000114
277H31.7Very low29.8Very low178 Ų178145.5 Ų145.582%0.82479%0.789SS**  cis-158.3-17816.9-123.5-36.8000113
278L29.3Very low29.8Very low169 Ų169147.5 Ų147.589%0.88579%0.789SS**  trans94154.7166.9-65.1161.9000120.5
279R25.2Very low30Very low231 Ų231147 Ų14787%0.87279%0.786SS**  trans-153.9-177.4-162.2-80.3-177169.4-179.1-2.5111.2
280L30.1Very low29.9Very low174 Ų174146.8 Ų146.891%0.91178%0.782SS**  trans84.7143.2175.4-67.479000114.2
281G29.3Very low29.9Very low77 Ų77146.7 Ų146.779%0.79479%0.786SS**  cis-148.9-166.33.900000113.7
282S26.7Very low30.1Very low114 Ų114141.8 Ų141.880%0.79778%0.779SS**  trans-140.8-177.9-172.662.50000112.3
283Q32.8Very low30.2Very low183 Ų183140 Ų14086%0.85578%0.78SS**  trans93.7149.2-178.2-58.7-172.1-24.200115.2
284V31.9Very low30.3Very low120 Ų120141.9 Ų141.973%0.72778%0.778SS**  cis-157.5165.2-11.4123.30000110.2
285D25.8Very low30.5Very low137 Ų137142.6 Ų142.673%0.73378%0.784SS**  trans-70.4163.3-179-42.8-101.3000116.9
286T33.6Very low30.6Very low128 Ų128143 Ų14379%0.78579%0.786SS**  -172.7132.7129.840.50000114.8
287H33.3Very low30.6Very low174 Ų174144.8 Ų144.881%0.80680%0.798SS**  trans33.3130.5142-62.3-95.3000121.7
288E32.8Very low30.6Very low172 Ų172139.8 Ų139.880%0.80480%0.795SS**  168.1165.885.9-99.6-128.7141.800110.4
289V33Very low30.8Very low104 Ų104137.9 Ų137.963%0.6379%0.79SS**  cis-165.2167-14.195.30000112.1
290V33.2Very low31.2Very low111 Ų111132.4 Ų132.467%0.67378%0.783SS**  trans36.9112.5158.41780000121.2
291S30.2Very low31.1Very low108 Ų108129.4 Ų129.476%0.75578%0.776SS**  67.2149.393-34.50000117
292S32Very low31.4Very low115 Ų115131.6 Ų131.680%0.80478%0.779SS**  cis-154.2172.530.3-51.70000113.9
293T28.6Very low31.7Very low127 Ų127132.7 Ų132.778%0.77978%0.776SS**  trans-98.3154.417847.90000114.1
294Q33.9Very low31.7Very low192 Ų192130.6 Ų130.690%0.89777%0.769SS**  -174162.7129-105.2165.568.900113.6
295S27.8Very low31.7Very low102 Ų102131.2 Ų131.271%0.71377%0.774SS**  trans-134.6144.6-173.856.80000111.2
296F32.1Very low31.8Very low210 Ų210133.6 Ų133.692%0.92178%0.78SS**  trans-155.1163.6158.1-109.4-73.7000112.1
297S29.6Very low31.8Very low114 Ų114132.6 Ų132.680%0.79779%0.785SS**  trans-146.7158.6-169.255.40000113.9
298G32.2Very low31.6Very low73 Ų73129.9 Ų129.975%0.75379%0.786SS**  trans100.6171.716900000116.5
299V33.2Very low31.6Very low129 Ų129127.6 Ų127.678%0.78279%0.789SS**  cis-153.8144.8-10.3-164.90000110
300T32.2Very low31.5Very low117 Ų117131.3 Ų131.372%0.71880%0.799SS**  trans47.5118.1158.448.60000124.4
301S29.6Very low31.3Very low110 Ų110137.5 Ų137.577%0.76981%0.81SS**  39123.9109.8-43.70000123.2
302S35.5Very low31.1Very low124 Ų124138.2 Ų138.287%0.86781%0.81SS**  trans160.1167.8135.448.20000112.7
303N31.2Very low31.1Very low136 Ų136138.8 Ų138.873%0.72781%0.808SS**  -166.8149.3-51.4-152.64.4000109.9
304I33.9Very low30.9Very low140 Ų140139 Ų13972%0.71881%0.81SS**  trans69.2147.4164.8-51.3149.8000113.1
305T32.2Very low30.8Very low133 Ų133133.9 Ų133.982%0.81680%0.8SS**  cis-152.1168.838.5-31.80000112.9
306Q28.5Very low30.8Very low186 Ų186134.8 Ų134.887%0.86980%0.801SS**  trans-84.4157.1176.7-59.3165.3-19.900114.2
307A33.2Very low30.8Very low107 Ų107132.3 Ų132.388%0.88480%0.798SS**  trans-153.3141.8151.200000110.5
308S28.2Very low30.6Very low118 Ų118132 Ų13283%0.82580%0.795SS**  trans-125.7142.7-172.260.50000113.3
309S33.8Very low30.6Very low123 Ų123134.5 Ų134.586%0.8680%0.797SS**  trans-153.3126.5159.658.70000112.6
310H30.8Very low30.3Very low182 Ų182133.7 Ų133.784%0.84379%0.793SS**  trans-73.4147.3171.4-78.2-109.5000111.9
311R29.1Very low30.1Very low242 Ų242134.2 Ų134.291%0.91380%0.796SS**  trans-155.4118.6139.9-131.7173.1-175.9170.41.9113.6
312T24.8Very low30Very low123 Ų123134.3 Ų134.376%0.75579%0.791SS**  trans-89.2131.2171.1-45.60000109.6
313V32.9Very low29.6Very low127 Ų127136.4 Ų136.477%0.7779%0.785SS**  trans-142127.4167.5-177.50000110.1
314T24.8Very low29.3Very low132 Ų132135.4 Ų135.481%0.8178%0.784SS**  trans-107.2125.6174.547.30000110.9
315A31Very low29.2Very low83 Ų83134.3 Ų134.369%0.68678%0.778SS**  trans-162.5103.1165.600000109.1
316T28.8Very low28.8Very low121 Ų121133.5 Ų133.574%0.74278%0.778SS**  58.4101.389.7630000115.8
317N31.6Very low28.9Very low159 Ų159129.3 Ų129.385%0.8577%0.769SS**  178.8141.1105.2-88.4-23.7000113.4
318C25Very low28.6Very low108 Ų108129.5 Ų129.573%0.7376%0.764SS**  trans-83.3177.2162.9-58.50000110.2
319P31.6Very low28.7Very low125 Ų125132.2 Ų132.281%0.81277%0.769SS**  -134.6137.897.836.6-28.1000114.6
320T27.4Very low28.4Very low112 Ų112134.6 Ų134.669%0.68777%0.767SS**  trans-74.8137168.4-53.90000110.4V322T320-V322 HydrophobicContact CG2-CG2 3.97Å
321V29Very low28.2Very low128 Ų128131.3 Ų131.378%0.77676%0.763SS**  trans-129.991.8156.5-176.10000109.3
322V25.9Very low28.4Very low111 Ų111125.5 Ų125.567%0.67376%0.756SS**  trans-71.4137.6159.8169.70000107.5T320T320-V322 HydrophobicContact CG2-CG2 3.97Å
323K28.4Very low28.6Very low169 Ų169124.3 Ų124.374%0.73575%0.753SS**  trans-133.771.6169.5-140.7176-171.7-178.60111.9I325K323-I325 HydrophobicContact CD-CD1 4.29Å; K323-I325 HydrophobicContact CG-CD1 4.32Å; K323-I325 HydrophobicContact CG-CG1 4.21Å; K323-I325 PolarHBondContact O-N 3.43Å
324T24.9Very low28.6Very low115 Ų115125.1 Ų125.171%0.70676%0.758SS**  trans-57.6120.9158.1-490000108.1
325I30.4Very low28.9Very low117 Ų117125.8 Ų125.860%0.676%0.757SS**  trans-121.798.7167.1-60.2-175.8000107.3K323 S327K323-I325 HydrophobicContact CD-CD1 4.29Å; K323-I325 HydrophobicContact CG-CD1 4.32Å; K323-I325 HydrophobicContact CG-CG1 4.21Å; K323-I325 PolarHBondContact O-N 3.43Å; I325-S327 PolarHBondContact O-N 3.46Å
326S24.3Very low28.9Very low116 Ų116127 Ų12781%0.81176%0.761SS**  trans-78.4109.8162.1-51.20000107.5
327S30.8Very low29.1Very low98 Ų98127.5 Ų127.569%0.68576%0.763SS**  trans-134.4100.617155.60000109.2I325I325-S327 PolarHBondContact O-N 3.46Å
328S26.3Very low28.8Very low111 Ų111125.8 Ų125.878%0.77675%0.753SS**  trans-67.1136.7167.350.80000110.6
329D31.2Very low29.1Very low174 Ų174128.7 Ų128.793%0.9376%0.76SS**  trans-145.6156.1149-101.2-43.8000109.6
330Q27.7Very low28.9Very low173 Ų173130.4 Ų130.481%0.80876%0.757SS**  trans-117.4166.7-166.6-64.5-176-1000113
331C26.3Very low29Very low113 Ų113129.4 Ų129.476%0.76476%0.76SS**  trans75.6153.4158.7-66.20000118.5
332P33.3Very low29.2Very low120 Ų120129.6 Ų129.678%0.77976%0.763SS**  cis-136171.1-32.236-19000115.5
333S28.5Very low29.2Very low98 Ų98132.6 Ų132.669%0.68578%0.775SS**  trans-44.5150.8176.755.20000119.1
334V34.2Very low29.3Very low145 Ų145128.8 Ų128.888%0.87978%0.775SS**  trans-134.2143.8136.2-169.90000108.9
335N29.8Very low29.3Very low145 Ų145129.2 Ų129.278%0.77578%0.777SS**  trans-80.3172.1-178-53.6-59.1000111.5
336S32Very low29Very low110 Ų110129 Ų12977%0.76979%0.785SS**  cis-156.3-172.321.357.60000109.3
337V32.4Very low29.2Very low130 Ų130133.3 Ų133.379%0.78879%0.79SS**  cis-154-175.214.475.70000111.2
338L26.5Very low28.9Very low123 Ų123134.2 Ų134.264%0.64480%0.796SS**  trans-80.4164.7-179.6-9170.3000112.9
339I31.1Very low29Very low170 Ų170132.6 Ų132.687%0.87280%0.797SS**  -149.7157.570.3-80.1168.5000112.2
340Q26.9Very low28.7Very low161 Ų161133.3 Ų133.375%0.75280%0.795SS**  trans-99.1164.4-162.5-60.1150.7-88.500114.9
341A30Very low28.7Very low90 Ų90130.1 Ų130.174%0.74479%0.792SS**  trans-92.1178.415900000111.4
342P32.8Very low28.8Very low132 Ų132130 Ų13086%0.85779%0.792SS**  trans-136.8169.6137.837.9-26000115
343L25.8Very low28.7Very low175 Ų175129 Ų12992%0.91679%0.788SS**  trans-111.2149.6-179.9-73.4157.3000111.9
344A31.2Very low28.6Very low89 Ų89132.1 Ų132.174%0.73680%0.796SS**  trans-165.6113.9154.400000108
345T24.7Very low28.4Very low123 Ų123130.5 Ų130.576%0.75579%0.791SS**  76.5107.662.763.10000116.6
346C23.9Very low28.2Very low113 Ų113128.7 Ų128.776%0.76479%0.79SS**  trans65.5126.8147.6-54.20000120.8
347F27.2Very low28Very low206 Ų206128.4 Ų128.490%0.90479%0.787SS**  -166.6165.1100.2-112.6-79.9000112.2
348S24.9Very low27.7Very low118 Ų118127.6 Ų127.683%0.82578%0.782SS**  trans-98.8162.1-170.2-440000114.2
349G27.9Very low27.8Very low77 Ų77128.9 Ų128.979%0.79479%0.79SS**  trans-168.4135.4167.400000112
350E24.8Very low27.8Very low188 Ų188125.9 Ų125.988%0.87978%0.784SS**  trans-118.7-171.3-167.3-59.3179.3105.400113.6
351S29.1Very low27.8Very low107 Ų107123.6 Ų123.675%0.74879%0.785SS**  trans78.8112170.879.60000115.6
352S27.1Very low27.8Very low111 Ų111125.3 Ų125.378%0.77679%0.792SS**  92.6146.975.583.20000111.8
353S31.1Very low27.4Very low98 Ų98124.5 Ų124.569%0.68579%0.789SS**  cis-163.5151.425.252.90000115.4
354L26.9Very low27.7Very low164 Ų164121.6 Ų121.686%0.85978%0.784SS**  trans39114.3136.6-63.4161.6000123.5
355S30Very low27.6Very low111 Ų111125.1 Ų125.178%0.77679%0.785SS**  174.3131.312632.70000108.9
356S26.1Very low27.7Very low107 Ų107126.9 Ų126.975%0.74879%0.786SS**  68.5129.251.578.50000112.9
357C27.9Very low27.9Very low103 Ų103124.7 Ų124.770%0.69678%0.783SS**  cis-150.5141.627.5-49.10000114.7
358T26.7Very low28Very low113 Ų113122.9 Ų122.969%0.69378%0.781SS**  53.3147.1125.266.40000125.3
359N27.4Very low28.1Very low151 Ų151125 Ų12581%0.80778%0.783SS**  trans76.5138.1151.7-63.6-8.2000117.3
360S30.7Very low28.3Very low106 Ų106127.2 Ų127.274%0.74178%0.783SS**  cis-149167.68.5-84.30000113.9
361S27.2Very low28.3Very low113 Ų113123.9 Ų123.979%0.7978%0.78SS**  trans-19.9158.3153.6-36.50000118
362S30.6Very low28.3Very low126 Ų126123.1 Ų123.188%0.88178%0.781SS**  cis-168.4179.643.751.20000114
363S25Very low28.4Very low115 Ų115125.7 Ų125.780%0.80478%0.78SS**  trans-117.8137.5-171.8172.10000114
364S32.1Very low28.2Very low114 Ų114125.5 Ų125.580%0.79778%0.779SS**  trans-175.4138.115150.90000109.1
365H29Very low28.3Very low163 Ų163127.9 Ų127.976%0.75578%0.779SS**  cis111.1101.111.9-172.5-85.9000114.6
366M26.5Very low28.1Very low161 Ų161131 Ų13179%0.79378%0.781SS**  trans71.3149.9161.2-65.9-71.9-88.700120.3
367G28Very low28.2Very low66 Ų66133.9 Ų133.968%0.6879%0.787SS**  trans127.174.9177.600000112.6
368L29.7Very low28.1Very low168 Ų168138 Ų13888%0.8880%0.796SS**  71.8125.582.6-70.9173.4000116.1
369L26.6Very low28.3Very low164 Ų164138 Ų13886%0.85980%0.8SS**  trans-57.9155.8165.4-86.7159.9000112
370P32Very low28.2Very low123 Ų123139.6 Ų139.680%0.79980%0.803SS**  -147.8178.286.539.4-21000117.4
371S25Very low28.1Very low117 Ų117144.5 Ų144.582%0.81881%0.811SS**  trans-77.2143-173.351.30000117.2
372A29.7Very low28.1Very low92 Ų92144 Ų14476%0.7681%0.807SS**  trans-162.5150.6154.500000107.4
373Q29.3Very low27.9Very low164 Ų164143.3 Ų143.377%0.76680%0.803SS**  cis-149.3165.92-122.4158-0.700108.9
374S25.8Very low28Very low95 Ų95145.9 Ų145.966%0.66480%0.802SS**  trans-78.2151.3179.241.90000113.4
375Y28.6Very low27.8Very low214 Ų214146.2 Ų146.284%0.83980%0.804SS**  trans-128.8100.9161.7-42.2-72.5000107.9
376E25.4Very low27.8Very low176 Ų176145.5 Ų145.582%0.82281%0.806SS**  trans-82.9127.7171.9-69.9166.3145.100108.7
377L30.1Very low27.6Very low168 Ų168140.7 Ų140.788%0.8880%0.797SS**  trans-132.785.6165.2-98.1171.4000107.5S379L377-S379 PolarHBondContact O-N 2.95Å
378E25.3Very low27.9Very low190 Ų190143.6 Ų143.689%0.88880%0.804SS**  trans-66.5122.7164.3-62.9-173.3130.300108.9
379S30.6Very low27.7Very low111 Ų111147 Ų14778%0.77681%0.805SS**  trans-138.7100.2160.666.40000107.7L377 F381L377-S379 PolarHBondContact O-N 2.95Å; S379-F381 PolarHBondContact O-N 3.08Å
380E25.3Very low27.7Very low186 Ų186147.6 Ų147.687%0.86980%0.803SS**  trans-54.9133.1174.3-55.2173.7118.900109.9
381F28.6Very low27.5Very low209 Ų209148.6 Ų148.692%0.91780%0.8SS**  trans-145.8134.6145.5-131.3-84.9000110.7S379S379-F381 PolarHBondContact O-N 3.08Å
382S26.9Very low27.5Very low101 Ų101148 Ų14871%0.70680%0.797SS**  trans-73.2150.8-158.8-55.30000114.5E384S382-E384 PolarHBondContact O-N 3.16Å
383S26.2Very low27.5Very low113 Ų113154 Ų15479%0.7980%0.801SS**  trans-62.7121.6159.454.10000111.2
384E26.7Very low27.3Very low169 Ų169150.1 Ų150.179%0.7980%0.804SS**  trans-117.994.2154.3-76.1-151.1127.800110.1S382 L386S382-E384 PolarHBondContact O-N 3.16Å; E384-L386 PolarHBondContact O-N 3.02Å
385S27.8Very low27.3Very low120 Ų120148.7 Ų148.784%0.83981%0.805SS**  trans-77.895165.355.90000109.4
386L29.1Very low27.2Very low149 Ų149146.3 Ų146.378%0.7881%0.806SS**  trans-108111.8173-91167000112E384E384-L386 PolarHBondContact O-N 3.02Å
387G23.9Very low27.3Very low60 Ų60145.8 Ų145.862%0.61981%0.808SS**  trans-68.8-175.9167.600000113.2
388P32.6Very low27Very low127 Ų127142 Ų14283%0.82580%0.796SS**  trans-78.3154.4-151.130.2-37.4000114.7
389R26.9Very low27.1Very low239 Ų239139.6 Ų139.690%0.90279%0.789SS**  trans-127.3122.9153-73.8-168171-166.9-2.6110.5I391R389-I391 PolarHBondContact O-N 2.95Å
390H26.3Very low26.9Very low176 Ų176141.8 Ų141.882%0.81579%0.787SS**  trans-57.4133.3165.6-82.2-119.1000110
391I28Very low27Very low144 Ų144143 Ų14374%0.73879%0.785SS**  trans-124.598.3152.5-58.9-177.6000106.6R389 Y393R389-I391 PolarHBondContact O-N 2.95Å; I391-Y393 HydrophobicContact CG2-CD2 3.93Å; I391-Y393 HydrophobicContact CG2-CE2 4.27Å; I391-Y393 PolarHBondContact O-N 2.95Å; I391-Y393 VanDerWaalsContact O-N 3.08Å
392S24.3Very low27Very low106 Ų106138.7 Ų138.774%0.74177%0.766SS**  trans-73.695.6177-61.30000110.4
393Y29.2Very low27Very low218 Ų218136.8 Ų136.886%0.85575%0.753SS**  trans-94.489.2158.8-99.8-80.6000109.8I391 G395I391-Y393 HydrophobicContact CG2-CD2 3.93Å; I391-Y393 HydrophobicContact CG2-CE2 4.27Å; I391-Y393 PolarHBondContact O-N 2.95Å; I391-Y393 VanDerWaalsContact O-N 3.08Å; Y393-G395 PolarHBondContact O-N 3.49Å
394G24.8Very low27Very low81 Ų81137.9 Ų137.984%0.83575%0.75SS**  trans-69.7115.9166.500000109.8
395G27.5Very low26.9Very low65 Ų65133.3 Ų133.367%0.6775%0.748SS**  trans-151.3117.2177.100000110.4Y393 L397Y393-G395 PolarHBondContact O-N 3.49Å; G395-L397 PolarHBondContact O-N 2.8Å; G395-L397 VanDerWaalsContact O-N 3.13Å
396N24.9Very low26.9Very low164 Ų164134.1 Ų134.188%0.87774%0.741SS**  trans-70.4107.6-179.5-69.3-41.4000110.4
397L27.9Very low26.7Very low165 Ų165131.7 Ų131.786%0.86474%0.737SS**  trans-130.645.6168.6-89.6165.4000111.2G395G395-L397 PolarHBondContact O-N 2.8Å; G395-L397 VanDerWaalsContact O-N 3.13Å
398S25.1Very low26.8Very low90 Ų90138 Ų13863%0.62975%0.748SS**  trans-72.9147.5147.355.50000109
399D25.9Very low26.5Very low138 Ų138140.1 Ų140.174%0.73875%0.747SS**  trans69.6101.3-175.8-52-37.9000114.8
400H27.1Very low26.4Very low158 Ų158134.5 Ų134.573%0.73174%0.744SS**  trans169.454.6139.5-91.3-59.1000114.5
401Y27.4Very low26.6Very low212 Ų212131.5 Ų131.583%0.83174%0.743SS**  trans-145.331.7160.7-95.9-56.8000115.9
402F28.4Very low26.5Very low117 Ų117133.7 Ų133.751%0.51375%0.747SS.*SBendtrans-96.5156.3149.2-76.1-72.1000109.6V104 E106V104-F402 VanDerWaalsContact O-CZ 3.25Å; V104-F402 WeakPolarHBondContact O-CZ 3.37Å; E106-F402 HydrophobicContact CB-CD1 4.24Å; E106-F402 HydrophobicContact CB-CE1 4.41Å; E106-F402 HydrophobicContact CG-CD1 4.11Å
403S26.8Very low26.9Very low61 Ų61136.9 Ų136.943%0.42776%0.755SS.*  trans-69.8131-153.5-56.20000114.9E106 K507E106-S403 WeakPolarHBondContact OE1-CB 3.19Å; E106-S403 PolarHBondContact OE1-N 3.33Å; E106-S403 PolarHBondContact OE1-OG 2.78Å; E106-S403 PolarHBondContact OE2-OG 3.38Å; S403-K507 PolarHBondContact OG-NZ 3.02Å
404N27.2Very low26.8Very low137 Ų137134.2 Ų134.273%0.73376%0.756SS**  trans-113.887.8153.9-92.2-21.2000109.3I406N404-I406 PolarHBondContact O-N 3.34Å
405G24.7Very low27.1Very low72 Ų72134.3 Ų134.374%0.74276%0.757SS**  trans-75.3101.9162.700000108.8S407G405-S407 PolarHBondContact O-N 3.4Å
406I26.7Very low27.3Very low137 Ų137136.5 Ų136.570%0.70376%0.762SS**  trans-75.498.4-173.3-52.4177.8000110N404 F408N404-I406 PolarHBondContact O-N 3.34Å; I406-F408 HydrophobicContact CG2-CD2 3.81Å; I406-F408 HydrophobicContact CG2-CE2 3.77Å; I406-F408 PolarHBondContact O-N 3.49Å
407S24.3Very low27.6Very low99 Ų99135.4 Ų135.469%0.69276%0.761SS**  trans-7892.9173.446.10000111.1G405 Q409G405-S407 PolarHBondContact O-N 3.4Å; S407-Q409 VanDerWaalsContact C-N 3.33Å; S407-Q409 PolarHBondContact O-N 2.91Å
408F26.5Very low27.7Very low192 Ų192132.4 Ų132.484%0.84275%0.754SS**  trans-68.890.2168.1-95.7-82.8000110.9I406I406-F408 HydrophobicContact CG2-CD2 3.81Å; I406-F408 HydrophobicContact CG2-CE2 3.77Å; I406-F408 PolarHBondContact O-N 3.49Å
409Q27.3Very low28.1Very low172 Ų172133.9 Ų133.980%0.80476%0.759SS**  trans-69.5131167.8-70.5-169.9-8.300110.2S407 S411S407-Q409 VanDerWaalsContact C-N 3.33Å; S407-Q409 PolarHBondContact O-N 2.91Å; Q409-S411 PolarHBondContact O-N 3.45Å
410S23.7Very low28.5Very low121 Ų121132.8 Ų132.885%0.84676%0.762SS**  trans-82.7103.7175.8-1740000110.6
411S31.5Very low28.7Very low113 Ų113131.2 Ų131.279%0.7977%0.766SS**  trans-94.2113.5175.452.80000111.3Q409Q409-S411 PolarHBondContact O-N 3.45Å
412K26.3Very low28.9Very low189 Ų189131 Ų13182%0.82277%0.77SS**  trans-68.5139.5177.2-59.1170.3-179173.70111.7
413L31.8Very low28.9Very low174 Ų174134.5 Ų134.591%0.91179%0.788SS**  trans-141.2134.5150.1-98.6170.1000109.1
414N27.3Very low29Very low162 Ų162140.5 Ų140.587%0.86681%0.809SS**  trans-93.8142.3-178-68.3-15.9000110.6
415G31.3Very low29.1Very low83 Ų83141.4 Ų141.486%0.85681%0.813SS**  trans-166101.717200000110.6
416S30.7Very low29.3Very low111 Ų111145 Ų14578%0.77682%0.815SS**  trans-104.6135.1-166.155.70000114.1
417T32.1Very low29.4Very low140 Ų140146 Ų14686%0.85982%0.822SS**  trans-159.3157.9131.711.90000113
418S30.1Very low29.8Very low103 Ų103148.2 Ų148.272%0.7283%0.825SS**  trans-61.5160.3177.646.70000113.5
419T33.1Very low29.9Very low120 Ų120144.1 Ų144.174%0.73682%0.82SS**  -157.5141.954.842.60000116.8
420S33.7Very low30.1Very low115 Ų115144.6 Ų144.680%0.80482%0.82SS**  trans54.9137.9142.4-54.60000122.6
421P31Very low30.9Very low126 Ų126142.6 Ų142.682%0.81880%0.803SS**  trans-100.6161.7-167.239.6-37000115.9
422K32.3Very low31.2Very low207 Ų207144.4 Ų144.490%0.980%0.804SS**  trans-133148151.8-83.2-172.2175.4-179.10110.1
423Q28Very low31.9Very low191 Ų191138.1 Ų138.189%0.89378%0.783SS**  trans-75.6137.8-177.1-62.7151.3-61.300111.1
424Q30.3Very low32.3Very low187 Ų187132.1 Ų132.187%0.87475%0.752SS**  trans-131.1145.3155.2-73.3-173.3-54.200108.3
425L28.1Very low32.9Very low156 Ų156128.2 Ų128.282%0.81774%0.737SS**  trans-71.1143.4173.6-95.559.7000109.3D427L425-D427 PolarHBondContact O-N 3.24Å
426N29.9Very low33.6Very low146 Ų146125.8 Ų125.878%0.78171%0.709SS**  trans-81.8109163-76.8-1.2000108.5L428N426-L428 PolarHBondContact O-N 3.17Å; N426-L428 VanDerWaalsContact O-N 3.11Å
427D27.5Very low34.4Very low158 Ų158125.4 Ų125.485%0.84570%0.695SS**  trans-68.4102.6162-76.4-44.4000108.8L425 S429L425-D427 PolarHBondContact O-N 3.24Å; D427-S429 PolarHBondContact O-N 3.16Å
428L33.4Very low35.3Very low146 Ų146122.9 Ų122.976%0.76468%0.676SS**  trans-78.1102.3174.4-78.8167.5000109.6N426 F430N426-L428 PolarHBondContact O-N 3.17Å; N426-L428 VanDerWaalsContact O-N 3.11Å; L428-F430 PolarHBondContact O-N 3.4Å; L428-F430 VanDerWaalsContact O-N 3.13Å
429S29.1Very low36.5Very low107 Ų107122 Ų12275%0.74866%0.663SS**  trans-65.7108170.456.10000110.1D427D427-S429 PolarHBondContact O-N 3.16Å
430F31.3Very low37.4Very low181 Ų181117.2 Ų117.279%0.79464%0.636SS**  trans-58145.8171.7-75.6-94.1000111.2L428 D434L428-F430 PolarHBondContact O-N 3.4Å; L428-F430 VanDerWaalsContact O-N 3.13Å; F430-D434 HydrophobicContact CD1-CB 4.12Å
431T39.8Very low38.4Very low79 Ų79113.6 Ų113.649%0.48561%0.607SS.*  trans-105.9159.4178.969.60000111.1S433 D434T431-S433 PolarHBondContact O-N 3.27Å; T431-S433 VanDerWaalsContact O-N 3.08Å; T431-S433 WeakPolarHBondContact OG1-CB 3.26Å; T431-D434 PolarHBondContact N-OD2 3.48Å; T431-D434 WeakPolarHBondContact O-CB 3.33Å; T431-D434 PolarHBondContact O-N 3.04Å; T431-D434 VanDerWaalsContact OG1-CG 3.24Å; T431-D434 PolarHBondContact OG1-OD1 3.49Å; T431-D434 PolarHBondContact OG1-OD2 2.95Å
432D39.2Very low39.7Very low151 Ų151114.2 Ų114.281%0.80759%0.593SS**Hα-helixtrans-58.6-23.1176.4-71.9-48.2000113.4D434 A436D432-D434 VanDerWaalsContact C-N 3.26Å; D432-D434 PolarHBondContact O-N 3.46Å; D432-A436 PolarHBondContact O-N 3.04Å
433S41Very low40.9Very low57 Ų57108.9 Ų108.940%0.39957%0.574SS.*Hα-helixtrans-56.1-41.6170.4147.20000111.8T431 Q437T431-S433 PolarHBondContact O-N 3.27Å; T431-S433 VanDerWaalsContact O-N 3.08Å; T431-S433 WeakPolarHBondContact OG1-CB 3.26Å; S433-Q437 WeakPolarHBondContact O-CG 3.47Å; S433-Q437 PolarHBondContact O-N 2.87Å; S433-Q437 PolarHBondContact O-NE2 3.1Å; S433-Q437 PolarHBondContact OG-NE2 2.82Å
434D38.8Very low42.3Very low48 Ų48101 Ų10126%0.25754%0.538SS..Hα-helixtrans-79.6-30.4-167.6-47-39.4000110.6F430 T431 D432 N438F430-D434 HydrophobicContact CD1-CB 4.12Å; T431-D434 PolarHBondContact N-OD2 3.48Å; T431-D434 WeakPolarHBondContact O-CB 3.33Å; T431-D434 PolarHBondContact O-N 3.04Å; T431-D434 VanDerWaalsContact OG1-CG 3.24Å; T431-D434 PolarHBondContact OG1-OD1 3.49Å; T431-D434 PolarHBondContact OG1-OD2 2.95Å; D432-D434 VanDerWaalsContact C-N 3.26Å; D432-D434 PolarHBondContact O-N 3.46Å; D434-N438 PolarHBondContact O-N 2.89Å; D434-N438 PolarHBondContact O-ND2 2.87Å
435C41Very low43.7Very low81 Ų8194.9 Ų94.955%0.54751%0.509SS..Hα-helixtrans-63.7-50.3172.1-172.10000111.5Q437 N438 D439C435-Q437 VanDerWaalsContact C-N 3.27Å; C435-Q437 PolarHBondContact O-N 3.36Å; C435-N438 PolarHBondContact O-N 3.3Å; C435-N438 VanDerWaalsContact O-N 3.16Å; C435-D439 PolarHBondContact O-N 2.91Å; C435-D439 VanDerWaalsContact O-N 3.14Å
436A45.2Very low45.3Very low31 Ų3192.8 Ų92.826%0.25650%0.495SS..Hα-helixtrans-62.6-31.2-179.300000113.4D432 A440D432-A436 PolarHBondContact O-N 3.04Å; A436-A440 PolarHBondContact O-N 2.88Å; A436-A440 VanDerWaalsContact O-N 3.11Å
437Q48.2Very low46.4Very low103 Ų10393.2 Ų93.248%0.48149%0.486SS..Hα-helixtrans-71.6-38.3175.9-69.6176.146.100112.6S433 C435 A440 M441S433-Q437 WeakPolarHBondContact O-CG 3.47Å; S433-Q437 PolarHBondContact O-N 2.87Å; S433-Q437 PolarHBondContact O-NE2 3.1Å; S433-Q437 PolarHBondContact OG-NE2 2.82Å; C435-Q437 VanDerWaalsContact C-N 3.27Å; C435-Q437 PolarHBondContact O-N 3.36Å; Q437-A440 WeakPolarHBondContact O-CB 3.5Å; Q437-A440 PolarHBondContact O-N 2.67Å; Q437-M441 PolarHBondContact O-N 3.4Å
438N50.6Low47.6Very low87 Ų8791.7 Ų91.747%0.46547%0.469SS..Hα-helixtrans-65.1-42.6174.9-82.1-80.3000111.6D434 C435 A440 M441 R442D434-N438 PolarHBondContact O-N 2.89Å; D434-N438 PolarHBondContact O-ND2 2.87Å; C435-N438 PolarHBondContact O-N 3.3Å; C435-N438 VanDerWaalsContact O-N 3.16Å; N438-A440 VanDerWaalsContact C-N 3.32Å; N438-A440 PolarHBondContact O-N 2.84Å; N438-M441 PolarHBondContact O-N 2.79Å; N438-R442 WeakPolarHBondContact O-CB 3.25Å; N438-R442 PolarHBondContact O-N 3.42Å
439D54.8Low48.7Very low86 Ų8691.5 Ų91.546%0.4647%0.469SS..Hα-helixtrans-64.4-35174.4-90.8-20.3000112.5C435 R442 N443C435-D439 PolarHBondContact O-N 2.91Å; C435-D439 VanDerWaalsContact O-N 3.14Å; D439-R442 PolarHBondContact O-N 2.87Å; D439-N443 WeakPolarHBondContact O-CB 3.35Å; D439-N443 PolarHBondContact O-N 2.76Å; D439-N443 PolarHBondContact O-ND2 2.62Å
440A52.6Low49.9Very low19 Ų1988 Ų8816%0.15744%0.441CS..Hα-helixtrans-62.6-50.6172.900000112.3Y152 A436 Q437 N438 R442 N443 L444Y152-A440 HydrophobicContact CE2-CB 3.78Å; A436-A440 PolarHBondContact O-N 2.88Å; A436-A440 VanDerWaalsContact O-N 3.11Å; Q437-A440 WeakPolarHBondContact O-CB 3.5Å; Q437-A440 PolarHBondContact O-N 2.67Å; N438-A440 VanDerWaalsContact C-N 3.32Å; N438-A440 PolarHBondContact O-N 2.84Å; A440-R442 VanDerWaalsContact C-N 3.28Å; A440-R442 PolarHBondContact O-N 3.07Å; A440-N443 PolarHBondContact O-N 3.36Å; A440-L444 WeakPolarHBondContact O-CG 3.18Å; A440-L444 PolarHBondContact O-N 2.85Å
441M53.6Low50.9Low39 Ų3983 Ų8319%0.19243%0.427CS..Hα-helixtrans-57.9-41.8175.8-76.4175.763.700111.6Q437 N438 L444 Q445 P458 F461Q437-M441 PolarHBondContact O-N 3.4Å; N438-M441 PolarHBondContact O-N 2.79Å; M441-L444 WeakPolarHBondContact O-CB 3.29Å; M441-L444 PolarHBondContact O-N 2.89Å; M441-Q445 PolarHBondContact O-N 3.3Å; M441-P458 HydrophobicContact CE-CB 4.24Å; M441-P458 HydrophobicContact SD-CB 4.45Å; M441-F461 HydrophobicContact CE-CD2 3.93Å; M441-F461 HydrophobicContact CE-CE2 3.9Å; M441-F461 HydrophobicContact SD-CD2 3.94Å; M441-F461 HydrophobicContact SD-CE2 4.19Å
442R58.4Low51.4Low139 Ų13986.4 Ų86.453%0.52544%0.439SS..Hα-helixtrans-68-40.7178.7-172.1176.3163.5-146-16.5112.8N438 D439 A440 L444 Q445 E446N438-R442 WeakPolarHBondContact O-CB 3.25Å; N438-R442 PolarHBondContact O-N 3.42Å; D439-R442 PolarHBondContact O-N 2.87Å; A440-R442 VanDerWaalsContact C-N 3.28Å; A440-R442 PolarHBondContact O-N 3.07Å; R442-L444 VanDerWaalsContact C-N 3.3Å; R442-L444 PolarHBondContact O-N 2.95Å; R442-Q445 WeakPolarHBondContact O-CB 3.47Å; R442-Q445 PolarHBondContact O-N 2.76Å; R442-E446 IonicContact CZ-OE1 3.31Å; R442-E446 VanDerWaalsContact CZ-OE1 3.31Å; R442-E446 IonicContact NE-OE1 2.92Å; R442-E446 PolarHBondContact NE-OE1 3.23Å; R442-E446 IonicContact NH2-OE1 2.83Å; R442-E446 PolarHBondContact NH2-OE1 3.48Å; R442-E446 WeakPolarHBondContact O-CG 3.38Å; R442-E446 PolarHBondContact O-N 2.9Å
443N58.1Low52Low94 Ų9484 Ų8450%0.50344%0.441SS..Hα-helixtrans-62-36.1172.5-87.9-91.3000112.1D439 A440 R447D439-N443 WeakPolarHBondContact O-CB 3.35Å; D439-N443 PolarHBondContact O-N 2.76Å; D439-N443 PolarHBondContact O-ND2 2.62Å; A440-N443 PolarHBondContact O-N 3.36Å; N443-R447 WeakPolarHBondContact O-CB 3.39Å; N443-R447 PolarHBondContact O-N 3.46Å
444L56.8Low52.3Low26 Ų2683 Ų8314%0.13643%0.434CS..Hα-helixtrans-67.1-42.6172.8-68.8169.8000111.8N156 A440 M441 R442 R447 Y448N156-L444 HydrophobicContact CB-CD2 4.2Å; A440-L444 WeakPolarHBondContact O-CG 3.18Å; A440-L444 PolarHBondContact O-N 2.85Å; M441-L444 WeakPolarHBondContact O-CB 3.29Å; M441-L444 PolarHBondContact O-N 2.89Å; R442-L444 VanDerWaalsContact C-N 3.3Å; R442-L444 PolarHBondContact O-N 2.95Å; L444-R447 PolarHBondContact O-N 3.31Å; L444-Y448 HydrophobicContact CD2-CD2 4.1Å; L444-Y448 HydrophobicContact CD2-CE2 3.79Å; L444-Y448 WeakPolarHBondContact O-CB 3.47Å; L444-Y448 WeakPolarHBondContact O-CD2 3.34Å; L444-Y448 PolarHBondContact O-N 3.05Å
445Q60.7Low52.8Low59 Ų5982.5 Ų82.528%0.27643%0.431SS..Hα-helixtrans-59-48.4176.3-167-179.311.900111.5M441 R442 N449 L455M441-Q445 PolarHBondContact O-N 3.3Å; R442-Q445 WeakPolarHBondContact O-CB 3.47Å; R442-Q445 PolarHBondContact O-N 2.76Å; Q445-N449 WeakPolarHBondContact O-CA 3.48Å; Q445-N449 PolarHBondContact O-N 3.28Å; Q445-L455 HydrophobicContact CB-CD1 4.15Å; Q445-L455 HydrophobicContact CG-CD1 4.07Å
446E60.4Low52.9Low112 Ų11281.2 Ų81.252%0.52342%0.421SS..Hα-helixtrans-68.6-38.1178.5-67.8-179.8-166.900112.1R442R442-E446 IonicContact CZ-OE1 3.31Å; R442-E446 VanDerWaalsContact CZ-OE1 3.31Å; R442-E446 IonicContact NE-OE1 2.92Å; R442-E446 PolarHBondContact NE-OE1 3.23Å; R442-E446 IonicContact NH2-OE1 2.83Å; R442-E446 PolarHBondContact NH2-OE1 3.48Å; R442-E446 WeakPolarHBondContact O-CG 3.38Å; R442-E446 PolarHBondContact O-N 2.9Å
447R54.8Low52.7Low154 Ų15485 Ų8558%0.58144%0.437SS*.Hα-helixtrans-72.1-32.9178.9-179.6172.3-90.9-147.1-11113.7N443 L444 D573N443-R447 WeakPolarHBondContact O-CB 3.39Å; N443-R447 PolarHBondContact O-N 3.46Å; L444-R447 PolarHBondContact O-N 3.31Å; R447-D573 IonicContact NH2-OD1 3.42Å; R447-D573 PolarHBondContact NH2-OD1 3.21Å
448Y52.5Low52.3Low126 Ų12683.2 Ų83.249%0.49443%0.434SS..Hα-helixtrans-112.5-1.9-174.2-66.7-74.4000115.2L444 L450L444-Y448 HydrophobicContact CD2-CD2 4.1Å; L444-Y448 HydrophobicContact CD2-CE2 3.79Å; L444-Y448 WeakPolarHBondContact O-CB 3.47Å; L444-Y448 WeakPolarHBondContact O-CD2 3.34Å; L444-Y448 PolarHBondContact O-N 3.05Å; Y448-L450 PolarHBondContact O-N 3.15Å
449N55.3Low51.5Low142 Ų14283.7 Ų83.776%0.75944%0.444SS*.THydrogen-bonded Turntrans51.742-175.2-72.2-93.2000112.8Q445Q445-N449 WeakPolarHBondContact O-CA 3.48Å; Q445-N449 PolarHBondContact O-N 3.28Å
450L54.4Low50.8Low33 Ų3383.6 Ų83.617%0.17345%0.446CS..  trans-74.9130.1179.5-70.9168.2000110.5Y448 C454 L455Y448-L450 PolarHBondContact O-N 3.15Å; L450-C454 HydrophobicContact CD2-CB 4.42Å; L450-L455 HydrophobicContact CB-CD2 4.3Å; L450-L455 HydrophobicContact CD1-CD2 4Å
451P52.4Low50.2Low76 Ų7685 Ų8549%0.49445%0.449SS..  trans-56147.5167.1-23.733.6000110.6A453 C454P451-A453 PolarHBondContact O-N 2.82Å; P451-C454 WeakPolarHBondContact O-CA 3.43Å; P451-C454 WeakPolarHBondContact O-CB 3.34Å; P451-C454 PolarHBondContact O-N 2.95Å
452M50.6Low49.6Very low151 Ų15188.7 Ų88.774%0.74447%0.468SS*.G310 helixtrans-56.6-37.8179.5-134.1176.6-64.900111.8C454 L455M452-C454 PolarHBondContact O-N 3.38Å; M452-L455 PolarHBondContact O-N 3.49Å; M452-L455 VanDerWaalsContact O-N 3.12Å
453A52.1Low48.9Very low102 Ų10286.9 Ų86.984%0.84348%0.477SS*.G310 helixtrans-71.2-5.1175.100000115.1P451P451-A453 PolarHBondContact O-N 2.82Å
454C46.5Very low48.7Very low36 Ų3685.9 Ų85.924%0.24347%0.472CS..G310 helixtrans-98.3-1.6170.3-64.80000112.9C163 K167 L450 P451 M452C163-C454 PolarHBondContact SG-O 3.48Å; K167-C454 VanDerWaalsContact CE-SG 3.5Å; K167-C454 PolarHBondContact NZ-SG 2.95Å; K167-C454 VanDerWaalsContact NZ-SG 3.43Å; L450-C454 HydrophobicContact CD2-CB 4.42Å; P451-C454 WeakPolarHBondContact O-CA 3.43Å; P451-C454 WeakPolarHBondContact O-CB 3.34Å; P451-C454 PolarHBondContact O-N 2.95Å; M452-C454 PolarHBondContact O-N 3.38Å
455L49Very low49.1Very low36 Ų3689.5 Ų89.519%0.18850%0.495CS..SBendtrans-96.2127.1170-59.8173000107.2Q445 L450 M452Q445-L455 HydrophobicContact CB-CD1 4.15Å; Q445-L455 HydrophobicContact CG-CD1 4.07Å; L450-L455 HydrophobicContact CB-CD2 4.3Å; L450-L455 HydrophobicContact CD1-CD2 4Å; M452-L455 PolarHBondContact O-N 3.49Å; M452-L455 VanDerWaalsContact O-N 3.12Å
456P44.6Very low50.1Low55 Ų5590.3 Ų90.336%0.35750%0.497SS..PPolyproline II helixtrans-55.4146167.4-22.531.5000110.6F461P456-F461 HydrophobicContact CB-CD2 4Å; P456-F461 HydrophobicContact CB-CE2 3.57Å; P456-F461 HydrophobicContact CB-CZ 3.89Å; P456-F461 HydrophobicContact CG-CE1 4.36Å; P456-F461 HydrophobicContact CG-CE2 3.77Å; P456-F461 HydrophobicContact CG-CZ 3.62Å; P456-F461 WeakPolarHBondContact O-CD2 3.34Å; P456-F461 WeakPolarHBondContact O-CE2 3.38Å
457D41.3Very low51.4Low110 Ų11089 Ų8959%0.58850%0.498SS*.PPolyproline II helixtrans-50.7136.4179.2-116.1-34.5000109.9C459 T460 F461D457-C459 PolarHBondContact O-N 3.48Å; D457-C459 VanDerWaalsContact O-N 3.09Å; D457-T460 HydrophobicContact CB-CG2 3.76Å; D457-T460 WeakPolarHBondContact CB-OG1 3.2Å; D457-T460 PolarHBondContact N-OG1 3.39Å; D457-T460 VanDerWaalsContact N-OG1 3.13Å; D457-T460 WeakPolarHBondContact O-CA 3.5Å; D457-T460 PolarHBondContact O-N 2.85Å; D457-T460 PolarHBondContact O-OG1 3.37Å; D457-F461 PolarHBondContact O-N 2.85Å
458P38.4Very low53.2Low65 Ų6582.7 Ų82.742%0.42248%0.476SS..THydrogen-bonded Turntrans-56.7-30.1177.522.2-32.9000111.9M441M441-P458 HydrophobicContact CE-CB 4.24Å; M441-P458 HydrophobicContact SD-CB 4.45Å
459C35.2Very low55.1Low98 Ų9879.3 Ų79.366%0.66247%0.466SS*.THydrogen-bonded Turntrans-72.8-21.9173.5-59.50000114.1D457 I462D457-C459 PolarHBondContact O-N 3.48Å; D457-C459 VanDerWaalsContact O-N 3.09Å; C459-I462 WeakPolarHBondContact O-CD1 3.42Å; C459-I462 WeakPolarHBondContact O-CG1 3.3Å
460T39.9Very low57.1Low84 Ų8474.2 Ų74.252%0.51544%0.437SS..THydrogen-bonded Turntrans-87.6-17.3176.262.20000113.7D457 I462D457-T460 HydrophobicContact CB-CG2 3.76Å; D457-T460 WeakPolarHBondContact CB-OG1 3.2Å; D457-T460 PolarHBondContact N-OG1 3.39Å; D457-T460 VanDerWaalsContact N-OG1 3.13Å; D457-T460 WeakPolarHBondContact O-CA 3.5Å; D457-T460 PolarHBondContact O-N 2.85Å; D457-T460 PolarHBondContact O-OG1 3.37Å; T460-I462 PolarHBondContact O-N 2.77Å
461F40Very low59Low49 Ų4979.7 Ų79.722%0.21546%0.455CS..G310 helixtrans-72.5-7.7173.5-89.9-65.8000114.5F155 M441 P456 D457 S463F155-F461 HydrophobicContact CE1-CE1 4.47Å; F155-F461 AromaticContact CZ-CD1 3.96Å; F155-F461 HydrophobicContact CZ-CD1 3.96Å; F155-F461 AromaticContact CZ-CE1 3.92Å; F155-F461 HydrophobicContact CZ-CE1 3.92Å; M441-F461 HydrophobicContact CE-CD2 3.93Å; M441-F461 HydrophobicContact CE-CE2 3.9Å; M441-F461 HydrophobicContact SD-CD2 3.94Å; M441-F461 HydrophobicContact SD-CE2 4.19Å; P456-F461 HydrophobicContact CB-CD2 4Å; P456-F461 HydrophobicContact CB-CE2 3.57Å; P456-F461 HydrophobicContact CB-CZ 3.89Å; P456-F461 HydrophobicContact CG-CE1 4.36Å; P456-F461 HydrophobicContact CG-CE2 3.77Å; P456-F461 HydrophobicContact CG-CZ 3.62Å; P456-F461 WeakPolarHBondContact O-CD2 3.34Å; P456-F461 WeakPolarHBondContact O-CE2 3.38Å; D457-F461 PolarHBondContact O-N 2.85Å; F461-S463 PolarHBondContact O-N 2.73Å
462I40.1Very low61Low116 Ų11680.9 Ų80.960%0.59546%0.457SS*.G310 helixtrans-65.1-7.8-178.2-59.3177000112.8C459 T460 N464C459-I462 WeakPolarHBondContact O-CD1 3.42Å; C459-I462 WeakPolarHBondContact O-CG1 3.3Å; T460-I462 PolarHBondContact O-N 2.77Å; I462-N464 PolarHBondContact O-N 3.15Å; I462-N464 VanDerWaalsContact O-N 3.15Å
463S44Very low63Low101 Ų10176.3 Ų76.371%0.70643%0.433SS*.G310 helixtrans-64.3-15.3-177.4520000116.2F461F461-S463 PolarHBondContact O-N 2.73Å
464N53.8Low65Low73 Ų7374.6 Ų74.639%0.3941%0.413SS..G310 helixtrans-98.622.8-174.2-99.21000115.8F155 I462 K466F155-N464 WeakPolarHBondContact CE2-ND2 3.46Å; I462-N464 PolarHBondContact O-N 3.15Å; I462-N464 VanDerWaalsContact O-N 3.15Å; N464-K466 PolarHBondContact O-N 3.37Å
465V64.3Low67.1Low102 Ų10273.4 Ų73.462%0.61840%0.403SS*.  trans-7566.1169.1-170.90000110.6C515V465-C515 CarbonylContact C-O 3.6Å; V465-C515 VanDerWaalsContact C-O 3.31Å; V465-C515 VanDerWaalsContact CA-O 3.31Å; V465-C515 WeakPolarHBondContact CA-O 3.24Å; V465-C515 HydrophobicContact CG1-CB 4.05Å
466K82.7Confident68.7Low76 Ų7681.6 Ų81.633%0.3343%0.431SS..  trans-94.1114.9175.5-174.9175.5174.2177.90110.5N464 D500 C515 D516 C517 P519N464-K466 PolarHBondContact O-N 3.37Å; K466-D500 WeakPolarHBondContact CE-OD2 3.38Å; K466-D500 IonicContact NZ-OD2 2.67Å; K466-D500 PolarHBondContact NZ-OD2 3.26Å; K466-C515 CarbonylContact C-O 3.4Å; K466-C515 PolarHBondContact N-O 3.43Å; K466-C515 VanDerWaalsContact N-O 3.15Å; K466-C515 CarbonylContact O-C 3.52Å; K466-D516 CarbonylContact O-C 3.52Å; K466-D516 PolarHBondContact O-N 2.9Å; K466-D516 VanDerWaalsContact O-N 3.11Å; K466-C517 HydrophobicContact CB-CB 4.32Å; K466-C517 HydrophobicContact CD-CB 4.4Å; K466-C517 HydrophobicContact CG-CB 4.14Å; K466-C517 VanDerWaalsContact O-CB 3.27Å; K466-C517 WeakPolarHBondContact O-CB 3.38Å; K466-C517 PolarHBondContact O-N 3.31Å; K466-P519 HydrophobicContact CD-CG 4.27Å
467P88.7Confident70.4Confident84 Ų8481.3 Ų81.355%0.54544%0.438SS..  trans-65148.6172.828.1-34.6000111.7
468H90.7Very high72.5Confident22 Ų2277.5 Ų77.510%0.10242%0.419CS..  trans-75.5127.7176.5-71.1-95.3000111F470 C498 C501 P514 D516 C517H468-F470 VanDerWaalsContact C-N 3.29Å; H468-F470 HydrophobicContact CB-CD2 3.65Å; H468-F470 HydrophobicContact CB-CE1 4.46Å; H468-F470 HydrophobicContact CB-CE2 3.33Å; H468-F470 HydrophobicContact CB-CG 4.35Å; H468-F470 HydrophobicContact CB-CZ 3.76Å; H468-F470 AromaticContact CG-CE2 3.97Å; H468-F470 PolarHBondContact O-N 2.93Å; H468-C498 HydrophobicContact CB-CB 4.18Å; H468-C501 PolarHBondContact ND1-SG 2.81Å; H468-P514 PolarHBondContact CD2-O 3.39Å; H468-P514 PolarHBondContact NE2-O 2.83Å; H468-D516 IonicContact CD2-OD1 3.58Å; H468-D516 IonicContact CE1-OD1 2.67Å; H468-D516 IonicContact NE2-OD1 2.84Å; H468-D516 PolarHBondContact NE2-OD1 2.86Å; H468-C517 HydrophobicContact CB-CB 4.4Å
469N94.1Very high74.9Confident54 Ų5476.2 Ų76.229%0.28941%0.408SS..  trans-82.972.5177.1-169.4-11000110.5R471 C498 I499N469-R471 PolarHBondContact OD1-NE 2.84Å; N469-R471 PolarHBondContact OD1-NH2 3.45Å; N469-C498 PolarHBondContact N-SG 3.31Å; N469-C498 VanDerWaalsContact N-SG 3.38Å; N469-C498 WeakPolarHBondContact O-CA 3.36Å; N469-I499 HydrophobicContact CB-CG1 3.95Å; N469-I499 WeakPolarHBondContact ND2-CD1 3.39Å; N469-I499 PolarHBondContact O-N 3.4Å
470F95.4Very high77.5Confident36 Ų3672 Ų7216%0.15838%0.378CS..EExtended strand (participates in β ladder)trans-70.8136.6-178.5-77.4-62.8000113H468 M496 C498 F503 A505 A510 V513H468-F470 VanDerWaalsContact C-N 3.29Å; H468-F470 HydrophobicContact CB-CD2 3.65Å; H468-F470 HydrophobicContact CB-CE1 4.46Å; H468-F470 HydrophobicContact CB-CE2 3.33Å; H468-F470 HydrophobicContact CB-CG 4.35Å; H468-F470 HydrophobicContact CB-CZ 3.76Å; H468-F470 AromaticContact CG-CE2 3.97Å; H468-F470 PolarHBondContact O-N 2.93Å; F470-M496 HydrophobicContact CB-CB 4.25Å; F470-M496 HydrophobicContact CB-CE 3.97Å; F470-M496 HydrophobicContact CD1-CB 3.88Å; F470-M496 HydrophobicContact CG-CB 4.3Å; F470-C498 HydrophobicContact CD1-CB 3.92Å; F470-C498 HydrophobicContact CE1-CB 3.8Å; F470-C498 HydrophobicContact CZ-CB 4.42Å; F470-F503 HydrophobicContact CE1-CB 4.22Å; F470-F503 AromaticContact CE1-CD1 3.83Å; F470-F503 HydrophobicContact CE1-CD1 3.83Å; F470-F503 HydrophobicContact CE1-CG 4.45Å; F470-F503 HydrophobicContact CZ-CB 4.39Å; F470-F503 AromaticContact CZ-CD1 3.67Å; F470-F503 HydrophobicContact CZ-CD1 3.67Å; F470-F503 HydrophobicContact CZ-CE1 4.42Å; F470-F503 HydrophobicContact CZ-CG 4.32Å; F470-A505 HydrophobicContact CE1-CB 4.37Å; F470-A510 HydrophobicContact CD1-CB 4.33Å; F470-A510 HydrophobicContact CD2-CB 3.86Å; F470-A510 HydrophobicContact CE1-CB 4.49Å; F470-A510 HydrophobicContact CE2-CB 4Å; F470-A510 HydrophobicContact CG-CB 4.04Å; F470-A510 HydrophobicContact CZ-CB 4.34Å; F470-V513 HydrophobicContact CE2-CB 4.16Å; F470-V513 HydrophobicContact CE2-CG2 4.21Å; F470-V513 HydrophobicContact CZ-CB 4.26Å; F470-V513 HydrophobicContact CZ-CG1 4.45Å; F470-V513 HydrophobicContact CZ-CG2 3.97Å
471R95.3Very high80Confident148 Ų14868 Ų6856%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-133.2146.5171.7-60.3-65.1169.4152-3.3110.3N469 H473 M496 K497 I499N469-R471 PolarHBondContact OD1-NE 2.84Å; N469-R471 PolarHBondContact OD1-NH2 3.45Å; R471-H473 PolarHBondContact O-N 2.91Å; R471-M496 CarbonylContact O-C 3.59Å; R471-M496 WeakPolarHBondContact O-CA 3.26Å; R471-K497 PolarHBondContact N-O 3.43Å; R471-K497 PolarHBondContact O-N 3.11Å; R471-I499 HydrophobicContact CB-CG2 4.11Å; R471-I499 HydrophobicContact CG-CG2 3.63Å
472I94.2Very high82.3Confident101 Ų10165.9 Ų65.952%0.51834%0.344SS..EExtended strand (participates in β ladder)trans-57.3134.5171.1-63.8169.6000108.6A493 M496I472-A493 HydrophobicContact CG2-CB 3.6Å; I472-M496 HydrophobicContact CB-SD 4.28Å; I472-M496 HydrophobicContact CG1-CE 4.19Å; I472-M496 HydrophobicContact CG1-SD 3.55Å; I472-M496 VanDerWaalsContact CG1-SD 3.55Å
473H93.3Very high84.6Confident54 Ų5461 Ų6125%0.2532%0.318CS..EExtended strand (participates in β ladder)trans-142.9127.1-171.9-179.8-81.6000111.1R471 Y475 G495 K497R471-H473 PolarHBondContact O-N 2.91Å; H473-Y475 HydrophobicContact CB-CE2 4.3Å; H473-Y475 AromaticContact CE1-CD1 3.6Å; H473-Y475 AromaticContact CE1-CE1 3.76Å; H473-Y475 AromaticContact ND1-CD1 3.39Å; H473-Y475 WeakPolarHBondContact ND1-CD1 3.33Å; H473-Y475 AromaticContact ND1-CD2 3.74Å; H473-Y475 AromaticContact ND1-CE1 3.36Å; H473-Y475 WeakPolarHBondContact ND1-CE1 3.47Å; H473-Y475 AromaticContact ND1-CE2 3.71Å; H473-Y475 AromaticContact ND1-CG 3.61Å; H473-Y475 AromaticContact ND1-CZ 3.54Å; H473-Y475 WeakPolarHBondContact O-CD2 3.37Å; H473-Y475 WeakPolarHBondContact O-CE2 3.35Å; H473-G495 PolarHBondContact N-O 2.89Å; H473-K497 HydrophobicContact CB-CB 3.7Å; H473-K497 WeakPolarHBondContact CD2-CD 3.46Å; H473-K497 VanDerWaalsContact NE2-CD 3.33Å; H473-K497 WeakPolarHBondContact NE2-CD 3.44Å; H473-K497 PolarHBondContact NE2-NZ 3.03Å
474T93.3Very high86.7Confident67 Ų6756.1 Ų56.141%0.41128%0.284SS..  trans-83.2119.9169.5-600000109.8A493T474-A493 PolarHBondContact OG1-N 3.48Å
475Y89.9Confident88.4Confident10 Ų1052.9 Ų52.94%0.03927%0.267CS..  trans-86.3135179.4-66.1-85000111.1H473 H479 I488 Q494 M496 Q504H473-Y475 HydrophobicContact CB-CE2 4.3Å; H473-Y475 AromaticContact CE1-CD1 3.6Å; H473-Y475 AromaticContact CE1-CE1 3.76Å; H473-Y475 AromaticContact ND1-CD1 3.39Å; H473-Y475 WeakPolarHBondContact ND1-CD1 3.33Å; H473-Y475 AromaticContact ND1-CD2 3.74Å; H473-Y475 AromaticContact ND1-CE1 3.36Å; H473-Y475 WeakPolarHBondContact ND1-CE1 3.47Å; H473-Y475 AromaticContact ND1-CE2 3.71Å; H473-Y475 AromaticContact ND1-CG 3.61Å; H473-Y475 AromaticContact ND1-CZ 3.54Å; H473-Y475 WeakPolarHBondContact O-CD2 3.37Å; H473-Y475 WeakPolarHBondContact O-CE2 3.35Å; Y475-H479 HydrophobicContact CD1-CB 3.78Å; Y475-H479 AromaticContact CD1-CD2 3.81Å; Y475-H479 AromaticContact CD1-CE1 3.82Å; Y475-H479 AromaticContact CD1-CG 3.4Å; Y475-H479 VanDerWaalsContact CD1-CG 3.4Å; Y475-H479 AromaticContact CD1-ND1 3.41Å; Y475-H479 WeakPolarHBondContact CD1-ND1 3.34Å; Y475-H479 HydrophobicContact CE1-CB 4.36Å; Y475-H479 AromaticContact CE1-ND1 3.87Å; Y475-H479 HydrophobicContact CG-CB 3.98Å; Y475-H479 AromaticContact CG-CG 3.92Å; Y475-I488 HydrophobicContact CE2-CD1 4.28Å; Y475-Q494 HydrophobicContact CD2-CB 4.28Å; Y475-M496 PolarHBondContact OH-O 3.24Å; Y475-M496 VanDerWaalsContact OH-O 3.11Å; Y475-Q504 HydrophobicContact CE1-CB 4.36Å; Y475-Q504 HydrophobicContact CE1-CG 3.97Å
476R84.6Confident89.6Confident209 Ų20948.7 Ų48.779%0.78924%0.241SC*.SBendtrans-96.7102.4176.7-70.1-172.1177.6-160.1-1.8109N534R476-N534 PolarHBondContact O-ND2 3.38Å
477G80.3Confident90Very high48 Ų4845.5 Ų45.550%0.49523%0.227SC..SBendtrans89.5-174.8-170.500000112.4H479G477-H479 PolarHBondContact O-CD2 3.08Å
478P84.2Confident90.2Very high30 Ų3041.8 Ų41.820%0.19520%0.202CC..  trans-79.7135.1-172.433.7-36000112Y16 W480 F487Y16-P478 HydrophobicContact CD2-CB 4.46Å; Y16-P478 HydrophobicContact CE2-CB 4.11Å; P478-W480 HydrophobicContact CB-CH2 3.74Å; P478-W480 HydrophobicContact CB-CZ3 3.65Å; P478-W480 HydrophobicContact CG-CH2 4.26Å; P478-W480 HydrophobicContact CG-CZ3 4.1Å; P478-F487 HydrophobicContact CB-CD2 4.49Å; P478-F487 HydrophobicContact CB-CE2 3.73Å
479H89Confident90.3Very high38 Ų3842.8 Ų42.818%0.17621%0.205CC..  trans-136.2151.8-179.5-81.4-109.5000111.6Y475 G477 F487 I488 Q504 N534Y475-H479 HydrophobicContact CD1-CB 3.78Å; Y475-H479 AromaticContact CD1-CD2 3.81Å; Y475-H479 AromaticContact CD1-CE1 3.82Å; Y475-H479 AromaticContact CD1-CG 3.4Å; Y475-H479 VanDerWaalsContact CD1-CG 3.4Å; Y475-H479 AromaticContact CD1-ND1 3.41Å; Y475-H479 WeakPolarHBondContact CD1-ND1 3.34Å; Y475-H479 HydrophobicContact CE1-CB 4.36Å; Y475-H479 AromaticContact CE1-ND1 3.87Å; Y475-H479 HydrophobicContact CG-CB 3.98Å; Y475-H479 AromaticContact CG-CG 3.92Å; G477-H479 PolarHBondContact O-CD2 3.08Å; H479-F487 WeakPolarHBondContact O-CD2 3.37Å; H479-I488 PolarHBondContact O-N 2.89Å; H479-Q504 PolarHBondContact CE1-OE1 3.21Å; H479-Q504 PolarHBondContact ND1-OE1 3.36Å; H479-N534 PolarHBondContact NE2-ND2 2.88Å
480W89.9Confident90.2Very high11 Ų1140.6 Ų40.64%0.04220%0.196CC..BIsolated β-bridgetrans-121.3155.3-179.5-73.2-111.4000110.7W11 N13 Y16 P478 F487 P614 V615W11-W480 HydrophobicContact CB-CG 4.34Å; W11-W480 HydrophobicContact CD2-CB 4.18Å; W11-W480 HydrophobicContact CD2-CG 4.31Å; W11-W480 HydrophobicContact CE3-CB 3.42Å; W11-W480 VanDerWaalsContact CE3-CB 3.42Å; W11-W480 AromaticContact CE3-CG 3.89Å; W11-W480 HydrophobicContact CE3-CG 3.89Å; W11-W480 HydrophobicContact CZ3-CB 3.65Å; N13-W480 WeakPolarHBondContact OD1-CZ2 3.49Å; N13-W480 PolarHBondContact OD1-NE1 3.42Å; Y16-W480 HydrophobicContact CD2-CH2 4.49Å; Y16-W480 HydrophobicContact CD2-CZ2 4.45Å; Y16-W480 HydrophobicContact CG-CZ2 4.43Å; P478-W480 HydrophobicContact CB-CH2 3.74Å; P478-W480 HydrophobicContact CB-CZ3 3.65Å; P478-W480 HydrophobicContact CG-CH2 4.26Å; P478-W480 HydrophobicContact CG-CZ3 4.1Å; W480-F487 VanDerWaalsContact CD1-N 3.3Å; W480-F487 HydrophobicContact CD2-CB 4.49Å; W480-F487 HydrophobicContact CD2-CD2 4.14Å; W480-F487 AromaticContact CE2-CD2 3.93Å; W480-F487 HydrophobicContact CE3-CD2 4.38Å; W480-F487 HydrophobicContact CG-CB 4.46Å; W480-F487 HydrophobicContact CH2-CD2 4.15Å; W480-F487 AromaticContact CZ2-CD2 3.94Å; W480-F487 HydrophobicContact CZ2-CD2 3.94Å; W480-F487 HydrophobicContact CZ3-CD2 4.38Å; W480-P614 HydrophobicContact CD2-CB 3.6Å; W480-P614 HydrophobicContact CD2-CG 4.37Å; W480-P614 HydrophobicContact CE3-CB 3.38Å; W480-P614 HydrophobicContact CE3-CG 3.91Å; W480-P614 HydrophobicContact CG-CB 4.45Å; W480-P614 HydrophobicContact CH2-CB 3.56Å; W480-P614 HydrophobicContact CZ2-CB 3.71Å; W480-P614 HydrophobicContact CZ3-CB 3.37Å; W480-P614 HydrophobicContact CZ3-CG 4.11Å; W480-V615 HydrophobicContact CH2-CG2 3.74Å; W480-V615 HydrophobicContact CZ2-CG2 4.49Å
481C91.2Very high90Very high0 Ų039.8 Ų39.80%019%0.193CC..  trans-79.6123.7-179.6174.90000111.9Y483 C484 T485 H486 I488 Q504 H506C481-Y483 PolarHBondContact O-N 2.93Å; C481-Y483 VanDerWaalsContact O-N 3.09Å; C481-Y483 PolarHBondContact SG-N 3.1Å; C481-C484 PolarHBondContact SG-N 2.9Å; C481-C484 VanDerWaalsContact SG-N 3.44Å; C481-T485 VanDerWaalsContact O-CA 3.24Å; C481-T485 WeakPolarHBondContact O-CA 3.33Å; C481-T485 PolarHBondContact O-N 3.28Å; C481-H486 PolarHBondContact N-O 3.03Å; C481-I488 HydrophobicContact CB-CD1 4.36Å; C481-I488 HydrophobicContact CB-CG1 4.18Å; C481-Q504 CarbonylContact C-O 3.45Å; C481-Q504 WeakPolarHBondContact CA-O 3.13Å; C481-H506 VanDerWaalsContact CB-CE1 3.46Å; C481-H506 WeakPolarHBondContact CB-CE1 3.14Å; C481-H506 WeakPolarHBondContact CB-ND1 3.4Å
482D88.6Confident89.8Confident3 Ų334.4 Ų34.42%0.01618%0.176CC..THydrogen-bonded Turntrans-64.7-7.1175.6-76.6-44.2000113.1T145 F147 F503 Q504 R526T145-D482 VanDerWaalsContact CB-O 3.32Å; T145-D482 WeakPolarHBondContact CB-O 3.42Å; T145-D482 VanDerWaalsContact CG2-O 3.3Å; T145-D482 WeakPolarHBondContact CG2-O 3.4Å; T145-D482 PolarHBondContact OG1-O 3.45Å; F147-D482 HydrophobicContact CB-CB 3.94Å; F147-D482 HydrophobicContact CD2-CB 4.33Å; F147-D482 HydrophobicContact CG-CB 4.36Å; D482-F503 HydrophobicContact CB-CD1 4.17Å; D482-F503 HydrophobicContact CB-CD2 3.77Å; D482-F503 HydrophobicContact CB-CE1 3.83Å; D482-F503 HydrophobicContact CB-CE2 3.35Å; D482-F503 HydrophobicContact CB-CG 4.16Å; D482-F503 HydrophobicContact CB-CZ 3.41Å; D482-F503 VanDerWaalsContact CB-CZ 3.41Å; D482-F503 WeakPolarHBondContact O-CZ 3.26Å; D482-Q504 PolarHBondContact N-O 3.47Å; D482-Q504 PolarHBondContact OD2-N 2.8Å; D482-R526 VanDerWaalsContact CG-NH1 3.34Å; D482-R526 IonicContact OD1-NH1 3.75Å; D482-R526 PolarHBondContact OD1-NH1 2.93Å; D482-R526 IonicContact OD2-CZ 3.98Å; D482-R526 IonicContact OD2-NH1 3.73Å; D482-R526 PolarHBondContact OD2-NH1 2.88Å; D482-R526 IonicContact OD2-NH2 2.82Å; D482-R526 PolarHBondContact OD2-NH2 2.67Å
483Y89.3Confident89.6Confident13 Ų1331.1 Ų31.15%0.05116%0.164CC..THydrogen-bonded Turntrans-101.9-62.1176.8-177.4-90.8000113I141 Y142 T145 C481 C509 L512 V513I141-Y483 VanDerWaalsContact CG1-O 3.28Å; I141-Y483 WeakPolarHBondContact CG1-O 3.4Å; Y142-Y483 AromaticContact CD2-CD2 3.8Å; Y142-Y483 HydrophobicContact CD2-CD2 3.8Å; Y142-Y483 HydrophobicContact CD2-CE2 4.45Å; Y142-Y483 HydrophobicContact CG-CD2 4.18Å; Y142-Y483 HydrophobicContact CG-CE2 4.41Å; T145-Y483 WeakPolarHBondContact CG2-O 3.42Å; C481-Y483 PolarHBondContact O-N 2.93Å; C481-Y483 VanDerWaalsContact O-N 3.09Å; C481-Y483 PolarHBondContact SG-N 3.1Å; Y483-C509 HydrophobicContact CD1-CB 4.19Å; Y483-L512 HydrophobicContact CE1-CB 4.19Å; Y483-L512 HydrophobicContact CE1-CD1 4.45Å; Y483-L512 HydrophobicContact CE2-CB 4.25Å; Y483-L512 WeakPolarHBondContact CE2-O 3.21Å; Y483-V513 HydrophobicContact CD2-CG2 4.02Å; Y483-V513 HydrophobicContact CG-CG2 4.46Å
484C88.7Confident89.5Confident0 Ų030.1 Ų30.10%016%0.159CC..THydrogen-bonded Turntrans-96.8-2.8-173.275.40000114.6K12 I136 C481 H486 H506K12-C484 PolarHBondContact NZ-O 2.94Å; I136-C484 HydrophobicContact CG1-CB 4.47Å; I136-C484 HydrophobicContact CG2-CB 4.23Å; C481-C484 PolarHBondContact SG-N 2.9Å; C481-C484 VanDerWaalsContact SG-N 3.44Å; C484-H486 PolarHBondContact O-N 3.25Å; C484-H486 VanDerWaalsContact O-N 3.1Å; C484-H486 PolarHBondContact O-ND1 2.97Å; C484-H506 PolarHBondContact SG-CE1 3.45Å; C484-H506 PolarHBondContact SG-ND1 3.35Å
485T87.8Confident89.5Confident4 Ų427 Ų273%0.02514%0.141CC..  trans56.611-176.778.60000117.4I10 W11 K12 I141 T145 C481I10-T485 HydrophobicContact CG2-CG2 3.9Å; I10-T485 WeakPolarHBondContact O-CB 3.36Å; I10-T485 PolarHBondContact O-OG1 3.03Å; W11-T485 WeakPolarHBondContact CA-O 3.42Å; W11-T485 HydrophobicContact CE3-CG2 4.47Å; W11-T485 HydrophobicContact CZ3-CG2 4.36Å; K12-T485 PolarHBondContact N-O 3.29Å; I141-T485 HydrophobicContact CD1-CG2 3.93Å; T145-T485 HydrophobicContact CG2-CG2 3.72Å; C481-T485 VanDerWaalsContact O-CA 3.24Å; C481-T485 WeakPolarHBondContact O-CA 3.33Å; C481-T485 PolarHBondContact O-N 3.28Å
486H89.8Confident89.7Confident15 Ų1528 Ų287%0.06915%0.146CC..BIsolated β-bridgetrans-86.1155170.5-60.385.1000111.8K12 L15 V132 I136 C481 C484 H506K12-H486 VanDerWaalsContact CD-CE1 3.42Å; K12-H486 WeakPolarHBondContact CD-CE1 3.11Å; K12-H486 VanDerWaalsContact CD-NE2 3.3Å; K12-H486 WeakPolarHBondContact CD-NE2 3.31Å; L15-H486 HydrophobicContact CD1-CB 4.14Å; V132-H486 VanDerWaalsContact CG1-CD2 3.45Å; V132-H486 WeakPolarHBondContact CG1-CD2 3.17Å; V132-H486 WeakPolarHBondContact CG1-NE2 3.47Å; I136-H486 HydrophobicContact CD1-CB 3.88Å; I136-H486 HydrophobicContact CG1-CB 4.38Å; I136-H486 VanDerWaalsContact CG1-CE1 3.5Å; I136-H486 WeakPolarHBondContact CG1-CE1 3.41Å; I136-H486 VanDerWaalsContact CG1-ND1 3.34Å; I136-H486 WeakPolarHBondContact CG1-ND1 3.42Å; C481-H486 PolarHBondContact N-O 3.03Å; C484-H486 PolarHBondContact O-N 3.25Å; C484-H486 VanDerWaalsContact O-N 3.1Å; C484-H486 PolarHBondContact O-ND1 2.97Å; H486-H506 PolarHBondContact O-CE1 2.97Å
487F91.1Very high90.2Very high8 Ų821.1 Ų21.14%0.03512%0.122CC..BIsolated β-bridgetrans-59143.2173.2174.7-107.2000112.7K12 L15 Y16 Q19 P478 H479 W480 W489 H506K12-F487 PolarHBondContact O-N 2.79Å; L15-F487 HydrophobicContact CB-CB 4.31Å; L15-F487 HydrophobicContact CB-CD1 4.34Å; Y16-F487 VanDerWaalsContact CA-CD1 3.45Å; Y16-F487 HydrophobicContact CD2-CD1 4.44Å; Y16-F487 AromaticContact CD2-CD2 3.92Å; Y16-F487 HydrophobicContact CD2-CD2 3.92Å; Y16-F487 HydrophobicContact CD2-CE1 4.21Å; Y16-F487 AromaticContact CD2-CE2 3.7Å; Y16-F487 HydrophobicContact CD2-CE2 3.7Å; Y16-F487 HydrophobicContact CD2-CG 4.29Å; Y16-F487 AromaticContact CD2-CZ 3.85Å; Y16-F487 HydrophobicContact CD2-CZ 3.85Å; Y16-F487 HydrophobicContact CE2-CE2 4.47Å; Y16-F487 HydrophobicContact CG-CD2 4.47Å; Q19-F487 HydrophobicContact CB-CE1 4.23Å; P478-F487 HydrophobicContact CB-CD2 4.49Å; P478-F487 HydrophobicContact CB-CE2 3.73Å; H479-F487 WeakPolarHBondContact O-CD2 3.37Å; W480-F487 VanDerWaalsContact CD1-N 3.3Å; W480-F487 HydrophobicContact CD2-CB 4.49Å; W480-F487 HydrophobicContact CD2-CD2 4.14Å; W480-F487 AromaticContact CE2-CD2 3.93Å; W480-F487 HydrophobicContact CE3-CD2 4.38Å; W480-F487 HydrophobicContact CG-CB 4.46Å; W480-F487 HydrophobicContact CH2-CD2 4.15Å; W480-F487 AromaticContact CZ2-CD2 3.94Å; W480-F487 HydrophobicContact CZ2-CD2 3.94Å; W480-F487 HydrophobicContact CZ3-CD2 4.38Å; F487-W489 HydrophobicContact CD1-CB 4.05Å; F487-W489 HydrophobicContact CE1-CB 3.85Å; F487-H506 PolarHBondContact O-NE2 3.43Å
488I93.2Very high90.8Very high6 Ų618.9 Ų18.93%0.03110%0.099CC..  trans-98.1109.6177.7-46.3178.5000108.1Y475 H479 C481 Q494Y475-I488 HydrophobicContact CE2-CD1 4.28Å; H479-I488 PolarHBondContact O-N 2.89Å; C481-I488 HydrophobicContact CB-CD1 4.36Å; C481-I488 HydrophobicContact CB-CG1 4.18Å; I488-Q494 HydrophobicContact CG2-CB 3.76Å; I488-Q494 WeakPolarHBondContact CG2-O 3.38Å
489W93Very high91.2Very high44 Ų4421.2 Ų21.217%0.16711%0.109CC..  trans-96.3159.7-167.374.398.8000113.8L15 Q19 V125 L133 F487 Q494 H506L15-W489 HydrophobicContact CD1-CE3 3.76Å; L15-W489 HydrophobicContact CD1-CZ3 3.84Å; Q19-W489 VanDerWaalsContact OE1-CA 3.23Å; Q19-W489 VanDerWaalsContact OE1-CB 3.3Å; V125-W489 HydrophobicContact CB-CG 4.32Å; V125-W489 HydrophobicContact CG1-CD2 3.82Å; V125-W489 HydrophobicContact CG1-CE3 4.47Å; V125-W489 HydrophobicContact CG1-CG 3.89Å; V125-W489 HydrophobicContact CG1-CZ2 4.35Å; V125-W489 HydrophobicContact CG2-CB 4.49Å; V125-W489 HydrophobicContact CG2-CG 4.22Å; L133-W489 HydrophobicContact CD2-CH2 3.36Å; L133-W489 HydrophobicContact CD2-CZ2 3.95Å; L133-W489 HydrophobicContact CD2-CZ3 3.7Å; F487-W489 HydrophobicContact CD1-CB 4.05Å; F487-W489 HydrophobicContact CE1-CB 3.85Å; W489-Q494 VanDerWaalsContact O-CB 3.26Å; W489-Q494 WeakPolarHBondContact O-CB 3.39Å; W489-Q494 WeakPolarHBondContact O-CG 3.41Å; W489-H506 AromaticContact CE3-CD2 3.8Å; W489-H506 AromaticContact CE3-NE2 3.83Å; W489-H506 AromaticContact CZ3-CD2 3.38Å; W489-H506 WeakPolarHBondContact CZ3-CD2 3.36Å; W489-H506 AromaticContact CZ3-NE2 3.61Å
490G92.5Very high91.3Very high8 Ų821.1 Ų21.18%0.08211%0.11CC..SBendtrans112174.2-175.400000113.5Q494G490-Q494 VanDerWaalsContact O-CG 3.29Å; G490-Q494 WeakPolarHBondContact O-CG 3.1Å; G490-Q494 PolarHBondContact O-NE2 3.18Å
491L91.8Very high91.2Very high19 Ų1920.6 Ų20.610%0.09911%0.108CC..SBendtrans-100.5-34.7179.2-56.3-176.9000112.3L114 A117 D118 I121 Q494 I743L114-L491 HydrophobicContact CD2-CD1 4.45Å; A117-L491 HydrophobicContact CB-CD1 3.69Å; D118-L491 HydrophobicContact CB-CB 4.38Å; D118-L491 HydrophobicContact CB-CD1 4.24Å; D118-L491 HydrophobicContact CB-CG 4.28Å; D118-L491 PolarHBondContact OD1-N 3.34Å; I121-L491 HydrophobicContact CD1-CD1 4.39Å; I121-L491 HydrophobicContact CD1-CD2 3.75Å; I121-L491 HydrophobicContact CD1-CG 3.94Å; L491-Q494 PolarHBondContact O-NE2 3.27Å; L491-Q494 VanDerWaalsContact O-NE2 3.1Å; L491-I743 HydrophobicContact CD2-CG2 4.13Å
492V90.7Very high91Very high35 Ų3521.2 Ų21.221%0.21211%0.114CC..SBendtrans-135.1145.2-175.5-177.20000109.7F109 Q494F109-V492 HydrophobicContact CD1-CB 4.39Å; F109-V492 HydrophobicContact CD1-CG2 3.83Å; F109-V492 HydrophobicContact CE1-CB 3.81Å; F109-V492 HydrophobicContact CE1-CG2 3.64Å; F109-V492 HydrophobicContact CZ-CB 4.39Å; V492-Q494 PolarHBondContact O-N 3.05Å
493A89.2Confident91.1Very high32 Ų3221.1 Ų21.126%0.26411%0.113SC..SBendtrans54.227.9173.100000115.5T107 I472 T474 G495T107-A493 HydrophobicContact CG2-CB 4.06Å; I472-A493 HydrophobicContact CG2-CB 3.6Å; T474-A493 PolarHBondContact OG1-N 3.48Å; A493-G495 PolarHBondContact O-N 2.83Å
494Q91.6Very high91.2Very high32 Ų3221.8 Ų21.815%0.1512%0.117CC..  trans-58.9-24.5-166.3-56.797.4-28.600114.7Y475 I488 W489 G490 L491 V492Y475-Q494 HydrophobicContact CD2-CB 4.28Å; I488-Q494 HydrophobicContact CG2-CB 3.76Å; I488-Q494 WeakPolarHBondContact CG2-O 3.38Å; W489-Q494 VanDerWaalsContact O-CB 3.26Å; W489-Q494 WeakPolarHBondContact O-CB 3.39Å; W489-Q494 WeakPolarHBondContact O-CG 3.41Å; G490-Q494 VanDerWaalsContact O-CG 3.29Å; G490-Q494 WeakPolarHBondContact O-CG 3.1Å; G490-Q494 PolarHBondContact O-NE2 3.18Å; L491-Q494 PolarHBondContact O-NE2 3.27Å; L491-Q494 VanDerWaalsContact O-NE2 3.1Å; V492-Q494 PolarHBondContact O-N 3.05Å
495G93.4Very high91.4Very high2 Ų221.8 Ų21.82%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-165.6-166.7-176.400000114.2H473 A493 A505H473-G495 PolarHBondContact N-O 2.89Å; A493-G495 PolarHBondContact O-N 2.83Å; G495-A505 CarbonylContact C-O 3.58Å; G495-A505 WeakPolarHBondContact CA-O 3.37Å
496M94.6Very high91.6Very high30 Ų3022.1 Ų22.115%0.14812%0.118CC..EExtended strand (participates in β ladder)trans-112133.4-174.9-55.7-61.7-74.600110.3F470 R471 I472 Y475 A505 K507 A510F470-M496 HydrophobicContact CB-CB 4.25Å; F470-M496 HydrophobicContact CB-CE 3.97Å; F470-M496 HydrophobicContact CD1-CB 3.88Å; F470-M496 HydrophobicContact CG-CB 4.3Å; R471-M496 CarbonylContact O-C 3.59Å; R471-M496 WeakPolarHBondContact O-CA 3.26Å; I472-M496 HydrophobicContact CB-SD 4.28Å; I472-M496 HydrophobicContact CG1-CE 4.19Å; I472-M496 HydrophobicContact CG1-SD 3.55Å; I472-M496 VanDerWaalsContact CG1-SD 3.55Å; Y475-M496 PolarHBondContact OH-O 3.24Å; Y475-M496 VanDerWaalsContact OH-O 3.11Å; M496-A505 PolarHBondContact N-O 3.48Å; M496-A505 PolarHBondContact O-N 3.06Å; M496-K507 HydrophobicContact CG-CB 4.45Å; M496-A510 HydrophobicContact CB-CB 3.93Å; M496-A510 HydrophobicContact CG-CB 3.89Å
497K94.2Very high91.7Very high65 Ų6526.1 Ų26.128%0.28314%0.135SC..EExtended strand (participates in β ladder)trans-118.4129.1172.8-168174.5-178.4173.60110.1R471 H473 I499 F503 Q504R471-K497 PolarHBondContact N-O 3.43Å; R471-K497 PolarHBondContact O-N 3.11Å; H473-K497 HydrophobicContact CB-CB 3.7Å; H473-K497 WeakPolarHBondContact CD2-CD 3.46Å; H473-K497 VanDerWaalsContact NE2-CD 3.33Å; H473-K497 WeakPolarHBondContact NE2-CD 3.44Å; H473-K497 PolarHBondContact NE2-NZ 3.03Å; K497-I499 PolarHBondContact O-N 2.7Å; K497-F503 CarbonylContact C-O 3.54Å; K497-F503 VanDerWaalsContact CA-O 3.32Å; K497-F503 WeakPolarHBondContact CA-O 3.36Å; K497-Q504 HydrophobicContact CG-CG 4.4Å
498C94.1Very high91.6Very high1 Ų132 Ų321%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-72.3120.1172.1-179.80000108.9H468 N469 F470 D500 C501 G502 F503H468-C498 HydrophobicContact CB-CB 4.18Å; N469-C498 PolarHBondContact N-SG 3.31Å; N469-C498 VanDerWaalsContact N-SG 3.38Å; N469-C498 WeakPolarHBondContact O-CA 3.36Å; F470-C498 HydrophobicContact CD1-CB 3.92Å; F470-C498 HydrophobicContact CE1-CB 3.8Å; F470-C498 HydrophobicContact CZ-CB 4.42Å; C498-D500 PolarHBondContact O-N 3.44Å; C498-C501 PolarHBondContact SG-SG 3.09Å; C498-G502 VanDerWaalsContact O-CA 3.24Å; C498-G502 WeakPolarHBondContact O-CA 3.31Å; C498-G502 PolarHBondContact O-N 3.11Å; C498-F503 HydrophobicContact CB-CB 3.92Å; C498-F503 PolarHBondContact N-O 2.93Å
499I91.9Very high91.6Very high79 Ų7931.8 Ų31.841%0.40516%0.156SC..THydrogen-bonded Turntrans-71.6-17.3-176.669.5173000112.9N469 R471 K497 K522N469-I499 HydrophobicContact CB-CG1 3.95Å; N469-I499 WeakPolarHBondContact ND2-CD1 3.39Å; N469-I499 PolarHBondContact O-N 3.4Å; R471-I499 HydrophobicContact CB-CG2 4.11Å; R471-I499 HydrophobicContact CG-CG2 3.63Å; K497-I499 PolarHBondContact O-N 2.7Å; I499-K522 WeakPolarHBondContact O-CD 3.24Å; I499-K522 WeakPolarHBondContact O-CE 3.33Å; I499-K522 PolarHBondContact O-NZ 3.35Å
500D90.1Very high91.5Very high37 Ų3730 Ų3020%0.19815%0.151CC..THydrogen-bonded Turntrans-88.3-53.8-175.4-69.9-1.4000112.4K466 C498 P519 K522K466-D500 WeakPolarHBondContact CE-OD2 3.38Å; K466-D500 IonicContact NZ-OD2 2.67Å; K466-D500 PolarHBondContact NZ-OD2 3.26Å; C498-D500 PolarHBondContact O-N 3.44Å; D500-P519 HydrophobicContact CB-CB 4.43Å; D500-P519 HydrophobicContact CB-CG 4.48Å; D500-K522 VanDerWaalsContact O-CB 3.32Å; D500-K522 WeakPolarHBondContact O-CB 3.35Å; D500-K522 WeakPolarHBondContact O-CD 3.47Å
501C88Confident91.3Very high0 Ų036.3 Ų36.30%018%0.183CC..THydrogen-bonded Turntrans-106.8-8.3-176.968.30000114.5F147 H468 C498 F503 C517 V518F147-C501 HydrophobicContact CZ-CB 4.29Å; H468-C501 PolarHBondContact ND1-SG 2.81Å; C498-C501 PolarHBondContact SG-SG 3.09Å; C501-F503 PolarHBondContact SG-N 2.87Å; C501-C517 VanDerWaalsContact SG-SG 3.69Å; C501-V518 WeakPolarHBondContact CB-O 3.29Å
502G88.2Confident91.1Very high13 Ų1339.1 Ų39.113%0.13420%0.198CC..  trans75.616.6-177.600000115.7C498 R526C498-G502 VanDerWaalsContact O-CA 3.24Å; C498-G502 WeakPolarHBondContact O-CA 3.31Å; C498-G502 PolarHBondContact O-N 3.11Å; G502-R526 PolarHBondContact O-NH2 3Å
503F89.9Confident91Very high0 Ų038.2 Ų38.20%019%0.192CC..  trans-57.8140.5171.7-163.5-88.4000111.6Y142 F147 F470 D482 K497 C498 C501 A505 V513Y142-F503 HydrophobicContact CD2-CE2 4.32Å; Y142-F503 HydrophobicContact CD2-CZ 4.19Å; Y142-F503 AromaticContact CE2-CE2 3.59Å; Y142-F503 HydrophobicContact CE2-CE2 3.59Å; Y142-F503 AromaticContact CE2-CZ 3.83Å; Y142-F503 HydrophobicContact CE2-CZ 3.83Å; F147-F503 HydrophobicContact CB-CD2 4.33Å; F147-F503 HydrophobicContact CB-CE2 4.03Å; F147-F503 AromaticContact CD1-CD2 3.58Å; F147-F503 HydrophobicContact CD1-CD2 3.58Å; F147-F503 AromaticContact CD1-CE2 3.71Å; F147-F503 HydrophobicContact CD1-CE2 3.71Å; F147-F503 AromaticContact CD2-CD2 3.48Å; F147-F503 HydrophobicContact CD2-CD2 3.48Å; F147-F503 VanDerWaalsContact CD2-CD2 3.48Å; F147-F503 HydrophobicContact CD2-CE2 4.05Å; F147-F503 HydrophobicContact CD2-CG 4.39Å; F147-F503 AromaticContact CE1-CD2 3.69Å; F147-F503 HydrophobicContact CE1-CD2 3.69Å; F147-F503 HydrophobicContact CE1-CE2 4.23Å; F147-F503 HydrophobicContact CE2-CB 3.99Å; F147-F503 AromaticContact CE2-CD2 3.59Å; F147-F503 HydrophobicContact CE2-CD2 3.59Å; F147-F503 HydrophobicContact CE2-CG 4.27Å; F147-F503 AromaticContact CG-CD2 3.5Å; F147-F503 HydrophobicContact CG-CD2 3.5Å; F147-F503 AromaticContact CG-CE2 3.63Å; F147-F503 HydrophobicContact CG-CE2 3.63Å; F147-F503 HydrophobicContact CZ-CB 4.24Å; F147-F503 AromaticContact CZ-CD2 3.71Å; F147-F503 HydrophobicContact CZ-CD2 3.71Å; F147-F503 HydrophobicContact CZ-CG 4.5Å; F470-F503 HydrophobicContact CE1-CB 4.22Å; F470-F503 AromaticContact CE1-CD1 3.83Å; F470-F503 HydrophobicContact CE1-CD1 3.83Å; F470-F503 HydrophobicContact CE1-CG 4.45Å; F470-F503 HydrophobicContact CZ-CB 4.39Å; F470-F503 AromaticContact CZ-CD1 3.67Å; F470-F503 HydrophobicContact CZ-CD1 3.67Å; F470-F503 HydrophobicContact CZ-CE1 4.42Å; F470-F503 HydrophobicContact CZ-CG 4.32Å; D482-F503 HydrophobicContact CB-CD1 4.17Å; D482-F503 HydrophobicContact CB-CD2 3.77Å; D482-F503 HydrophobicContact CB-CE1 3.83Å; D482-F503 HydrophobicContact CB-CE2 3.35Å; D482-F503 HydrophobicContact CB-CG 4.16Å; D482-F503 HydrophobicContact CB-CZ 3.41Å; D482-F503 VanDerWaalsContact CB-CZ 3.41Å; D482-F503 WeakPolarHBondContact O-CZ 3.26Å; K497-F503 CarbonylContact C-O 3.54Å; K497-F503 VanDerWaalsContact CA-O 3.32Å; K497-F503 WeakPolarHBondContact CA-O 3.36Å; C498-F503 HydrophobicContact CB-CB 3.92Å; C498-F503 PolarHBondContact N-O 2.93Å; C501-F503 PolarHBondContact SG-N 2.87Å; F503-A505 HydrophobicContact CD1-CB 4.26Å; F503-A505 HydrophobicContact CE1-CB 4.12Å; F503-V513 HydrophobicContact CD1-CG2 4.16Å; F503-V513 HydrophobicContact CE1-CG1 4.24Å; F503-V513 HydrophobicContact CE1-CG2 3.53Å; F503-V513 HydrophobicContact CZ-CG1 4.26Å; F503-V513 HydrophobicContact CZ-CG2 4.06Å
504Q91.3Very high90.9Very high28 Ų2839.4 Ų39.413%0.13120%0.197CC..EExtended strand (participates in β ladder)trans-121.6127.5-176.5-61.2165.3110.300111.3Y475 H479 C481 D482 K497Y475-Q504 HydrophobicContact CE1-CB 4.36Å; Y475-Q504 HydrophobicContact CE1-CG 3.97Å; H479-Q504 PolarHBondContact CE1-OE1 3.21Å; H479-Q504 PolarHBondContact ND1-OE1 3.36Å; C481-Q504 CarbonylContact C-O 3.45Å; C481-Q504 WeakPolarHBondContact CA-O 3.13Å; D482-Q504 PolarHBondContact N-O 3.47Å; D482-Q504 PolarHBondContact OD2-N 2.8Å; K497-Q504 HydrophobicContact CG-CG 4.4Å
505A92.6Very high90.6Very high0 Ų041.2 Ų41.20%021%0.213CC..EExtended strand (participates in β ladder)trans-143155.4-173.600000113.3F470 G495 M496 F503 C509 A510F470-A505 HydrophobicContact CE1-CB 4.37Å; G495-A505 CarbonylContact C-O 3.58Å; G495-A505 WeakPolarHBondContact CA-O 3.37Å; M496-A505 PolarHBondContact N-O 3.48Å; M496-A505 PolarHBondContact O-N 3.06Å; F503-A505 HydrophobicContact CD1-CB 4.26Å; F503-A505 HydrophobicContact CE1-CB 4.12Å; A505-C509 HydrophobicContact CB-CB 4.16Å; A505-A510 HydrophobicContact CB-CB 4.15Å
506H92.8Very high90.2Very high10 Ų1042.2 Ų42.25%0.04622%0.218CC..  trans-64.7156.6157.8-53.693000110C481 C484 H486 F487 W489 R508 C509 A510C481-H506 VanDerWaalsContact CB-CE1 3.46Å; C481-H506 WeakPolarHBondContact CB-CE1 3.14Å; C481-H506 WeakPolarHBondContact CB-ND1 3.4Å; C484-H506 PolarHBondContact SG-CE1 3.45Å; C484-H506 PolarHBondContact SG-ND1 3.35Å; H486-H506 PolarHBondContact O-CE1 2.97Å; F487-H506 PolarHBondContact O-NE2 3.43Å; W489-H506 AromaticContact CE3-CD2 3.8Å; W489-H506 AromaticContact CE3-NE2 3.83Å; W489-H506 AromaticContact CZ3-CD2 3.38Å; W489-H506 WeakPolarHBondContact CZ3-CD2 3.36Å; W489-H506 AromaticContact CZ3-NE2 3.61Å; H506-R508 VanDerWaalsContact C-N 3.33Å; H506-R508 PolarHBondContact O-N 3.24Å; H506-C509 HydrophobicContact CB-CB 4.17Å; H506-C509 PolarHBondContact O-N 3.5Å; H506-A510 PolarHBondContact O-N 3.39Å
507K91.7Very high89.8Confident99 Ų9941 Ų4143%0.4321%0.212SC..Hα-helixtrans-49.7-51176.2-167170177.3177.40111.7E106 S403 M496 C509 A510E106-K507 IonicContact OE2-NZ 2.75Å; E106-K507 PolarHBondContact OE2-NZ 2.91Å; S403-K507 PolarHBondContact OG-NZ 3.02Å; M496-K507 HydrophobicContact CG-CB 4.45Å; K507-C509 VanDerWaalsContact C-N 3.33Å; K507-C509 PolarHBondContact O-N 3.37Å; K507-A510 PolarHBondContact O-N 2.94Å
508R89.4Confident89.3Confident132 Ų13238.2 Ų38.250%0.49820%0.2SC..Hα-helixtrans-66.9-24.1176.9-56.7-177-169.5163.78.6114.7E126 H506E126-R508 IonicContact OE1-NH2 3.61Å; E126-R508 PolarHBondContact OE1-NH2 3.36Å; H506-R508 VanDerWaalsContact C-N 3.33Å; H506-R508 PolarHBondContact O-N 3.24Å
509C91.8Very high88.7Confident1 Ų140.4 Ų40.41%0.00722%0.215CC..Hα-helixtrans-84-28.9179.5-67.40000112.2Y483 A505 H506 K507 D511 L512 V513Y483-C509 HydrophobicContact CD1-CB 4.19Å; A505-C509 HydrophobicContact CB-CB 4.16Å; H506-C509 HydrophobicContact CB-CB 4.17Å; H506-C509 PolarHBondContact O-N 3.5Å; K507-C509 VanDerWaalsContact C-N 3.33Å; K507-C509 PolarHBondContact O-N 3.37Å; C509-D511 VanDerWaalsContact C-N 3.26Å; C509-D511 PolarHBondContact O-N 3.06Å; C509-L512 PolarHBondContact O-N 3.29Å; C509-V513 WeakPolarHBondContact O-CG2 3.5Å; C509-V513 PolarHBondContact O-N 2.83Å
510A91.5Very high87.9Confident8 Ų839.5 Ų39.57%0.06621%0.211CC..Hα-helixtrans-59.4-38.2-179.100000112.3F470 M496 A505 H506 K507 L512 V513F470-A510 HydrophobicContact CD1-CB 4.33Å; F470-A510 HydrophobicContact CD2-CB 3.86Å; F470-A510 HydrophobicContact CE1-CB 4.49Å; F470-A510 HydrophobicContact CE2-CB 4Å; F470-A510 HydrophobicContact CG-CB 4.04Å; F470-A510 HydrophobicContact CZ-CB 4.34Å; M496-A510 HydrophobicContact CB-CB 3.93Å; M496-A510 HydrophobicContact CG-CB 3.89Å; A505-A510 HydrophobicContact CB-CB 4.15Å; H506-A510 PolarHBondContact O-N 3.39Å; K507-A510 PolarHBondContact O-N 2.94Å; A510-L512 PolarHBondContact O-N 2.99Å; A510-V513 PolarHBondContact O-N 3.39Å
511D88.4Confident87.1Confident140 Ų14037.9 Ų37.975%0.74920%0.202SC*.THydrogen-bonded Turntrans-69.1-13.7178-51.6-43.1000113.3C509C509-D511 VanDerWaalsContact C-N 3.26Å; C509-D511 PolarHBondContact O-N 3.06Å
512L88Confident86.4Confident78 Ų7844.3 Ų44.341%0.40823%0.23SC..THydrogen-bonded Turntrans-105.7-0.9-179.3-56.8176.7000113.3Y483 C509 A510Y483-L512 HydrophobicContact CE1-CB 4.19Å; Y483-L512 HydrophobicContact CE1-CD1 4.45Å; Y483-L512 HydrophobicContact CE2-CB 4.25Å; Y483-L512 WeakPolarHBondContact CE2-O 3.21Å; C509-L512 PolarHBondContact O-N 3.29Å; A510-L512 PolarHBondContact O-N 2.99Å
513V88.1Confident85.4Confident15 Ų1551 Ų519%0.09126%0.257CS..SBendtrans-78.4129.7178.2-176.90000109.8Y142 F470 Y483 F503 C509 A510Y142-V513 HydrophobicContact CE2-CG1 4.2Å; F470-V513 HydrophobicContact CE2-CB 4.16Å; F470-V513 HydrophobicContact CE2-CG2 4.21Å; F470-V513 HydrophobicContact CZ-CB 4.26Å; F470-V513 HydrophobicContact CZ-CG1 4.45Å; F470-V513 HydrophobicContact CZ-CG2 3.97Å; Y483-V513 HydrophobicContact CD2-CG2 4.02Å; Y483-V513 HydrophobicContact CG-CG2 4.46Å; F503-V513 HydrophobicContact CD1-CG2 4.16Å; F503-V513 HydrophobicContact CE1-CG1 4.24Å; F503-V513 HydrophobicContact CE1-CG2 3.53Å; F503-V513 HydrophobicContact CZ-CG1 4.26Å; F503-V513 HydrophobicContact CZ-CG2 4.06Å; C509-V513 WeakPolarHBondContact O-CG2 3.5Å; C509-V513 PolarHBondContact O-N 2.83Å; A510-V513 PolarHBondContact O-N 3.39Å
514P86.8Confident84.2Confident58 Ų5852.6 Ų52.638%0.37727%0.265SS..  trans-55147.9175.9-27.736.3000113.6Y142 H468 D516Y142-P514 HydrophobicContact CD1-CG 3.9Å; Y142-P514 HydrophobicContact CE1-CG 3.93Å; H468-P514 PolarHBondContact CD2-O 3.39Å; H468-P514 PolarHBondContact NE2-O 2.83Å; P514-D516 HydrophobicContact CB-CB 4.29Å; P514-D516 PolarHBondContact O-N 3.1Å
515C86.6Confident83.1Confident70 Ų7056.6 Ų56.647%0.47328%0.283SS..SBendtrans-74.461.6180-69.50000112.7V465 K466V465-C515 CarbonylContact C-O 3.6Å; V465-C515 VanDerWaalsContact C-O 3.31Å; V465-C515 VanDerWaalsContact CA-O 3.31Å; V465-C515 WeakPolarHBondContact CA-O 3.24Å; V465-C515 HydrophobicContact CG1-CB 4.05Å; K466-C515 CarbonylContact C-O 3.4Å; K466-C515 PolarHBondContact N-O 3.43Å; K466-C515 VanDerWaalsContact N-O 3.15Å; K466-C515 CarbonylContact O-C 3.52Å
516D83.3Confident82.4Confident22 Ų2258.9 Ų58.912%0.11829%0.291CS..  trans-12713-162.276-2.4000114.6Y142 R151 K466 H468 P514 V518Y142-D516 WeakPolarHBondContact CE1-OD2 3.49Å; Y142-D516 PolarHBondContact OH-OD1 3.11Å; Y142-D516 PolarHBondContact OH-OD2 3.36Å; R151-D516 IonicContact CZ-OD2 3.71Å; R151-D516 IonicContact NE-OD2 2.77Å; R151-D516 PolarHBondContact NH1-O 3.11Å; R151-D516 IonicContact NH1-OD1 2.7Å; R151-D516 PolarHBondContact NH1-OD1 3.48Å; R151-D516 VanDerWaalsContact NH1-OD1 3.07Å; R151-D516 IonicContact NH1-OD2 3.17Å; R151-D516 PolarHBondContact NH1-OD2 3.21Å; R151-D516 PolarHBondContact NH2-O 3.3Å; K466-D516 CarbonylContact O-C 3.52Å; K466-D516 PolarHBondContact O-N 2.9Å; K466-D516 VanDerWaalsContact O-N 3.11Å; H468-D516 IonicContact CD2-OD1 3.58Å; H468-D516 IonicContact CE1-OD1 2.67Å; H468-D516 IonicContact NE2-OD1 2.84Å; H468-D516 PolarHBondContact NE2-OD1 2.86Å; P514-D516 HydrophobicContact CB-CB 4.29Å; P514-D516 PolarHBondContact O-N 3.1Å; D516-V518 PolarHBondContact O-N 2.89Å
517C86.8Confident82.2Confident5 Ų558.5 Ų58.53%0.03429%0.289CS..  trans-54111.5-167.1175.30000115K466 H468 C501 P519K466-C517 HydrophobicContact CB-CB 4.32Å; K466-C517 HydrophobicContact CD-CB 4.4Å; K466-C517 HydrophobicContact CG-CB 4.14Å; K466-C517 VanDerWaalsContact O-CB 3.27Å; K466-C517 WeakPolarHBondContact O-CB 3.38Å; K466-C517 PolarHBondContact O-N 3.31Å; H468-C517 HydrophobicContact CB-CB 4.4Å; C501-C517 VanDerWaalsContact SG-SG 3.69Å; C517-P519 WeakPolarHBondContact O-CD 3.43Å
518V83.8Confident82Confident6 Ų654.1 Ų54.14%0.03627%0.271CS..  trans-95.1107.5170.2-176.80000109.9R151 T154 C501 D516 D520 I521R151-V518 HydrophobicContact CG-CG2 4.27Å; T154-V518 HydrophobicContact CG2-CG1 4.38Å; C501-V518 WeakPolarHBondContact CB-O 3.29Å; D516-V518 PolarHBondContact O-N 2.89Å; V518-D520 VanDerWaalsContact C-N 3.31Å; V518-D520 HydrophobicContact CG1-CB 4.5Å; V518-D520 PolarHBondContact O-N 3.29Å; V518-I521 HydrophobicContact CB-CD1 3.85Å; V518-I521 HydrophobicContact CB-CG1 4.15Å; V518-I521 HydrophobicContact CG1-CD1 4.43Å; V518-I521 HydrophobicContact CG1-CG1 4.23Å
519P81.7Confident81.7Confident47 Ų4748.4 Ų48.431%0.30525%0.253SS..G310 helixtrans-65.5-30.4-173.7-22.736000114K466 D500 C517 I521 K522K466-P519 HydrophobicContact CD-CG 4.27Å; D500-P519 HydrophobicContact CB-CB 4.43Å; D500-P519 HydrophobicContact CB-CG 4.48Å; C517-P519 WeakPolarHBondContact O-CD 3.43Å; P519-I521 PolarHBondContact O-N 2.85Å; P519-I521 VanDerWaalsContact O-N 3.09Å; P519-K522 WeakPolarHBondContact O-CB 3.43Å; P519-K522 PolarHBondContact O-N 3.39Å
520D74.4Confident81.4Confident60 Ų6050.3 Ų50.332%0.32126%0.264SS..G310 helixtrans-63.8-20.1-174.5-53.2-53000113.6Q158 V518 K522 Q523Q158-D520 PolarHBondContact NE2-OD2 3Å; V518-D520 VanDerWaalsContact C-N 3.31Å; V518-D520 HydrophobicContact CG1-CB 4.5Å; V518-D520 PolarHBondContact O-N 3.29Å; D520-K522 PolarHBondContact O-N 3.38Å; D520-K522 VanDerWaalsContact O-N 3.16Å; D520-Q523 VanDerWaalsContact O-CB 3.32Å; D520-Q523 WeakPolarHBondContact O-CB 3.34Å; D520-Q523 PolarHBondContact O-N 3.44Å; D520-Q523 PolarHBondContact OD1-NE2 3.25Å
521I75Confident81.3Confident3 Ų350.4 Ų50.42%0.01526%0.264CS..G310 helixtrans-57.2-28170.6-60.5172.8000111.3F147 V150 R151 T154 V518 P519 Q523 M524F147-I521 HydrophobicContact CE1-CD1 3.76Å; F147-I521 HydrophobicContact CE2-CD1 4.49Å; F147-I521 HydrophobicContact CE2-CG2 3.9Å; F147-I521 HydrophobicContact CZ-CD1 3.63Å; F147-I521 HydrophobicContact CZ-CG2 4.04Å; V150-I521 HydrophobicContact CG1-CG2 4.31Å; R151-I521 HydrophobicContact CB-CD1 3.57Å; R151-I521 HydrophobicContact CG-CD1 3.82Å; T154-I521 HydrophobicContact CG2-CG1 4.35Å; V518-I521 HydrophobicContact CB-CD1 3.85Å; V518-I521 HydrophobicContact CB-CG1 4.15Å; V518-I521 HydrophobicContact CG1-CD1 4.43Å; V518-I521 HydrophobicContact CG1-CG1 4.23Å; P519-I521 PolarHBondContact O-N 2.85Å; P519-I521 VanDerWaalsContact O-N 3.09Å; I521-Q523 PolarHBondContact O-N 2.99Å; I521-M524 WeakPolarHBondContact O-CB 3.23Å; I521-M524 PolarHBondContact O-N 3.06Å; I521-M524 VanDerWaalsContact O-N 3.13Å
522K73.2Confident81.5Confident135 Ų13543.8 Ų43.859%0.58723%0.228SC*.G310 helixtrans-67.3-19.2175.4-174.6177.1168.8-171.50113.3I499 D500 P519 D520I499-K522 WeakPolarHBondContact O-CD 3.24Å; I499-K522 WeakPolarHBondContact O-CE 3.33Å; I499-K522 PolarHBondContact O-NZ 3.35Å; D500-K522 VanDerWaalsContact O-CB 3.32Å; D500-K522 WeakPolarHBondContact O-CB 3.35Å; D500-K522 WeakPolarHBondContact O-CD 3.47Å; P519-K522 WeakPolarHBondContact O-CB 3.43Å; P519-K522 PolarHBondContact O-N 3.39Å; D520-K522 PolarHBondContact O-N 3.38Å; D520-K522 VanDerWaalsContact O-N 3.16Å
523Q66.5Low81.6Confident153 Ų15342 Ų4272%0.71522%0.22SC*.G310 helixtrans-81.6-19174.6-51.9-176.128.300112.1D520 I521D520-Q523 VanDerWaalsContact O-CB 3.32Å; D520-Q523 WeakPolarHBondContact O-CB 3.34Å; D520-Q523 PolarHBondContact O-N 3.44Å; D520-Q523 PolarHBondContact OD1-NE2 3.25Å; I521-Q523 PolarHBondContact O-N 2.99Å
524M64Low81.6Confident34 Ų3442.5 Ų42.517%0.16722%0.222CC..SBendtrans-76.6124.1-179.3-67.8-168.7173.300111.8V150 T154 I521 R526 D583 K584V150-M524 HydrophobicContact CG1-SD 3.59Å; V150-M524 VanDerWaalsContact CG1-SD 3.59Å; T154-M524 HydrophobicContact CG2-CE 3.86Å; T154-M524 WeakPolarHBondContact OG1-CE 3.27Å; I521-M524 WeakPolarHBondContact O-CB 3.23Å; I521-M524 PolarHBondContact O-N 3.06Å; I521-M524 VanDerWaalsContact O-N 3.13Å; M524-R526 VanDerWaalsContact C-N 3.28Å; M524-R526 PolarHBondContact O-N 2.97Å; M524-D583 WeakPolarHBondContact CB-O 3.47Å; M524-K584 HydrophobicContact CE-CG 4.05Å
525K69.6Low81.8Confident113 Ų11340 Ų4049%0.49121%0.206SC..  trans-76.378.2171.7-64170.2-178.1168.90108.8V527 D583 D585K525-V527 WeakPolarHBondContact O-CG2 3.28Å; K525-V527 PolarHBondContact O-N 3.46Å; K525-D583 CarbonylContact C-O 3.59Å; K525-D583 PolarHBondContact N-O 3.46Å; K525-D585 IonicContact NZ-OD1 3.83Å; K525-D585 IonicContact NZ-OD2 2.88Å; K525-D585 PolarHBondContact NZ-OD2 2.98Å
526R78Confident82.1Confident48 Ų4837.1 Ų37.118%0.18119%0.187CC..  trans-50.2119.4177-58.3-168.8-153.4167.313.3109.7F147 D482 G502 M524 V530F147-R526 VanDerWaalsContact CD2-NH2 3.31Å; D482-R526 VanDerWaalsContact CG-NH1 3.34Å; D482-R526 IonicContact OD1-NH1 3.75Å; D482-R526 PolarHBondContact OD1-NH1 2.93Å; D482-R526 IonicContact OD2-CZ 3.98Å; D482-R526 IonicContact OD2-NH1 3.73Å; D482-R526 PolarHBondContact OD2-NH1 2.88Å; D482-R526 IonicContact OD2-NH2 2.82Å; D482-R526 PolarHBondContact OD2-NH2 2.67Å; G502-R526 PolarHBondContact O-NH2 3Å; M524-R526 VanDerWaalsContact C-N 3.28Å; M524-R526 PolarHBondContact O-N 2.97Å; R526-V530 HydrophobicContact CB-CG2 3.78Å; R526-V530 VanDerWaalsContact O-CG2 3.31Å; R526-V530 WeakPolarHBondContact O-CG2 3.09Å
527V87.1Confident82.4Confident1 Ų143.7 Ų43.71%0.00621%0.211CC..  trans-98.9-42.1174.5175.30000108.7K525 L535 L546 F582 D583 P586 F609K525-V527 WeakPolarHBondContact O-CG2 3.28Å; K525-V527 PolarHBondContact O-N 3.46Å; V527-L535 HydrophobicContact CG1-CD2 4.15Å; V527-L546 HydrophobicContact CG1-CB 4.31Å; V527-L546 HydrophobicContact CG1-CD1 4.11Å; V527-F582 VanDerWaalsContact CG2-O 3.32Å; V527-F582 WeakPolarHBondContact CG2-O 3.26Å; V527-D583 PolarHBondContact N-OD1 3.48Å; V527-P586 HydrophobicContact CG2-CB 4.02Å; V527-P586 HydrophobicContact CG2-CG 4.1Å; V527-F609 HydrophobicContact CG1-CD2 4.09Å; V527-F609 HydrophobicContact CG1-CE2 3.79Å
528F88.4Confident82.4Confident8 Ų847.7 Ų47.74%0.03524%0.244CC..THydrogen-bonded Turntrans-83.2141.8-180-71.9-103.2000111.7V530 L546 R579 F582 D583 L605 F609F528-V530 PolarHBondContact O-N 3.42Å; F528-L546 HydrophobicContact CD2-CD1 4.4Å; F528-L546 HydrophobicContact CE1-CD1 4.48Å; F528-L546 HydrophobicContact CE2-CD1 3.29Å; F528-L546 HydrophobicContact CZ-CD1 3.35Å; F528-R579 HydrophobicContact CB-CG 4.26Å; F528-R579 HydrophobicContact CD1-CG 3.74Å; F528-R579 HydrophobicContact CD2-CG 3.39Å; F528-R579 HydrophobicContact CE1-CG 3.82Å; F528-R579 HydrophobicContact CE2-CB 4.2Å; F528-R579 HydrophobicContact CE2-CG 3.51Å; F528-R579 HydrophobicContact CG-CG 3.52Å; F528-R579 HydrophobicContact CZ-CB 4.26Å; F528-R579 HydrophobicContact CZ-CG 3.72Å; F528-F582 HydrophobicContact CE2-CB 4.09Å; F528-D583 PolarHBondContact N-OD1 3.14Å; F528-L605 HydrophobicContact CE1-CD1 4.31Å; F528-L605 HydrophobicContact CZ-CD1 3.64Å; F528-L605 HydrophobicContact CZ-CG 4.18Å; F528-F609 HydrophobicContact CD1-CB 4.25Å; F528-F609 HydrophobicContact CD1-CD2 4.38Å; F528-F609 VanDerWaalsContact CE1-CA 3.47Å; F528-F609 HydrophobicContact CE1-CB 3.63Å; F528-F609 HydrophobicContact CE1-CD2 4.36Å; F528-F609 HydrophobicContact CZ-CB 4Å; F528-F609 HydrophobicContact CZ-CD2 4.5Å
529G83.2Confident82.7Confident12 Ų1248.9 Ų48.912%0.12425%0.249CC..THydrogen-bonded Turntrans764.3179.400000115.5W11 Q612 P614W11-G529 WeakPolarHBondContact CZ2-O 3.39Å; G529-Q612 WeakPolarHBondContact CA-O 3.13Å; G529-P614 WeakPolarHBondContact O-CG 3.44Å
530V85.2Confident83.2Confident40 Ų4052.8 Ų52.824%0.24227%0.267CS..SBendtrans-95.2148.5178.5-177.40000110.4R526 F528 L532 N534 L535 P614R526-V530 HydrophobicContact CB-CG2 3.78Å; R526-V530 VanDerWaalsContact O-CG2 3.31Å; R526-V530 WeakPolarHBondContact O-CG2 3.09Å; F528-V530 PolarHBondContact O-N 3.42Å; V530-L532 PolarHBondContact O-N 2.85Å; V530-N534 HydrophobicContact CG1-CB 4.48Å; V530-L535 HydrophobicContact CG1-CB 4.26Å; V530-P614 WeakPolarHBondContact O-CD 3.27Å
531D88.2Confident84Confident11 Ų1153.3 Ų53.36%0.05927%0.266CS..  trans-58.1133.7170.4169.276.6000111.2T533 N534 L535D531-T533 VanDerWaalsContact C-N 3.3Å; D531-T533 PolarHBondContact O-N 3.36Å; D531-T533 WeakPolarHBondContact OD2-CA 3.43Å; D531-T533 WeakPolarHBondContact OD2-CB 3.41Å; D531-T533 PolarHBondContact OD2-N 2.85Å; D531-N534 HydrophobicContact CB-CB 4.13Å; D531-N534 PolarHBondContact O-N 2.88Å; D531-N534 PolarHBondContact OD2-N 3.33Å; D531-L535 WeakPolarHBondContact O-CB 3.24Å; D531-L535 PolarHBondContact O-N 3.27Å
532L92.9Very high84.8Confident0 Ų056.6 Ų56.60%029%0.287CS..Hα-helixtrans-63.8-34-17318060.3000112.8V530 A536 P544 F609 L613 L617 A654 H655V530-L532 PolarHBondContact O-N 2.85Å; L532-A536 VanDerWaalsContact O-CB 3.24Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 2.95Å; L532-P544 HydrophobicContact CD1-CG 3.5Å; L532-F609 HydrophobicContact CD1-CZ 4.4Å; L532-L613 HydrophobicContact CB-CD1 4.32Å; L532-L613 HydrophobicContact CB-CD2 4.2Å; L532-L613 HydrophobicContact CD2-CD1 4.16Å; L532-L617 HydrophobicContact CD2-CD1 3.47Å; L532-L617 VanDerWaalsContact CD2-CD1 3.47Å; L532-A654 HydrophobicContact CG-CB 4.32Å; L532-H655 HydrophobicContact CD2-CB 4.47Å
533T91.4Very high85.9Confident40 Ų4050.6 Ų50.625%0.24526%0.262CS..Hα-helixtrans-74.9-36.8179-53.60000111.1D531 R537 A654D531-T533 VanDerWaalsContact C-N 3.3Å; D531-T533 PolarHBondContact O-N 3.36Å; D531-T533 WeakPolarHBondContact OD2-CA 3.43Å; D531-T533 WeakPolarHBondContact OD2-CB 3.41Å; D531-T533 PolarHBondContact OD2-N 2.85Å; T533-R537 WeakPolarHBondContact O-CB 3.43Å; T533-R537 PolarHBondContact O-N 2.77Å; T533-R537 VanDerWaalsContact O-N 3.14Å; T533-A654 HydrophobicContact CG2-CB 4.5Å
534N87.9Confident87.3Confident26 Ų2643.3 Ų43.314%0.13923%0.228CC..Hα-helixtrans-68.6-40172.9-75.5-11.7000112.2R476 H479 V530 D531 R537 A538R476-N534 PolarHBondContact O-ND2 3.38Å; H479-N534 PolarHBondContact NE2-ND2 2.88Å; V530-N534 HydrophobicContact CG1-CB 4.48Å; D531-N534 HydrophobicContact CB-CB 4.13Å; D531-N534 PolarHBondContact O-N 2.88Å; D531-N534 PolarHBondContact OD2-N 3.33Å; N534-R537 PolarHBondContact O-N 3.15Å; N534-R537 PolarHBondContact OD1-NH1 3.45Å; N534-A538 WeakPolarHBondContact O-CB 3.33Å; N534-A538 PolarHBondContact O-N 3.34Å
535L91.3Very high88.8Confident6 Ų642 Ų423%0.03122%0.221CC..Hα-helixtrans-64-50.4174.8178.462.6000111.8V527 V530 D531 R537 A538 E539 P544 F609V527-L535 HydrophobicContact CG1-CD2 4.15Å; V530-L535 HydrophobicContact CG1-CB 4.26Å; D531-L535 WeakPolarHBondContact O-CB 3.24Å; D531-L535 PolarHBondContact O-N 3.27Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.05Å; L535-A538 PolarHBondContact O-N 3.08Å; L535-E539 HydrophobicContact CD1-CG 4.16Å; L535-E539 PolarHBondContact O-N 3.47Å; L535-P544 HydrophobicContact CD2-CB 3.95Å; L535-P544 HydrophobicContact CD2-CG 3.83Å; L535-P544 HydrophobicContact CG-CB 4.45Å; L535-P544 HydrophobicContact CG-CG 4.3Å; L535-F609 HydrophobicContact CD2-CE2 3.73Å; L535-F609 HydrophobicContact CD2-CZ 3.73Å
536A91.8Very high90.1Very high10 Ų1036.6 Ų36.68%0.08320%0.198CC..Hα-helixtrans-54.8-41.6176.100000112.2L532 N540 K541 A654L532-A536 VanDerWaalsContact O-CB 3.24Å; L532-A536 WeakPolarHBondContact O-CB 3.41Å; L532-A536 PolarHBondContact O-N 2.95Å; A536-N540 PolarHBondContact O-N 2.95Å; A536-K541 CarbonylContact C-O 3.6Å; A536-K541 WeakPolarHBondContact CA-O 3.35Å; A536-K541 VanDerWaalsContact CB-O 3.26Å; A536-K541 WeakPolarHBondContact CB-O 3.48Å; A536-K541 PolarHBondContact O-N 3.23Å; A536-K541 VanDerWaalsContact O-N 3.08Å; A536-A654 HydrophobicContact CB-CB 3.67Å
537R89.4Confident91Very high160 Ų16034.3 Ų34.360%0.60419%0.189SC*.Hα-helixtrans-67.6-37175.6-161.2-173.6-54.9104-0.8112.7T533 N534 L535 N540T533-R537 WeakPolarHBondContact O-CB 3.43Å; T533-R537 PolarHBondContact O-N 2.77Å; T533-R537 VanDerWaalsContact O-N 3.14Å; N534-R537 PolarHBondContact O-N 3.15Å; N534-R537 PolarHBondContact OD1-NH1 3.45Å; L535-R537 VanDerWaalsContact C-N 3.26Å; L535-R537 PolarHBondContact O-N 3.05Å; R537-N540 PolarHBondContact O-N 2.87Å
538A87.6Confident91.5Very high88 Ų8836.5 Ų36.573%0.72720%0.2SC*.Hα-helixtrans-72.4-36.5178.900000113N534 L535 N540N534-A538 WeakPolarHBondContact O-CB 3.33Å; N534-A538 PolarHBondContact O-N 3.34Å; L535-A538 PolarHBondContact O-N 3.08Å; A538-N540 VanDerWaalsContact C-N 3.31Å
539E90.4Very high91.9Very high31 Ų3138.2 Ų38.215%0.14521%0.208CC..Hα-helixtrans-80.5-10.2173.8-66.6-171.9176.300113.4L535 K541 P544 T545L535-E539 HydrophobicContact CD1-CG 4.16Å; L535-E539 PolarHBondContact O-N 3.47Å; E539-K541 HydrophobicContact CB-CB 4.29Å; E539-K541 HydrophobicContact CB-CD 4.3Å; E539-K541 HydrophobicContact CB-CG 4.48Å; E539-K541 PolarHBondContact O-N 3.42Å; E539-P544 WeakPolarHBondContact OE2-CA 3.34Å; E539-T545 PolarHBondContact OE2-N 3.32Å; E539-T545 PolarHBondContact OE2-OG1 3.35Å
540N91.8Very high92.6Very high129 Ų12937.7 Ų37.769%0.6920%0.202SC*.THydrogen-bonded Turntrans55.737.5-172.4-166.424.5000112.8A536 R537 A538A536-N540 PolarHBondContact O-N 2.95Å; R537-N540 PolarHBondContact O-N 2.87Å; A538-N540 VanDerWaalsContact C-N 3.31Å
541K92.2Very high93.2Very high71 Ų7135.8 Ų35.831%0.30919%0.191SC..SBendtrans-133.8144.3-175.6-71.7170.1-179.5173.10109.8A536 E539 V543 T545 E587A536-K541 CarbonylContact C-O 3.6Å; A536-K541 WeakPolarHBondContact CA-O 3.35Å; A536-K541 VanDerWaalsContact CB-O 3.26Å; A536-K541 WeakPolarHBondContact CB-O 3.48Å; A536-K541 PolarHBondContact O-N 3.23Å; A536-K541 VanDerWaalsContact O-N 3.08Å; E539-K541 HydrophobicContact CB-CB 4.29Å; E539-K541 HydrophobicContact CB-CD 4.3Å; E539-K541 HydrophobicContact CB-CG 4.48Å; E539-K541 PolarHBondContact O-N 3.42Å; K541-V543 VanDerWaalsContact C-N 3.33Å; K541-T545 WeakPolarHBondContact CD-OG1 3.45Å; K541-T545 PolarHBondContact NZ-OG1 2.79Å; K541-E587 IonicContact NZ-OE1 3.57Å; K541-E587 PolarHBondContact NZ-OE1 3.47Å; K541-E587 IonicContact NZ-OE2 2.76Å; K541-E587 PolarHBondContact NZ-OE2 2.82Å
542T91.9Very high93.6Very high73 Ų7340.4 Ų40.445%0.44821%0.212SC..SBendtrans-75.7-22.1178.249.60000113.6
543V95.3Very high93.8Very high9 Ų941.3 Ų41.36%0.05522%0.216CC..SBendtrans-131130.4176.6-1780000107.5K541 L547 I548 E657 Y661K541-V543 VanDerWaalsContact C-N 3.33Å; V543-L547 HydrophobicContact CG1-CB 4.03Å; V543-L547 HydrophobicContact CG1-CD1 4.1Å; V543-I548 HydrophobicContact CB-CD1 4.31Å; V543-I548 HydrophobicContact CB-CG1 4.36Å; V543-I548 HydrophobicContact CG1-CG1 4.1Å; V543-I548 WeakPolarHBondContact O-CD1 3.33Å; V543-E657 HydrophobicContact CG2-CB 3.95Å; V543-Y661 HydrophobicContact CG1-CD1 3.86Å; V543-Y661 HydrophobicContact CG1-CG 4.15Å
544P95.9Very high94.1Very high0 Ų039.4 Ų39.40%021%0.205CC..  trans-59.7143.8-177.7-27.935.2000114.5L532 L535 E539 L546 L547 I548 F609 S658L532-P544 HydrophobicContact CD1-CG 3.5Å; L535-P544 HydrophobicContact CD2-CB 3.95Å; L535-P544 HydrophobicContact CD2-CG 3.83Å; L535-P544 HydrophobicContact CG-CB 4.45Å; L535-P544 HydrophobicContact CG-CG 4.3Å; E539-P544 WeakPolarHBondContact OE2-CA 3.34Å; P544-L546 PolarHBondContact O-N 3.09Å; P544-L546 VanDerWaalsContact O-N 3.11Å; P544-L547 PolarHBondContact O-N 2.66Å; P544-I548 PolarHBondContact O-N 3.36Å; P544-F609 HydrophobicContact CB-CZ 4.18Å; P544-F609 HydrophobicContact CG-CE1 4.48Å; P544-F609 HydrophobicContact CG-CZ 4.03Å; P544-S658 WeakPolarHBondContact CD-OG 3.28Å
545T95.9Very high94.5Very high5 Ų540.7 Ų40.73%0.03121%0.209CC..Hα-helixtrans-52.3-35.1178.9-71.60000112.8E539 K541 I548 K549 P586 E587E539-T545 PolarHBondContact OE2-N 3.32Å; E539-T545 PolarHBondContact OE2-OG1 3.35Å; K541-T545 WeakPolarHBondContact CD-OG1 3.45Å; K541-T545 PolarHBondContact NZ-OG1 2.79Å; T545-I548 PolarHBondContact O-N 2.86Å; T545-K549 HydrophobicContact CG2-CD 3.93Å; T545-K549 HydrophobicContact CG2-CG 4.11Å; T545-K549 WeakPolarHBondContact O-CB 3.43Å; T545-K549 PolarHBondContact O-N 3.49Å; T545-P586 HydrophobicContact CG2-CB 4.1Å; T545-P586 VanDerWaalsContact CG2-O 3.31Å; T545-P586 WeakPolarHBondContact CG2-O 3.35Å; T545-E587 WeakPolarHBondContact CB-OE1 3.45Å; T545-E587 WeakPolarHBondContact CG2-OE1 3.42Å; T545-E587 PolarHBondContact OG1-OE1 2.93Å
546L96.6Very high94.7Very high0 Ų046.9 Ų46.90%023%0.233CC..Hα-helixtrans-59.7-48176.8-174.6151.3000112.4V527 F528 P544 C550 F582 F609V527-L546 HydrophobicContact CG1-CB 4.31Å; V527-L546 HydrophobicContact CG1-CD1 4.11Å; F528-L546 HydrophobicContact CD2-CD1 4.4Å; F528-L546 HydrophobicContact CE1-CD1 4.48Å; F528-L546 HydrophobicContact CE2-CD1 3.29Å; F528-L546 HydrophobicContact CZ-CD1 3.35Å; P544-L546 PolarHBondContact O-N 3.09Å; P544-L546 VanDerWaalsContact O-N 3.11Å; L546-C550 VanDerWaalsContact O-CB 3.31Å; L546-C550 WeakPolarHBondContact O-CB 3.39Å; L546-C550 PolarHBondContact O-N 3Å; L546-C550 PolarHBondContact O-SG 3.38Å; L546-F582 HydrophobicContact CB-CD1 3.95Å; L546-F582 HydrophobicContact CB-CE1 3.85Å; L546-F582 HydrophobicContact CB-CZ 4.38Å; L546-F582 HydrophobicContact CD1-CB 4.14Å; L546-F582 HydrophobicContact CD1-CD1 3.95Å; L546-F582 HydrophobicContact CD1-CD2 3.93Å; L546-F582 HydrophobicContact CD1-CE1 4.35Å; L546-F582 HydrophobicContact CD1-CE2 4.32Å; L546-F582 HydrophobicContact CD1-CG 3.75Å; L546-F582 HydrophobicContact CG-CD1 4.1Å; L546-F582 HydrophobicContact CG-CD2 4.37Å; L546-F582 HydrophobicContact CG-CE1 4.01Å; L546-F582 HydrophobicContact CG-CE2 4.28Å; L546-F582 HydrophobicContact CG-CG 4.3Å; L546-F582 HydrophobicContact CG-CZ 4.1Å; L546-F609 HydrophobicContact CD1-CB 4.4Å; L546-F609 HydrophobicContact CD1-CD2 4.29Å; L546-F609 HydrophobicContact CD1-CG 4.42Å; L546-F609 HydrophobicContact CD2-CB 3.88Å; L546-F609 HydrophobicContact CD2-CD1 4.16Å; L546-F609 HydrophobicContact CD2-CG 3.93Å
547L97.4Very high94.8Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-64-44.6178.9-68.5-178.9000110.4V543 P544 I551 I606 F609 L610V543-L547 HydrophobicContact CG1-CB 4.03Å; V543-L547 HydrophobicContact CG1-CD1 4.1Å; P544-L547 PolarHBondContact O-N 2.66Å; L547-I551 HydrophobicContact CB-CD1 4.46Å; L547-I551 VanDerWaalsContact O-CB 3.23Å; L547-I551 WeakPolarHBondContact O-CB 3.23Å; L547-I551 WeakPolarHBondContact O-CD1 3.45Å; L547-I551 VanDerWaalsContact O-CG1 3.23Å; L547-I551 WeakPolarHBondContact O-CG1 3.27Å; L547-I551 PolarHBondContact O-N 3.45Å; L547-I606 HydrophobicContact CD2-CG2 3.9Å; L547-F609 HydrophobicContact CD1-CE1 4.12Å; L547-F609 HydrophobicContact CD2-CD1 3.88Å; L547-F609 HydrophobicContact CD2-CE1 4.16Å; L547-F609 HydrophobicContact CG-CD1 4.15Å; L547-F609 HydrophobicContact CG-CE1 3.93Å; L547-L610 HydrophobicContact CD1-CD2 4.4Å; L547-L610 HydrophobicContact CD2-CD2 4.32Å; L547-L610 HydrophobicContact CD2-CG 4.45Å
548I97.2Very high95Very high47 Ų4745.1 Ų45.124%0.24123%0.231CC..Hα-helixtrans-59.3-57.5179.2-61.8172000110.5V543 P544 T545 C550 I551 Q552 Y661V543-I548 HydrophobicContact CB-CD1 4.31Å; V543-I548 HydrophobicContact CB-CG1 4.36Å; V543-I548 HydrophobicContact CG1-CG1 4.1Å; V543-I548 WeakPolarHBondContact O-CD1 3.33Å; P544-I548 PolarHBondContact O-N 3.36Å; T545-I548 PolarHBondContact O-N 2.86Å; I548-C550 PolarHBondContact O-N 3.04Å; I548-I551 PolarHBondContact O-N 3Å; I548-Q552 HydrophobicContact CG2-CG 4.43Å; I548-Q552 VanDerWaalsContact O-CB 3.29Å; I548-Q552 WeakPolarHBondContact O-CB 3.43Å; I548-Q552 VanDerWaalsContact O-CG 3.23Å; I548-Q552 WeakPolarHBondContact O-CG 3.43Å; I548-Q552 PolarHBondContact O-N 2.99Å; I548-Y661 HydrophobicContact CG1-CE1 4.21Å
549K96.8Very high95.3Very high45 Ų4540.9 Ų40.920%0.19620%0.196CC..Hα-helixtrans-57.4-49.1-179.4-82-174.5169.4-177.60112.5T545 E553 F582 P586 E587 A589 V591T545-K549 HydrophobicContact CG2-CD 3.93Å; T545-K549 HydrophobicContact CG2-CG 4.11Å; T545-K549 WeakPolarHBondContact O-CB 3.43Å; T545-K549 PolarHBondContact O-N 3.49Å; K549-E553 VanDerWaalsContact O-CB 3.28Å; K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 2.71Å; K549-F582 HydrophobicContact CB-CZ 4.39Å; K549-F582 HydrophobicContact CD-CE1 4.07Å; K549-F582 HydrophobicContact CD-CZ 4.15Å; K549-P586 WeakPolarHBondContact CE-O 3.33Å; K549-P586 PolarHBondContact NZ-O 3.45Å; K549-E587 PolarHBondContact NZ-O 2.98Å; K549-A589 PolarHBondContact NZ-O 3.3Å; K549-V591 HydrophobicContact CB-CG2 4.19Å
550C97.5Very high95.6Very high0 Ų040.5 Ų40.50%020%0.195CC..Hα-helixtrans-69.9-40.4-173.9-60.70000111.7L546 I548 E553 V554 I606L546-C550 VanDerWaalsContact O-CB 3.31Å; L546-C550 WeakPolarHBondContact O-CB 3.39Å; L546-C550 PolarHBondContact O-N 3Å; L546-C550 PolarHBondContact O-SG 3.38Å; I548-C550 PolarHBondContact O-N 3.04Å; C550-E553 PolarHBondContact O-N 2.91Å; C550-V554 WeakPolarHBondContact O-CG2 3.33Å; C550-V554 PolarHBondContact O-N 2.87Å; C550-I606 HydrophobicContact CB-CD1 3.61Å; C550-I606 HydrophobicContact CB-CG1 3.6Å
551I97.8Very high95.7Very high0 Ų036 Ų360%017%0.174CC..Hα-helixtrans-69.5-44.9179.1-68.8170.9000110.8L547 I548 E553 V554 E555 I606 Y661 F662 H665L547-I551 HydrophobicContact CB-CD1 4.46Å; L547-I551 VanDerWaalsContact O-CB 3.23Å; L547-I551 WeakPolarHBondContact O-CB 3.23Å; L547-I551 WeakPolarHBondContact O-CD1 3.45Å; L547-I551 VanDerWaalsContact O-CG1 3.23Å; L547-I551 WeakPolarHBondContact O-CG1 3.27Å; L547-I551 PolarHBondContact O-N 3.45Å; I548-I551 PolarHBondContact O-N 3Å; I551-E553 VanDerWaalsContact C-N 3.3Å; I551-E553 PolarHBondContact O-N 2.95Å; I551-V554 PolarHBondContact O-N 3.35Å; I551-E555 WeakPolarHBondContact O-CG 3.37Å; I551-E555 PolarHBondContact O-N 3.44Å; I551-I606 HydrophobicContact CG1-CD1 3.82Å; I551-Y661 HydrophobicContact CB-CE1 4.12Å; I551-Y661 HydrophobicContact CD1-CD1 3.86Å; I551-Y661 HydrophobicContact CD1-CE1 3.74Å; I551-Y661 HydrophobicContact CG1-CE1 4.49Å; I551-Y661 HydrophobicContact CG2-CE1 4.25Å; I551-F662 HydrophobicContact CD1-CD2 4Å; I551-H665 HydrophobicContact CD1-CB 4.46Å; I551-H665 HydrophobicContact CG2-CB 3.76Å
552Q97Very high95.9Very high108 Ų10834.7 Ų34.751%0.50517%0.173SC..Hα-helixtrans-58.7-41.6175.4-74.1176.1-2200112.1I548 E555 R556I548-Q552 HydrophobicContact CG2-CG 4.43Å; I548-Q552 VanDerWaalsContact O-CB 3.29Å; I548-Q552 WeakPolarHBondContact O-CB 3.43Å; I548-Q552 VanDerWaalsContact O-CG 3.23Å; I548-Q552 WeakPolarHBondContact O-CG 3.43Å; I548-Q552 PolarHBondContact O-N 2.99Å; Q552-E555 PolarHBondContact O-N 3.02Å; Q552-R556 VanDerWaalsContact O-CB 3.26Å; Q552-R556 WeakPolarHBondContact O-CB 3.35Å; Q552-R556 PolarHBondContact O-N 3.19Å
553E96.9Very high96.1Very high20 Ų2036.6 Ų36.69%0.09318%0.176CC..Hα-helixtrans-73.4-31.5-179.9-175.666.2-176.600113K549 C550 I551 R556 R557 V591 E593 L602K549-E553 VanDerWaalsContact O-CB 3.28Å; K549-E553 WeakPolarHBondContact O-CB 3.46Å; K549-E553 PolarHBondContact O-N 2.71Å; C550-E553 PolarHBondContact O-N 2.91Å; I551-E553 VanDerWaalsContact C-N 3.3Å; I551-E553 PolarHBondContact O-N 2.95Å; E553-R556 IonicContact OE1-CZ 2.86Å; E553-R556 IonicContact OE1-NE 2.91Å; E553-R556 IonicContact OE1-NH2 3.49Å; E553-R556 PolarHBondContact OE1-NH2 3.12Å; E553-R556 IonicContact OE2-CZ 2.66Å; E553-R556 IonicContact OE2-NE 3Å; E553-R556 PolarHBondContact OE2-NE 3.03Å; E553-R556 IonicContact OE2-NH2 3.73Å; E553-R556 PolarHBondContact OE2-NH2 2.88Å; E553-R557 WeakPolarHBondContact O-CG 3.46Å; E553-R557 IonicContact OE1-CZ 3.36Å; E553-R557 IonicContact OE1-NE 3.67Å; E553-R557 PolarHBondContact OE1-NE 3.3Å; E553-R557 IonicContact OE1-NH2 3.17Å; E553-R557 PolarHBondContact OE1-NH2 3.19Å; E553-V591 HydrophobicContact CB-CG2 3.96Å; E553-V591 HydrophobicContact CG-CB 4.36Å; E553-V591 HydrophobicContact CG-CG2 4.04Å; E553-E593 PolarHBondContact OE1-N 3.45Å; E553-L602 HydrophobicContact CB-CD1 4.12Å; E553-L602 HydrophobicContact CG-CD1 3.75Å
554V97.3Very high96.1Very high0 Ų036.1 Ų36.10%017%0.174CC..Hα-helixtrans-62.9-46169.3169.40000110.2C550 I551 G559 L565 I599 L602 T603C550-V554 WeakPolarHBondContact O-CG2 3.33Å; C550-V554 PolarHBondContact O-N 2.87Å; I551-V554 PolarHBondContact O-N 3.35Å; V554-G559 VanDerWaalsContact O-CA 3.29Å; V554-G559 WeakPolarHBondContact O-CA 3.24Å; V554-G559 PolarHBondContact O-N 2.75Å; V554-L565 HydrophobicContact CG1-CD2 4.32Å; V554-I599 HydrophobicContact CB-CG2 4.42Å; V554-I599 HydrophobicContact CG1-CG2 4.12Å; V554-I599 HydrophobicContact CG2-CG2 3.96Å; V554-L602 HydrophobicContact CG2-CB 3.93Å; V554-L602 HydrophobicContact CG2-CD1 4.16Å; V554-T603 HydrophobicContact CG2-CG2 4.22Å
555E96.7Very high96.2Very high52 Ų5236.1 Ų36.124%0.24317%0.174CC..Hα-helixtrans-72.5-37.8-178.4-67.2-175.5157.400112.7I551 Q552 R557 D558 L560 H665 R668I551-E555 WeakPolarHBondContact O-CG 3.37Å; I551-E555 PolarHBondContact O-N 3.44Å; Q552-E555 PolarHBondContact O-N 3.02Å; E555-R557 PolarHBondContact O-N 2.85Å; E555-D558 PolarHBondContact O-N 2.99Å; E555-L560 HydrophobicContact CG-CD1 4.38Å; E555-L560 HydrophobicContact CG-CD2 4.14Å; E555-L560 HydrophobicContact CG-CG 4.3Å; E555-H665 IonicContact OE1-CE1 2.62Å; E555-H665 IonicContact OE1-CG 3.77Å; E555-H665 IonicContact OE1-ND1 3.59Å; E555-H665 PolarHBondContact OE1-ND1 2.91Å; E555-R668 VanDerWaalsContact CD-NH2 3.28Å; E555-R668 IonicContact OE1-CZ 3.74Å; E555-R668 IonicContact OE1-NE 2.82Å; E555-R668 PolarHBondContact OE1-NE 3.37Å; E555-R668 IonicContact OE1-NH2 2.75Å; E555-R668 PolarHBondContact OE1-NH2 3.02Å; E555-R668 IonicContact OE2-CZ 2.95Å; E555-R668 IonicContact OE2-NE 3.2Å; E555-R668 IonicContact OE2-NH2 3.21Å; E555-R668 PolarHBondContact OE2-NH2 3.32Å
556R96.4Very high96.2Very high137 Ų13735.9 Ų35.952%0.51717%0.172SC..Hα-helixtrans-58.6-28.6178.1-169.2-162.660.768-7.3113.4Q552 E553 E593Q552-R556 VanDerWaalsContact O-CB 3.26Å; Q552-R556 WeakPolarHBondContact O-CB 3.35Å; Q552-R556 PolarHBondContact O-N 3.19Å; E553-R556 IonicContact OE1-CZ 2.86Å; E553-R556 IonicContact OE1-NE 2.91Å; E553-R556 IonicContact OE1-NH2 3.49Å; E553-R556 PolarHBondContact OE1-NH2 3.12Å; E553-R556 IonicContact OE2-CZ 2.66Å; E553-R556 IonicContact OE2-NE 3Å; E553-R556 PolarHBondContact OE2-NE 3.03Å; E553-R556 IonicContact OE2-NH2 3.73Å; E553-R556 PolarHBondContact OE2-NH2 2.88Å; R556-E593 IonicContact CZ-OE2 2.76Å; R556-E593 IonicContact NH1-OE2 3.65Å; R556-E593 PolarHBondContact NH1-OE2 3.19Å; R556-E593 IonicContact NH2-OE2 2.76Å; R556-E593 PolarHBondContact NH2-OE2 2.96Å
557R93.9Very high96.2Very high35 Ų3541.2 Ų41.213%0.13219%0.192CC..THydrogen-bonded Turntrans-97.813.7-176.4-61.9-172-152.9169.85.1114.5E553 E555 G559 V591 E593 V596 R597 I599E553-R557 WeakPolarHBondContact O-CG 3.46Å; E553-R557 IonicContact OE1-CZ 3.36Å; E553-R557 IonicContact OE1-NE 3.67Å; E553-R557 PolarHBondContact OE1-NE 3.3Å; E553-R557 IonicContact OE1-NH2 3.17Å; E553-R557 PolarHBondContact OE1-NH2 3.19Å; E555-R557 PolarHBondContact O-N 2.85Å; R557-G559 PolarHBondContact O-N 3.3Å; R557-V591 PolarHBondContact NH2-O 2.88Å; R557-E593 WeakPolarHBondContact CD-OE2 3.39Å; R557-E593 IonicContact NE-OE2 2.85Å; R557-E593 VanDerWaalsContact NH2-CA 3.32Å; R557-E593 VanDerWaalsContact NH2-N 3.19Å; R557-V596 VanDerWaalsContact CZ-O 3.26Å; R557-V596 PolarHBondContact NH1-O 3.35Å; R557-V596 PolarHBondContact NH2-O 2.87Å; R557-R597 PolarHBondContact NH1-O 2.83Å; R557-I599 HydrophobicContact CB-CD1 3.85Å
558D92.7Very high96.1Very high97 Ų9744.2 Ų44.252%0.51921%0.208SC..THydrogen-bonded Turntrans55.130.2-167.9-162.738.9000113.1E555 L560 C561E555-D558 PolarHBondContact O-N 2.99Å; D558-L560 PolarHBondContact O-N 3.17Å; D558-C561 VanDerWaalsContact CG-SG 3.57Å; D558-C561 WeakPolarHBondContact O-CB 3.42Å; D558-C561 PolarHBondContact O-N 2.86Å; D558-C561 PolarHBondContact OD1-SG 3.07Å; D558-C561 VanDerWaalsContact OD1-SG 3.32Å; D558-C561 PolarHBondContact OD2-SG 2.94Å
559G93.4Very high96Very high0 Ų046.8 Ų46.80%023%0.228CC..G310 helixtrans-62.4-15179.700000113.8V554 R557 C561 C562 L565V554-G559 VanDerWaalsContact O-CA 3.29Å; V554-G559 WeakPolarHBondContact O-CA 3.24Å; V554-G559 PolarHBondContact O-N 2.75Å; R557-G559 PolarHBondContact O-N 3.3Å; G559-C561 PolarHBondContact O-N 3.03Å; G559-C562 WeakPolarHBondContact O-CB 3.41Å; G559-C562 PolarHBondContact O-N 3.09Å; G559-L565 WeakPolarHBondContact O-CD2 3.38Å
560L96.4Very high95.8Very high22 Ų2245.4 Ų45.412%0.11523%0.226CC..G310 helixtrans-61.1-24170.1-58.9-180000112.6E555 D558 R668 V669 K672 N676E555-L560 HydrophobicContact CG-CD1 4.38Å; E555-L560 HydrophobicContact CG-CD2 4.14Å; E555-L560 HydrophobicContact CG-CG 4.3Å; D558-L560 PolarHBondContact O-N 3.17Å; L560-R668 HydrophobicContact CD1-CB 4.22Å; L560-R668 HydrophobicContact CD2-CB 4.5Å; L560-V669 HydrophobicContact CD2-CG2 3.68Å; L560-K672 HydrophobicContact CB-CG 4.13Å; L560-N676 WeakPolarHBondContact O-CB 3.49Å; L560-N676 PolarHBondContact O-ND2 2.83Å
561C95.8Very high95.6Very high36 Ų3649.1 Ų49.124%0.24325%0.246CC..G310 helixtrans-91.2-0.2177.8-65.70000113.7D558 G559 E563 V675D558-C561 VanDerWaalsContact CG-SG 3.57Å; D558-C561 WeakPolarHBondContact O-CB 3.42Å; D558-C561 PolarHBondContact O-N 2.86Å; D558-C561 PolarHBondContact OD1-SG 3.07Å; D558-C561 VanDerWaalsContact OD1-SG 3.32Å; D558-C561 PolarHBondContact OD2-SG 2.94Å; G559-C561 PolarHBondContact O-N 3.03Å; C561-E563 PolarHBondContact O-N 3.07Å; C561-V675 HydrophobicContact CB-CG1 4.02Å
562C95.3Very high95.2Very high43 Ų4355.5 Ų55.529%0.29127%0.271SS..SBendtrans-75.2122.4179-67.20000112.4G559 G564 L565 N676G559-C562 WeakPolarHBondContact O-CB 3.41Å; G559-C562 PolarHBondContact O-N 3.09Å; C562-G564 PolarHBondContact O-N 3Å; C562-L565 HydrophobicContact CB-CD1 4.32Å; C562-L565 PolarHBondContact O-N 3.22Å; C562-N676 WeakPolarHBondContact O-CB 3.46Å
563E96.1Very high94.8Very high112 Ų11254 Ų5452%0.52327%0.266SS..THydrogen-bonded Turntrans-55.3130.7178.3-157.8-136.1125.300112.2C561 L565 R567 I568 N676 M677C561-E563 PolarHBondContact O-N 3.07Å; E563-L565 VanDerWaalsContact C-N 3.34Å; E563-L565 PolarHBondContact O-N 3.03Å; E563-R567 IonicContact OE1-CZ 2.66Å; E563-R567 IonicContact OE1-NH2 3.06Å; E563-R567 PolarHBondContact OE1-NH2 3.06Å; E563-I568 VanDerWaalsContact O-CD1 3.28Å; E563-I568 WeakPolarHBondContact O-CD1 3.32Å; E563-N676 CarbonylContact C-O 3.48Å; E563-N676 WeakPolarHBondContact CA-O 3.45Å; E563-M677 HydrophobicContact CG-CB 4.19Å; E563-M677 HydrophobicContact CG-CG 3.82Å
564G95.3Very high94.6Very high0 Ų055.3 Ų55.30%027%0.273CS..THydrogen-bonded Turntrans68.726.4178.600000114.6C562 Y566 R567 I568 N676C562-G564 PolarHBondContact O-N 3Å; G564-Y566 PolarHBondContact O-N 2.81Å; G564-R567 CarbonylContact O-C 3.31Å; G564-R567 WeakPolarHBondContact O-CA 3.33Å; G564-R567 VanDerWaalsContact O-CB 3.31Å; G564-R567 WeakPolarHBondContact O-CB 3.26Å; G564-R567 PolarHBondContact O-N 3.12Å; G564-I568 PolarHBondContact O-N 3.15Å; G564-N676 PolarHBondContact N-O 2.76Å
565L97Very high94.4Very high0 Ų055.7 Ų55.70%028%0.276CS..THydrogen-bonded Turntrans-50.9137.8174-164.573.4000111.1V554 G559 C562 E563 R567 I599 T603 V669 M678V554-L565 HydrophobicContact CG1-CD2 4.32Å; G559-L565 WeakPolarHBondContact O-CD2 3.38Å; C562-L565 HydrophobicContact CB-CD1 4.32Å; C562-L565 PolarHBondContact O-N 3.22Å; E563-L565 VanDerWaalsContact C-N 3.34Å; E563-L565 PolarHBondContact O-N 3.03Å; L565-R567 PolarHBondContact O-N 2.82Å; L565-I599 HydrophobicContact CD1-CG2 3.98Å; L565-T603 HydrophobicContact CD1-CG2 3.65Å; L565-T603 HydrophobicContact CG-CG2 4.04Å; L565-V669 HydrophobicContact CB-CG1 4.38Å; L565-V669 HydrophobicContact CD2-CB 4.5Å; L565-V669 HydrophobicContact CD2-CG1 3.92Å; L565-V669 HydrophobicContact CD2-CG2 3.69Å; L565-M678 WeakPolarHBondContact O-CG 3.27Å
566Y97.3Very high93.9Very high0 Ų054.2 Ų54.20%027%0.269CS..THydrogen-bonded Turntrans60.5-18.9-168.8-65.3-86000116.7G564 T603 I606 K607 F662 H665 I666 V669 L687G564-Y566 PolarHBondContact O-N 2.81Å; Y566-T603 HydrophobicContact CD1-CG2 4.21Å; Y566-T603 HydrophobicContact CD2-CG2 4.18Å; Y566-T603 HydrophobicContact CE1-CG2 3.91Å; Y566-T603 HydrophobicContact CE2-CG2 3.87Å; Y566-T603 HydrophobicContact CG-CG2 4.32Å; Y566-I606 HydrophobicContact CE1-CG2 4.42Å; Y566-K607 HydrophobicContact CD1-CD 4.21Å; Y566-K607 HydrophobicContact CD1-CG 4.08Å; Y566-K607 PolarHBondContact O-NZ 3.43Å; Y566-F662 AromaticContact CE1-CE2 3.95Å; Y566-F662 HydrophobicContact CE1-CE2 3.95Å; Y566-F662 HydrophobicContact CE1-CZ 4.13Å; Y566-H665 AromaticContact CE2-NE2 3.45Å; Y566-H665 WeakPolarHBondContact CE2-NE2 3.38Å; Y566-H665 AromaticContact CZ-CD2 3.97Å; Y566-H665 AromaticContact CZ-NE2 3.56Å; Y566-H665 PolarHBondContact OH-CD2 3.31Å; Y566-H665 PolarHBondContact OH-NE2 2.95Å; Y566-I666 HydrophobicContact CD2-CD1 3.82Å; Y566-I666 HydrophobicContact CE1-CD1 4.34Å; Y566-I666 HydrophobicContact CE2-CD1 3.49Å; Y566-I666 VanDerWaalsContact CE2-CD1 3.49Å; Y566-I666 HydrophobicContact CG-CD1 4.38Å; Y566-V669 HydrophobicContact CE2-CG2 4.29Å; Y566-L687 HydrophobicContact CD1-CD2 4.21Å
567R96.4Very high93.5Very high111 Ų11151.6 Ų51.642%0.41926%0.263SS..THydrogen-bonded Turntrans-78.5-46.4170.6-178.1-176.571-174.91.4111.6E563 G564 L565 M678 V686E563-R567 IonicContact OE1-CZ 2.66Å; E563-R567 IonicContact OE1-NH2 3.06Å; E563-R567 PolarHBondContact OE1-NH2 3.06Å; G564-R567 CarbonylContact O-C 3.31Å; G564-R567 WeakPolarHBondContact O-CA 3.33Å; G564-R567 VanDerWaalsContact O-CB 3.31Å; G564-R567 WeakPolarHBondContact O-CB 3.26Å; G564-R567 PolarHBondContact O-N 3.12Å; L565-R567 PolarHBondContact O-N 2.82Å; R567-M678 HydrophobicContact CB-CE 3.91Å; R567-M678 HydrophobicContact CB-SD 3.7Å; R567-M678 HydrophobicContact CG-SD 4.47Å; R567-V686 HydrophobicContact CB-CG1 4.28Å; R567-V686 HydrophobicContact CG-CG1 4.42Å
568I95.5Very high93.4Very high64 Ų6450 Ų5033%0.32826%0.257SS..SBendtrans-75.9134.7-178.7-62.1178.5000110.6E563 G564 N600E563-I568 VanDerWaalsContact O-CD1 3.28Å; E563-I568 WeakPolarHBondContact O-CD1 3.32Å; G564-I568 PolarHBondContact O-N 3.15Å; I568-N600 HydrophobicContact CG2-CB 4.37Å
569P94.6Very high93.3Very high101 Ų10145.8 Ų45.866%0.65623%0.233SC*.  trans-83.6137.1171.932.9-32.9000111.6
570G93.2Very high92.9Very high15 Ų1547 Ų4716%0.15524%0.241CC..  trans-78.9177.8171.500000113.2Y572 N600 S604G570-Y572 PolarHBondContact O-N 2.91Å; G570-Y572 VanDerWaalsContact O-N 3.17Å; G570-N600 PolarHBondContact N-O 2.93Å; G570-S604 PolarHBondContact N-OG 3.49Å
571N93.5Very high92.5Very high79 Ų7948.1 Ų48.142%0.42225%0.246SC..  trans-63.2114.5175.5-177.1-15.6000112D573 L574 V575 V601N571-D573 PolarHBondContact O-N 2.97Å; N571-D573 PolarHBondContact OD1-N 2.77Å; N571-D573 VanDerWaalsContact OD1-N 3.12Å; N571-L574 HydrophobicContact CB-CB 4.33Å; N571-L574 HydrophobicContact CB-CD1 4.16Å; N571-L574 HydrophobicContact CB-CG 4.29Å; N571-L574 PolarHBondContact O-N 3.03Å; N571-V575 WeakPolarHBondContact O-CG2 3.3Å; N571-V575 PolarHBondContact O-N 2.77Å; N571-V575 VanDerWaalsContact O-N 3.07Å; N571-V601 HydrophobicContact CB-CG2 4.21Å
572Y89.5Confident92.3Very high134 Ų13446.4 Ų46.453%0.52523%0.234SC..Hα-helixtrans-57-43-177.7178.1-88.9000114.2G570 L574 V575 E576G570-Y572 PolarHBondContact O-N 2.91Å; G570-Y572 VanDerWaalsContact O-N 3.17Å; Y572-L574 VanDerWaalsContact C-N 3.29Å; Y572-L574 PolarHBondContact O-N 3.28Å; Y572-V575 WeakPolarHBondContact O-CB 3.44Å; Y572-V575 PolarHBondContact O-N 3.04Å; Y572-V575 VanDerWaalsContact O-N 3.14Å; Y572-E576 HydrophobicContact CE1-CG 3.86Å; Y572-E576 HydrophobicContact CE2-CG 4.34Å; Y572-E576 PolarHBondContact O-N 3Å
573D88.8Confident91.9Very high76 Ų7644.6 Ų44.641%0.40622%0.222SC..Hα-helixtrans-63.4-38.4-179.9-71.3-76.7000111R447 N571 E576 E577R447-D573 IonicContact NH2-OD1 3.42Å; R447-D573 PolarHBondContact NH2-OD1 3.21Å; N571-D573 PolarHBondContact O-N 2.97Å; N571-D573 PolarHBondContact OD1-N 2.77Å; N571-D573 VanDerWaalsContact OD1-N 3.12Å; D573-E576 PolarHBondContact O-N 2.78Å; D573-E577 WeakPolarHBondContact O-CG 3.47Å; D573-E577 PolarHBondContact O-N 3.46Å
574L92.5Very high91.3Very high47 Ų4743.8 Ų43.825%0.24622%0.216CC..Hα-helixtrans-70.2-31.3175-66.2-179.4000112.7N571 Y572 L578 V601N571-L574 HydrophobicContact CB-CB 4.33Å; N571-L574 HydrophobicContact CB-CD1 4.16Å; N571-L574 HydrophobicContact CB-CG 4.29Å; N571-L574 PolarHBondContact O-N 3.03Å; Y572-L574 VanDerWaalsContact C-N 3.29Å; Y572-L574 PolarHBondContact O-N 3.28Å; L574-L578 WeakPolarHBondContact O-CB 3.47Å; L574-L578 VanDerWaalsContact O-CG 3.31Å; L574-L578 WeakPolarHBondContact O-CG 3.42Å; L574-L578 PolarHBondContact O-N 2.8Å; L574-V601 HydrophobicContact CB-CG1 4.01Å; L574-V601 HydrophobicContact CB-CG2 4.16Å; L574-V601 HydrophobicContact CD1-CG2 4.33Å
575V91.8Very high90.9Very high9 Ų945.6 Ų45.66%0.05523%0.226CC..Hα-helixtrans-65-44.1172.6174.10000110.5N571 Y572 L578 R579 V601 L605N571-V575 WeakPolarHBondContact O-CG2 3.3Å; N571-V575 PolarHBondContact O-N 2.77Å; N571-V575 VanDerWaalsContact O-N 3.07Å; Y572-V575 WeakPolarHBondContact O-CB 3.44Å; Y572-V575 PolarHBondContact O-N 3.04Å; Y572-V575 VanDerWaalsContact O-N 3.14Å; V575-L578 PolarHBondContact O-N 3.07Å; V575-R579 WeakPolarHBondContact O-CB 3.19Å; V575-R579 PolarHBondContact O-N 3.26Å; V575-V601 HydrophobicContact CG2-CB 4.49Å; V575-V601 HydrophobicContact CG2-CG1 3.88Å; V575-L605 HydrophobicContact CG1-CB 4.42Å; V575-L605 HydrophobicContact CG1-CD1 3.95Å
576E86.6Confident90.5Very high21 Ų2145.8 Ų45.810%0.09823%0.227CC..Hα-helixtrans-73.3-31.4178.1-75-67.410000113.3Y572 D573 R579 T580Y572-E576 HydrophobicContact CE1-CG 3.86Å; Y572-E576 HydrophobicContact CE2-CG 4.34Å; Y572-E576 PolarHBondContact O-N 3Å; D573-E576 PolarHBondContact O-N 2.78Å; E576-R579 VanDerWaalsContact CD-NE 3.29Å; E576-R579 WeakPolarHBondContact OE1-CD 3.32Å; E576-R579 IonicContact OE1-CZ 3.38Å; E576-R579 IonicContact OE1-NE 3.1Å; E576-R579 PolarHBondContact OE1-NE 3.42Å; E576-R579 IonicContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.79Å; E576-R579 IonicContact OE2-NE 3.38Å; E576-R579 PolarHBondContact OE2-NE 3.39Å; E576-R579 VanDerWaalsContact OE2-NE 3.1Å; E576-R579 IonicContact OE2-NH2 3.19Å; E576-R579 PolarHBondContact OE2-NH2 3.31Å; E576-T580 WeakPolarHBondContact O-CB 3.43Å; E576-T580 PolarHBondContact O-N 2.8Å; E576-T580 VanDerWaalsContact O-N 3.08Å; E576-T580 PolarHBondContact O-OG1 3.11Å
577E88.3Confident90.2Very high82 Ų8250.1 Ų50.138%0.38325%0.248SC..Hα-helixtrans-59.2-53.1167.8-80-178.7-139.700110.9D573 R579 T580 E581 R595D573-E577 WeakPolarHBondContact O-CG 3.47Å; D573-E577 PolarHBondContact O-N 3.46Å; E577-R579 PolarHBondContact O-N 3.04Å; E577-T580 CarbonylContact O-C 3.57Å; E577-T580 WeakPolarHBondContact O-CB 3.4Å; E577-T580 PolarHBondContact O-N 3.19Å; E577-T580 VanDerWaalsContact O-N 3.13Å; E577-E581 PolarHBondContact O-N 2.86Å; E577-R595 IonicContact OE2-CZ 3.2Å; E577-R595 IonicContact OE2-NH1 2.75Å; E577-R595 PolarHBondContact OE2-NH1 3.24Å; E577-R595 IonicContact OE2-NH2 2.74Å; E577-R595 PolarHBondContact OE2-NH2 2.76Å
578L92.1Very high90Very high2 Ų251.7 Ų51.71%0.0126%0.263CS..Hα-helixtrans-64.1-39.1178.7-70.4169.4000112.4L574 V575 T580 E581 F582 V596 V601 L602 L605L574-L578 WeakPolarHBondContact O-CB 3.47Å; L574-L578 VanDerWaalsContact O-CG 3.31Å; L574-L578 WeakPolarHBondContact O-CG 3.42Å; L574-L578 PolarHBondContact O-N 2.8Å; V575-L578 PolarHBondContact O-N 3.07Å; L578-T580 PolarHBondContact O-N 2.79Å; L578-E581 WeakPolarHBondContact O-CB 3.32Å; L578-E581 PolarHBondContact O-N 2.84Å; L578-E581 VanDerWaalsContact O-N 3.1Å; L578-F582 WeakPolarHBondContact O-CD2 3.34Å; L578-F582 PolarHBondContact O-N 3.15Å; L578-V596 HydrophobicContact CD1-CG1 4.27Å; L578-V596 HydrophobicContact CD1-CG2 3.72Å; L578-V596 HydrophobicContact CD2-CG2 3.8Å; L578-V596 HydrophobicContact CG-CG2 4.21Å; L578-V601 HydrophobicContact CD1-CG1 3.51Å; L578-L602 HydrophobicContact CD1-CD2 4.36Å; L578-L605 HydrophobicContact CB-CD1 4.22Å; L578-L605 HydrophobicContact CB-CD2 3.8Å; L578-L605 HydrophobicContact CD1-CD2 4.15Å
579R89.5Confident89.8Confident7 Ų749 Ų493%0.02625%0.25CS..Hα-helixtrans-53.4-45.4172.7-168.1-171.753.356.67.2110.4F528 V575 E576 E577 F582 D583 L605F528-R579 HydrophobicContact CB-CG 4.26Å; F528-R579 HydrophobicContact CD1-CG 3.74Å; F528-R579 HydrophobicContact CD2-CG 3.39Å; F528-R579 HydrophobicContact CE1-CG 3.82Å; F528-R579 HydrophobicContact CE2-CB 4.2Å; F528-R579 HydrophobicContact CE2-CG 3.51Å; F528-R579 HydrophobicContact CG-CG 3.52Å; F528-R579 HydrophobicContact CZ-CB 4.26Å; F528-R579 HydrophobicContact CZ-CG 3.72Å; V575-R579 WeakPolarHBondContact O-CB 3.19Å; V575-R579 PolarHBondContact O-N 3.26Å; E576-R579 VanDerWaalsContact CD-NE 3.29Å; E576-R579 WeakPolarHBondContact OE1-CD 3.32Å; E576-R579 IonicContact OE1-CZ 3.38Å; E576-R579 IonicContact OE1-NE 3.1Å; E576-R579 PolarHBondContact OE1-NE 3.42Å; E576-R579 IonicContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.79Å; E576-R579 IonicContact OE2-NE 3.38Å; E576-R579 PolarHBondContact OE2-NE 3.39Å; E576-R579 VanDerWaalsContact OE2-NE 3.1Å; E576-R579 IonicContact OE2-NH2 3.19Å; E576-R579 PolarHBondContact OE2-NH2 3.31Å; E577-R579 PolarHBondContact O-N 3.04Å; R579-F582 PolarHBondContact O-N 3.29Å; R579-D583 IonicContact CZ-OD2 3.25Å; R579-D583 IonicContact NH1-OD2 2.71Å; R579-D583 PolarHBondContact NH1-OD2 2.74Å; R579-D583 WeakPolarHBondContact O-CB 3.24Å; R579-D583 PolarHBondContact O-N 3.28Å; R579-L605 HydrophobicContact CB-CD1 4.25Å
580T84.6Confident89.7Confident26 Ų2647.4 Ų47.416%0.1624%0.237CC..Hα-helixtrans-71.3-29.5179.1-51.80000112.8H153 E576 E577 L578 K584H153-T580 HydrophobicContact CB-CG2 4.15Å; E576-T580 WeakPolarHBondContact O-CB 3.43Å; E576-T580 PolarHBondContact O-N 2.8Å; E576-T580 VanDerWaalsContact O-N 3.08Å; E576-T580 PolarHBondContact O-OG1 3.11Å; E577-T580 CarbonylContact O-C 3.57Å; E577-T580 WeakPolarHBondContact O-CB 3.4Å; E577-T580 PolarHBondContact O-N 3.19Å; E577-T580 VanDerWaalsContact O-N 3.13Å; L578-T580 PolarHBondContact O-N 2.79Å; T580-K584 VanDerWaalsContact O-CG 3.31Å; T580-K584 WeakPolarHBondContact O-CG 3.48Å; T580-K584 PolarHBondContact O-N 2.88Å
581E88.9Confident89.7Confident46 Ų4647.4 Ų47.422%0.21523%0.233CC..Hα-helixtrans-66.8-44.9169-71.1-176.8-152.200111.8E577 L578 K584 D585 A589 N590 R595E577-E581 PolarHBondContact O-N 2.86Å; L578-E581 WeakPolarHBondContact O-CB 3.32Å; L578-E581 PolarHBondContact O-N 2.84Å; L578-E581 VanDerWaalsContact O-N 3.1Å; E581-K584 PolarHBondContact O-N 2.96Å; E581-D585 PolarHBondContact O-N 3.29Å; E581-D585 VanDerWaalsContact O-N 3.1Å; E581-A589 HydrophobicContact CB-CB 4.04Å; E581-N590 PolarHBondContact OE2-N 3.43Å; E581-R595 IonicContact OE1-CZ 3.52Å; E581-R595 VanDerWaalsContact OE1-CZ 3.25Å; E581-R595 IonicContact OE1-NE 3.43Å; E581-R595 PolarHBondContact OE1-NE 3.37Å; E581-R595 IonicContact OE1-NH2 3.62Å; E581-R595 PolarHBondContact OE1-NH2 3.15Å
582F91.3Very high89.7Confident0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-67.1-42.1178.1-85.9-77.6000113V527 F528 L546 K549 L578 R579 K584 D585 P586 A589 V591 L605V527-F582 VanDerWaalsContact CG2-O 3.32Å; V527-F582 WeakPolarHBondContact CG2-O 3.26Å; F528-F582 HydrophobicContact CE2-CB 4.09Å; L546-F582 HydrophobicContact CB-CD1 3.95Å; L546-F582 HydrophobicContact CB-CE1 3.85Å; L546-F582 HydrophobicContact CB-CZ 4.38Å; L546-F582 HydrophobicContact CD1-CB 4.14Å; L546-F582 HydrophobicContact CD1-CD1 3.95Å; L546-F582 HydrophobicContact CD1-CD2 3.93Å; L546-F582 HydrophobicContact CD1-CE1 4.35Å; L546-F582 HydrophobicContact CD1-CE2 4.32Å; L546-F582 HydrophobicContact CD1-CG 3.75Å; L546-F582 HydrophobicContact CG-CD1 4.1Å; L546-F582 HydrophobicContact CG-CD2 4.37Å; L546-F582 HydrophobicContact CG-CE1 4.01Å; L546-F582 HydrophobicContact CG-CE2 4.28Å; L546-F582 HydrophobicContact CG-CG 4.3Å; L546-F582 HydrophobicContact CG-CZ 4.1Å; K549-F582 HydrophobicContact CB-CZ 4.39Å; K549-F582 HydrophobicContact CD-CE1 4.07Å; K549-F582 HydrophobicContact CD-CZ 4.15Å; L578-F582 WeakPolarHBondContact O-CD2 3.34Å; L578-F582 PolarHBondContact O-N 3.15Å; R579-F582 PolarHBondContact O-N 3.29Å; F582-K584 PolarHBondContact O-N 2.84Å; F582-D585 CarbonylContact O-C 3.53Å; F582-P586 HydrophobicContact CD1-CB 4Å; F582-P586 WeakPolarHBondContact O-CD 3.27Å; F582-A589 HydrophobicContact CB-CB 4.4Å; F582-A589 HydrophobicContact CD1-CB 3.69Å; F582-A589 HydrophobicContact CD2-CB 3.82Å; F582-A589 HydrophobicContact CE1-CB 3.8Å; F582-A589 HydrophobicContact CE2-CB 3.94Å; F582-A589 HydrophobicContact CG-CB 3.69Å; F582-A589 HydrophobicContact CZ-CB 3.92Å; F582-V591 HydrophobicContact CE2-CG1 3.79Å; F582-V591 HydrophobicContact CZ-CG1 3.73Å; F582-L605 HydrophobicContact CD2-CD2 3.97Å; F582-L605 HydrophobicContact CE2-CD2 3.76Å
583D86.9Confident89.9Confident5 Ų543.7 Ų43.73%0.02722%0.223CC..Hα-helixtrans-67.1-19.4175.4-73.8-38.5000113M524 K525 V527 F528 R579M524-D583 WeakPolarHBondContact CB-O 3.47Å; K525-D583 CarbonylContact C-O 3.59Å; K525-D583 PolarHBondContact N-O 3.46Å; V527-D583 PolarHBondContact N-OD1 3.48Å; F528-D583 PolarHBondContact N-OD1 3.14Å; R579-D583 IonicContact CZ-OD2 3.25Å; R579-D583 IonicContact NH1-OD2 2.71Å; R579-D583 PolarHBondContact NH1-OD2 2.74Å; R579-D583 WeakPolarHBondContact O-CB 3.24Å; R579-D583 PolarHBondContact O-N 3.28Å
584K83.5Confident90Very high94 Ų9445 Ų4541%0.40924%0.238SC..Hα-helixtrans-77.5-63.3170.1-80.2178.1176.5-168.60110.7M524 T580 E581 F582M524-K584 HydrophobicContact CE-CG 4.05Å; T580-K584 VanDerWaalsContact O-CG 3.31Å; T580-K584 WeakPolarHBondContact O-CG 3.48Å; T580-K584 PolarHBondContact O-N 2.88Å; E581-K584 PolarHBondContact O-N 2.96Å; F582-K584 PolarHBondContact O-N 2.84Å
585D86.7Confident90Very high38 Ų3847 Ų4720%0.20324%0.242CC..  trans-151.9117.5170-163.8-50.1000111.9K525 E581 F582 E587 L588 A589K525-D585 IonicContact NZ-OD1 3.83Å; K525-D585 IonicContact NZ-OD2 2.88Å; K525-D585 PolarHBondContact NZ-OD2 2.98Å; E581-D585 PolarHBondContact O-N 3.29Å; E581-D585 VanDerWaalsContact O-N 3.1Å; F582-D585 CarbonylContact O-C 3.53Å; D585-E587 VanDerWaalsContact C-N 3.28Å; D585-E587 PolarHBondContact O-N 2.92Å; D585-E587 WeakPolarHBondContact OD1-CB 3.46Å; D585-E587 PolarHBondContact OD1-N 2.67Å; D585-L588 HydrophobicContact CB-CB 4.2Å; D585-L588 HydrophobicContact CB-CD1 4.25Å; D585-L588 HydrophobicContact CB-CG 4.24Å; D585-L588 PolarHBondContact O-N 2.89Å; D585-A589 PolarHBondContact O-N 3.13Å
586P90.1Very high90Very high4 Ų446.7 Ų46.73%0.02624%0.241CC..THydrogen-bonded Turntrans-65.6-27.1-177.925.4-33.7000113.7V527 T545 K549 F582V527-P586 HydrophobicContact CG2-CB 4.02Å; V527-P586 HydrophobicContact CG2-CG 4.1Å; T545-P586 HydrophobicContact CG2-CB 4.1Å; T545-P586 VanDerWaalsContact CG2-O 3.31Å; T545-P586 WeakPolarHBondContact CG2-O 3.35Å; K549-P586 WeakPolarHBondContact CE-O 3.33Å; K549-P586 PolarHBondContact NZ-O 3.45Å; F582-P586 HydrophobicContact CD1-CB 4Å; F582-P586 WeakPolarHBondContact O-CD 3.27Å
587E90.3Very high90.3Very high92 Ų9255.9 Ų55.943%0.4328%0.275SS..THydrogen-bonded Turntrans-76.3-28178.6-54.1-56.1129.100111.4K541 T545 K549 D585K541-E587 IonicContact NZ-OE1 3.57Å; K541-E587 PolarHBondContact NZ-OE1 3.47Å; K541-E587 IonicContact NZ-OE2 2.76Å; K541-E587 PolarHBondContact NZ-OE2 2.82Å; T545-E587 WeakPolarHBondContact CB-OE1 3.45Å; T545-E587 WeakPolarHBondContact CG2-OE1 3.42Å; T545-E587 PolarHBondContact OG1-OE1 2.93Å; K549-E587 PolarHBondContact NZ-O 2.98Å; D585-E587 VanDerWaalsContact C-N 3.28Å; D585-E587 PolarHBondContact O-N 2.92Å; D585-E587 WeakPolarHBondContact OD1-CB 3.46Å; D585-E587 PolarHBondContact OD1-N 2.67Å
588L91.3Very high90.6Very high143 Ų14354.9 Ų54.975%0.74927%0.272SS*.THydrogen-bonded Turntrans-93.5-20.8179.3-59.2179.6000114.6D585 N590D585-L588 HydrophobicContact CB-CB 4.2Å; D585-L588 HydrophobicContact CB-CD1 4.25Å; D585-L588 HydrophobicContact CB-CG 4.24Å; D585-L588 PolarHBondContact O-N 2.89Å; L588-N590 PolarHBondContact O-N 2.91Å
589A92.1Very high90.8Very high7 Ų755.6 Ų55.66%0.05828%0.276CS..  trans-52.6131.4-179.700000113.3K549 E581 F582 D585K549-A589 PolarHBondContact NZ-O 3.3Å; E581-A589 HydrophobicContact CB-CB 4.04Å; F582-A589 HydrophobicContact CB-CB 4.4Å; F582-A589 HydrophobicContact CD1-CB 3.69Å; F582-A589 HydrophobicContact CD2-CB 3.82Å; F582-A589 HydrophobicContact CE1-CB 3.8Å; F582-A589 HydrophobicContact CE2-CB 3.94Å; F582-A589 HydrophobicContact CG-CB 3.69Å; F582-A589 HydrophobicContact CZ-CB 3.92Å; D585-A589 PolarHBondContact O-N 3.13Å
590N92.9Very high91.1Very high69 Ų6956.4 Ų56.437%0.36928%0.28SS..  trans-104.392.6-166.2-177.67.2000112.8E581 L588 S592 R595E581-N590 PolarHBondContact OE2-N 3.43Å; L588-N590 PolarHBondContact O-N 2.91Å; N590-S592 VanDerWaalsContact C-N 3.29Å; N590-S592 PolarHBondContact O-N 2.84Å; N590-S592 VanDerWaalsContact OD1-CB 3.28Å; N590-S592 WeakPolarHBondContact OD1-CB 3.34Å; N590-S592 PolarHBondContact OD1-N 3.37Å; N590-S592 PolarHBondContact OD1-OG 3.16Å; N590-R595 WeakPolarHBondContact O-CG 3.48Å
591V93.7Very high91.7Very high14 Ų1455.1 Ų55.19%0.08527%0.273CS..  trans-80.9-1.9176.2-62.20000114.4K549 E553 R557 F582 L602K549-V591 HydrophobicContact CB-CG2 4.19Å; E553-V591 HydrophobicContact CB-CG2 3.96Å; E553-V591 HydrophobicContact CG-CB 4.36Å; E553-V591 HydrophobicContact CG-CG2 4.04Å; R557-V591 PolarHBondContact NH2-O 2.88Å; F582-V591 HydrophobicContact CE2-CG1 3.79Å; F582-V591 HydrophobicContact CZ-CG1 3.73Å; V591-L602 HydrophobicContact CB-CD2 4.05Å; V591-L602 HydrophobicContact CG1-CD2 4.16Å
592S93.1Very high92.1Very high41 Ų4153 Ų5329%0.28726%0.262SS..SBendtrans-65.1157.5-168.770.40000114.2N590 S594 R595 V596N590-S592 VanDerWaalsContact C-N 3.29Å; N590-S592 PolarHBondContact O-N 2.84Å; N590-S592 VanDerWaalsContact OD1-CB 3.28Å; N590-S592 WeakPolarHBondContact OD1-CB 3.34Å; N590-S592 PolarHBondContact OD1-N 3.37Å; N590-S592 PolarHBondContact OD1-OG 3.16Å; S592-S594 PolarHBondContact O-N 3.22Å; S592-S594 VanDerWaalsContact O-N 3.13Å; S592-S594 PolarHBondContact OG-OG 3.25Å; S592-R595 PolarHBondContact O-N 3.45Å; S592-V596 PolarHBondContact O-N 3.39Å
593E92.5Very high92.4Very high94 Ų9453 Ų5344%0.43926%0.262SS..THydrogen-bonded Turntrans-59.1-25.7-173.5-159.1170.2150.500114.9E553 R556 R557 R597E553-E593 PolarHBondContact OE1-N 3.45Å; R556-E593 IonicContact CZ-OE2 2.76Å; R556-E593 IonicContact NH1-OE2 3.65Å; R556-E593 PolarHBondContact NH1-OE2 3.19Å; R556-E593 IonicContact NH2-OE2 2.76Å; R556-E593 PolarHBondContact NH2-OE2 2.96Å; R557-E593 WeakPolarHBondContact CD-OE2 3.39Å; R557-E593 IonicContact NE-OE2 2.85Å; R557-E593 VanDerWaalsContact NH2-CA 3.32Å; R557-E593 VanDerWaalsContact NH2-N 3.19Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å
594S91.6Very high92.9Very high105 Ų10553.5 Ų53.573%0.73427%0.267SS*.THydrogen-bonded Turntrans-72.7-31.7174.161.60000113S592S592-S594 PolarHBondContact O-N 3.22Å; S592-S594 VanDerWaalsContact O-N 3.13Å; S592-S594 PolarHBondContact OG-OG 3.25Å
595R91.6Very high93.5Very high87 Ų8749 Ų4933%0.32825%0.247SC..THydrogen-bonded Turntrans-86.8-43176.4177.960171.8128.5-2.5111.5E577 E581 N590 S592E577-R595 IonicContact OE2-CZ 3.2Å; E577-R595 IonicContact OE2-NH1 2.75Å; E577-R595 PolarHBondContact OE2-NH1 3.24Å; E577-R595 IonicContact OE2-NH2 2.74Å; E577-R595 PolarHBondContact OE2-NH2 2.76Å; E581-R595 IonicContact OE1-CZ 3.52Å; E581-R595 VanDerWaalsContact OE1-CZ 3.25Å; E581-R595 IonicContact OE1-NE 3.43Å; E581-R595 PolarHBondContact OE1-NE 3.37Å; E581-R595 IonicContact OE1-NH2 3.62Å; E581-R595 PolarHBondContact OE1-NH2 3.15Å; N590-R595 WeakPolarHBondContact O-CG 3.48Å; S592-R595 PolarHBondContact O-N 3.45Å
596V92.1Very high93.9Very high3 Ų347.2 Ų47.22%0.01824%0.238CC..  trans-130.199.1-173.1-1670000109.7R557 L578 S592 V601 L602R557-V596 VanDerWaalsContact CZ-O 3.26Å; R557-V596 PolarHBondContact NH1-O 3.35Å; R557-V596 PolarHBondContact NH2-O 2.87Å; L578-V596 HydrophobicContact CD1-CG1 4.27Å; L578-V596 HydrophobicContact CD1-CG2 3.72Å; L578-V596 HydrophobicContact CD2-CG2 3.8Å; L578-V596 HydrophobicContact CG-CG2 4.21Å; S592-V596 PolarHBondContact O-N 3.39Å; V596-V601 HydrophobicContact CG1-CB 3.78Å; V596-V601 HydrophobicContact CG1-CG1 3.79Å; V596-V601 HydrophobicContact CG1-CG2 4.38Å; V596-L602 HydrophobicContact CG1-CD2 4.23Å; V596-L602 HydrophobicContact CG1-CG 4.45Å
597R93.3Very high94.2Very high215 Ų21548.5 Ų48.581%0.81124%0.243SC*.  trans-80.5-39.1178.8-76.9-179.3-79.8162.6-3.4113.8R557 E593 I599R557-R597 PolarHBondContact NH1-O 2.83Å; E593-R597 WeakPolarHBondContact O-CG 3.48Å; R597-I599 PolarHBondContact O-N 3.32Å
598D94.6Very high94.3Very high61 Ų6144.5 Ų44.533%0.32623%0.225SC..  trans-77.6116.1-179.8173.126000111.5N600 V601D598-N600 PolarHBondContact O-N 2.97Å; D598-N600 VanDerWaalsContact OD1-CB 3.28Å; D598-N600 WeakPolarHBondContact OD1-CB 3.39Å; D598-N600 PolarHBondContact OD1-N 3.33Å; D598-N600 PolarHBondContact OD1-ND2 3.33Å; D598-V601 HydrophobicContact CB-CG2 4.07Å; D598-V601 WeakPolarHBondContact O-CB 3.33Å; D598-V601 PolarHBondContact O-N 3.42Å
599I96.3Very high94.4Very high17 Ų1737.7 Ų37.79%0.08719%0.189CC..Hα-helixtrans-66.7-24.5179.3-62.2-178.5000111.4V554 R557 L565 R597 V601 L602 T603V554-I599 HydrophobicContact CB-CG2 4.42Å; V554-I599 HydrophobicContact CG1-CG2 4.12Å; V554-I599 HydrophobicContact CG2-CG2 3.96Å; R557-I599 HydrophobicContact CB-CD1 3.85Å; L565-I599 HydrophobicContact CD1-CG2 3.98Å; R597-I599 PolarHBondContact O-N 3.32Å; I599-V601 PolarHBondContact O-N 2.81Å; I599-L602 WeakPolarHBondContact O-CB 3.31Å; I599-L602 PolarHBondContact O-N 3.06Å; I599-T603 PolarHBondContact O-N 3.03Å
600N96.8Very high94.5Very high23 Ų2337.4 Ų37.412%0.12319%0.187CC..Hα-helixtrans-68.5-21.1176.8-56.9-74.2000112.7I568 G570 D598 T603 S604I568-N600 HydrophobicContact CG2-CB 4.37Å; G570-N600 PolarHBondContact N-O 2.93Å; D598-N600 PolarHBondContact O-N 2.97Å; D598-N600 VanDerWaalsContact OD1-CB 3.28Å; D598-N600 WeakPolarHBondContact OD1-CB 3.39Å; D598-N600 PolarHBondContact OD1-N 3.33Å; D598-N600 PolarHBondContact OD1-ND2 3.33Å; N600-T603 PolarHBondContact O-OG1 2.94Å; N600-S604 WeakPolarHBondContact O-CB 3.47Å; N600-S604 PolarHBondContact O-N 2.98Å; N600-S604 PolarHBondContact O-OG 3.01Å
601V96.8Very high94.4Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-64.3-44.5169175.10000110N571 L574 V575 L578 V596 D598 I599 S604 L605N571-V601 HydrophobicContact CB-CG2 4.21Å; L574-V601 HydrophobicContact CB-CG1 4.01Å; L574-V601 HydrophobicContact CB-CG2 4.16Å; L574-V601 HydrophobicContact CD1-CG2 4.33Å; V575-V601 HydrophobicContact CG2-CB 4.49Å; V575-V601 HydrophobicContact CG2-CG1 3.88Å; L578-V601 HydrophobicContact CD1-CG1 3.51Å; V596-V601 HydrophobicContact CG1-CB 3.78Å; V596-V601 HydrophobicContact CG1-CG1 3.79Å; V596-V601 HydrophobicContact CG1-CG2 4.38Å; D598-V601 HydrophobicContact CB-CG2 4.07Å; D598-V601 WeakPolarHBondContact O-CB 3.33Å; D598-V601 PolarHBondContact O-N 3.42Å; I599-V601 PolarHBondContact O-N 2.81Å; V601-S604 PolarHBondContact O-N 3.5Å; V601-L605 WeakPolarHBondContact O-CB 3.49Å; V601-L605 PolarHBondContact O-N 3.44Å
602L97.4Very high94.1Very high0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-67-45.1-179.3-58.6-179.6000111.7E553 V554 L578 V591 V596 I599 S604 L605 I606E553-L602 HydrophobicContact CB-CD1 4.12Å; E553-L602 HydrophobicContact CG-CD1 3.75Å; V554-L602 HydrophobicContact CG2-CB 3.93Å; V554-L602 HydrophobicContact CG2-CD1 4.16Å; L578-L602 HydrophobicContact CD1-CD2 4.36Å; V591-L602 HydrophobicContact CB-CD2 4.05Å; V591-L602 HydrophobicContact CG1-CD2 4.16Å; V596-L602 HydrophobicContact CG1-CD2 4.23Å; V596-L602 HydrophobicContact CG1-CG 4.45Å; I599-L602 WeakPolarHBondContact O-CB 3.31Å; I599-L602 PolarHBondContact O-N 3.06Å; L602-S604 VanDerWaalsContact C-N 3.32Å; L602-S604 PolarHBondContact O-N 3.01Å; L602-L605 WeakPolarHBondContact O-CB 3.23Å; L602-L605 PolarHBondContact O-N 3.02Å; L602-I606 WeakPolarHBondContact O-CG1 3.31Å; L602-I606 PolarHBondContact O-N 3.02Å
603T97Very high93.9Very high0 Ų034.9 Ų34.90%017%0.165CC..Hα-helixtrans-68.2-32.2176.862.60000112.5V554 L565 Y566 I599 N600 K607V554-T603 HydrophobicContact CG2-CG2 4.22Å; L565-T603 HydrophobicContact CD1-CG2 3.65Å; L565-T603 HydrophobicContact CG-CG2 4.04Å; Y566-T603 HydrophobicContact CD1-CG2 4.21Å; Y566-T603 HydrophobicContact CD2-CG2 4.18Å; Y566-T603 HydrophobicContact CE1-CG2 3.91Å; Y566-T603 HydrophobicContact CE2-CG2 3.87Å; Y566-T603 HydrophobicContact CG-CG2 4.32Å; I599-T603 PolarHBondContact O-N 3.03Å; N600-T603 PolarHBondContact O-OG1 2.94Å; T603-K607 WeakPolarHBondContact O-CG 3.3Å; T603-K607 PolarHBondContact O-N 2.77Å
604S96.6Very high93.6Very high17 Ų1730.5 Ų30.512%0.11915%0.145CC..Hα-helixtrans-69.8-36.6172.6-61.10000112.3G570 N600 V601 L602 K607 S608G570-S604 PolarHBondContact N-OG 3.49Å; N600-S604 WeakPolarHBondContact O-CB 3.47Å; N600-S604 PolarHBondContact O-N 2.98Å; N600-S604 PolarHBondContact O-OG 3.01Å; V601-S604 PolarHBondContact O-N 3.5Å; L602-S604 VanDerWaalsContact C-N 3.32Å; L602-S604 PolarHBondContact O-N 3.01Å; S604-K607 PolarHBondContact O-N 3.12Å; S604-S608 VanDerWaalsContact O-CB 3.26Å; S604-S608 WeakPolarHBondContact O-CB 3.45Å; S604-S608 PolarHBondContact O-N 3.01Å
605L96.1Very high93.4Very high0 Ų025.8 Ų25.80%011%0.111CC..Hα-helixtrans-64.9-44.9173.6-17269.9000111.4F528 V575 L578 R579 F582 V601 L602 S608 F609F528-L605 HydrophobicContact CE1-CD1 4.31Å; F528-L605 HydrophobicContact CZ-CD1 3.64Å; F528-L605 HydrophobicContact CZ-CG 4.18Å; V575-L605 HydrophobicContact CG1-CB 4.42Å; V575-L605 HydrophobicContact CG1-CD1 3.95Å; L578-L605 HydrophobicContact CB-CD1 4.22Å; L578-L605 HydrophobicContact CB-CD2 3.8Å; L578-L605 HydrophobicContact CD1-CD2 4.15Å; R579-L605 HydrophobicContact CB-CD1 4.25Å; F582-L605 HydrophobicContact CD2-CD2 3.97Å; F582-L605 HydrophobicContact CE2-CD2 3.76Å; V601-L605 WeakPolarHBondContact O-CB 3.49Å; V601-L605 PolarHBondContact O-N 3.44Å; L602-L605 WeakPolarHBondContact O-CB 3.23Å; L602-L605 PolarHBondContact O-N 3.02Å; L605-S608 WeakPolarHBondContact O-CB 3.45Å; L605-S608 PolarHBondContact O-N 3.29Å; L605-F609 PolarHBondContact O-N 2.99Å
606I97Very high93.5Very high0 Ų021.7 Ų21.70%010%0.096CC..Hα-helixtrans-58.2-50.1173.6-67.2162.8000110.8L547 C550 I551 Y566 L602 S608 F609 L610 F662L547-I606 HydrophobicContact CD2-CG2 3.9Å; C550-I606 HydrophobicContact CB-CD1 3.61Å; C550-I606 HydrophobicContact CB-CG1 3.6Å; I551-I606 HydrophobicContact CG1-CD1 3.82Å; Y566-I606 HydrophobicContact CE1-CG2 4.42Å; L602-I606 WeakPolarHBondContact O-CG1 3.31Å; L602-I606 PolarHBondContact O-N 3.02Å; I606-S608 VanDerWaalsContact C-N 3.28Å; I606-S608 PolarHBondContact O-N 3.38Å; I606-F609 PolarHBondContact O-N 2.87Å; I606-L610 HydrophobicContact CG2-CD1 4.14Å; I606-L610 WeakPolarHBondContact O-CG 3.47Å; I606-L610 PolarHBondContact O-N 3.11Å; I606-L610 VanDerWaalsContact O-N 3.07Å; I606-F662 HydrophobicContact CG2-CD2 4.16Å; I606-F662 HydrophobicContact CG2-CE2 3.67Å; I606-F662 HydrophobicContact CG2-CZ 4.4Å
607K95.1Very high93.6Very high30 Ų3021.6 Ų21.613%0.1310%0.095CC..Hα-helixtrans-60.6-38.1176.2-72.7-175.6-63.5177.20112.2Y566 T603 S604 R611 T690Y566-K607 HydrophobicContact CD1-CD 4.21Å; Y566-K607 HydrophobicContact CD1-CG 4.08Å; Y566-K607 PolarHBondContact O-NZ 3.43Å; T603-K607 WeakPolarHBondContact O-CG 3.3Å; T603-K607 PolarHBondContact O-N 2.77Å; S604-K607 PolarHBondContact O-N 3.12Å; K607-R611 VanDerWaalsContact O-CB 3.26Å; K607-R611 WeakPolarHBondContact O-CB 3.38Å; K607-R611 PolarHBondContact O-N 3.38Å; K607-R611 PolarHBondContact O-NH1 2.67Å; K607-T690 HydrophobicContact CB-CG2 4.38Å
608S91.7Very high93.7Very high8 Ų811.4 Ų11.46%0.0566%0.057CC..Hα-helixtrans-64.7-44.9177.7-167.80000111.6S604 L605 I606 R611 Q612S604-S608 VanDerWaalsContact O-CB 3.26Å; S604-S608 WeakPolarHBondContact O-CB 3.45Å; S604-S608 PolarHBondContact O-N 3.01Å; L605-S608 WeakPolarHBondContact O-CB 3.45Å; L605-S608 PolarHBondContact O-N 3.29Å; I606-S608 VanDerWaalsContact C-N 3.28Å; I606-S608 PolarHBondContact O-N 3.38Å; S608-R611 PolarHBondContact O-N 2.84Å; S608-Q612 WeakPolarHBondContact O-CB 3.22Å; S608-Q612 VanDerWaalsContact O-CG 3.27Å; S608-Q612 WeakPolarHBondContact O-CG 3.17Å; S608-Q612 PolarHBondContact O-N 3.25Å; S608-Q612 PolarHBondContact OG-NE2 2.82Å
609F94.4Very high93.5Very high1 Ų19 Ų90%0.0044%0.044CC..Hα-helixtrans-58.4-54.3175.8171.5-104.9000111.4V527 F528 L532 L535 P544 L546 L547 L605 I606 R611 Q612 L613V527-F609 HydrophobicContact CG1-CD2 4.09Å; V527-F609 HydrophobicContact CG1-CE2 3.79Å; F528-F609 HydrophobicContact CD1-CB 4.25Å; F528-F609 HydrophobicContact CD1-CD2 4.38Å; F528-F609 VanDerWaalsContact CE1-CA 3.47Å; F528-F609 HydrophobicContact CE1-CB 3.63Å; F528-F609 HydrophobicContact CE1-CD2 4.36Å; F528-F609 HydrophobicContact CZ-CB 4Å; F528-F609 HydrophobicContact CZ-CD2 4.5Å; L532-F609 HydrophobicContact CD1-CZ 4.4Å; L535-F609 HydrophobicContact CD2-CE2 3.73Å; L535-F609 HydrophobicContact CD2-CZ 3.73Å; P544-F609 HydrophobicContact CB-CZ 4.18Å; P544-F609 HydrophobicContact CG-CE1 4.48Å; P544-F609 HydrophobicContact CG-CZ 4.03Å; L546-F609 HydrophobicContact CD1-CB 4.4Å; L546-F609 HydrophobicContact CD1-CD2 4.29Å; L546-F609 HydrophobicContact CD1-CG 4.42Å; L546-F609 HydrophobicContact CD2-CB 3.88Å; L546-F609 HydrophobicContact CD2-CD1 4.16Å; L546-F609 HydrophobicContact CD2-CG 3.93Å; L547-F609 HydrophobicContact CD1-CE1 4.12Å; L547-F609 HydrophobicContact CD2-CD1 3.88Å; L547-F609 HydrophobicContact CD2-CE1 4.16Å; L547-F609 HydrophobicContact CG-CD1 4.15Å; L547-F609 HydrophobicContact CG-CE1 3.93Å; L605-F609 PolarHBondContact O-N 2.99Å; I606-F609 PolarHBondContact O-N 2.87Å; F609-R611 VanDerWaalsContact C-N 3.35Å; F609-R611 PolarHBondContact O-N 2.63Å; F609-Q612 PolarHBondContact O-N 2.9Å; F609-Q612 VanDerWaalsContact O-N 3.12Å; F609-L613 HydrophobicContact CE1-CD2 4.36Å; F609-L613 HydrophobicContact CE2-CD2 4.18Å; F609-L613 HydrophobicContact CZ-CD2 3.94Å; F609-L613 PolarHBondContact O-N 2.72Å
610L94.6Very high93.1Very high0 Ų09.1 Ų9.10%04%0.044CC..Hα-helixtrans-64.2-35-177.5-66.3178.7000113.4L547 I606 L613 L617 F662 T690 L691L547-L610 HydrophobicContact CD1-CD2 4.4Å; L547-L610 HydrophobicContact CD2-CD2 4.32Å; L547-L610 HydrophobicContact CD2-CG 4.45Å; I606-L610 HydrophobicContact CG2-CD1 4.14Å; I606-L610 WeakPolarHBondContact O-CG 3.47Å; I606-L610 PolarHBondContact O-N 3.11Å; I606-L610 VanDerWaalsContact O-N 3.07Å; L610-L613 HydrophobicContact CD2-CD1 4Å; L610-L617 HydrophobicContact CD1-CD2 4.41Å; L610-L617 HydrophobicContact CD2-CD2 4.01Å; L610-F662 HydrophobicContact CD1-CD1 4.09Å; L610-F662 HydrophobicContact CD1-CD2 4.44Å; L610-F662 HydrophobicContact CD1-CE1 4.03Å; L610-F662 HydrophobicContact CD1-CE2 4.39Å; L610-F662 HydrophobicContact CD1-CG 4.3Å; L610-F662 HydrophobicContact CD1-CZ 4.18Å; L610-T690 HydrophobicContact CB-CG2 3.54Å; L610-T690 HydrophobicContact CD1-CG2 4.38Å; L610-L691 HydrophobicContact CD1-CD2 4.12Å
611R90.2Very high92.6Very high55 Ų5511.9 Ų11.921%0.2086%0.056CC..Hα-helixtrans-71.2-30.4174.4-179.2171.962.7-90.20.4112.9E7 R9 K607 S608 F609E7-R611 IonicContact OE2-CZ 2.62Å; E7-R611 IonicContact OE2-NE 3.47Å; E7-R611 PolarHBondContact OE2-NE 2.73Å; E7-R611 IonicContact OE2-NH2 2.67Å; E7-R611 PolarHBondContact OE2-NH2 3.13Å; R9-R611 PolarHBondContact NH1-O 2.7Å; K607-R611 VanDerWaalsContact O-CB 3.26Å; K607-R611 WeakPolarHBondContact O-CB 3.38Å; K607-R611 PolarHBondContact O-N 3.38Å; K607-R611 PolarHBondContact O-NH1 2.67Å; S608-R611 PolarHBondContact O-N 2.84Å; F609-R611 VanDerWaalsContact C-N 3.35Å; F609-R611 PolarHBondContact O-N 2.63Å
612Q87.6Confident92.4Very high15 Ų1512.1 Ų12.17%0.076%0.058CC..Hα-helixtrans-83.4-6.8178.6-73.9-17668.900114.2I10 W11 G529 S608 F609I10-Q612 HydrophobicContact CD1-CG 4.43Å; W11-Q612 VanDerWaalsContact CD1-O 3.24Å; W11-Q612 PolarHBondContact NE1-O 3.08Å; G529-Q612 WeakPolarHBondContact CA-O 3.13Å; S608-Q612 WeakPolarHBondContact O-CB 3.22Å; S608-Q612 VanDerWaalsContact O-CG 3.27Å; S608-Q612 WeakPolarHBondContact O-CG 3.17Å; S608-Q612 PolarHBondContact O-N 3.25Å; S608-Q612 PolarHBondContact OG-NE2 2.82Å; F609-Q612 PolarHBondContact O-N 2.9Å; F609-Q612 VanDerWaalsContact O-N 3.12Å
613L89.4Confident92Very high2 Ų212.5 Ų12.51%0.016%0.06CC..  trans-61.2130.2170.8-62.5178.3000110.3R9 L532 F609 L610 V615R9-L613 PolarHBondContact NH1-O 3.4Å; L532-L613 HydrophobicContact CB-CD1 4.32Å; L532-L613 HydrophobicContact CB-CD2 4.2Å; L532-L613 HydrophobicContact CD2-CD1 4.16Å; F609-L613 HydrophobicContact CE1-CD2 4.36Å; F609-L613 HydrophobicContact CE2-CD2 4.18Å; F609-L613 HydrophobicContact CZ-CD2 3.94Å; F609-L613 PolarHBondContact O-N 2.72Å; L610-L613 HydrophobicContact CD2-CD1 4Å; L613-V615 VanDerWaalsContact CB-O 3.24Å; L613-V615 WeakPolarHBondContact CB-O 3.38Å
614P85.9Confident91.7Very high2 Ų215.2 Ų15.21%0.0138%0.077CC..SBendtrans-62-44.6177.6-21.531.1000112.9W11 W480 G529 V530 Y620W11-P614 HydrophobicContact CB-CB 4.21Å; W11-P614 HydrophobicContact CD2-CG 4.44Å; W11-P614 HydrophobicContact CG-CB 3.98Å; W11-P614 HydrophobicContact CG-CG 4.11Å; W480-P614 HydrophobicContact CD2-CB 3.6Å; W480-P614 HydrophobicContact CD2-CG 4.37Å; W480-P614 HydrophobicContact CE3-CB 3.38Å; W480-P614 HydrophobicContact CE3-CG 3.91Å; W480-P614 HydrophobicContact CG-CB 4.45Å; W480-P614 HydrophobicContact CH2-CB 3.56Å; W480-P614 HydrophobicContact CZ2-CB 3.71Å; W480-P614 HydrophobicContact CZ3-CB 3.37Å; W480-P614 HydrophobicContact CZ3-CG 4.11Å; G529-P614 WeakPolarHBondContact O-CG 3.44Å; V530-P614 WeakPolarHBondContact O-CD 3.27Å; P614-Y620 PolarHBondContact O-OH 3.3Å
615V87.7Confident91.5Very high6 Ų617 Ų174%0.0369%0.085CC..SBendtrans-94.3125.7166.5-1720000108.4W480 L613 T619 Y620W480-V615 HydrophobicContact CH2-CG2 3.74Å; W480-V615 HydrophobicContact CZ2-CG2 4.49Å; L613-V615 VanDerWaalsContact CB-O 3.24Å; L613-V615 WeakPolarHBondContact CB-O 3.38Å; V615-T619 HydrophobicContact CG1-CG2 3.84Å; V615-Y620 HydrophobicContact CG1-CD2 4.25Å
616P92.3Very high91.4Very high1 Ų117 Ų171%0.0069%0.085CC..  trans-59156.9176.721.7-31.4000112I618 Y620 H655P616-I618 VanDerWaalsContact C-N 3.26Å; P616-I618 WeakPolarHBondContact CB-O 3.38Å; P616-I618 WeakPolarHBondContact CG-O 3.16Å; P616-I618 CarbonylContact O-C 3.49Å; P616-I618 PolarHBondContact O-N 3.46Å; P616-Y620 WeakPolarHBondContact CD-OH 3.31Å; P616-Y620 HydrophobicContact CG-CD1 4.16Å; P616-Y620 HydrophobicContact CG-CD2 4.36Å; P616-Y620 HydrophobicContact CG-CE1 3.89Å; P616-Y620 HydrophobicContact CG-CE2 4.1Å; P616-Y620 HydrophobicContact CG-CG 4.36Å; P616-H655 PolarHBondContact O-CE1 3.45Å; P616-H655 PolarHBondContact O-ND1 2.89Å; P616-H655 VanDerWaalsContact O-ND1 3.15Å
617L95.1Very high91.2Very high0 Ų017 Ų170%09%0.085CC..SBendtrans-59.3-41.1-177.3-172.760.2000111L532 L610 H655 L659 L691L532-L617 HydrophobicContact CD2-CD1 3.47Å; L532-L617 VanDerWaalsContact CD2-CD1 3.47Å; L610-L617 HydrophobicContact CD1-CD2 4.41Å; L610-L617 HydrophobicContact CD2-CD2 4.01Å; L617-H655 PolarHBondContact O-ND1 2.77Å; L617-L659 HydrophobicContact CD1-CB 4.41Å; L617-L659 HydrophobicContact CD2-CB 4.13Å; L617-L659 HydrophobicContact CD2-CD1 3.77Å; L617-L659 HydrophobicContact CG-CB 4.04Å; L617-L659 HydrophobicContact CG-CD1 3.98Å; L617-L691 HydrophobicContact CB-CD2 4.27Å; L617-L691 HydrophobicContact CD2-CD2 3.73Å; L617-L691 PolarHBondContact N-O 2.86Å
618I94.4Very high91.1Very high1 Ų120 Ų201%0.00510%0.103CC..SBendtrans-90.6111.7161.8-63.4169.1000107.1P616 L626 L659 L691 L692 I713 L716P616-I618 VanDerWaalsContact C-N 3.26Å; P616-I618 WeakPolarHBondContact CB-O 3.38Å; P616-I618 WeakPolarHBondContact CG-O 3.16Å; P616-I618 CarbonylContact O-C 3.49Å; P616-I618 PolarHBondContact O-N 3.46Å; I618-L626 HydrophobicContact CG2-CD1 3.45Å; I618-L626 VanDerWaalsContact CG2-CD1 3.45Å; I618-L659 HydrophobicContact CD1-CD1 4.32Å; I618-L659 HydrophobicContact CG1-CD1 4Å; I618-L659 HydrophobicContact CG1-CD2 3.94Å; I618-L691 PolarHBondContact N-O 3.27Å; I618-L692 HydrophobicContact CB-CD2 3.86Å; I618-L692 HydrophobicContact CD1-CD2 3.74Å; I618-L692 HydrophobicContact CD1-CG 4.33Å; I618-L692 HydrophobicContact CG1-CD2 4.4Å; I618-L692 HydrophobicContact CG2-CD2 3.74Å; I618-I713 HydrophobicContact CD1-CD1 3.7Å; I618-L716 HydrophobicContact CD1-CD2 4.05Å
619T91.9Very high91.2Very high10 Ų1020 Ų206%0.06110%0.102CC..  trans-70.1159.6-165.465.20000114.2V615 E621 A622 Y623 L651 P652V615-T619 HydrophobicContact CG1-CG2 3.84Å; T619-E621 PolarHBondContact O-N 3.44Å; T619-E621 PolarHBondContact OG1-N 3.4Å; T619-A622 PolarHBondContact O-N 2.96Å; T619-A622 VanDerWaalsContact O-N 3.14Å; T619-A622 PolarHBondContact OG1-N 2.81Å; T619-Y623 WeakPolarHBondContact O-CB 3.4Å; T619-Y623 PolarHBondContact O-N 2.71Å; T619-L651 HydrophobicContact CG2-CD2 4Å; T619-P652 HydrophobicContact CG2-CG 4.41Å
620Y86.8Confident91.3Very high21 Ų2120.2 Ų20.28%0.08210%0.104CC..THydrogen-bonded Turntrans-59.9-8.9170.2-58.2-66.1000114.6N13 Y16 R20 P614 V615 P616N13-Y620 HydrophobicContact CB-CE2 3.94Å; N13-Y620 VanDerWaalsContact CG-OH 3.3Å; N13-Y620 PolarHBondContact ND2-OH 2.68Å; Y16-Y620 AromaticContact CD1-CD2 3.91Å; Y16-Y620 HydrophobicContact CD1-CD2 3.91Å; Y16-Y620 HydrophobicContact CD1-CE2 4.47Å; Y16-Y620 AromaticContact CE1-CD2 3.74Å; Y16-Y620 HydrophobicContact CE1-CD2 3.74Å; Y16-Y620 HydrophobicContact CE1-CG 4.46Å; R20-Y620 PolarHBondContact NH1-O 3.4Å; P614-Y620 PolarHBondContact O-OH 3.3Å; V615-Y620 HydrophobicContact CG1-CD2 4.25Å; P616-Y620 WeakPolarHBondContact CD-OH 3.31Å; P616-Y620 HydrophobicContact CG-CD1 4.16Å; P616-Y620 HydrophobicContact CG-CD2 4.36Å; P616-Y620 HydrophobicContact CG-CE1 3.89Å; P616-Y620 HydrophobicContact CG-CE2 4.1Å; P616-Y620 HydrophobicContact CG-CG 4.36Å
621E86.8Confident91.2Very high80 Ų8023.4 Ų23.437%0.37412%0.116SC..THydrogen-bonded Turntrans-89-44.4172.8-168.2-162.1134.800111.6T619 P624 R650T619-E621 PolarHBondContact O-N 3.44Å; T619-E621 PolarHBondContact OG1-N 3.4Å; E621-P624 WeakPolarHBondContact O-CD 3.12Å; E621-R650 IonicContact OE1-CZ 3.48Å; E621-R650 IonicContact OE1-NE 2.77Å; E621-R650 IonicContact OE1-NH2 3.36Å; E621-R650 PolarHBondContact OE1-NH2 3.32Å
622A91.9Very high91.3Very high5 Ų522.5 Ų22.54%0.04112%0.115CC..Hα-helixtrans-77-26.9179.700000113T619 D625 L626 I647 L651T619-A622 PolarHBondContact O-N 2.96Å; T619-A622 VanDerWaalsContact O-N 3.14Å; T619-A622 PolarHBondContact OG1-N 2.81Å; A622-D625 PolarHBondContact O-N 3.17Å; A622-L626 HydrophobicContact CB-CD1 3.88Å; A622-L626 HydrophobicContact CB-CG 4.33Å; A622-L626 WeakPolarHBondContact O-CB 3.44Å; A622-L626 WeakPolarHBondContact O-CG 3.08Å; A622-L626 PolarHBondContact O-N 3.14Å; A622-I647 HydrophobicContact CB-CG2 4Å; A622-L651 HydrophobicContact CB-CD2 3.75Å
623Y90.4Very high91.5Very high9 Ų928.6 Ų28.64%0.03515%0.148CC..Hα-helixtrans-52.6-48.6-173176.9-91.5000115.2T619 L627 L692 S694 E709T619-Y623 WeakPolarHBondContact O-CB 3.4Å; T619-Y623 PolarHBondContact O-N 2.71Å; Y623-L627 HydrophobicContact CD1-CD1 4.39Å; Y623-L627 HydrophobicContact CE1-CD1 3.69Å; Y623-L627 HydrophobicContact CE2-CD1 3.88Å; Y623-L627 HydrophobicContact CE2-CG 4.43Å; Y623-L627 PolarHBondContact O-N 3.19Å; Y623-L627 WeakPolarHBondContact OH-CD1 3.26Å; Y623-L692 HydrophobicContact CD2-CB 4.41Å; Y623-L692 HydrophobicContact CD2-CD2 3.83Å; Y623-L692 HydrophobicContact CE2-CB 4.23Å; Y623-L692 HydrophobicContact CE2-CD2 4.21Å; Y623-S694 WeakPolarHBondContact OH-CA 3.42Å; Y623-E709 HydrophobicContact CE2-CG 4.29Å; Y623-E709 VanDerWaalsContact CE2-OE1 3.26Å; Y623-E709 WeakPolarHBondContact CE2-OE1 3.26Å; Y623-E709 PolarHBondContact OH-OE1 3.12Å
624P89Confident91.8Very high57 Ų5738.4 Ų38.437%0.3719%0.185SC..Hα-helixtrans-64.6-55178.8-18.333.2000111.3E621 L626 L627 D628E621-P624 WeakPolarHBondContact O-CD 3.12Å; P624-L626 PolarHBondContact O-N 3.15Å; P624-L626 VanDerWaalsContact O-N 3.15Å; P624-L627 PolarHBondContact O-N 2.87Å; P624-D628 PolarHBondContact O-N 3.1Å
625D92.6Very high92.1Very high54 Ų5440.2 Ų40.229%0.28919%0.194SC..Hα-helixtrans-50.9-40.8178.9-58.417.9000112.5A622 V629 I647 R650A622-D625 PolarHBondContact O-N 3.17Å; D625-V629 WeakPolarHBondContact O-CG2 3.12Å; D625-V629 PolarHBondContact O-N 3.36Å; D625-I647 HydrophobicContact CB-CD1 3.86Å; D625-I647 HydrophobicContact CB-CG1 4.11Å; D625-I647 HydrophobicContact CB-CG2 3.94Å; D625-I647 WeakPolarHBondContact O-CD1 3.44Å; D625-R650 IonicContact OD2-CZ 3.38Å; D625-R650 IonicContact OD2-NH1 3.98Å; D625-R650 PolarHBondContact OD2-NH1 3.02Å; D625-R650 IonicContact OD2-NH2 2.76Å; D625-R650 PolarHBondContact OD2-NH2 3.39Å
626L94.5Very high92.5Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-69.4-42.2178.1-69.7169.9000112.5I618 A622 P624 V630 L644 I647 F648 L712I618-L626 HydrophobicContact CG2-CD1 3.45Å; I618-L626 VanDerWaalsContact CG2-CD1 3.45Å; A622-L626 HydrophobicContact CB-CD1 3.88Å; A622-L626 HydrophobicContact CB-CG 4.33Å; A622-L626 WeakPolarHBondContact O-CB 3.44Å; A622-L626 WeakPolarHBondContact O-CG 3.08Å; A622-L626 PolarHBondContact O-N 3.14Å; P624-L626 PolarHBondContact O-N 3.15Å; P624-L626 VanDerWaalsContact O-N 3.15Å; L626-V630 WeakPolarHBondContact O-CG2 3.32Å; L626-V630 PolarHBondContact O-N 3.04Å; L626-L644 HydrophobicContact CB-CD2 4.32Å; L626-L644 HydrophobicContact CD2-CD2 3.52Å; L626-I647 HydrophobicContact CD2-CB 3.84Å; L626-I647 HydrophobicContact CD2-CD1 4.25Å; L626-I647 HydrophobicContact CD2-CG2 3.67Å; L626-I647 HydrophobicContact CG-CB 4.45Å; L626-I647 HydrophobicContact CG-CG2 3.74Å; L626-F648 HydrophobicContact CD1-CD1 4.4Å; L626-F648 HydrophobicContact CD1-CE1 3.74Å; L626-F648 HydrophobicContact CD1-CZ 4.13Å; L626-F648 HydrophobicContact CD2-CD1 4.27Å; L626-F648 HydrophobicContact CD2-CD2 4.34Å; L626-F648 HydrophobicContact CD2-CE1 3.89Å; L626-F648 HydrophobicContact CD2-CE2 3.95Å; L626-F648 HydrophobicContact CD2-CG 4.47Å; L626-F648 HydrophobicContact CD2-CZ 3.71Å; L626-L712 HydrophobicContact CB-CD1 4.08Å; L626-L712 HydrophobicContact CB-CD2 3.83Å; L626-L712 HydrophobicContact CD1-CD2 4.31Å; L626-L712 HydrophobicContact CD2-CD1 4.41Å
627L92.2Very high92.5Very high0 Ų049 Ų490%024%0.238CC..Hα-helixtrans-71.7-35.7179.2-73.3-171.9000112.5Y623 P624 V629 V630 R631 F708 E709 L712Y623-L627 HydrophobicContact CD1-CD1 4.39Å; Y623-L627 HydrophobicContact CE1-CD1 3.69Å; Y623-L627 HydrophobicContact CE2-CD1 3.88Å; Y623-L627 HydrophobicContact CE2-CG 4.43Å; Y623-L627 PolarHBondContact O-N 3.19Å; Y623-L627 WeakPolarHBondContact OH-CD1 3.26Å; P624-L627 PolarHBondContact O-N 2.87Å; L627-V629 VanDerWaalsContact C-N 3.32Å; L627-V629 PolarHBondContact O-N 2.76Å; L627-V630 PolarHBondContact O-N 3.1Å; L627-V630 VanDerWaalsContact O-N 3.16Å; L627-R631 WeakPolarHBondContact O-CB 3.27Å; L627-R631 VanDerWaalsContact O-CG 3.24Å; L627-R631 WeakPolarHBondContact O-CG 3.43Å; L627-R631 PolarHBondContact O-N 3.49Å; L627-F708 HydrophobicContact CD2-CB 3.98Å; L627-E709 HydrophobicContact CD1-CG 4.43Å; L627-E709 HydrophobicContact CD2-CG 4.22Å; L627-L712 HydrophobicContact CD2-CD2 4.13Å
628D93Very high92.5Very high92 Ų9253.7 Ų53.749%0.49226%0.26SS..Hα-helixtrans-66.5-35.8179.4-67.3-15.5000111.3P624 R631 D632P624-D628 PolarHBondContact O-N 3.1Å; D628-R631 PolarHBondContact O-N 2.86Å; D628-R631 IonicContact OD1-NH1 3.45Å; D628-D632 PolarHBondContact O-N 3.26Å; D628-D632 VanDerWaalsContact O-N 3.13Å
629V95.6Very high92.6Very high8 Ų857.8 Ų57.85%0.04828%0.279CS..Hα-helixtrans-65.1-39.6170.31720000112.4D625 L627 L635 K640 M643 L644 I647D625-V629 WeakPolarHBondContact O-CG2 3.12Å; D625-V629 PolarHBondContact O-N 3.36Å; L627-V629 VanDerWaalsContact C-N 3.32Å; L627-V629 PolarHBondContact O-N 2.76Å; V629-L635 HydrophobicContact CG1-CD1 4.33Å; V629-K640 HydrophobicContact CG1-CB 4.06Å; V629-K640 HydrophobicContact CG1-CG 4.22Å; V629-K640 WeakPolarHBondContact O-CD 3.46Å; V629-K640 VanDerWaalsContact O-CE 3.3Å; V629-K640 WeakPolarHBondContact O-CE 3.19Å; V629-M643 HydrophobicContact CB-CB 4.5Å; V629-M643 HydrophobicContact CG1-CB 3.83Å; V629-M643 HydrophobicContact CG2-CB 3.75Å; V629-M643 HydrophobicContact CG2-CE 3.92Å; V629-M643 HydrophobicContact CG2-SD 4.4Å; V629-L644 HydrophobicContact CB-CD2 4.18Å; V629-L644 HydrophobicContact CG1-CD2 4Å; V629-L644 HydrophobicContact CG1-CG 3.87Å; V629-I647 HydrophobicContact CG2-CD1 3.82Å
630V94.4Very high92.8Very high7 Ų758.6 Ų58.64%0.04228%0.282CS..Hα-helixtrans-69-37.6178.2171.70000111.3L626 L627 K640 L644 F708 T711 L712 L715L626-V630 WeakPolarHBondContact O-CG2 3.32Å; L626-V630 PolarHBondContact O-N 3.04Å; L627-V630 PolarHBondContact O-N 3.1Å; L627-V630 VanDerWaalsContact O-N 3.16Å; V630-K640 PolarHBondContact O-NZ 3.2Å; V630-L644 HydrophobicContact CG2-CD2 4.3Å; V630-F708 HydrophobicContact CG1-CB 4.27Å; V630-F708 HydrophobicContact CG1-CD1 4.24Å; V630-T711 HydrophobicContact CG1-CG2 3.88Å; V630-L712 HydrophobicContact CG2-CB 4.07Å; V630-L712 HydrophobicContact CG2-CD1 3.93Å; V630-L715 HydrophobicContact CG2-CD1 4.48Å
631R92.6Very high93.2Very high67 Ų6757.8 Ų57.825%0.25328%0.279SS..Hα-helixtrans-72.6-21178.3-75.6168.7174.6149.11.9115.3L627 D628 D633 Y696 F708L627-R631 WeakPolarHBondContact O-CB 3.27Å; L627-R631 VanDerWaalsContact O-CG 3.24Å; L627-R631 WeakPolarHBondContact O-CG 3.43Å; L627-R631 PolarHBondContact O-N 3.49Å; D628-R631 PolarHBondContact O-N 2.86Å; D628-R631 IonicContact OD1-NH1 3.45Å; R631-D633 PolarHBondContact O-N 2.71Å; R631-Y696 PolarHBondContact NH1-OH 3.45Å; R631-Y696 PolarHBondContact NH2-OH 2.93Å; R631-F708 HydrophobicContact CB-CE1 4.45Å; R631-F708 HydrophobicContact CG-CD1 3.64Å; R631-F708 HydrophobicContact CG-CD2 3.98Å; R631-F708 HydrophobicContact CG-CE1 3.7Å; R631-F708 HydrophobicContact CG-CE2 4.04Å; R631-F708 HydrophobicContact CG-CG 3.78Å; R631-F708 HydrophobicContact CG-CZ 3.91Å
632D94.1Very high93.7Very high35 Ų3556.6 Ų56.619%0.18728%0.275CS..  trans-77.591.1-176.4-165.1-16.8000111.4D628 R634 L635 K640D628-D632 PolarHBondContact O-N 3.26Å; D628-D632 VanDerWaalsContact O-N 3.13Å; D632-R634 PolarHBondContact O-N 3.39Å; D632-R634 WeakPolarHBondContact OD1-CB 3.35Å; D632-R634 WeakPolarHBondContact OD1-CG 3.48Å; D632-R634 IonicContact OD1-CZ 2.71Å; D632-R634 PolarHBondContact OD1-N 2.86Å; D632-R634 IonicContact OD1-NE 2.7Å; D632-R634 PolarHBondContact OD1-NE 3.42Å; D632-R634 IonicContact OD1-NH2 3.09Å; D632-R634 PolarHBondContact OD1-NH2 3.24Å; D632-R634 IonicContact OD2-CZ 2.69Å; D632-R634 IonicContact OD2-NE 2.79Å; D632-R634 PolarHBondContact OD2-NE 2.95Å; D632-R634 IonicContact OD2-NH2 3.82Å; D632-R634 PolarHBondContact OD2-NH2 2.66Å; D632-L635 HydrophobicContact CB-CD1 3.91Å; D632-L635 HydrophobicContact CB-CG 4Å; D632-L635 PolarHBondContact O-N 3.38Å; D632-L635 VanDerWaalsContact O-N 3.1Å; D632-K640 WeakPolarHBondContact O-CE 3.31Å; D632-K640 PolarHBondContact O-NZ 2.93Å
633D91.8Very high93.9Very high144 Ų14460 Ų6077%0.7729%0.291SS*.THydrogen-bonded Turntrans-64.9-3.6178.7-66.8-31.6000114.4R631 K640R631-D633 PolarHBondContact O-N 2.71Å; D633-K640 IonicContact OD1-NZ 3.71Å
634R94.4Very high94.2Very high208 Ų20859.6 Ų59.679%0.78529%0.289SS*.THydrogen-bonded Turntrans-81.7-21.5172.5-53.4169.5-66.7-167.21.9112.5D632D632-R634 PolarHBondContact O-N 3.39Å; D632-R634 WeakPolarHBondContact OD1-CB 3.35Å; D632-R634 WeakPolarHBondContact OD1-CG 3.48Å; D632-R634 IonicContact OD1-CZ 2.71Å; D632-R634 PolarHBondContact OD1-N 2.86Å; D632-R634 IonicContact OD1-NE 2.7Å; D632-R634 PolarHBondContact OD1-NE 3.42Å; D632-R634 IonicContact OD1-NH2 3.09Å; D632-R634 PolarHBondContact OD1-NH2 3.24Å; D632-R634 IonicContact OD2-CZ 2.69Å; D632-R634 IonicContact OD2-NE 2.79Å; D632-R634 PolarHBondContact OD2-NE 2.95Å; D632-R634 IonicContact OD2-NH2 3.82Å; D632-R634 PolarHBondContact OD2-NH2 2.66Å
635L93.8Very high94.6Very high39 Ų3961.2 Ų61.220%0.20429%0.288CS..SBendtrans-86132.6-179-59178000111V629 D632 E639 K640 M643V629-L635 HydrophobicContact CG1-CD1 4.33Å; D632-L635 HydrophobicContact CB-CD1 3.91Å; D632-L635 HydrophobicContact CB-CG 4Å; D632-L635 PolarHBondContact O-N 3.38Å; D632-L635 VanDerWaalsContact O-N 3.1Å; L635-E639 HydrophobicContact CB-CB 4.16Å; L635-E639 HydrophobicContact CD2-CB 4.25Å; L635-K640 HydrophobicContact CB-CD 4.38Å; L635-K640 HydrophobicContact CB-CG 3.61Å; L635-K640 HydrophobicContact CD1-CG 4.12Å; L635-K640 WeakPolarHBondContact O-CE 3.45Å; L635-M643 HydrophobicContact CD1-SD 3.63Å; L635-M643 HydrophobicContact CD2-SD 4.3Å
636N94.5Very high94.7Very high83 Ų8365.1 Ų65.144%0.44430%0.302SS..  trans-72.9165.3169.676.565.9000111.6Q638 E639 K640N636-Q638 VanDerWaalsContact C-N 3.29Å; N636-Q638 PolarHBondContact O-N 2.98Å; N636-Q638 WeakPolarHBondContact OD1-CB 3.48Å; N636-Q638 PolarHBondContact OD1-N 3.02Å; N636-E639 PolarHBondContact N-OE2 3.31Å; N636-E639 WeakPolarHBondContact ND2-CG 3.49Å; N636-E639 PolarHBondContact ND2-OE1 3.13Å; N636-E639 PolarHBondContact ND2-OE2 3.09Å; N636-E639 WeakPolarHBondContact O-CB 3.34Å; N636-E639 PolarHBondContact O-N 3.31Å; N636-E639 VanDerWaalsContact O-N 3.08Å; N636-E639 PolarHBondContact OD1-N 2.86Å; N636-E639 VanDerWaalsContact OD1-N 3.14Å; N636-K640 PolarHBondContact O-N 3.07Å
637E92.7Very high94.8Very high109 Ų10966 Ų6651%0.50931%0.307SS..Hα-helixtrans-57.9-38.5-174.7-169.5174.2148.900112.8K640 L641 L715 H719E637-K640 PolarHBondContact O-N 3.33Å; E637-L641 HydrophobicContact CG-CD1 4.31Å; E637-L641 WeakPolarHBondContact O-CB 3.37Å; E637-L641 VanDerWaalsContact O-CG 3.24Å; E637-L641 WeakPolarHBondContact O-CG 3.47Å; E637-L641 PolarHBondContact O-N 3.2Å; E637-L715 HydrophobicContact CG-CD2 4.32Å; E637-H719 IonicContact OE1-CD2 3.82Å; E637-H719 IonicContact OE1-CE1 3.91Å; E637-H719 IonicContact OE1-NE2 3.87Å; E637-H719 PolarHBondContact OE1-NE2 3.45Å
638Q94.8Very high95Very high99 Ų9966 Ų6646%0.46331%0.307SS..Hα-helixtrans-69-37.5177.7-173.561.66000112.2N636 L641 D642N636-Q638 VanDerWaalsContact C-N 3.29Å; N636-Q638 PolarHBondContact O-N 2.98Å; N636-Q638 WeakPolarHBondContact OD1-CB 3.48Å; N636-Q638 PolarHBondContact OD1-N 3.02Å; Q638-L641 PolarHBondContact O-N 3.33Å; Q638-D642 PolarHBondContact NE2-OD1 2.9Å; Q638-D642 WeakPolarHBondContact O-CB 3.23Å; Q638-D642 PolarHBondContact O-N 3.38Å
639E96.4Very high95Very high87 Ų8764.3 Ų64.341%0.40731%0.306SS..Hα-helixtrans-64.6-43173.8-72.3167.5156.400111.4L635 N636 D642 M643L635-E639 HydrophobicContact CB-CB 4.16Å; L635-E639 HydrophobicContact CD2-CB 4.25Å; N636-E639 PolarHBondContact N-OE2 3.31Å; N636-E639 WeakPolarHBondContact ND2-CG 3.49Å; N636-E639 PolarHBondContact ND2-OE1 3.13Å; N636-E639 PolarHBondContact ND2-OE2 3.09Å; N636-E639 WeakPolarHBondContact O-CB 3.34Å; N636-E639 PolarHBondContact O-N 3.31Å; N636-E639 VanDerWaalsContact O-N 3.08Å; N636-E639 PolarHBondContact OD1-N 2.86Å; N636-E639 VanDerWaalsContact OD1-N 3.14Å; E639-D642 PolarHBondContact O-N 2.78Å; E639-M643 WeakPolarHBondContact O-CG 3.32Å; E639-M643 PolarHBondContact O-N 3.08Å
640K96Very high94.9Very high27 Ų2769.9 Ų69.912%0.11733%0.326CS..Hα-helixtrans-58.4-50.1172.6-68-169.9176.9-174.10110.3V629 V630 D632 D633 L635 N636 E637 D642 M643 L644V629-K640 HydrophobicContact CG1-CB 4.06Å; V629-K640 HydrophobicContact CG1-CG 4.22Å; V629-K640 WeakPolarHBondContact O-CD 3.46Å; V629-K640 VanDerWaalsContact O-CE 3.3Å; V629-K640 WeakPolarHBondContact O-CE 3.19Å; V630-K640 PolarHBondContact O-NZ 3.2Å; D632-K640 WeakPolarHBondContact O-CE 3.31Å; D632-K640 PolarHBondContact O-NZ 2.93Å; D633-K640 IonicContact OD1-NZ 3.71Å; L635-K640 HydrophobicContact CB-CD 4.38Å; L635-K640 HydrophobicContact CB-CG 3.61Å; L635-K640 HydrophobicContact CD1-CG 4.12Å; L635-K640 WeakPolarHBondContact O-CE 3.45Å; N636-K640 PolarHBondContact O-N 3.07Å; E637-K640 PolarHBondContact O-N 3.33Å; K640-D642 VanDerWaalsContact C-N 3.35Å; K640-D642 PolarHBondContact O-N 3.46Å; K640-M643 PolarHBondContact O-N 2.84Å; K640-L644 WeakPolarHBondContact O-CB 3.44Å; K640-L644 WeakPolarHBondContact O-CG 3.43Å; K640-L644 PolarHBondContact O-N 3.29Å
641L96.7Very high94.9Very high4 Ų469.7 Ų69.72%0.02133%0.325CS..Hα-helixtrans-59.1-41.7177.6-69.3172.3000112.9E637 Q638 M643 R645 H719 Y722 L723E637-L641 HydrophobicContact CG-CD1 4.31Å; E637-L641 WeakPolarHBondContact O-CB 3.37Å; E637-L641 VanDerWaalsContact O-CG 3.24Å; E637-L641 WeakPolarHBondContact O-CG 3.47Å; E637-L641 PolarHBondContact O-N 3.2Å; Q638-L641 PolarHBondContact O-N 3.33Å; L641-M643 VanDerWaalsContact C-N 3.35Å; L641-M643 PolarHBondContact O-N 2.91Å; L641-R645 WeakPolarHBondContact O-CB 3.29Å; L641-R645 PolarHBondContact O-N 3.06Å; L641-H719 HydrophobicContact CD1-CB 4.41Å; L641-H719 HydrophobicContact CD2-CB 3.71Å; L641-Y722 HydrophobicContact CB-CD1 4.17Å; L641-Y722 HydrophobicContact CB-CE1 4.1Å; L641-L723 HydrophobicContact CB-CD2 4.41Å; L641-L723 HydrophobicContact CD2-CD1 3.83Å; L641-L723 HydrophobicContact CD2-CD2 3.85Å; L641-L723 HydrophobicContact CD2-CG 3.99Å; L641-L723 WeakPolarHBondContact O-CD2 3.23Å
642D96.4Very high94.9Very high54 Ų5468.9 Ų68.929%0.28933%0.328SS..Hα-helixtrans-68.4-30.9178.5-85.116.2000113.3Q638 E639 K640 K646 Y722Q638-D642 PolarHBondContact NE2-OD1 2.9Å; Q638-D642 WeakPolarHBondContact O-CB 3.23Å; Q638-D642 PolarHBondContact O-N 3.38Å; E639-D642 PolarHBondContact O-N 2.78Å; K640-D642 VanDerWaalsContact C-N 3.35Å; K640-D642 PolarHBondContact O-N 3.46Å; D642-K646 WeakPolarHBondContact O-CD 3.34Å; D642-K646 WeakPolarHBondContact O-CE 3.43Å; D642-K646 VanDerWaalsContact O-CG 3.25Å; D642-K646 WeakPolarHBondContact O-CG 3.38Å; D642-K646 PolarHBondContact O-NZ 2.84Å; D642-Y722 WeakPolarHBondContact OD1-CE1 3.48Å; D642-Y722 PolarHBondContact OD1-OH 3.33Å
643M96.3Very high94.9Very high77 Ų7768 Ų6838%0.37933%0.328SS..Hα-helixtrans-77.5-47.6173-69.2-176.772.800111.5V629 L635 E639 K640 L641 R645 K646 I647V629-M643 HydrophobicContact CB-CB 4.5Å; V629-M643 HydrophobicContact CG1-CB 3.83Å; V629-M643 HydrophobicContact CG2-CB 3.75Å; V629-M643 HydrophobicContact CG2-CE 3.92Å; V629-M643 HydrophobicContact CG2-SD 4.4Å; L635-M643 HydrophobicContact CD1-SD 3.63Å; L635-M643 HydrophobicContact CD2-SD 4.3Å; E639-M643 WeakPolarHBondContact O-CG 3.32Å; E639-M643 PolarHBondContact O-N 3.08Å; K640-M643 PolarHBondContact O-N 2.84Å; L641-M643 VanDerWaalsContact C-N 3.35Å; L641-M643 PolarHBondContact O-N 2.91Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 3.1Å; M643-K646 WeakPolarHBondContact O-CB 3.47Å; M643-K646 PolarHBondContact O-N 3.31Å; M643-I647 WeakPolarHBondContact O-CG1 3.47Å; M643-I647 PolarHBondContact O-N 3.1Å; M643-I647 VanDerWaalsContact O-N 3.12Å
644L97.4Very high95.1Very high1 Ų161.6 Ų61.61%0.00530%0.295CS..Hα-helixtrans-54-45.2174.8-69.6174.9000111.4L626 V629 V630 K640 K646 I647 F648 L712 L715 L723L626-L644 HydrophobicContact CB-CD2 4.32Å; L626-L644 HydrophobicContact CD2-CD2 3.52Å; V629-L644 HydrophobicContact CB-CD2 4.18Å; V629-L644 HydrophobicContact CG1-CD2 4Å; V629-L644 HydrophobicContact CG1-CG 3.87Å; V630-L644 HydrophobicContact CG2-CD2 4.3Å; K640-L644 WeakPolarHBondContact O-CB 3.44Å; K640-L644 WeakPolarHBondContact O-CG 3.43Å; K640-L644 PolarHBondContact O-N 3.29Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 3.28Å; L644-I647 PolarHBondContact O-N 3.19Å; L644-I647 VanDerWaalsContact O-N 3.11Å; L644-F648 HydrophobicContact CB-CD2 4.28Å; L644-F648 HydrophobicContact CB-CE2 4.02Å; L644-F648 WeakPolarHBondContact O-CD2 3.31Å; L644-F648 PolarHBondContact O-N 2.94Å; L644-L712 HydrophobicContact CD1-CD1 4.42Å; L644-L712 HydrophobicContact CD2-CD1 3.71Å; L644-L715 HydrophobicContact CD1-CD1 4.32Å; L644-L723 HydrophobicContact CB-CD2 3.77Å
645R96.2Very high95.2Very high91 Ų9151.8 Ų51.834%0.34326%0.258SS..Hα-helixtrans-58.9-38.3177-170.4177.6-174.7-155.3-1.4113.2L641 M643 A649 Y722 L723L641-R645 WeakPolarHBondContact O-CB 3.29Å; L641-R645 PolarHBondContact O-N 3.06Å; M643-R645 VanDerWaalsContact C-N 3.29Å; M643-R645 PolarHBondContact O-N 3.1Å; R645-A649 WeakPolarHBondContact O-CB 3.31Å; R645-A649 PolarHBondContact O-N 3.29Å; R645-A649 VanDerWaalsContact O-N 3.14Å; R645-Y722 VanDerWaalsContact CD-O 3.3Å; R645-Y722 WeakPolarHBondContact CD-O 3.45Å; R645-Y722 PolarHBondContact NE-O 3.3Å; R645-Y722 VanDerWaalsContact NH1-CE2 3.29Å; R645-Y722 VanDerWaalsContact NH1-CZ 3.32Å; R645-Y722 PolarHBondContact NH1-OH 3.25Å; R645-Y722 VanDerWaalsContact NH1-OH 3.12Å; R645-L723 HydrophobicContact CB-CD2 4.14Å
646K95.6Very high95.3Very high136 Ų13650.6 Ų50.659%0.59125%0.251SS*.Hα-helixtrans-68.6-35.8176.1-67.7159.4-165.9155.30111.6D642 M643 L644D642-K646 WeakPolarHBondContact O-CD 3.34Å; D642-K646 WeakPolarHBondContact O-CE 3.43Å; D642-K646 VanDerWaalsContact O-CG 3.25Å; D642-K646 WeakPolarHBondContact O-CG 3.38Å; D642-K646 PolarHBondContact O-NZ 2.84Å; M643-K646 WeakPolarHBondContact O-CB 3.47Å; M643-K646 PolarHBondContact O-N 3.31Å; L644-K646 VanDerWaalsContact C-N 3.32Å; L644-K646 PolarHBondContact O-N 3.28Å
647I96Very high95.4Very high17 Ų1747.3 Ų47.39%0.08723%0.232CC..Hα-helixtrans-74.8-45.2178.4-59.2156.6000110.8A622 D625 L626 V629 M643 L644 A649 R650A622-I647 HydrophobicContact CB-CG2 4Å; D625-I647 HydrophobicContact CB-CD1 3.86Å; D625-I647 HydrophobicContact CB-CG1 4.11Å; D625-I647 HydrophobicContact CB-CG2 3.94Å; D625-I647 WeakPolarHBondContact O-CD1 3.44Å; L626-I647 HydrophobicContact CD2-CB 3.84Å; L626-I647 HydrophobicContact CD2-CD1 4.25Å; L626-I647 HydrophobicContact CD2-CG2 3.67Å; L626-I647 HydrophobicContact CG-CB 4.45Å; L626-I647 HydrophobicContact CG-CG2 3.74Å; V629-I647 HydrophobicContact CG2-CD1 3.82Å; M643-I647 WeakPolarHBondContact O-CG1 3.47Å; M643-I647 PolarHBondContact O-N 3.1Å; M643-I647 VanDerWaalsContact O-N 3.12Å; L644-I647 PolarHBondContact O-N 3.19Å; L644-I647 VanDerWaalsContact O-N 3.11Å; I647-A649 PolarHBondContact O-N 3.04Å; I647-R650 WeakPolarHBondContact O-CB 3.29Å; I647-R650 PolarHBondContact O-N 3.2Å
648F95.8Very high95.6Very high0 Ų042.1 Ų42.10%021%0.208CC..Hα-helixtrans-58.9-34.4174.2-71.7-56.5000112.3L626 L644 R650 L651 Y656 L659 L712 L716 L723 L724L626-F648 HydrophobicContact CD1-CD1 4.4Å; L626-F648 HydrophobicContact CD1-CE1 3.74Å; L626-F648 HydrophobicContact CD1-CZ 4.13Å; L626-F648 HydrophobicContact CD2-CD1 4.27Å; L626-F648 HydrophobicContact CD2-CD2 4.34Å; L626-F648 HydrophobicContact CD2-CE1 3.89Å; L626-F648 HydrophobicContact CD2-CE2 3.95Å; L626-F648 HydrophobicContact CD2-CG 4.47Å; L626-F648 HydrophobicContact CD2-CZ 3.71Å; L644-F648 HydrophobicContact CB-CD2 4.28Å; L644-F648 HydrophobicContact CB-CE2 4.02Å; L644-F648 WeakPolarHBondContact O-CD2 3.31Å; L644-F648 PolarHBondContact O-N 2.94Å; F648-R650 PolarHBondContact O-N 3.23Å; F648-L651 HydrophobicContact CD1-CD1 3.89Å; F648-L651 WeakPolarHBondContact O-CB 3.49Å; F648-L651 PolarHBondContact O-N 3.23Å; F648-L651 VanDerWaalsContact O-N 3.08Å; F648-Y656 WeakPolarHBondContact O-CD2 3.1Å; F648-L659 HydrophobicContact CD1-CD2 4.06Å; F648-L659 HydrophobicContact CE1-CD2 4.06Å; F648-L712 HydrophobicContact CZ-CD1 4.37Å; F648-L716 HydrophobicContact CD2-CD1 4.35Å; F648-L716 HydrophobicContact CE1-CD1 4.3Å; F648-L716 HydrophobicContact CE1-CD2 4.18Å; F648-L716 HydrophobicContact CE2-CD1 3.69Å; F648-L716 HydrophobicContact CZ-CD1 3.67Å; F648-L716 HydrophobicContact CZ-CD2 3.9Å; F648-L716 HydrophobicContact CZ-CG 4.28Å; F648-L723 HydrophobicContact CD2-CB 4.32Å; F648-L723 HydrophobicContact CD2-CD2 4.38Å; F648-L723 HydrophobicContact CE2-CD1 4.45Å; F648-L723 HydrophobicContact CE2-CD2 4.45Å; F648-L724 HydrophobicContact CB-CD2 3.8Å; F648-L724 HydrophobicContact CD1-CD2 4.29Å; F648-L724 HydrophobicContact CD2-CD2 4.45Å; F648-L724 HydrophobicContact CG-CD2 3.95Å
649A93.9Very high95.8Very high58 Ų5837.4 Ų37.448%0.47919%0.186SC..THydrogen-bonded Turntrans-67.9-7.5174.600000115.1R645 I647R645-A649 WeakPolarHBondContact O-CB 3.31Å; R645-A649 PolarHBondContact O-N 3.29Å; R645-A649 VanDerWaalsContact O-N 3.14Å; I647-A649 PolarHBondContact O-N 3.04Å
650R93.8Very high95.8Very high124 Ų12435.8 Ų35.847%0.46818%0.176SC..THydrogen-bonded Turntrans-91.1-12.2169.5-74.9168.150.3-157.8-9.9113.8E621 D625 I647 F648E621-R650 IonicContact OE1-CZ 3.48Å; E621-R650 IonicContact OE1-NE 2.77Å; E621-R650 IonicContact OE1-NH2 3.36Å; E621-R650 PolarHBondContact OE1-NH2 3.32Å; D625-R650 IonicContact OD2-CZ 3.38Å; D625-R650 IonicContact OD2-NH1 3.98Å; D625-R650 PolarHBondContact OD2-NH1 3.02Å; D625-R650 IonicContact OD2-NH2 2.76Å; D625-R650 PolarHBondContact OD2-NH2 3.39Å; I647-R650 WeakPolarHBondContact O-CB 3.29Å; I647-R650 PolarHBondContact O-N 3.2Å; F648-R650 PolarHBondContact O-N 3.23Å
651L94.3Very high95.8Very high4 Ų437.1 Ų37.12%0.02118%0.181CC..SBendtrans-60.2143.6-179.1-72.7177.5000111.4T619 A622 F648 G653 H655 L659T619-L651 HydrophobicContact CG2-CD2 4Å; A622-L651 HydrophobicContact CB-CD2 3.75Å; F648-L651 HydrophobicContact CD1-CD1 3.89Å; F648-L651 WeakPolarHBondContact O-CB 3.49Å; F648-L651 PolarHBondContact O-N 3.23Å; F648-L651 VanDerWaalsContact O-N 3.08Å; L651-G653 PolarHBondContact O-N 2.94Å; L651-H655 HydrophobicContact CB-CB 4.47Å; L651-L659 HydrophobicContact CD1-CD2 3.79Å
652P93Very high95.9Very high50 Ų5036.9 Ų36.933%0.32518%0.18SC..  trans-54.3140.6171.9-24.433.3000111.1T619 A654 H655 Y656T619-P652 HydrophobicContact CG2-CG 4.41Å; P652-A654 VanDerWaalsContact C-N 3.28Å; P652-A654 PolarHBondContact O-N 3.23Å; P652-A654 VanDerWaalsContact O-N 3.08Å; P652-H655 WeakPolarHBondContact O-CA 3.48Å; P652-H655 WeakPolarHBondContact O-CB 3.38Å; P652-H655 PolarHBondContact O-N 3.38Å; P652-Y656 PolarHBondContact O-N 3.11Å
653G94.1Very high96Very high17 Ų1734.3 Ų34.318%0.17517%0.166CC..Hα-helixtrans-52.6-39.1-169.800000115.2L651 Y656 E657L651-G653 PolarHBondContact O-N 2.94Å; G653-Y656 PolarHBondContact O-N 3.14Å; G653-E657 WeakPolarHBondContact O-CB 3.28Å; G653-E657 WeakPolarHBondContact O-CG 3.42Å; G653-E657 PolarHBondContact O-N 3.27Å
654A94.6Very high96Very high9 Ų932.2 Ų32.27%0.07416%0.157CC..Hα-helixtrans-66.3-35.6175.900000113.3L532 T533 A536 P652 S658L532-A654 HydrophobicContact CG-CB 4.32Å; T533-A654 HydrophobicContact CG2-CB 4.5Å; A536-A654 HydrophobicContact CB-CB 3.67Å; P652-A654 VanDerWaalsContact C-N 3.28Å; P652-A654 PolarHBondContact O-N 3.23Å; P652-A654 VanDerWaalsContact O-N 3.08Å; A654-S658 WeakPolarHBondContact O-CB 3.48Å; A654-S658 PolarHBondContact O-N 3.17Å; A654-S658 VanDerWaalsContact O-N 3.15Å; A654-S658 PolarHBondContact O-OG 2.84Å
655H96.3Very high96Very high2 Ų232.2 Ų32.21%0.00916%0.156CC..Hα-helixtrans-71-47.4173.3-74-107.9000110.8L532 P616 L617 L651 P652 S658 L659L532-H655 HydrophobicContact CD2-CB 4.47Å; P616-H655 PolarHBondContact O-CE1 3.45Å; P616-H655 PolarHBondContact O-ND1 2.89Å; P616-H655 VanDerWaalsContact O-ND1 3.15Å; L617-H655 PolarHBondContact O-ND1 2.77Å; L651-H655 HydrophobicContact CB-CB 4.47Å; P652-H655 WeakPolarHBondContact O-CA 3.48Å; P652-H655 WeakPolarHBondContact O-CB 3.38Å; P652-H655 PolarHBondContact O-N 3.38Å; H655-S658 PolarHBondContact O-N 3.04Å; H655-L659 WeakPolarHBondContact O-CB 3.49Å; H655-L659 PolarHBondContact O-N 2.75Å
656Y97.3Very high96.1Very high14 Ų1427.9 Ų27.96%0.05514%0.14CC..Hα-helixtrans-58.3-51.2178.4179.9-91.6000111.9F648 P652 G653 L659 R660 L724 P725 W730F648-Y656 WeakPolarHBondContact O-CD2 3.1Å; P652-Y656 PolarHBondContact O-N 3.11Å; G653-Y656 PolarHBondContact O-N 3.14Å; Y656-L659 PolarHBondContact O-N 2.81Å; Y656-R660 VanDerWaalsContact O-CB 3.24Å; Y656-R660 WeakPolarHBondContact O-CB 3.37Å; Y656-R660 PolarHBondContact O-N 3.45Å; Y656-L724 HydrophobicContact CD2-CD2 4.07Å; Y656-L724 HydrophobicContact CE2-CD2 3.67Å; Y656-P725 WeakPolarHBondContact OH-CD 3.41Å; Y656-P725 PolarHBondContact OH-O 3.16Å; Y656-W730 AromaticContact CD1-NE1 3.85Å
657E96.4Very high96.2Very high13 Ų1323.7 Ų23.76%0.06112%0.123CC..Hα-helixtrans-69.2-38.3-178.1-68.9-58.5146.800112.6V543 G653 R660 Y661V543-E657 HydrophobicContact CG2-CB 3.95Å; G653-E657 WeakPolarHBondContact O-CB 3.28Å; G653-E657 WeakPolarHBondContact O-CG 3.42Å; G653-E657 PolarHBondContact O-N 3.27Å; E657-R660 PolarHBondContact O-N 2.87Å; E657-R660 IonicContact OE1-NE 3.71Å; E657-R660 IonicContact OE2-CZ 3.95Å; E657-R660 IonicContact OE2-NE 3.67Å; E657-R660 PolarHBondContact OE2-NE 3.03Å; E657-R660 IonicContact OE2-NH2 2.74Å; E657-R660 PolarHBondContact OE2-NH2 2.8Å; E657-Y661 WeakPolarHBondContact O-CB 3.45Å; E657-Y661 PolarHBondContact O-N 3.01Å
658S97.3Very high96.3Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-69.4-38.1176.3-60.50000112.2P544 A654 H655 F662P544-S658 WeakPolarHBondContact CD-OG 3.28Å; A654-S658 WeakPolarHBondContact O-CB 3.48Å; A654-S658 PolarHBondContact O-N 3.17Å; A654-S658 VanDerWaalsContact O-N 3.15Å; A654-S658 PolarHBondContact O-OG 2.84Å; H655-S658 PolarHBondContact O-N 3.04Å; S658-F662 WeakPolarHBondContact O-CB 3.46Å; S658-F662 PolarHBondContact O-N 3.27Å
659L97.4Very high96.4Very high0 Ų027 Ų270%013%0.134CC..Hα-helixtrans-64.7-46.7172.6-174.668.2000110.7L617 I618 F648 L651 H655 Y656 Y661 F662 I663 L716 L724L617-L659 HydrophobicContact CD1-CB 4.41Å; L617-L659 HydrophobicContact CD2-CB 4.13Å; L617-L659 HydrophobicContact CD2-CD1 3.77Å; L617-L659 HydrophobicContact CG-CB 4.04Å; L617-L659 HydrophobicContact CG-CD1 3.98Å; I618-L659 HydrophobicContact CD1-CD1 4.32Å; I618-L659 HydrophobicContact CG1-CD1 4Å; I618-L659 HydrophobicContact CG1-CD2 3.94Å; F648-L659 HydrophobicContact CD1-CD2 4.06Å; F648-L659 HydrophobicContact CE1-CD2 4.06Å; L651-L659 HydrophobicContact CD1-CD2 3.79Å; H655-L659 WeakPolarHBondContact O-CB 3.49Å; H655-L659 PolarHBondContact O-N 2.75Å; Y656-L659 PolarHBondContact O-N 2.81Å; L659-Y661 PolarHBondContact O-N 3.11Å; L659-F662 PolarHBondContact O-N 3.31Å; L659-I663 HydrophobicContact CD1-CD1 4.26Å; L659-I663 HydrophobicContact CD1-CG1 3.75Å; L659-I663 HydrophobicContact CG-CG1 4.09Å; L659-I663 WeakPolarHBondContact O-CB 3.18Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.44Å; L659-I663 PolarHBondContact O-N 3.4Å; L659-L716 HydrophobicContact CD1-CD2 4.26Å; L659-L716 HydrophobicContact CD2-CD2 4.34Å; L659-L724 HydrophobicContact CB-CD1 4.47Å; L659-L724 HydrophobicContact CD2-CD1 4.04Å; L659-L724 HydrophobicContact CD2-CD2 4.34Å; L659-L724 HydrophobicContact CG-CD1 3.82Å
660R96.9Very high96.5Very high53 Ų5324.6 Ų24.620%0.211%0.114CC..Hα-helixtrans-57.7-47.2176-173.4179.171.6759.7111.2Y656 E657 N664 L724 S726Y656-R660 VanDerWaalsContact O-CB 3.24Å; Y656-R660 WeakPolarHBondContact O-CB 3.37Å; Y656-R660 PolarHBondContact O-N 3.45Å; E657-R660 PolarHBondContact O-N 2.87Å; E657-R660 IonicContact OE1-NE 3.71Å; E657-R660 IonicContact OE2-CZ 3.95Å; E657-R660 IonicContact OE2-NE 3.67Å; E657-R660 PolarHBondContact OE2-NE 3.03Å; E657-R660 IonicContact OE2-NH2 2.74Å; E657-R660 PolarHBondContact OE2-NH2 2.8Å; R660-N664 WeakPolarHBondContact O-CB 3.5Å; R660-N664 PolarHBondContact O-N 3.05Å; R660-N664 VanDerWaalsContact O-N 3.15Å; R660-N664 PolarHBondContact O-ND2 2.89Å; R660-L724 HydrophobicContact CB-CB 4.12Å; R660-L724 HydrophobicContact CB-CD1 4.37Å; R660-L724 VanDerWaalsContact CD-O 3.23Å; R660-L724 WeakPolarHBondContact CD-O 3.46Å; R660-L724 HydrophobicContact CG-CB 3.95Å; R660-L724 WeakPolarHBondContact CG-O 3.4Å; R660-S726 PolarHBondContact NH1-OG 3.2Å
661Y97.2Very high96.7Very high55 Ų5524.3 Ų24.322%0.21612%0.118CC..Hα-helixtrans-64.2-46.5179.7-171.1-106.4000112.2V543 I548 I551 E657 L659 H665V543-Y661 HydrophobicContact CG1-CD1 3.86Å; V543-Y661 HydrophobicContact CG1-CG 4.15Å; I548-Y661 HydrophobicContact CG1-CE1 4.21Å; I551-Y661 HydrophobicContact CB-CE1 4.12Å; I551-Y661 HydrophobicContact CD1-CD1 3.86Å; I551-Y661 HydrophobicContact CD1-CE1 3.74Å; I551-Y661 HydrophobicContact CG1-CE1 4.49Å; I551-Y661 HydrophobicContact CG2-CE1 4.25Å; E657-Y661 WeakPolarHBondContact O-CB 3.45Å; E657-Y661 PolarHBondContact O-N 3.01Å; L659-Y661 PolarHBondContact O-N 3.11Å; Y661-H665 PolarHBondContact O-N 3.15Å
662F97.9Very high96.8Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-67.3-49.2179.7-177-116.5000112.8I551 Y566 I606 L610 S658 L659 N664 H665 I666 L687 L691I551-F662 HydrophobicContact CD1-CD2 4Å; Y566-F662 AromaticContact CE1-CE2 3.95Å; Y566-F662 HydrophobicContact CE1-CE2 3.95Å; Y566-F662 HydrophobicContact CE1-CZ 4.13Å; I606-F662 HydrophobicContact CG2-CD2 4.16Å; I606-F662 HydrophobicContact CG2-CE2 3.67Å; I606-F662 HydrophobicContact CG2-CZ 4.4Å; L610-F662 HydrophobicContact CD1-CD1 4.09Å; L610-F662 HydrophobicContact CD1-CD2 4.44Å; L610-F662 HydrophobicContact CD1-CE1 4.03Å; L610-F662 HydrophobicContact CD1-CE2 4.39Å; L610-F662 HydrophobicContact CD1-CG 4.3Å; L610-F662 HydrophobicContact CD1-CZ 4.18Å; S658-F662 WeakPolarHBondContact O-CB 3.46Å; S658-F662 PolarHBondContact O-N 3.27Å; L659-F662 PolarHBondContact O-N 3.31Å; F662-N664 VanDerWaalsContact C-N 3.34Å; F662-N664 PolarHBondContact O-N 3.06Å; F662-H665 WeakPolarHBondContact O-CB 3.1Å; F662-H665 PolarHBondContact O-N 3.16Å; F662-I666 HydrophobicContact CD1-CG1 4.24Å; F662-I666 HydrophobicContact CD2-CG1 4.39Å; F662-I666 HydrophobicContact CE1-CD1 4.33Å; F662-I666 HydrophobicContact CE1-CG1 3.85Å; F662-I666 HydrophobicContact CE2-CD1 3.88Å; F662-I666 HydrophobicContact CE2-CG1 4.01Å; F662-I666 HydrophobicContact CZ-CD1 3.72Å; F662-I666 HydrophobicContact CZ-CG1 3.74Å; F662-I666 WeakPolarHBondContact O-CG1 3.5Å; F662-I666 PolarHBondContact O-N 3.12Å; F662-L687 HydrophobicContact CE1-CD1 4.12Å; F662-L687 HydrophobicContact CE1-CD2 4.08Å; F662-L687 HydrophobicContact CZ-CD1 4.27Å; F662-L687 HydrophobicContact CZ-CD2 3.81Å; F662-L691 HydrophobicContact CD1-CD2 3.91Å; F662-L691 HydrophobicContact CE1-CD1 4.31Å; F662-L691 HydrophobicContact CE1-CD2 3.85Å; F662-L691 HydrophobicContact CE1-CG 4.44Å
663I97.8Very high97Very high0 Ų029.8 Ų29.80%014%0.138CC..Hα-helixtrans-65-36.7-177.6-63.8-65.6000111.6L659 H665 I666 H667 L691 L716 C720 L724L659-I663 HydrophobicContact CD1-CD1 4.26Å; L659-I663 HydrophobicContact CD1-CG1 3.75Å; L659-I663 HydrophobicContact CG-CG1 4.09Å; L659-I663 WeakPolarHBondContact O-CB 3.18Å; L659-I663 VanDerWaalsContact O-CG1 3.26Å; L659-I663 WeakPolarHBondContact O-CG1 3.44Å; L659-I663 PolarHBondContact O-N 3.4Å; I663-H665 VanDerWaalsContact C-N 3.25Å; I663-H665 PolarHBondContact O-N 2.97Å; I663-I666 PolarHBondContact O-N 3.47Å; I663-I666 VanDerWaalsContact O-N 3.12Å; I663-H667 PolarHBondContact O-N 3.42Å; I663-L691 HydrophobicContact CD1-CD1 4Å; I663-L716 HydrophobicContact CD1-CD2 4.09Å; I663-L716 HydrophobicContact CD1-CG 4.29Å; I663-L716 HydrophobicContact CG1-CD2 4.13Å; I663-L716 HydrophobicContact CG1-CG 4.21Å; I663-L716 HydrophobicContact CG2-CG 4.2Å; I663-L716 WeakPolarHBondContact CG2-O 3.28Å; I663-C720 HydrophobicContact CG2-CB 3.58Å; I663-L724 HydrophobicContact CB-CD1 4.38Å; I663-L724 HydrophobicContact CG1-CD1 4.44Å
664N97Very high97.2Very high33 Ų3335.6 Ų35.618%0.17617%0.165CC..Hα-helixtrans-66-26.6174.5-80.9-84000112.8R660 F662 R668R660-N664 WeakPolarHBondContact O-CB 3.5Å; R660-N664 PolarHBondContact O-N 3.05Å; R660-N664 VanDerWaalsContact O-N 3.15Å; R660-N664 PolarHBondContact O-ND2 2.89Å; F662-N664 VanDerWaalsContact C-N 3.34Å; F662-N664 PolarHBondContact O-N 3.06Å; N664-R668 PolarHBondContact O-NH1 3.4Å
665H97.6Very high97.3Very high0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-72.3-44.3168165.266.8000111.4I551 E555 Y566 Y661 F662 I663 H667 R668 V669I551-H665 HydrophobicContact CD1-CB 4.46Å; I551-H665 HydrophobicContact CG2-CB 3.76Å; E555-H665 IonicContact OE1-CE1 2.62Å; E555-H665 IonicContact OE1-CG 3.77Å; E555-H665 IonicContact OE1-ND1 3.59Å; E555-H665 PolarHBondContact OE1-ND1 2.91Å; Y566-H665 AromaticContact CE2-NE2 3.45Å; Y566-H665 WeakPolarHBondContact CE2-NE2 3.38Å; Y566-H665 AromaticContact CZ-CD2 3.97Å; Y566-H665 AromaticContact CZ-NE2 3.56Å; Y566-H665 PolarHBondContact OH-CD2 3.31Å; Y566-H665 PolarHBondContact OH-NE2 2.95Å; Y661-H665 PolarHBondContact O-N 3.15Å; F662-H665 WeakPolarHBondContact O-CB 3.1Å; F662-H665 PolarHBondContact O-N 3.16Å; I663-H665 VanDerWaalsContact C-N 3.25Å; I663-H665 PolarHBondContact O-N 2.97Å; H665-H667 VanDerWaalsContact C-N 3.27Å; H665-H667 PolarHBondContact O-N 3.44Å; H665-R668 WeakPolarHBondContact O-CA 3.31Å; H665-R668 WeakPolarHBondContact O-CB 3.45Å; H665-R668 PolarHBondContact O-N 2.82Å; H665-V669 PolarHBondContact O-N 2.89Å
666I98.1Very high97.3Very high0 Ų039 Ų390%019%0.185CC..Hα-helixtrans-62.4-32.4177.3-61.8-54.7000112.4Y566 F662 I663 V669 A670 L683 L687 I717Y566-I666 HydrophobicContact CD2-CD1 3.82Å; Y566-I666 HydrophobicContact CE1-CD1 4.34Å; Y566-I666 HydrophobicContact CE2-CD1 3.49Å; Y566-I666 VanDerWaalsContact CE2-CD1 3.49Å; Y566-I666 HydrophobicContact CG-CD1 4.38Å; F662-I666 HydrophobicContact CD1-CG1 4.24Å; F662-I666 HydrophobicContact CD2-CG1 4.39Å; F662-I666 HydrophobicContact CE1-CD1 4.33Å; F662-I666 HydrophobicContact CE1-CG1 3.85Å; F662-I666 HydrophobicContact CE2-CD1 3.88Å; F662-I666 HydrophobicContact CE2-CG1 4.01Å; F662-I666 HydrophobicContact CZ-CD1 3.72Å; F662-I666 HydrophobicContact CZ-CG1 3.74Å; F662-I666 WeakPolarHBondContact O-CG1 3.5Å; F662-I666 PolarHBondContact O-N 3.12Å; I663-I666 PolarHBondContact O-N 3.47Å; I663-I666 VanDerWaalsContact O-N 3.12Å; I666-V669 WeakPolarHBondContact O-CB 3.34Å; I666-V669 PolarHBondContact O-N 3.09Å; I666-A670 PolarHBondContact O-N 2.82Å; I666-L683 HydrophobicContact CG2-CB 4.13Å; I666-L683 HydrophobicContact CG2-CD1 4Å; I666-L683 HydrophobicContact CG2-CD2 4.34Å; I666-L683 HydrophobicContact CG2-CG 4.38Å; I666-L687 HydrophobicContact CB-CD1 4.37Å; I666-L687 HydrophobicContact CD1-CD1 3.88Å; I666-L687 HydrophobicContact CG1-CD1 3.75Å; I666-L687 HydrophobicContact CG2-CD1 3.72Å; I666-I717 HydrophobicContact CG2-CD1 3.63Å; I666-I717 HydrophobicContact CG2-CG1 3.81Å; I666-I717 HydrophobicContact CG2-CG2 4.31Å
667H97.5Very high97.3Very high49 Ų4943.3 Ų43.323%0.22721%0.207CC..Hα-helixtrans-58.4-48.1168.3-176.1-80.2000111.6I663 H665 V669 A670 E671 I717I663-H667 PolarHBondContact O-N 3.42Å; H665-H667 VanDerWaalsContact C-N 3.27Å; H665-H667 PolarHBondContact O-N 3.44Å; H667-V669 PolarHBondContact O-N 3.4Å; H667-A670 CarbonylContact O-C 3.59Å; H667-A670 WeakPolarHBondContact O-CA 3.32Å; H667-A670 WeakPolarHBondContact O-CB 3.47Å; H667-A670 PolarHBondContact O-N 3.44Å; H667-E671 IonicContact CE1-OE1 3.53Å; H667-E671 PolarHBondContact CE1-OE1 2.95Å; H667-E671 IonicContact CE1-OE2 3.76Å; H667-E671 PolarHBondContact CE1-OE2 2.71Å; H667-E671 IonicContact ND1-OE1 3.6Å; H667-E671 IonicContact ND1-OE2 3.6Å; H667-E671 PolarHBondContact ND1-OE2 2.71Å; H667-E671 WeakPolarHBondContact O-CG 3.29Å; H667-E671 PolarHBondContact O-N 3.06Å; H667-I717 PolarHBondContact CD2-O 2.99Å
668R97.4Very high97.3Very high85 Ų8542.7 Ų42.732%0.32120%0.204SC..Hα-helixtrans-64.2-24.9176.6-67.1-172.3-62.8-9013.3114E555 L560 N664 H665 E671E555-R668 VanDerWaalsContact CD-NH2 3.28Å; E555-R668 IonicContact OE1-CZ 3.74Å; E555-R668 IonicContact OE1-NE 2.82Å; E555-R668 PolarHBondContact OE1-NE 3.37Å; E555-R668 IonicContact OE1-NH2 2.75Å; E555-R668 PolarHBondContact OE1-NH2 3.02Å; E555-R668 IonicContact OE2-CZ 2.95Å; E555-R668 IonicContact OE2-NE 3.2Å; E555-R668 IonicContact OE2-NH2 3.21Å; E555-R668 PolarHBondContact OE2-NH2 3.32Å; L560-R668 HydrophobicContact CD1-CB 4.22Å; L560-R668 HydrophobicContact CD2-CB 4.5Å; N664-R668 PolarHBondContact O-NH1 3.4Å; H665-R668 WeakPolarHBondContact O-CA 3.31Å; H665-R668 WeakPolarHBondContact O-CB 3.45Å; H665-R668 PolarHBondContact O-N 2.82Å; R668-E671 VanDerWaalsContact CA-OE2 3.3Å; R668-E671 WeakPolarHBondContact CA-OE2 3.26Å
669V97.8Very high97.4Very high0 Ų044.9 Ų44.90%022%0.217CC..Hα-helixtrans-70.9-46168.5-178.40000110.3L560 L565 Y566 H665 I666 H667 E671 K672 N676 M678 L683L560-V669 HydrophobicContact CD2-CG2 3.68Å; L565-V669 HydrophobicContact CB-CG1 4.38Å; L565-V669 HydrophobicContact CD2-CB 4.5Å; L565-V669 HydrophobicContact CD2-CG1 3.92Å; L565-V669 HydrophobicContact CD2-CG2 3.69Å; Y566-V669 HydrophobicContact CE2-CG2 4.29Å; H665-V669 PolarHBondContact O-N 2.89Å; I666-V669 WeakPolarHBondContact O-CB 3.34Å; I666-V669 PolarHBondContact O-N 3.09Å; H667-V669 PolarHBondContact O-N 3.4Å; V669-E671 VanDerWaalsContact C-N 3.33Å; V669-E671 PolarHBondContact O-N 2.94Å; V669-K672 PolarHBondContact O-N 3.13Å; V669-N676 PolarHBondContact O-ND2 3.07Å; V669-M678 HydrophobicContact CG1-CB 4.36Å; V669-L683 HydrophobicContact CB-CD1 4.31Å; V669-L683 HydrophobicContact CG1-CD1 4.14Å; V669-L683 HydrophobicContact CG1-CD2 4.06Å
670A97.6Very high97.4Very high9 Ų946.2 Ų46.27%0.07423%0.225CC..Hα-helixtrans-63.9-3517800000113I666 H667 K672 Q673 T680 L683 I717I666-A670 PolarHBondContact O-N 2.82Å; H667-A670 CarbonylContact O-C 3.59Å; H667-A670 WeakPolarHBondContact O-CA 3.32Å; H667-A670 WeakPolarHBondContact O-CB 3.47Å; H667-A670 PolarHBondContact O-N 3.44Å; A670-K672 PolarHBondContact O-N 2.91Å; A670-Q673 WeakPolarHBondContact O-CB 3.28Å; A670-Q673 WeakPolarHBondContact O-CG 3.4Å; A670-Q673 PolarHBondContact O-N 3.41Å; A670-Q673 VanDerWaalsContact O-N 3.07Å; A670-T680 HydrophobicContact CB-CG2 3.66Å; A670-L683 HydrophobicContact CB-CD1 3.82Å; A670-I717 HydrophobicContact CB-CG2 4.37Å
671E97.2Very high97.4Very high117 Ų11745.3 Ų45.355%0.54723%0.229SC..THydrogen-bonded Turntrans-62-9.3171.9-71.7174.3116.400113.8H667 R668 V669H667-E671 IonicContact CE1-OE1 3.53Å; H667-E671 PolarHBondContact CE1-OE1 2.95Å; H667-E671 IonicContact CE1-OE2 3.76Å; H667-E671 PolarHBondContact CE1-OE2 2.71Å; H667-E671 IonicContact ND1-OE1 3.6Å; H667-E671 IonicContact ND1-OE2 3.6Å; H667-E671 PolarHBondContact ND1-OE2 2.71Å; H667-E671 WeakPolarHBondContact O-CG 3.29Å; H667-E671 PolarHBondContact O-N 3.06Å; R668-E671 VanDerWaalsContact CA-OE2 3.3Å; R668-E671 WeakPolarHBondContact CA-OE2 3.26Å; V669-E671 VanDerWaalsContact C-N 3.33Å; V669-E671 PolarHBondContact O-N 2.94Å
672K96.9Very high97.4Very high92 Ų9245.5 Ų45.540%0.423%0.234SC..THydrogen-bonded Turntrans-114.217175.9-63.7-60.1-173.2179.70113.6L560 V669 A670 D674 V675 N676L560-K672 HydrophobicContact CB-CG 4.13Å; V669-K672 PolarHBondContact O-N 3.13Å; A670-K672 PolarHBondContact O-N 2.91Å; K672-D674 PolarHBondContact O-N 3.38Å; K672-D674 VanDerWaalsContact O-N 3.09Å; K672-V675 PolarHBondContact O-N 3.43Å; K672-N676 WeakPolarHBondContact CB-ND2 3.38Å; K672-N676 PolarHBondContact O-N 2.76Å; K672-N676 PolarHBondContact O-ND2 2.76Å; K672-N676 PolarHBondContact O-OD1 2.64Å
673Q97Very high97.4Very high78 Ų7845.5 Ų45.536%0.36423%0.234SC..Hα-helixtrans-52.2-32.5-178.565.3-177.1-2.900114.5A670 V675 N676 M677A670-Q673 WeakPolarHBondContact O-CB 3.28Å; A670-Q673 WeakPolarHBondContact O-CG 3.4Å; A670-Q673 PolarHBondContact O-N 3.41Å; A670-Q673 VanDerWaalsContact O-N 3.07Å; Q673-V675 PolarHBondContact O-N 2.79Å; Q673-N676 VanDerWaalsContact CA-OD1 3.31Å; Q673-N676 WeakPolarHBondContact CA-OD1 3.42Å; Q673-M677 VanDerWaalsContact O-CA 3.27Å; Q673-M677 WeakPolarHBondContact O-CA 3.45Å; Q673-M677 PolarHBondContact O-N 2.92Å
674D97.3Very high97.3Very high139 Ų13945.5 Ų45.574%0.74323%0.234SC*.Hα-helixtrans-66.3-20-179.9-51.9-33.1000113.4K672K672-D674 PolarHBondContact O-N 3.38Å; K672-D674 VanDerWaalsContact O-N 3.09Å
675V97.1Very high97.1Very high83 Ų8348.1 Ų48.150%0.50325%0.247SC..Hα-helixtrans-108.8-44.7177.9-1750000110.7C561 K672 Q673C561-V675 HydrophobicContact CB-CG1 4.02Å; K672-V675 PolarHBondContact O-N 3.43Å; Q673-V675 PolarHBondContact O-N 2.79Å
676N96.7Very high97Very high0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-91.7-5.6-173.272.127.6000114.7L560 C562 E563 G564 V669 K672 Q673 M678L560-N676 WeakPolarHBondContact O-CB 3.49Å; L560-N676 PolarHBondContact O-ND2 2.83Å; C562-N676 WeakPolarHBondContact O-CB 3.46Å; E563-N676 CarbonylContact C-O 3.48Å; E563-N676 WeakPolarHBondContact CA-O 3.45Å; G564-N676 PolarHBondContact N-O 2.76Å; V669-N676 PolarHBondContact O-ND2 3.07Å; K672-N676 WeakPolarHBondContact CB-ND2 3.38Å; K672-N676 PolarHBondContact O-N 2.76Å; K672-N676 PolarHBondContact O-ND2 2.76Å; K672-N676 PolarHBondContact O-OD1 2.64Å; Q673-N676 VanDerWaalsContact CA-OD1 3.31Å; Q673-N676 WeakPolarHBondContact CA-OD1 3.42Å; N676-M678 PolarHBondContact O-N 2.94Å; N676-M678 WeakPolarHBondContact OD1-CA 3.18Å; N676-M678 WeakPolarHBondContact OD1-CB 3.44Å; N676-M678 PolarHBondContact OD1-N 3.37Å
677M97.1Very high96.8Very high103 Ų10350 Ų5051%0.50726%0.259SS..  trans6116-179.4-52.9-66168.200115.3E563 Q673 N682E563-M677 HydrophobicContact CG-CB 4.19Å; E563-M677 HydrophobicContact CG-CG 3.82Å; Q673-M677 VanDerWaalsContact O-CA 3.27Å; Q673-M677 WeakPolarHBondContact O-CA 3.45Å; Q673-M677 PolarHBondContact O-N 2.92Å; M677-N682 PolarHBondContact O-ND2 3.29Å
678M97.4Very high96.6Very high0 Ų047.8 Ų47.80%025%0.248CC..  trans-108.282.9-177.4-66.8-59.6-60.500111.6L565 R567 V669 N676 N682 L683 V686L565-M678 WeakPolarHBondContact O-CG 3.27Å; R567-M678 HydrophobicContact CB-CE 3.91Å; R567-M678 HydrophobicContact CB-SD 3.7Å; R567-M678 HydrophobicContact CG-SD 4.47Å; V669-M678 HydrophobicContact CG1-CB 4.36Å; N676-M678 PolarHBondContact O-N 2.94Å; N676-M678 WeakPolarHBondContact OD1-CA 3.18Å; N676-M678 WeakPolarHBondContact OD1-CB 3.44Å; N676-M678 PolarHBondContact OD1-N 3.37Å; M678-N682 HydrophobicContact CE-CB 3.84Å; M678-N682 HydrophobicContact SD-CB 4.19Å; M678-L683 HydrophobicContact CB-CD1 4.36Å; M678-L683 HydrophobicContact CB-CD2 4.11Å; M678-L683 HydrophobicContact CB-CG 4.07Å; M678-L683 HydrophobicContact CE-CD2 3.75Å; M678-L683 HydrophobicContact CE-CG 4.02Å; M678-L683 WeakPolarHBondContact O-CD1 3.21Å; M678-V686 HydrophobicContact CE-CG2 4.08Å
679T97.7Very high96.1Very high47 Ų4747.8 Ų47.829%0.28826%0.259SS..  trans-60.7163.6169.769.70000112A681 N682 L683T679-A681 VanDerWaalsContact C-N 3.27Å; T679-A681 PolarHBondContact O-N 3.26Å; T679-N682 PolarHBondContact O-N 3.42Å; T679-N682 VanDerWaalsContact O-N 3.11Å; T679-N682 WeakPolarHBondContact OG1-CB 3.46Å; T679-N682 PolarHBondContact OG1-N 3.44Å; T679-N682 VanDerWaalsContact OG1-N 3.1Å; T679-N682 PolarHBondContact OG1-OD1 3.02Å; T679-L683 WeakPolarHBondContact O-CG 3.41Å; T679-L683 PolarHBondContact O-N 3.37Å
680T97.6Very high95.8Very high27 Ų2748.1 Ų48.117%0.16626%0.262CS..Hα-helixtrans-55.4-39.6174.649.50000112.9A670 L683 A684 I717 K718A670-T680 HydrophobicContact CB-CG2 3.66Å; T680-L683 PolarHBondContact O-N 2.95Å; T680-A684 WeakPolarHBondContact O-CB 3.48Å; T680-A684 PolarHBondContact O-N 3.09Å; T680-I717 HydrophobicContact CG2-CG2 3.81Å; T680-K718 HydrophobicContact CG2-CG 4.15Å
681A96.8Very high95.6Very high34 Ų3447.7 Ų47.728%0.28126%0.258SS..Hα-helixtrans-67-43.3173.900000112.6T679 L683 A684 I685T679-A681 VanDerWaalsContact C-N 3.27Å; T679-A681 PolarHBondContact O-N 3.26Å; A681-L683 VanDerWaalsContact C-N 3.26Å; A681-L683 PolarHBondContact O-N 3.28Å; A681-A684 PolarHBondContact O-N 2.93Å; A681-I685 WeakPolarHBondContact O-CG1 3.38Å; A681-I685 PolarHBondContact O-N 3.21Å
682N97.2Very high95.3Very high60 Ų6042.2 Ų42.232%0.32123%0.233SC..Hα-helixtrans-60.4-38.4175.1-71.2-6.3000111.3M677 M678 T679 V686M677-N682 PolarHBondContact O-ND2 3.29Å; M678-N682 HydrophobicContact CE-CB 3.84Å; M678-N682 HydrophobicContact SD-CB 4.19Å; T679-N682 PolarHBondContact O-N 3.42Å; T679-N682 VanDerWaalsContact O-N 3.11Å; T679-N682 WeakPolarHBondContact OG1-CB 3.46Å; T679-N682 PolarHBondContact OG1-N 3.44Å; T679-N682 VanDerWaalsContact OG1-N 3.1Å; T679-N682 PolarHBondContact OG1-OD1 3.02Å; N682-V686 PolarHBondContact O-N 2.9Å
683L97.6Very high94.3Very high0 Ų039.2 Ų39.20%022%0.223CC..Hα-helixtrans-69.9-41175.9-70.5162.1000111.8I666 V669 A670 M678 T679 T680 A681 I685 V686 L687 I717I666-L683 HydrophobicContact CG2-CB 4.13Å; I666-L683 HydrophobicContact CG2-CD1 4Å; I666-L683 HydrophobicContact CG2-CD2 4.34Å; I666-L683 HydrophobicContact CG2-CG 4.38Å; V669-L683 HydrophobicContact CB-CD1 4.31Å; V669-L683 HydrophobicContact CG1-CD1 4.14Å; V669-L683 HydrophobicContact CG1-CD2 4.06Å; A670-L683 HydrophobicContact CB-CD1 3.82Å; M678-L683 HydrophobicContact CB-CD1 4.36Å; M678-L683 HydrophobicContact CB-CD2 4.11Å; M678-L683 HydrophobicContact CB-CG 4.07Å; M678-L683 HydrophobicContact CE-CD2 3.75Å; M678-L683 HydrophobicContact CE-CG 4.02Å; M678-L683 WeakPolarHBondContact O-CD1 3.21Å; T679-L683 WeakPolarHBondContact O-CG 3.41Å; T679-L683 PolarHBondContact O-N 3.37Å; T680-L683 PolarHBondContact O-N 2.95Å; A681-L683 VanDerWaalsContact C-N 3.26Å; A681-L683 PolarHBondContact O-N 3.28Å; L683-I685 PolarHBondContact O-N 2.79Å; L683-V686 PolarHBondContact O-N 3.04Å; L683-L687 VanDerWaalsContact O-CB 3.27Å; L683-L687 WeakPolarHBondContact O-CB 3.44Å; L683-L687 VanDerWaalsContact O-CG 3.23Å; L683-L687 WeakPolarHBondContact O-CG 3.31Å; L683-L687 PolarHBondContact O-N 3.43Å; L683-I717 HydrophobicContact CB-CD1 3.94Å
684A96.9Very high93Very high0 Ų038 Ų380%022%0.224CC..Hα-helixtrans-59.4-44.2176.100000112.3T680 A681 V686 L687 S688 H710 I713 E714T680-A684 WeakPolarHBondContact O-CB 3.48Å; T680-A684 PolarHBondContact O-N 3.09Å; A681-A684 PolarHBondContact O-N 2.93Å; A684-V686 PolarHBondContact O-N 3.25Å; A684-L687 PolarHBondContact O-N 3.33Å; A684-S688 WeakPolarHBondContact O-CB 3.5Å; A684-S688 PolarHBondContact O-N 3.23Å; A684-S688 PolarHBondContact O-OG 2.64Å; A684-H710 WeakPolarHBondContact CB-O 3.4Å; A684-I713 HydrophobicContact CB-CB 4.03Å; A684-I713 HydrophobicContact CB-CG2 3.98Å; A684-E714 HydrophobicContact CB-CB 4.15Å
685I93.5Very high91.3Very high88 Ų8835.1 Ų35.145%0.45121%0.214SC..Hα-helixtrans-59.8-46.5177.7-66161.8000111.6A681 L683A681-I685 WeakPolarHBondContact O-CG1 3.38Å; A681-I685 PolarHBondContact O-N 3.21Å; L683-I685 PolarHBondContact O-N 2.79Å
686V94.1Very high89.4Confident40 Ų4034.1 Ų34.124%0.24220%0.202CC..Hα-helixtrans-80.5-17.4-176.1-56.10000114R567 M678 N682 L683 A684R567-V686 HydrophobicContact CB-CG1 4.28Å; R567-V686 HydrophobicContact CG-CG1 4.42Å; M678-V686 HydrophobicContact CE-CG2 4.08Å; N682-V686 PolarHBondContact O-N 2.9Å; L683-V686 PolarHBondContact O-N 3.04Å; A684-V686 PolarHBondContact O-N 3.25Å
687L94.7Very high87.6Confident0 Ų040.7 Ų40.70%024%0.242CC..Hα-helixtrans-101.3-27.3-177.9-65.3177.3000114.4Y566 F662 I666 L683 A684 T690 L691Y566-L687 HydrophobicContact CD1-CD2 4.21Å; F662-L687 HydrophobicContact CE1-CD1 4.12Å; F662-L687 HydrophobicContact CE1-CD2 4.08Å; F662-L687 HydrophobicContact CZ-CD1 4.27Å; F662-L687 HydrophobicContact CZ-CD2 3.81Å; I666-L687 HydrophobicContact CB-CD1 4.37Å; I666-L687 HydrophobicContact CD1-CD1 3.88Å; I666-L687 HydrophobicContact CG1-CD1 3.75Å; I666-L687 HydrophobicContact CG2-CD1 3.72Å; L683-L687 VanDerWaalsContact O-CB 3.27Å; L683-L687 WeakPolarHBondContact O-CB 3.44Å; L683-L687 VanDerWaalsContact O-CG 3.23Å; L683-L687 WeakPolarHBondContact O-CG 3.31Å; L683-L687 PolarHBondContact O-N 3.43Å; A684-L687 PolarHBondContact O-N 3.33Å; L687-T690 WeakPolarHBondContact O-CA 3.5Å; L687-T690 WeakPolarHBondContact O-CB 3.48Å; L687-T690 PolarHBondContact O-N 2.91Å; L687-L691 HydrophobicContact CB-CD1 4.03Å; L687-L691 HydrophobicContact CB-CG 4.36Å; L687-L691 PolarHBondContact O-N 3.4Å
688S92.4Very high86.1Confident1 Ų138.7 Ų38.71%0.00723%0.233CC..Hα-helixtrans-55.2-47.5-175.5-62.40000113.4A684 T690 L691 L692 I713A684-S688 WeakPolarHBondContact O-CB 3.5Å; A684-S688 PolarHBondContact O-N 3.23Å; A684-S688 PolarHBondContact O-OG 2.64Å; S688-T690 PolarHBondContact O-N 3.2Å; S688-T690 VanDerWaalsContact O-N 3.07Å; S688-L691 PolarHBondContact O-N 2.74Å; S688-L692 WeakPolarHBondContact O-CB 3.28Å; S688-L692 PolarHBondContact O-N 2.75Å; S688-I713 WeakPolarHBondContact OG-CG1 3.34Å
689P87.7Confident84.7Confident85 Ų8543.9 Ų43.955%0.55227%0.267SS*.Hα-helixtrans-65.9-12.3176.3-2134.3000114.9
690T91.7Very high83.4Confident8 Ų848.3 Ų48.35%0.04929%0.288CS..Hα-helixtrans-93.9-42.2177.4-61.50000111.3R9 K607 L610 L687 S688R9-T690 PolarHBondContact NH2-O 3.48Å; K607-T690 HydrophobicContact CB-CG2 4.38Å; L610-T690 HydrophobicContact CB-CG2 3.54Å; L610-T690 HydrophobicContact CD1-CG2 4.38Å; L687-T690 WeakPolarHBondContact O-CA 3.5Å; L687-T690 WeakPolarHBondContact O-CB 3.48Å; L687-T690 PolarHBondContact O-N 2.91Å; S688-T690 PolarHBondContact O-N 3.2Å; S688-T690 VanDerWaalsContact O-N 3.07Å
691L93.8Very high82.2Confident0 Ų049.2 Ų49.20%030%0.295CS..Hα-helixtrans-83.5-35.2-175.2-65.3-179.5000113.7L610 L617 I618 F662 I663 L687 S688 I713L610-L691 HydrophobicContact CD1-CD2 4.12Å; L617-L691 HydrophobicContact CB-CD2 4.27Å; L617-L691 HydrophobicContact CD2-CD2 3.73Å; L617-L691 PolarHBondContact N-O 2.86Å; I618-L691 PolarHBondContact N-O 3.27Å; F662-L691 HydrophobicContact CD1-CD2 3.91Å; F662-L691 HydrophobicContact CE1-CD1 4.31Å; F662-L691 HydrophobicContact CE1-CD2 3.85Å; F662-L691 HydrophobicContact CE1-CG 4.44Å; I663-L691 HydrophobicContact CD1-CD1 4Å; L687-L691 HydrophobicContact CB-CD1 4.03Å; L687-L691 HydrophobicContact CB-CG 4.36Å; L687-L691 PolarHBondContact O-N 3.4Å; S688-L691 PolarHBondContact O-N 2.74Å; L691-I713 HydrophobicContact CB-CD1 4.39Å; L691-I713 HydrophobicContact CD1-CD1 3.94Å; L691-I713 HydrophobicContact CD1-CG2 4.39Å
692L90.1Very high81Confident2 Ų249.4 Ų49.41%0.0129%0.294CS..  trans-107.4173.8-176.2-60.6161000110.3R9 I618 Y623 S688 E709 L712 I713R9-L692 PolarHBondContact NH2-O 3.46Å; I618-L692 HydrophobicContact CB-CD2 3.86Å; I618-L692 HydrophobicContact CD1-CD2 3.74Å; I618-L692 HydrophobicContact CD1-CG 4.33Å; I618-L692 HydrophobicContact CG1-CD2 4.4Å; I618-L692 HydrophobicContact CG2-CD2 3.74Å; Y623-L692 HydrophobicContact CD2-CB 4.41Å; Y623-L692 HydrophobicContact CD2-CD2 3.83Å; Y623-L692 HydrophobicContact CE2-CB 4.23Å; Y623-L692 HydrophobicContact CE2-CD2 4.21Å; S688-L692 WeakPolarHBondContact O-CB 3.28Å; S688-L692 PolarHBondContact O-N 2.75Å; L692-E709 HydrophobicContact CD1-CB 3.67Å; L692-E709 HydrophobicContact CD1-CG 3.92Å; L692-L712 HydrophobicContact CD2-CD2 4.13Å; L692-I713 HydrophobicContact CD1-CD1 4.02Å; L692-I713 HydrophobicContact CD1-CG1 3.88Å; L692-I713 HydrophobicContact CG-CD1 4.31Å
693S76.7Confident80Confident28 Ų2852.6 Ų52.620%0.19631%0.31CS..  trans-148.6110168.1-1730000108.2
694S69.3Low79Confident54 Ų5454.7 Ų54.738%0.37833%0.328SS..  trans-60.6143.9175.750.40000111.7Y623Y623-S694 WeakPolarHBondContact OH-CA 3.42Å
695S60.6Low78.2Confident78 Ų7854.8 Ų54.855%0.54533%0.328SS..  trans-96.7-7.9172.150.80000112.8
696Y58.9Low77.9Confident61 Ų6152.6 Ų52.624%0.23932%0.319CS..  trans-64.2135.7-179.4-59.2-62.5000111.8R631 C702R631-Y696 PolarHBondContact NH1-OH 3.45Å; R631-Y696 PolarHBondContact NH2-OH 2.93Å; Y696-C702 WeakPolarHBondContact CB-SG 3.44Å
697T58.7Low77.7Confident138 Ų13855.9 Ų55.985%0.84734%0.335SS*.  trans-110.5-20.1179.551.40000112.6
698D65.5Low77.5Confident61 Ų6159.1 Ų59.133%0.32635%0.349SS..SBendtrans-94.3141175.366.4-68.9000111.5I700 S701 C702D698-I700 PolarHBondContact O-N 3.42Å; D698-S701 VanDerWaalsContact CG-OG 3.29Å; D698-S701 VanDerWaalsContact OD1-CB 3.27Å; D698-S701 WeakPolarHBondContact OD1-CB 3.44Å; D698-S701 PolarHBondContact OD1-OG 3.21Å; D698-S701 WeakPolarHBondContact OD2-CB 3.48Å; D698-S701 PolarHBondContact OD2-N 3.32Å; D698-S701 PolarHBondContact OD2-OG 3.44Å; D698-C702 WeakPolarHBondContact O-CB 3.48Å; D698-C702 PolarHBondContact O-N 2.76Å; D698-C702 VanDerWaalsContact O-N 3.1Å; D698-C702 PolarHBondContact O-SG 3.13Å
699P67.2Low77.5Confident110 Ų11059.4 Ų59.471%0.71435%0.35SS*.Hα-helixtrans-62.4-25.8-176-26.535.8000115.4C702 L703P699-C702 WeakPolarHBondContact O-CB 3.43Å; P699-L703 PolarHBondContact O-N 3.44Å; P699-L703 VanDerWaalsContact O-N 3.13Å
700I71.5Confident77.9Confident139 Ų13957.2 Ų57.271%0.71333%0.333SS*.Hα-helixtrans-78.6-48.8-174.7-58.9178.1000110.1D698 C702 L703 A704D698-I700 PolarHBondContact O-N 3.42Å; I700-C702 VanDerWaalsContact C-N 3.29Å; I700-C702 PolarHBondContact O-N 3.13Å; I700-L703 PolarHBondContact O-N 3.12Å; I700-A704 PolarHBondContact O-N 2.94Å
701S71.7Confident78Confident47 Ų4759.9 Ų59.933%0.32935%0.349SS..Hα-helixtrans-68.5-28.9174.8-49.90000112.1D698 G705D698-S701 VanDerWaalsContact CG-OG 3.29Å; D698-S701 VanDerWaalsContact OD1-CB 3.27Å; D698-S701 WeakPolarHBondContact OD1-CB 3.44Å; D698-S701 PolarHBondContact OD1-OG 3.21Å; D698-S701 WeakPolarHBondContact OD2-CB 3.48Å; D698-S701 PolarHBondContact OD2-N 3.32Å; D698-S701 PolarHBondContact OD2-OG 3.44Å; S701-G705 WeakPolarHBondContact O-CA 3.49Å; S701-G705 PolarHBondContact O-N 3.39Å
702C71.7Confident78.1Confident37 Ų3759.9 Ų59.925%0.2535%0.349CS..Hα-helixtrans-55.8-56165.1-79.10000111.4Y696 D698 P699 I700 G705 T706Y696-C702 WeakPolarHBondContact CB-SG 3.44Å; D698-C702 WeakPolarHBondContact O-CB 3.48Å; D698-C702 PolarHBondContact O-N 2.76Å; D698-C702 VanDerWaalsContact O-N 3.1Å; D698-C702 PolarHBondContact O-SG 3.13Å; P699-C702 WeakPolarHBondContact O-CB 3.43Å; I700-C702 VanDerWaalsContact C-N 3.29Å; I700-C702 PolarHBondContact O-N 3.13Å; C702-G705 PolarHBondContact O-N 3.45Å; C702-T706 PolarHBondContact O-N 3.12Å; C702-T706 PolarHBondContact O-OG1 3.23Å
703L75.6Confident78.4Confident127 Ų12759.8 Ų59.867%0.66535%0.349SS*.Hα-helixtrans-64.1-44.5-176.3-177.861.7000112.4P699 I700 T706P699-L703 PolarHBondContact O-N 3.44Å; P699-L703 VanDerWaalsContact O-N 3.13Å; I700-L703 PolarHBondContact O-N 3.12Å; L703-T706 PolarHBondContact O-N 2.99Å
704A76.2Confident79.4Confident45 Ų4560.8 Ų60.837%0.37235%0.35SS..Hα-helixtrans-65.2-41.6175.700000111.7I700 L707 F708I700-A704 PolarHBondContact O-N 2.94Å; A704-L707 PolarHBondContact O-N 2.92Å; A704-F708 WeakPolarHBondContact O-CD2 3.39Å
705G81.1Confident80.7Confident1 Ų159.1 Ų59.11%0.0134%0.337CS..Hα-helixtrans-57.7-47.7175.200000112.3S701 C702 L707 F708 E709S701-G705 WeakPolarHBondContact O-CA 3.49Å; S701-G705 PolarHBondContact O-N 3.39Å; C702-G705 PolarHBondContact O-N 3.45Å; G705-L707 PolarHBondContact O-N 3.34Å; G705-F708 PolarHBondContact O-N 3.47Å; G705-E709 WeakPolarHBondContact O-CG 3.41Å; G705-E709 PolarHBondContact O-N 3.5Å
706T86Confident82.4Confident43 Ų4355.4 Ų55.426%0.26431%0.311SS..Hα-helixtrans-61.3-27.1-178.4-69.90000114C702 L703 E709 H710C702-T706 PolarHBondContact O-N 3.12Å; C702-T706 PolarHBondContact O-OG1 3.23Å; L703-T706 PolarHBondContact O-N 2.99Å; T706-E709 WeakPolarHBondContact CA-OE2 3.1Å; T706-E709 PolarHBondContact O-N 3.05Å; T706-E709 PolarHBondContact OG1-OE2 3.24Å; T706-E709 VanDerWaalsContact OG1-OE2 3.07Å; T706-H710 WeakPolarHBondContact CG2-NE2 3.19Å; T706-H710 PolarHBondContact O-CD2 3.29Å; T706-H710 VanDerWaalsContact O-CD2 3.3Å; T706-H710 PolarHBondContact O-N 3.01Å
707L89.9Confident84.2Confident109 Ų10952.5 Ų52.557%0.57130%0.299SS*.Hα-helixtrans-64.5-46.9170.5-64179000111.8A704 G705 E709 H710 T711A704-L707 PolarHBondContact O-N 2.92Å; G705-L707 PolarHBondContact O-N 3.34Å; L707-E709 VanDerWaalsContact C-N 3.33Å; L707-E709 PolarHBondContact O-N 3.35Å; L707-H710 PolarHBondContact O-N 3.48Å; L707-T711 PolarHBondContact O-N 3.17Å; L707-T711 PolarHBondContact O-OG1 3.46Å
708F91.7Very high86Confident67 Ų6750.6 Ų50.629%0.29428%0.28SS..Hα-helixtrans-67.8-32.7176-57.6-71.5000112.4L627 V630 R631 A704 G705 T711 L712L627-F708 HydrophobicContact CD2-CB 3.98Å; V630-F708 HydrophobicContact CG1-CB 4.27Å; V630-F708 HydrophobicContact CG1-CD1 4.24Å; R631-F708 HydrophobicContact CB-CE1 4.45Å; R631-F708 HydrophobicContact CG-CD1 3.64Å; R631-F708 HydrophobicContact CG-CD2 3.98Å; R631-F708 HydrophobicContact CG-CE1 3.7Å; R631-F708 HydrophobicContact CG-CE2 4.04Å; R631-F708 HydrophobicContact CG-CG 3.78Å; R631-F708 HydrophobicContact CG-CZ 3.91Å; A704-F708 WeakPolarHBondContact O-CD2 3.39Å; G705-F708 PolarHBondContact O-N 3.47Å; F708-T711 PolarHBondContact O-N 3.22Å; F708-L712 WeakPolarHBondContact O-CB 3.29Å; F708-L712 PolarHBondContact O-N 2.92Å
709E92.9Very high87.5Confident7 Ų750.2 Ų50.23%0.03328%0.276CS..Hα-helixtrans-61.5-44.3171.4-66.8178150.500111.4Y623 L627 L692 G705 T706 L707 L712 I713Y623-E709 HydrophobicContact CE2-CG 4.29Å; Y623-E709 VanDerWaalsContact CE2-OE1 3.26Å; Y623-E709 WeakPolarHBondContact CE2-OE1 3.26Å; Y623-E709 PolarHBondContact OH-OE1 3.12Å; L627-E709 HydrophobicContact CD1-CG 4.43Å; L627-E709 HydrophobicContact CD2-CG 4.22Å; L692-E709 HydrophobicContact CD1-CB 3.67Å; L692-E709 HydrophobicContact CD1-CG 3.92Å; G705-E709 WeakPolarHBondContact O-CG 3.41Å; G705-E709 PolarHBondContact O-N 3.5Å; T706-E709 WeakPolarHBondContact CA-OE2 3.1Å; T706-E709 PolarHBondContact O-N 3.05Å; T706-E709 PolarHBondContact OG1-OE2 3.24Å; T706-E709 VanDerWaalsContact OG1-OE2 3.07Å; L707-E709 VanDerWaalsContact C-N 3.33Å; L707-E709 PolarHBondContact O-N 3.35Å; E709-L712 PolarHBondContact O-N 2.86Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 3.21Å
710H94.4Very high88.8Confident39 Ų3945 Ų4518%0.18124%0.242CC..Hα-helixtrans-61.7-46.9174.7-65.7171.7000111.4A684 T706 L707 L712 I713 E714A684-H710 WeakPolarHBondContact CB-O 3.4Å; T706-H710 WeakPolarHBondContact CG2-NE2 3.19Å; T706-H710 PolarHBondContact O-CD2 3.29Å; T706-H710 VanDerWaalsContact O-CD2 3.3Å; T706-H710 PolarHBondContact O-N 3.01Å; L707-H710 PolarHBondContact O-N 3.48Å; H710-L712 VanDerWaalsContact C-N 3.33Å; H710-L712 PolarHBondContact O-N 3.1Å; H710-I713 PolarHBondContact O-N 3.2Å; H710-E714 WeakPolarHBondContact O-CB 3.45Å; H710-E714 PolarHBondContact O-N 3.43Å
711T94.7Very high89.9Confident65 Ų6543.2 Ų43.240%0.39924%0.238SC..Hα-helixtrans-60.8-40.2176.8-54.80000112.3V630 L707 F708 E714 L715V630-T711 HydrophobicContact CG1-CG2 3.88Å; L707-T711 PolarHBondContact O-N 3.17Å; L707-T711 PolarHBondContact O-OG1 3.46Å; F708-T711 PolarHBondContact O-N 3.22Å; T711-E714 PolarHBondContact O-N 3.33Å; T711-L715 HydrophobicContact CG2-CD1 4.19Å; T711-L715 WeakPolarHBondContact O-CB 3.33Å; T711-L715 WeakPolarHBondContact O-CG 3.34Å; T711-L715 PolarHBondContact O-N 3.43Å
712L96.2Very high91Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-59.6-48175.3176.161.5000111.6L626 L627 V630 L644 F648 L692 F708 E709 H710 L716L626-L712 HydrophobicContact CB-CD1 4.08Å; L626-L712 HydrophobicContact CB-CD2 3.83Å; L626-L712 HydrophobicContact CD1-CD2 4.31Å; L626-L712 HydrophobicContact CD2-CD1 4.41Å; L627-L712 HydrophobicContact CD2-CD2 4.13Å; V630-L712 HydrophobicContact CG2-CB 4.07Å; V630-L712 HydrophobicContact CG2-CD1 3.93Å; L644-L712 HydrophobicContact CD1-CD1 4.42Å; L644-L712 HydrophobicContact CD2-CD1 3.71Å; F648-L712 HydrophobicContact CZ-CD1 4.37Å; L692-L712 HydrophobicContact CD2-CD2 4.13Å; F708-L712 WeakPolarHBondContact O-CB 3.29Å; F708-L712 PolarHBondContact O-N 2.92Å; E709-L712 PolarHBondContact O-N 2.86Å; H710-L712 VanDerWaalsContact C-N 3.33Å; H710-L712 PolarHBondContact O-N 3.1Å; L712-L716 VanDerWaalsContact O-CB 3.25Å; L712-L716 WeakPolarHBondContact O-CB 3.48Å; L712-L716 PolarHBondContact O-N 3.39Å
713I96.7Very high92.1Very high0 Ų042.9 Ų42.90%022%0.224CC..Hα-helixtrans-70.7-34.9179.1-61.2-53.7000111.5I618 A684 S688 L691 L692 E709 H710 L716 I717I618-I713 HydrophobicContact CD1-CD1 3.7Å; A684-I713 HydrophobicContact CB-CB 4.03Å; A684-I713 HydrophobicContact CB-CG2 3.98Å; S688-I713 WeakPolarHBondContact OG-CG1 3.34Å; L691-I713 HydrophobicContact CB-CD1 4.39Å; L691-I713 HydrophobicContact CD1-CD1 3.94Å; L691-I713 HydrophobicContact CD1-CG2 4.39Å; L692-I713 HydrophobicContact CD1-CD1 4.02Å; L692-I713 HydrophobicContact CD1-CG1 3.88Å; L692-I713 HydrophobicContact CG-CD1 4.31Å; E709-I713 WeakPolarHBondContact O-CG1 3.43Å; E709-I713 PolarHBondContact O-N 3.21Å; H710-I713 PolarHBondContact O-N 3.2Å; I713-L716 HydrophobicContact CD1-CD2 4.21Å; I713-L716 PolarHBondContact O-N 3.42Å; I713-I717 HydrophobicContact CG2-CD1 3.84Å; I713-I717 HydrophobicContact CG2-CG1 4.3Å; I713-I717 VanDerWaalsContact O-CG1 3.26Å; I713-I717 WeakPolarHBondContact O-CG1 3.35Å; I713-I717 PolarHBondContact O-N 3.11Å
714E96.8Very high93Very high49 Ų4936.9 Ų36.923%0.22919%0.193CC..Hα-helixtrans-65.1-45176.4-168.3-177.9151.700111.9A684 H710 T711 L716 I717 K718A684-E714 HydrophobicContact CB-CB 4.15Å; H710-E714 WeakPolarHBondContact O-CB 3.45Å; H710-E714 PolarHBondContact O-N 3.43Å; T711-E714 PolarHBondContact O-N 3.33Å; E714-L716 VanDerWaalsContact C-N 3.33Å; E714-I717 PolarHBondContact O-N 3.45Å; E714-K718 HydrophobicContact CG-CD 4.34Å; E714-K718 WeakPolarHBondContact O-CB 3.49Å; E714-K718 WeakPolarHBondContact O-CG 3.48Å; E714-K718 PolarHBondContact O-N 3.19Å; E714-K718 WeakPolarHBondContact OE1-CE 3.4Å; E714-K718 IonicContact OE1-NZ 2.84Å; E714-K718 PolarHBondContact OE1-NZ 3.45Å
715L96.6Very high93.7Very high18 Ų1835.8 Ų35.89%0.09418%0.182CC..Hα-helixtrans-60.9-42.2171.6-73.6170.3000111.5V630 E637 L644 T711 I717 K718 H719V630-L715 HydrophobicContact CG2-CD1 4.48Å; E637-L715 HydrophobicContact CG-CD2 4.32Å; L644-L715 HydrophobicContact CD1-CD1 4.32Å; T711-L715 HydrophobicContact CG2-CD1 4.19Å; T711-L715 WeakPolarHBondContact O-CB 3.33Å; T711-L715 WeakPolarHBondContact O-CG 3.34Å; T711-L715 PolarHBondContact O-N 3.43Å; L715-I717 VanDerWaalsContact C-N 3.34Å; L715-I717 PolarHBondContact O-N 3.37Å; L715-K718 PolarHBondContact O-N 3.41Å; L715-H719 WeakPolarHBondContact O-CB 3.49Å; L715-H719 PolarHBondContact O-N 3.49Å
716L96.7Very high93.5Very high0 Ų040.1 Ų40.10%021%0.212CC..Hα-helixtrans-64.3-36179.4-175.757.4000112.9I618 F648 L659 I663 L712 I713 E714 C720 L723 L724I618-L716 HydrophobicContact CD1-CD2 4.05Å; F648-L716 HydrophobicContact CD2-CD1 4.35Å; F648-L716 HydrophobicContact CE1-CD1 4.3Å; F648-L716 HydrophobicContact CE1-CD2 4.18Å; F648-L716 HydrophobicContact CE2-CD1 3.69Å; F648-L716 HydrophobicContact CZ-CD1 3.67Å; F648-L716 HydrophobicContact CZ-CD2 3.9Å; F648-L716 HydrophobicContact CZ-CG 4.28Å; L659-L716 HydrophobicContact CD1-CD2 4.26Å; L659-L716 HydrophobicContact CD2-CD2 4.34Å; I663-L716 HydrophobicContact CD1-CD2 4.09Å; I663-L716 HydrophobicContact CD1-CG 4.29Å; I663-L716 HydrophobicContact CG1-CD2 4.13Å; I663-L716 HydrophobicContact CG1-CG 4.21Å; I663-L716 HydrophobicContact CG2-CG 4.2Å; I663-L716 WeakPolarHBondContact CG2-O 3.28Å; L712-L716 VanDerWaalsContact O-CB 3.25Å; L712-L716 WeakPolarHBondContact O-CB 3.48Å; L712-L716 PolarHBondContact O-N 3.39Å; I713-L716 HydrophobicContact CD1-CD2 4.21Å; I713-L716 PolarHBondContact O-N 3.42Å; E714-L716 VanDerWaalsContact C-N 3.33Å; L716-C720 VanDerWaalsContact O-CA 3.31Å; L716-C720 WeakPolarHBondContact O-CA 3.32Å; L716-C720 VanDerWaalsContact O-CB 3.29Å; L716-C720 WeakPolarHBondContact O-CB 3.4Å; L716-C720 PolarHBondContact O-N 3.15Å; L716-L723 HydrophobicContact CD1-CB 4.2Å; L716-L723 HydrophobicContact CD1-CD1 4Å; L716-L724 HydrophobicContact CD1-CD1 3.89Å; L716-L724 HydrophobicContact CD1-CG 4.07Å
717I97.4Very high92.3Very high0 Ų042.3 Ų42.30%022%0.222CC..Hα-helixtrans-70.9-55.8172.9-64.1162.4000109.6I666 H667 A670 T680 L683 I713 E714 L715 H719 C720I666-I717 HydrophobicContact CG2-CD1 3.63Å; I666-I717 HydrophobicContact CG2-CG1 3.81Å; I666-I717 HydrophobicContact CG2-CG2 4.31Å; H667-I717 PolarHBondContact CD2-O 2.99Å; A670-I717 HydrophobicContact CB-CG2 4.37Å; T680-I717 HydrophobicContact CG2-CG2 3.81Å; L683-I717 HydrophobicContact CB-CD1 3.94Å; I713-I717 HydrophobicContact CG2-CD1 3.84Å; I713-I717 HydrophobicContact CG2-CG1 4.3Å; I713-I717 VanDerWaalsContact O-CG1 3.26Å; I713-I717 WeakPolarHBondContact O-CG1 3.35Å; I713-I717 PolarHBondContact O-N 3.11Å; E714-I717 PolarHBondContact O-N 3.45Å; L715-I717 VanDerWaalsContact C-N 3.34Å; L715-I717 PolarHBondContact O-N 3.37Å; I717-H719 VanDerWaalsContact C-N 3.3Å; I717-H719 PolarHBondContact O-N 3.01Å; I717-C720 WeakPolarHBondContact O-CB 3.5Å; I717-C720 PolarHBondContact O-N 3.03Å
718K96.4Very high90.5Very high99 Ų9939.2 Ų39.243%0.4322%0.217SC..Hα-helixtrans-55.3-41.8-176.4-75175.6-177.6169.90113.5T680 E714 L715T680-K718 HydrophobicContact CG2-CG 4.15Å; E714-K718 HydrophobicContact CG-CD 4.34Å; E714-K718 WeakPolarHBondContact O-CB 3.49Å; E714-K718 WeakPolarHBondContact O-CG 3.48Å; E714-K718 PolarHBondContact O-N 3.19Å; E714-K718 WeakPolarHBondContact OE1-CE 3.4Å; E714-K718 IonicContact OE1-NZ 2.84Å; E714-K718 PolarHBondContact OE1-NZ 3.45Å; L715-K718 PolarHBondContact O-N 3.41Å
719H96Very high88.5Confident53 Ų5344.9 Ų44.925%0.24524%0.236CC..THydrogen-bonded Turntrans-110.527.8-172.4-62.6-73.8000112.8E637 L641 L715 I717 T721 Y722 L723E637-H719 IonicContact OE1-CD2 3.82Å; E637-H719 IonicContact OE1-CE1 3.91Å; E637-H719 IonicContact OE1-NE2 3.87Å; E637-H719 PolarHBondContact OE1-NE2 3.45Å; L641-H719 HydrophobicContact CD1-CB 4.41Å; L641-H719 HydrophobicContact CD2-CB 3.71Å; L715-H719 WeakPolarHBondContact O-CB 3.49Å; L715-H719 PolarHBondContact O-N 3.49Å; I717-H719 VanDerWaalsContact C-N 3.3Å; I717-H719 PolarHBondContact O-N 3.01Å; H719-T721 VanDerWaalsContact C-N 3.26Å; H719-T721 PolarHBondContact O-N 3.44Å; H719-T721 VanDerWaalsContact O-N 3.16Å; H719-Y722 PolarHBondContact O-N 3.08Å; H719-L723 HydrophobicContact CB-CD1 3.93Å; H719-L723 HydrophobicContact CB-CG 4.18Å; H719-L723 PolarHBondContact O-N 2.66Å
720C95.2Very high86.4Confident0 Ų050 Ų500%026%0.255CS..Hα-helixtrans-58-34.5-170.370.60000114.1I663 L716 I717 L724I663-C720 HydrophobicContact CG2-CB 3.58Å; L716-C720 VanDerWaalsContact O-CA 3.31Å; L716-C720 WeakPolarHBondContact O-CA 3.32Å; L716-C720 VanDerWaalsContact O-CB 3.29Å; L716-C720 WeakPolarHBondContact O-CB 3.4Å; L716-C720 PolarHBondContact O-N 3.15Å; I717-C720 WeakPolarHBondContact O-CB 3.5Å; I717-C720 PolarHBondContact O-N 3.03Å; C720-L724 CarbonylContact O-C 3.54Å; C720-L724 WeakPolarHBondContact O-CA 3.36Å; C720-L724 PolarHBondContact O-N 3.12Å
721T93.4Very high83.8Confident102 Ų10255.1 Ų55.163%0.62628%0.283SS*.Hα-helixtrans-70.1-31178.554.20000112.9H719H719-T721 VanDerWaalsContact C-N 3.26Å; H719-T721 PolarHBondContact O-N 3.44Å; H719-T721 VanDerWaalsContact O-N 3.16Å
722Y94.7Very high81.1Confident74 Ų7456.2 Ų56.229%0.2930%0.299SS..Hα-helixtrans-83.7-44.5177.4-174-106.3000112.2L641 D642 R645 H719L641-Y722 HydrophobicContact CB-CD1 4.17Å; L641-Y722 HydrophobicContact CB-CE1 4.1Å; D642-Y722 WeakPolarHBondContact OD1-CE1 3.48Å; D642-Y722 PolarHBondContact OD1-OH 3.33Å; R645-Y722 VanDerWaalsContact CD-O 3.3Å; R645-Y722 WeakPolarHBondContact CD-O 3.45Å; R645-Y722 PolarHBondContact NE-O 3.3Å; R645-Y722 VanDerWaalsContact NH1-CE2 3.29Å; R645-Y722 VanDerWaalsContact NH1-CZ 3.32Å; R645-Y722 PolarHBondContact NH1-OH 3.25Å; R645-Y722 VanDerWaalsContact NH1-OH 3.12Å; H719-Y722 PolarHBondContact O-N 3.08Å
723L95.2Very high78.1Confident2 Ų259.9 Ų59.91%0.0132%0.324CS..Hα-helixtrans-74.7-39.7-176.7-69171.2000112.9L641 L644 R645 F648 L716 H719 P725L641-L723 HydrophobicContact CB-CD2 4.41Å; L641-L723 HydrophobicContact CD2-CD1 3.83Å; L641-L723 HydrophobicContact CD2-CD2 3.85Å; L641-L723 HydrophobicContact CD2-CG 3.99Å; L641-L723 WeakPolarHBondContact O-CD2 3.23Å; L644-L723 HydrophobicContact CB-CD2 3.77Å; R645-L723 HydrophobicContact CB-CD2 4.14Å; F648-L723 HydrophobicContact CD2-CB 4.32Å; F648-L723 HydrophobicContact CD2-CD2 4.38Å; F648-L723 HydrophobicContact CE2-CD1 4.45Å; F648-L723 HydrophobicContact CE2-CD2 4.45Å; L716-L723 HydrophobicContact CD1-CB 4.2Å; L716-L723 HydrophobicContact CD1-CD1 4Å; H719-L723 HydrophobicContact CB-CD1 3.93Å; H719-L723 HydrophobicContact CB-CG 4.18Å; H719-L723 PolarHBondContact O-N 2.66Å; L723-P725 WeakPolarHBondContact O-CD 3.5Å
724L93.9Very high75.1Confident1 Ų168.9 Ų68.91%0.00536%0.359CS..SBendtrans-122.362.3-177.9-57.2178.6000111.4F648 Y656 L659 R660 I663 L716 C720F648-L724 HydrophobicContact CB-CD2 3.8Å; F648-L724 HydrophobicContact CD1-CD2 4.29Å; F648-L724 HydrophobicContact CD2-CD2 4.45Å; F648-L724 HydrophobicContact CG-CD2 3.95Å; Y656-L724 HydrophobicContact CD2-CD2 4.07Å; Y656-L724 HydrophobicContact CE2-CD2 3.67Å; L659-L724 HydrophobicContact CB-CD1 4.47Å; L659-L724 HydrophobicContact CD2-CD1 4.04Å; L659-L724 HydrophobicContact CD2-CD2 4.34Å; L659-L724 HydrophobicContact CG-CD1 3.82Å; R660-L724 HydrophobicContact CB-CB 4.12Å; R660-L724 HydrophobicContact CB-CD1 4.37Å; R660-L724 VanDerWaalsContact CD-O 3.23Å; R660-L724 WeakPolarHBondContact CD-O 3.46Å; R660-L724 HydrophobicContact CG-CB 3.95Å; R660-L724 WeakPolarHBondContact CG-O 3.4Å; I663-L724 HydrophobicContact CB-CD1 4.38Å; I663-L724 HydrophobicContact CG1-CD1 4.44Å; L716-L724 HydrophobicContact CD1-CD1 3.89Å; L716-L724 HydrophobicContact CD1-CG 4.07Å; C720-L724 CarbonylContact O-C 3.54Å; C720-L724 WeakPolarHBondContact O-CA 3.36Å; C720-L724 PolarHBondContact O-N 3.12Å
725P91.4Very high72Confident23 Ų2371.9 Ų71.915%0.14938%0.382CS..  trans-61.6146.9-178.427.2-36000112.1Y656 L723 N727Y656-P725 WeakPolarHBondContact OH-CD 3.41Å; Y656-P725 PolarHBondContact OH-O 3.16Å; L723-P725 WeakPolarHBondContact O-CD 3.5Å; P725-N727 PolarHBondContact O-N 2.76Å
726S78.2Confident68.9Low91 Ų9176.3 Ų76.364%0.63641%0.41SS*.  trans-73.254.7177.9-59.70000112.8R660R660-S726 PolarHBondContact NH1-OG 3.2Å
727N59.6Low65.7Low89 Ų8984.4 Ų84.448%0.47645%0.448SS..  trans-76.6121.2-179.9-72.3-20.4000110.6P725 R729P725-N727 PolarHBondContact O-N 2.76Å; N727-R729 HydrophobicContact CB-CB 4.39Å; N727-R729 PolarHBondContact O-N 2.88Å
728G51.8Low62.5Low44 Ų4490 Ų9045%0.45448%0.477SS..THydrogen-bonded Turntrans-6517.8173.400000115.8W730 L731 A732G728-W730 VanDerWaalsContact C-N 3.3Å; G728-W730 PolarHBondContact O-N 3.33Å; G728-L731 PolarHBondContact O-N 3.14Å; G728-L731 VanDerWaalsContact O-N 3.1Å; G728-A732 PolarHBondContact O-N 2.97Å
729R51.1Low59.3Low187 Ų18789.6 Ų89.671%0.70649%0.493SS*.THydrogen-bonded Turntrans-61.8-34.8-174.1-157.9179.7-165.7-163.83.9112.5N727 S733N727-R729 HydrophobicContact CB-CB 4.39Å; N727-R729 PolarHBondContact O-N 2.88Å; R729-S733 PolarHBondContact O-OG 3.34Å
730W48.2Very low56Low114 Ų11490 Ų9043%0.43250%0.496SS..THydrogen-bonded Turntrans-81.9-27174.9-62.6116.4000113.3Y656 G728 S733Y656-W730 AromaticContact CD1-NE1 3.85Å; G728-W730 VanDerWaalsContact C-N 3.3Å; G728-W730 PolarHBondContact O-N 3.33Å; W730-S733 PolarHBondContact O-N 3Å
731L40.4Very low52.8Low146 Ų14695.4 Ų95.476%0.76453%0.525SS*.THydrogen-bonded Turntrans-73.1-35.8174.7-81.3153.8000112.1G728 S733G728-L731 PolarHBondContact O-N 3.14Å; G728-L731 VanDerWaalsContact O-N 3.1Å; L731-S733 PolarHBondContact O-N 3.09Å
732A37.2Very low49.9Very low88 Ų8894.3 Ų94.373%0.72753%0.527SS*.THydrogen-bonded Turntrans-72.8-7.2173.800000113.8G728G728-A732 PolarHBondContact O-N 2.97Å
733S34.3Very low46.9Very low77 Ų7794.5 Ų94.554%0.53853%0.532SS..  trans-121.955.1-178.4-62.10000112R729 W730 L731 P735R729-S733 PolarHBondContact O-OG 3.34Å; W730-S733 PolarHBondContact O-N 3Å; L731-S733 PolarHBondContact O-N 3.09Å; S733-P735 VanDerWaalsContact O-CD 3.27Å; S733-P735 WeakPolarHBondContact O-CD 3.45Å
734R32.3Very low44Very low190 Ų190102.8 Ų102.872%0.71757%0.57SS**  trans-66.2118.3151.9-95.1-171.7169.6-176.4-1.5108.1T736R734-T736 PolarHBondContact O-N 3.08Å
735P32Very low41.1Very low112 Ų112104.7 Ų104.773%0.72758%0.583SS**  trans-76.178164.9-2.322.6000107.4S733S733-P735 VanDerWaalsContact O-CD 3.27Å; S733-P735 WeakPolarHBondContact O-CD 3.45Å
736T32.2Very low38.2Very low111 Ų111109.1 Ų109.168%0.68161%0.612SS**  trans-79.4121.5157.7-40.80000104.9R734R734-T736 PolarHBondContact O-N 3.08Å
737E28.6Very low35.9Very low169 Ų169107.6 Ų107.679%0.7960%0.602SS**SBendtrans78148.2-168-49.5-178.1-177.600115.2
738L31.5Very low34.6Very low118 Ų118111.2 Ų111.262%0.61862%0.615SS**  trans56.769.4-178.8-60.4175.1000116.4I754L738-I754 HydrophobicContact CD2-CG2 4.42Å
739A28.9Very low33.6Very low91 Ų91120.2 Ų120.275%0.75264%0.636SS**  trans-106.428.7172.200000114.1
740D27.2Very low32.6Very low61 Ų61120 Ų12033%0.32664%0.642SS.*SBendtrans-110.5148172.8-81.9-25.5000110.6N756D740-N756 WeakPolarHBondContact OD2-CA 3.45Å; D740-N756 WeakPolarHBondContact OD2-CB 3.27Å
741N28Very low31.8Very low113 Ų113119.8 Ų119.860%0.60466%0.658SS**  trans60.671.7165.9-50.3-13.4000118.1T755N741-T755 PolarHBondContact ND2-O 3Å
742A31Very low31.1Very low79 Ų79121.4 Ų121.465%0.65366%0.662SS**  trans-145.488.3158.700000111.7H744A742-H744 PolarHBondContact O-N 3.1Å
743I33Very low30.8Very low79 Ų79125.4 Ų125.441%0.40567%0.669SS.*  trans-71.1117.8164.1-66.8168.9000106.8L114 L491 S745L114-I743 HydrophobicContact CD1-CD1 3.97Å; L114-I743 HydrophobicContact CD2-CB 4.46Å; L114-I743 HydrophobicContact CD2-CD1 3.8Å; L114-I743 HydrophobicContact CD2-CG2 4.47Å; L491-I743 HydrophobicContact CD2-CG2 4.13Å; I743-S745 VanDerWaalsContact C-N 3.28Å; I743-S745 PolarHBondContact O-N 2.88Å
744H33.8Very low30.4Very low176 Ų176126.8 Ų126.882%0.81567%0.67SS**  trans-77.876.3-179.7-79.30.7000111.9A742A742-H744 PolarHBondContact O-N 3.1Å
745S33Very low30.5Very low40 Ų40122.8 Ų122.828%0.2867%0.666SS.*  trans-65136.2149.3-59.30000108.6I743 S747I743-S745 VanDerWaalsContact C-N 3.28Å; I743-S745 PolarHBondContact O-N 2.88Å; S745-S747 PolarHBondContact O-N 3.29Å
746P29.5Very low30.3Very low117 Ų117121.8 Ų121.876%0.7666%0.655SS**SBendtrans-79.252-174.633.7-36.9000112.7
747S30.5Very low30.4Very low59 Ų59123 Ų12341%0.41366%0.657SS.*  trans-157.578.6-166.557.50000113.1S745S745-S747 PolarHBondContact O-N 3.29Å
748H32.6Very low30.4Very low165 Ų165121.8 Ų121.876%0.76466%0.656SS**  trans-143.5115169.4-96.6-60.6000115.1
749R30.4Very low30.4Very low232 Ų232124.8 Ų124.888%0.87566%0.664SS**  -84.6168.7127.7-69.2-175.9175.2-169.5-0108.2
750H29.4Very low30.7Very low183 Ų183126.4 Ų126.485%0.84767%0.665SS**  trans-39149-178.2-53.3109.5000114.8
751S31.6Very low31.2Very low109 Ų109129.4 Ų129.476%0.76269%0.688SS**  cis-154.2165.644.9-42.40000114.5
752Q26.6Very low31.6Very low181 Ų181130 Ų13085%0.84670%0.698SS**  trans-87.3140.1-179.8-60.8168.5-24.100113.3
753I30.7Very low31.8Very low171 Ų171130.4 Ų130.488%0.87770%0.701SS**  trans-138.4146.7151.3-63.5-173.2000108.2
754I26.2Very low32Very low107 Ų107132.6 Ų132.655%0.54972%0.719SS.*  trans-113.6134.2-166.1-58.3163.6000111.5L738L738-I754 HydrophobicContact CD2-CG2 4.42Å
755T33.5Very low31.9Very low106 Ų106130.1 Ų130.165%0.6572%0.716SS**  trans-151.5101.6155.646.60000112N741N741-T755 PolarHBondContact ND2-O 3Å
756N27Very low32.2Very low91 Ų91135 Ų13549%0.48774%0.744SS.*  trans-66153.9166.7-57.96.9000110.4D740D740-N756 WeakPolarHBondContact OD2-CA 3.45Å; D740-N756 WeakPolarHBondContact OD2-CB 3.27Å
757N35.7Very low32.6Very low135 Ų135134.6 Ų134.672%0.72274%0.744SS**  trans-160.893.6157.1-107.3-29.8000112.8
758N28.2Very low33.2Very low145 Ų145137.4 Ų137.478%0.77576%0.76SS**  trans-88.4121.1160.3-82.7-69.5000108.9
759F32.4Very low33.3Very low180 Ų180135.3 Ų135.379%0.78976%0.762SS**  trans-139116.7169-100.1-79000112.6
760T34.7Very low33.6Very low125 Ų125129.5 Ų129.577%0.76776%0.757SS**PPolyproline II helixtrans-81153.3156.536.50000110.1
761P37.7Very low33.6Very low125 Ų125128.5 Ų128.581%0.81276%0.756SS**PPolyproline II helixtrans-77.4134.8-174.930.2-34.7000112.5
762P35.7Very low33.7Very low124 Ų124129 Ų12981%0.80576%0.757SS**PPolyproline II helixtrans-90.7165174.836.5-35.1000112.7
763A35.2Very low34Very low88 Ų88125.4 Ų125.473%0.72775%0.751SS**  trans-123139.6172.400000112.1
764T37Very low33.8Very low125 Ų125127.9 Ų127.977%0.76775%0.751SS**  trans58.199.6160.435.40000120.5
765T32.5Very low34.1Very low124 Ų124132.6 Ų132.676%0.76177%0.768SS**  53.7121.3124.857.90000122.1
766V38.4Very low33.7Very low144 Ų144135.8 Ų135.887%0.87377%0.773SS**  -175.4164.1108.8148.80000110.2
767S39.1Very low33.7Very low108 Ų108142.2 Ų142.276%0.75579%0.79SS**  trans-81.6159.4-159.3-46.80000117.9
768P41.7Very low33.3Very low117 Ų117141.8 Ų141.876%0.7679%0.788SS**  trans-94.2165.6178.440.1-37.8000114
769P36.2Very low33.4Very low122 Ų122143 Ų14379%0.79279%0.787SS**  -136-168.592.838.7-23.4000111.6
770S35.5Very low33.3Very low110 Ų110141.7 Ų141.777%0.76979%0.787SS**  cis-149.9-175.716.3-61.10000111.6
771I30.4Very low32.9Very low162 Ų162147.1 Ų147.183%0.83179%0.793SS**  trans-119.8139.9172.6-56.3165.5000110.1
772P34.1Very low32.6Very low120 Ų120147 Ų14778%0.77980%0.795SS**  -146.3128.8127.434-16.8000116.6
773S31.5Very low32.2Very low105 Ų105151.6 Ų151.673%0.73480%0.797SS**  trans49.6118.1142.3-1500000123.5
774Y26.3Very low32.2Very low223 Ų223153 Ų15388%0.87580%0.801SS**  trans-5.1129.8149.2-78-96.8000120
775K32.4Very low31.9Very low205 Ų205151.1 Ų151.189%0.89179%0.793SS**  trans-132.8152.1138.9-83.7-168.6178175.60112.1
776K26.3Very low32.1Very low173 Ų173151.2 Ų151.275%0.75279%0.793SS**  trans-100.4131.6-161.2-177.2-177.5-172.2175.20111.3
777W27.2Very low31.9Very low227 Ų227150.9 Ų150.986%0.8679%0.787SS**  trans-116.9113.4166.8-7996.9000110.4F779W777-F779 HydrophobicContact CE3-CD2 4.28Å; W777-F779 HydrophobicContact CE3-CE2 4.36Å; W777-F779 HydrophobicContact CZ3-CD2 4.46Å; W777-F779 HydrophobicContact CZ3-CE2 4.1Å
778N26.5Very low31.7Very low125 Ų125151.4 Ų151.467%0.66879%0.786SS**  trans-107.5134.2163.6-78.62.2000107.3
779F30.8Very low31.4Very low171 Ų171156.7 Ų156.775%0.7579%0.791SS**  trans-128.5103.1162.1-114.9-94.1000111.8W777W777-F779 HydrophobicContact CE3-CD2 4.28Å; W777-F779 HydrophobicContact CE3-CE2 4.36Å; W777-F779 HydrophobicContact CZ3-CD2 4.46Å; W777-F779 HydrophobicContact CZ3-CE2 4.1Å
780L30.1Very low31.3Very low152 Ų152156.4 Ų156.480%0.79679%0.787SS**  trans34.9108.6151.1-61.4172.4000119.6
781R25.2Very low31.3Very low240 Ų240157.3 Ų157.391%0.90679%0.787SS**  trans-67.9143.9142.2-87.5-176.6170.6179.7-3.1109.8
782S31.7Very low31.7Very low121 Ų121154.9 Ų154.985%0.84678%0.782SS**  trans-112.4163.3149.259.70000109.4
783R28.7Very low31.7Very low222 Ų222155.3 Ų155.384%0.83878%0.782SS**  trans-152.8127-164.1-169.4-171.6-172-152.32.5113.1
784S34.1Very low32Very low118 Ų118158.4 Ų158.483%0.82579%0.79SS**  trans-154.4127.3154.846.10000107.1
785S31.2Very low32.4Very low84 Ų84152.4 Ų152.459%0.58778%0.78SS**  cis98.485.46.8-152.80000116.8
786T36.8Very low33.2Very low126 Ų126147.8 Ų147.877%0.77377%0.771SS**  trans-158.2124.7138.325.50000105.5
787D34.2Very low33.9Very low137 Ų137146.8 Ų146.873%0.73377%0.773SS**  69.9127.169-71.2-34.5000113.1
788T34.4Very low34.9Very low120 Ų120145.3 Ų145.374%0.73679%0.792SS**  cis-143.7-161.6-14.946.40000107.2
789R34.8Very low35.3Very low228 Ų228146.3 Ų146.386%0.8680%0.798SS**  cis-162178.410.4-149.3-179.8167.8152.6-1.3111
790T34.3Very low35.6Very low116 Ų116145 Ų14571%0.71280%0.801SS**  trans-138.2171172.351.50000108.6
791V36.3Very low35.9Very low129 Ų129144.6 Ų144.678%0.78280%0.801SS**  cis-156.2-172.89.5-125.90000106.3
792P38Very low36.5Very low111 Ų111139 Ų13972%0.72180%0.795SS**  cis-137.3-174.2-16.432.9-10000115.6
793T33.9Very low36.8Very low128 Ų128140.1 Ų140.179%0.78579%0.792SS**  trans-27140.6157.5-40.10000119.3
794L38.8Very low37.3Very low171 Ų171134.7 Ų134.790%0.89579%0.789SS**  trans-156.6162.3141.8-106.7173.1000110.2
795S35.7Very low37.5Very low96 Ų96135.9 Ų135.967%0.67179%0.786SS**  trans-158.5176-170.559.60000111.1
796P47.3Very low38Very low108 Ų108139.8 Ų139.870%0.70180%0.802SS**  cis-128.2-150.2-31.631.4-9.5000111.4
797I42.5Very low38.1Very low152 Ų152141 Ų14178%0.77980%0.804SS**  trans91.6134.1166.3-53.1154.4000115.8
798P47.6Very low38.5Very low196 Ų196141.4 Ų141.4100%1.27381%0.811SS**  cis-89.90-1511.87.9000112.8

Retrieved 798 of 798 residues in 1218.6 ms (Link to these results)

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