CCL11_ORYSJ Loading...

Cyclin-L1-1

AlphaFold DB , UniProt , Accession Q9AS36, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene CYCL1-1, Length 427 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.7Very low64.8Low202 Ų20298.7 Ų98.7100%0.99551%0.507SS*.  0100.90-175.1-175.9-67.700107.1Y3M1-Y3 HydrophobicContact CG-CE2 4.27Å; M1-Y3 HydrophobicContact SD-CE2 3.75Å
2I38.9Very low67.1Low150 Ų15096.3 Ų96.377%0.76950%0.501SS*.  trans-84.3115.3173.7-57.1173.7000105.5T4I2-T4 HydrophobicContact CG2-CG2 3.95Å; I2-T4 PolarHBondContact O-N 3.21Å
3Y39.2Very low69Low204 Ų20493.7 Ų93.780%0.849%0.488SS*.  trans-72.388.4160.5-79-90.3000106.3M1M1-Y3 HydrophobicContact CG-CE2 4.27Å; M1-Y3 HydrophobicContact SD-CE2 3.75Å
4T44.7Very low70.7Confident98 Ų9897.6 Ų97.660%0.60150%0.502SS*.  trans-58.8148.7168.741.70000108.5I2 I6I2-T4 HydrophobicContact CG2-CG2 3.95Å; I2-T4 PolarHBondContact O-N 3.21Å; T4-I6 PolarHBondContact O-N 3.26Å
5A58.2Low72.2Confident64 Ų6498 Ų9853%0.52950%0.501SS..  trans-78.465.3-163.100000112.5D7 H150A5-D7 PolarHBondContact O-N 2.69Å; A5-H150 HydrophobicContact CB-CB 4.29Å; A5-H150 PolarHBondContact O-CD2 2.97Å; A5-H150 PolarHBondContact O-NE2 3.36Å
6I65.6Low73.4Confident122 Ų12293.3 Ų93.363%0.62648%0.477SS*.  trans-71.8112.1175.2-52.9176.8000107.9T4 T8T4-I6 PolarHBondContact O-N 3.26Å; I6-T8 HydrophobicContact CB-CG2 4.37Å; I6-T8 HydrophobicContact CG2-CG2 3.82Å; I6-T8 PolarHBondContact O-N 2.91Å
7D74.2Confident74.6Confident15 Ų1597.7 Ų97.78%0.0849%0.486CS..  trans-69123.5167.8-158.3-20.9000109.3A5 F9 Y10 R65 V151 E152A5-D7 PolarHBondContact O-N 2.69Å; D7-F9 PolarHBondContact OD1-N 2.83Å; D7-Y10 VanDerWaalsContact O-CE2 3.31Å; D7-Y10 WeakPolarHBondContact O-CE2 3.49Å; D7-R65 VanDerWaalsContact CG-NH1 3.26Å; D7-R65 IonicContact OD1-CZ 3.88Å; D7-R65 VanDerWaalsContact OD1-CZ 3.25Å; D7-R65 IonicContact OD1-NH1 3.1Å; D7-R65 PolarHBondContact OD1-NH1 3.27Å; D7-R65 IonicContact OD1-NH2 3.52Å; D7-R65 PolarHBondContact OD1-NH2 3.33Å; D7-R65 VanDerWaalsContact OD1-NH2 3.09Å; D7-R65 IonicContact OD2-CZ 3.34Å; D7-R65 VanDerWaalsContact OD2-CZ 3.23Å; D7-R65 IonicContact OD2-NH1 2.64Å; D7-R65 PolarHBondContact OD2-NH1 2.91Å; D7-R65 IonicContact OD2-NH2 2.81Å; D7-R65 PolarHBondContact OD2-NH2 3.07Å; D7-V151 WeakPolarHBondContact OD2-CA 3.28Å; D7-E152 PolarHBondContact OD2-N 2.92Å
8T79.7Confident75.6Confident91 Ų9197.4 Ų97.456%0.55849%0.487SS*.  trans-1254.9-168.941.10000112.7I6 Y10I6-T8 HydrophobicContact CB-CG2 4.37Å; I6-T8 HydrophobicContact CG2-CG2 3.82Å; I6-T8 PolarHBondContact O-N 2.91Å; T8-Y10 PolarHBondContact O-N 2.76Å
9F89.2Confident76.6Confident27 Ų2792.4 Ų92.412%0.11846%0.462CS..  trans-9081.3179.8-159.3-56.5000110.5D7 L11 R65 C68 K69 V188D7-F9 PolarHBondContact OD1-N 2.83Å; F9-L11 HydrophobicContact CD1-CG 4.44Å; F9-L11 HydrophobicContact CE1-CD1 3.81Å; F9-L11 HydrophobicContact CE1-CG 4.11Å; F9-R65 HydrophobicContact CB-CG 4.36Å; F9-R65 HydrophobicContact CD1-CB 4.36Å; F9-R65 HydrophobicContact CD1-CG 3.7Å; F9-R65 HydrophobicContact CD2-CB 4.04Å; F9-R65 HydrophobicContact CD2-CG 3.86Å; F9-R65 HydrophobicContact CE1-CB 4.06Å; F9-R65 HydrophobicContact CE1-CG 3.83Å; F9-R65 HydrophobicContact CE2-CB 3.69Å; F9-R65 HydrophobicContact CE2-CG 3.99Å; F9-R65 HydrophobicContact CG-CB 4.37Å; F9-R65 HydrophobicContact CG-CG 3.72Å; F9-R65 HydrophobicContact CZ-CB 3.72Å; F9-R65 HydrophobicContact CZ-CG 3.98Å; F9-R65 VanDerWaalsContact CZ-O 3.31Å; F9-R65 WeakPolarHBondContact CZ-O 3.43Å; F9-C68 HydrophobicContact CE1-CB 4.09Å; F9-C68 HydrophobicContact CZ-CB 4.13Å; F9-K69 HydrophobicContact CE2-CD 3.93Å; F9-K69 HydrophobicContact CE2-CG 4.47Å; F9-K69 HydrophobicContact CZ-CD 4.19Å; F9-K69 HydrophobicContact CZ-CG 4.22Å; F9-V188 HydrophobicContact CD1-CB 4.4Å; F9-V188 HydrophobicContact CD1-CG1 4.1Å; F9-V188 HydrophobicContact CE1-CG1 4.22Å
10Y93.1Very high77.6Confident70 Ų7089.4 Ų89.428%0.27545%0.449SS..  trans-121.5146.1169.2-55-66.6000110.2D7 T8 V188 F190 K191D7-Y10 VanDerWaalsContact O-CE2 3.31Å; D7-Y10 WeakPolarHBondContact O-CE2 3.49Å; T8-Y10 PolarHBondContact O-N 2.76Å; Y10-V188 CarbonylContact C-O 3.56Å; Y10-V188 WeakPolarHBondContact CA-O 3.28Å; Y10-F190 VanDerWaalsContact CE1-O 3.26Å; Y10-F190 WeakPolarHBondContact CE1-O 3.13Å; Y10-K191 HydrophobicContact CE1-CB 4.44Å; Y10-K191 HydrophobicContact CE1-CG 4.47Å; Y10-K191 HydrophobicContact CE2-CG 4.14Å
11L92.8Very high78.4Confident43 Ų4385.1 Ų85.123%0.22543%0.428CS..  trans-132.9146.2-175.5-63.6175.5000110.4F9 Q15 L16 C68 V188F9-L11 HydrophobicContact CD1-CG 4.44Å; F9-L11 HydrophobicContact CE1-CD1 3.81Å; F9-L11 HydrophobicContact CE1-CG 4.11Å; L11-Q15 VanDerWaalsContact CA-OE1 3.31Å; L11-Q15 HydrophobicContact CB-CB 4.3Å; L11-Q15 HydrophobicContact CD2-CB 4.44Å; L11-L16 HydrophobicContact CB-CD2 4.48Å; L11-L16 HydrophobicContact CB-CG 4.15Å; L11-L16 HydrophobicContact CD1-CD2 3.89Å; L11-L16 HydrophobicContact CD1-CG 4.41Å; L11-C68 HydrophobicContact CD1-CB 3.47Å; L11-C68 VanDerWaalsContact CD1-CB 3.47Å; L11-V188 PolarHBondContact N-O 2.84Å
12T93.3Very high81.2Confident70 Ų7078 Ų7843%0.42939%0.39SS..  trans-74.7158.6171.669.90000111.1E14 Q15 L16T12-E14 PolarHBondContact O-N 3.01Å; T12-Q15 WeakPolarHBondContact O-CB 3.3Å; T12-Q15 PolarHBondContact O-N 2.92Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.36Å; T12-Q15 PolarHBondContact OG1-N 3.46Å; T12-L16 PolarHBondContact O-N 3Å
13D91Very high83.9Confident62 Ų6277 Ų7733%0.33238%0.38SS..Hα-helixtrans-59.3-30.1174.4-777.6000112.7L16 R17 R189D13-L16 PolarHBondContact O-N 3.22Å; D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 VanDerWaalsContact O-CG 3.23Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 3.36Å; D13-R189 IonicContact OD1-CZ 3.1Å; D13-R189 IonicContact OD1-NE 3.81Å; D13-R189 PolarHBondContact OD1-NE 3Å; D13-R189 IonicContact OD1-NH2 2.7Å; D13-R189 PolarHBondContact OD1-NH2 3.02Å; D13-R189 IonicContact OD2-CZ 3.66Å; D13-R189 IonicContact OD2-NH2 2.72Å; D13-R189 PolarHBondContact OD2-NH2 3.12Å
14E92.8Very high86.5Confident148 Ų14869.8 Ų69.869%0.69236%0.355SS*.Hα-helixtrans-65.2-45.3173.3-58.3-179.5153.900111.5T12 L16 R17 D18T12-E14 PolarHBondContact O-N 3.01Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.17Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-D18 WeakPolarHBondContact O-CB 3.28Å; E14-D18 PolarHBondContact O-N 3.38Å
15Q93.6Very high88.9Confident104 Ų10468.4 Ų68.449%0.48636%0.36SS..Hα-helixtrans-65.3-29.2176.7-70169.9-20.100112.6L11 T12L11-Q15 VanDerWaalsContact CA-OE1 3.31Å; L11-Q15 HydrophobicContact CB-CB 4.3Å; L11-Q15 HydrophobicContact CD2-CB 4.44Å; T12-Q15 WeakPolarHBondContact O-CB 3.3Å; T12-Q15 PolarHBondContact O-N 2.92Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.36Å; T12-Q15 PolarHBondContact OG1-N 3.46Å
16L92.1Very high90.6Very high23 Ų2365.9 Ų65.912%0.1234%0.338CS..Hα-helixtrans-80.1-33.8174.6-72170.2000113L11 T12 D13 E14 D18 S19 V188 R189L11-L16 HydrophobicContact CB-CD2 4.48Å; L11-L16 HydrophobicContact CB-CG 4.15Å; L11-L16 HydrophobicContact CD1-CD2 3.89Å; L11-L16 HydrophobicContact CD1-CG 4.41Å; T12-L16 PolarHBondContact O-N 3Å; D13-L16 PolarHBondContact O-N 3.22Å; E14-L16 VanDerWaalsContact C-N 3.26Å; E14-L16 PolarHBondContact O-N 3.17Å; L16-D18 VanDerWaalsContact C-N 3.35Å; L16-S19 WeakPolarHBondContact O-CB 3.37Å; L16-V188 HydrophobicContact CD2-CG2 4.27Å; L16-R189 HydrophobicContact CD1-CG 3.25Å
17R92.5Very high92Very high168 Ų16864 Ų6463%0.63433%0.329SS*.Hα-helixtrans-65.9-38.1170.3-73.7168.3-173.8172.56.1111.6D13 E14 S19 R22D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 VanDerWaalsContact O-CG 3.23Å; D13-R17 WeakPolarHBondContact O-CG 3.48Å; D13-R17 PolarHBondContact O-N 3.36Å; E14-R17 PolarHBondContact O-N 3.08Å; R17-S19 PolarHBondContact O-N 2.92Å; R17-R22 WeakPolarHBondContact O-CD 3.23Å; R17-R22 VanDerWaalsContact O-CG 3.3Å; R17-R22 WeakPolarHBondContact O-CG 3.47Å
18D93.3Very high93Very high93 Ų9369.5 Ų69.550%0.49735%0.354SS..THydrogen-bonded Turntrans-87.137.9178.1-168.233.9000113.1E14 L16 K23E14-D18 WeakPolarHBondContact O-CB 3.28Å; E14-D18 PolarHBondContact O-N 3.38Å; L16-D18 VanDerWaalsContact C-N 3.35Å; D18-K23 VanDerWaalsContact CG-CE 3.47Å; D18-K23 PolarHBondContact O-NZ 2.99Å; D18-K23 WeakPolarHBondContact OD1-CE 3.37Å; D18-K23 IonicContact OD1-NZ 2.69Å; D18-K23 PolarHBondContact OD1-NZ 3.36Å; D18-K23 VanDerWaalsContact OD1-NZ 3.1Å; D18-K23 WeakPolarHBondContact OD2-CE 3.46Å; D18-K23 IonicContact OD2-NZ 3.71Å; D18-K23 PolarHBondContact OD2-NZ 3.47Å
19S94.8Very high93.7Very high2 Ų268.4 Ų68.41%0.01436%0.355CS..  trans-62.8153.5-172.6110.10000113.2L16 R17 S21 R22 K23 E31L16-S19 WeakPolarHBondContact O-CB 3.37Å; R17-S19 PolarHBondContact O-N 2.92Å; S19-S21 PolarHBondContact O-N 3.19Å; S19-S21 WeakPolarHBondContact OG-CB 3.34Å; S19-S21 PolarHBondContact OG-N 3.09Å; S19-R22 WeakPolarHBondContact O-CB 3.34Å; S19-R22 PolarHBondContact O-N 3.3Å; S19-R22 VanDerWaalsContact O-N 3.1Å; S19-R22 VanDerWaalsContact OG-CG 3.31Å; S19-R22 WeakPolarHBondContact OG-CG 3.44Å; S19-R22 PolarHBondContact OG-N 3.19Å; S19-R22 VanDerWaalsContact OG-N 3.08Å; S19-K23 PolarHBondContact O-N 3.21Å; S19-E31 WeakPolarHBondContact CB-OE2 3.41Å; S19-E31 PolarHBondContact OG-OE2 3.06Å
20P96Very high93.9Very high32 Ų3268.3 Ų68.321%0.20836%0.357CS..Hα-helixtrans-58.7-27.7172-24.335000113.7D24 C68 S71P20-D24 PolarHBondContact O-N 3.11Å; P20-C68 VanDerWaalsContact CD-O 3.32Å; P20-C68 WeakPolarHBondContact CD-O 3.36Å; P20-C68 WeakPolarHBondContact CG-O 3.16Å; P20-S71 WeakPolarHBondContact O-CB 3.27Å
21S95.4Very high94.1Very high0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-73.7-39.6175.7-64.40000111.3S19 K23 D24 G25 I26 E31 S71 F72S19-S21 PolarHBondContact O-N 3.19Å; S19-S21 WeakPolarHBondContact OG-CB 3.34Å; S19-S21 PolarHBondContact OG-N 3.09Å; S21-K23 VanDerWaalsContact C-N 3.35Å; S21-D24 CarbonylContact O-C 3.57Å; S21-D24 PolarHBondContact O-N 2.97Å; S21-G25 PolarHBondContact O-N 3.25Å; S21-I26 WeakPolarHBondContact O-CB 2.96Å; S21-I26 WeakPolarHBondContact O-CG1 3.44Å; S21-I26 PolarHBondContact O-N 3.38Å; S21-E31 WeakPolarHBondContact CB-OE2 3.44Å; S21-S71 WeakPolarHBondContact OG-CA 3.48Å; S21-F72 VanDerWaalsContact OG-CD2 3.28Å; S21-F72 WeakPolarHBondContact OG-CD2 3.05Å; S21-F72 PolarHBondContact OG-N 3.09Å
22R94.9Very high94.2Very high52 Ų5265.4 Ų65.420%0.19635%0.347CS..Hα-helixtrans-61.6-44174.4-56.9-101172.2-83.9-1.4110.9R17 S19 D24 G25 I26 D27 E28 E31R17-R22 WeakPolarHBondContact O-CD 3.23Å; R17-R22 VanDerWaalsContact O-CG 3.3Å; R17-R22 WeakPolarHBondContact O-CG 3.47Å; S19-R22 WeakPolarHBondContact O-CB 3.34Å; S19-R22 PolarHBondContact O-N 3.3Å; S19-R22 VanDerWaalsContact O-N 3.1Å; S19-R22 VanDerWaalsContact OG-CG 3.31Å; S19-R22 WeakPolarHBondContact OG-CG 3.44Å; S19-R22 PolarHBondContact OG-N 3.19Å; S19-R22 VanDerWaalsContact OG-N 3.08Å; R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.19Å; R22-G25 WeakPolarHBondContact O-CA 3.24Å; R22-G25 PolarHBondContact O-N 3.16Å; R22-I26 PolarHBondContact NH1-O 2.92Å; R22-D27 PolarHBondContact NH1-O 3.28Å; R22-E28 PolarHBondContact NH2-O 3.27Å; R22-E31 IonicContact CZ-OE2 2.91Å; R22-E31 IonicContact NE-OE2 2.77Å; R22-E31 IonicContact NH1-OE2 3.2Å; R22-E31 PolarHBondContact NH1-OE2 2.68Å; R22-E31 IonicContact NH2-OE2 3.78Å
23K94.8Very high94.3Very high129 Ų12963.5 Ų63.556%0.56134%0.338SS*.Hα-helixtrans-62.5-29175-74.1166.1171.4138.20114.3D18 S19 S21 G25D18-K23 VanDerWaalsContact CG-CE 3.47Å; D18-K23 PolarHBondContact O-NZ 2.99Å; D18-K23 WeakPolarHBondContact OD1-CE 3.37Å; D18-K23 IonicContact OD1-NZ 2.69Å; D18-K23 PolarHBondContact OD1-NZ 3.36Å; D18-K23 VanDerWaalsContact OD1-NZ 3.1Å; D18-K23 WeakPolarHBondContact OD2-CE 3.46Å; D18-K23 IonicContact OD2-NZ 3.71Å; D18-K23 PolarHBondContact OD2-NZ 3.47Å; S19-K23 PolarHBondContact O-N 3.21Å; S21-K23 VanDerWaalsContact C-N 3.35Å; K23-G25 VanDerWaalsContact C-N 3.32Å
24D94.6Very high94.6Very high52 Ų5260.6 Ų60.628%0.27832%0.323SS..THydrogen-bonded Turntrans-88.35.2172.3-78-11.9000113.3P20 S21 R22 S71 V73 R74P20-D24 PolarHBondContact O-N 3.11Å; S21-D24 CarbonylContact O-C 3.57Å; S21-D24 PolarHBondContact O-N 2.97Å; R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.19Å; D24-S71 WeakPolarHBondContact CB-OG 3.43Å; D24-S71 WeakPolarHBondContact OD2-CB 3.4Å; D24-S71 PolarHBondContact OD2-OG 2.73Å; D24-V73 HydrophobicContact CB-CB 4.11Å; D24-V73 HydrophobicContact CB-CG2 3.66Å; D24-R74 IonicContact OD1-CZ 3.31Å; D24-R74 IonicContact OD1-NE 2.69Å; D24-R74 PolarHBondContact OD1-NE 2.81Å; D24-R74 IonicContact OD1-NH2 2.56Å; D24-R74 PolarHBondContact OD1-NH2 3.31Å; D24-R74 WeakPolarHBondContact OD2-CG 3.07Å; D24-R74 IonicContact OD2-CZ 3.08Å; D24-R74 IonicContact OD2-NE 3.18Å; D24-R74 PolarHBondContact OD2-NE 2.9Å; D24-R74 IonicContact OD2-NH2 2.69Å
25G94.3Very high94.8Very high69 Ų6954 Ų5471%0.71129%0.292SS*.THydrogen-bonded Turntrans98.115.4172.300000116.6S21 R22 K23S21-G25 PolarHBondContact O-N 3.25Å; R22-G25 WeakPolarHBondContact O-CA 3.24Å; R22-G25 PolarHBondContact O-N 3.16Å; K23-G25 VanDerWaalsContact C-N 3.32Å
26I95Very high95Very high12 Ų1249.6 Ų49.66%0.06227%0.272CS..  trans-88.1130.8179.5-56.8169.5000111S21 R22 T30 E31 F72 V73 V249S21-I26 WeakPolarHBondContact O-CB 2.96Å; S21-I26 WeakPolarHBondContact O-CG1 3.44Å; S21-I26 PolarHBondContact O-N 3.38Å; R22-I26 PolarHBondContact NH1-O 2.92Å; I26-T30 HydrophobicContact CG2-CG2 3.71Å; I26-E31 HydrophobicContact CG2-CB 4.11Å; I26-F72 HydrophobicContact CD1-CB 3.76Å; I26-V73 HydrophobicContact CD1-CG2 3.59Å; I26-V73 HydrophobicContact CG1-CG2 3.87Å; I26-V249 HydrophobicContact CD1-CG1 3.54Å; I26-V249 HydrophobicContact CG1-CG1 3.78Å
27D95Very high95.2Very high82 Ų8249 Ų4944%0.43927%0.268SS..  trans-76162-179.372.7-87.5000114.8R22 A29 T30 E31R22-D27 PolarHBondContact NH1-O 3.28Å; D27-A29 PolarHBondContact O-N 3.36Å; D27-A29 PolarHBondContact OD2-N 2.93Å; D27-T30 PolarHBondContact O-N 3.39Å; D27-T30 WeakPolarHBondContact OD1-CB 3.38Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 PolarHBondContact OD2-N 3.48Å; D27-T30 PolarHBondContact OD2-OG1 2.88Å; D27-E31 PolarHBondContact O-N 3.44Å
28E94.5Very high95.5Very high130 Ų13041 Ų4161%0.60724%0.238SC*.Hα-helixtrans-4.3-90.8155.9-170.7174.2-135.100114.6R22R22-E28 PolarHBondContact NH2-O 3.27Å
29A94.3Very high95.7Very high69 Ų6936.6 Ų36.657%0.5722%0.215SC*.Hα-helixtrans-75.6-32.6-167.200000112.8D27 E31 T32 A33D27-A29 PolarHBondContact O-N 3.36Å; D27-A29 PolarHBondContact OD2-N 2.93Å; A29-E31 VanDerWaalsContact C-N 3.34Å; A29-E31 PolarHBondContact O-N 2.94Å; A29-T32 PolarHBondContact O-N 3.24Å; A29-A33 VanDerWaalsContact O-CB 3.27Å; A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 2.62Å
30T95.1Very high95.8Very high25 Ų2537.8 Ų37.815%0.15322%0.221CC..Hα-helixtrans-61.7-42.3177.5-65.60000111.5I26 D27 A33 L34 I247 V249I26-T30 HydrophobicContact CG2-CG2 3.71Å; D27-T30 PolarHBondContact O-N 3.39Å; D27-T30 WeakPolarHBondContact OD1-CB 3.38Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 PolarHBondContact OD2-N 3.48Å; D27-T30 PolarHBondContact OD2-OG1 2.88Å; T30-A33 PolarHBondContact O-N 3.47Å; T30-L34 HydrophobicContact CG2-CD1 3.91Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.47Å; T30-L34 WeakPolarHBondContact O-CG 3.48Å; T30-L34 PolarHBondContact O-N 2.9Å; T30-I247 HydrophobicContact CG2-CB 4.42Å; T30-I247 HydrophobicContact CG2-CD1 3.94Å; T30-I247 HydrophobicContact CG2-CG2 4.15Å; T30-V249 HydrophobicContact CG2-CG2 3.93Å
31E95.8Very high95.9Very high8 Ų836.6 Ų36.64%0.03721%0.212CC..Hα-helixtrans-64.5-43.7177-161.8-169.2136.200111.5S19 S21 R22 I26 D27 A29 L34 R35 F72S19-E31 WeakPolarHBondContact CB-OE2 3.41Å; S19-E31 PolarHBondContact OG-OE2 3.06Å; S21-E31 WeakPolarHBondContact CB-OE2 3.44Å; R22-E31 IonicContact CZ-OE2 2.91Å; R22-E31 IonicContact NE-OE2 2.77Å; R22-E31 IonicContact NH1-OE2 3.2Å; R22-E31 PolarHBondContact NH1-OE2 2.68Å; R22-E31 IonicContact NH2-OE2 3.78Å; I26-E31 HydrophobicContact CG2-CB 4.11Å; D27-E31 PolarHBondContact O-N 3.44Å; A29-E31 VanDerWaalsContact C-N 3.34Å; A29-E31 PolarHBondContact O-N 2.94Å; E31-L34 PolarHBondContact O-N 3.35Å; E31-R35 WeakPolarHBondContact O-CG 3.19Å; E31-R35 PolarHBondContact O-N 3.44Å; E31-R35 IonicContact OE1-CZ 3.81Å; E31-R35 IonicContact OE1-NE 3.86Å; E31-R35 PolarHBondContact OE1-NE 3.01Å; E31-R35 IonicContact OE1-NH2 3.28Å; E31-R35 PolarHBondContact OE1-NH2 3.31Å; E31-F72 HydrophobicContact CG-CD2 3.83Å; E31-F72 HydrophobicContact CG-CE2 3.52Å
32T95.6Very high96Very high44 Ų4436.6 Ų36.627%0.2721%0.212SC..Hα-helixtrans-63.3-43.7177.4-61.90000111.7A29 L34 R35 V36 L241A29-T32 PolarHBondContact O-N 3.24Å; T32-L34 PolarHBondContact O-N 3.17Å; T32-R35 PolarHBondContact O-N 2.9Å; T32-V36 WeakPolarHBondContact O-CG2 3.49Å; T32-V36 PolarHBondContact O-N 3.14Å; T32-L241 HydrophobicContact CG2-CD1 4.05Å
33A96.1Very high96.1Very high29 Ų2936.5 Ų36.524%0.2421%0.214CC..Hα-helixtrans-62.9-41.2176.700000112.2A29 T30 Y37 I247A29-A33 VanDerWaalsContact O-CB 3.27Å; A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 2.62Å; T30-A33 PolarHBondContact O-N 3.47Å; A33-Y37 VanDerWaalsContact O-CB 3.23Å; A33-Y37 WeakPolarHBondContact O-CB 3.38Å; A33-Y37 PolarHBondContact O-N 3.46Å; A33-I247 HydrophobicContact CB-CD1 4.1Å
34L96.6Very high96.2Very high2 Ų232 Ų321%0.0120%0.195CC..Hα-helixtrans-67.3-35.7174.8-69.1172.1000112.3T30 E31 T32 G38 F72 V77 I247 V249T30-L34 HydrophobicContact CG2-CD1 3.91Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CB 3.47Å; T30-L34 WeakPolarHBondContact O-CG 3.48Å; T30-L34 PolarHBondContact O-N 2.9Å; E31-L34 PolarHBondContact O-N 3.35Å; T32-L34 PolarHBondContact O-N 3.17Å; L34-G38 PolarHBondContact O-N 3.3Å; L34-F72 HydrophobicContact CB-CD1 4.2Å; L34-F72 HydrophobicContact CB-CD2 4.45Å; L34-F72 HydrophobicContact CB-CE1 4.08Å; L34-F72 HydrophobicContact CB-CE2 4.38Å; L34-F72 HydrophobicContact CB-CG 4.38Å; L34-F72 HydrophobicContact CB-CZ 4.19Å; L34-F72 HydrophobicContact CD1-CB 3.94Å; L34-F72 HydrophobicContact CD1-CD1 4.32Å; L34-F72 HydrophobicContact CD1-CD2 4.27Å; L34-F72 HydrophobicContact CD1-CG 3.93Å; L34-V77 HydrophobicContact CB-CG2 4.26Å; L34-V77 HydrophobicContact CD2-CG2 4.01Å; L34-I247 HydrophobicContact CD2-CB 4.12Å; L34-I247 WeakPolarHBondContact CD2-O 3.46Å; L34-V249 HydrophobicContact CD1-CB 4.22Å; L34-V249 HydrophobicContact CD1-CG2 3.98Å
35R97.3Very high96.4Very high8 Ų829.5 Ų29.53%0.0318%0.182CC..Hα-helixtrans-63.6-53.1173.3-74.8175.8-177.6-85.26.1111.4E31 T32 Y37 G38 C39 H64 Y67 F72E31-R35 WeakPolarHBondContact O-CG 3.19Å; E31-R35 PolarHBondContact O-N 3.44Å; E31-R35 IonicContact OE1-CZ 3.81Å; E31-R35 IonicContact OE1-NE 3.86Å; E31-R35 PolarHBondContact OE1-NE 3.01Å; E31-R35 IonicContact OE1-NH2 3.28Å; E31-R35 PolarHBondContact OE1-NH2 3.31Å; T32-R35 PolarHBondContact O-N 2.9Å; R35-Y37 PolarHBondContact O-N 3.28Å; R35-G38 PolarHBondContact O-N 3.39Å; R35-C39 PolarHBondContact O-N 3.01Å; R35-C39 PolarHBondContact O-SG 3.31Å; R35-C39 VanDerWaalsContact O-SG 3.41Å; R35-H64 PolarHBondContact NH1-O 2.88Å; R35-H64 VanDerWaalsContact NH1-O 3.13Å; R35-Y67 PolarHBondContact NH2-O 3.09Å; R35-F72 HydrophobicContact CG-CE2 4.07Å; R35-F72 HydrophobicContact CG-CZ 3.74Å
36V97.4Very high96.6Very high12 Ų1226.2 Ų26.27%0.07315%0.148CC..Hα-helixtrans-59.9-44.6177.5178.60000111T32 G38 C39 D40 L238T32-V36 WeakPolarHBondContact O-CG2 3.49Å; T32-V36 PolarHBondContact O-N 3.14Å; V36-G38 VanDerWaalsContact C-N 3.33Å; V36-G38 PolarHBondContact O-N 2.93Å; V36-C39 PolarHBondContact O-N 3.42Å; V36-D40 WeakPolarHBondContact O-CB 3.46Å; V36-D40 PolarHBondContact O-N 3.47Å; V36-L238 HydrophobicContact CG2-CD1 3.98Å
37Y96.7Very high96.7Very high12 Ų1230.9 Ų30.95%0.04717%0.172CC..Hα-helixtrans-59.8-40.8177.1179.3-90.5000112.7A33 R35 D40 L41 V77 S244 Y246A33-Y37 VanDerWaalsContact O-CB 3.23Å; A33-Y37 WeakPolarHBondContact O-CB 3.38Å; A33-Y37 PolarHBondContact O-N 3.46Å; R35-Y37 PolarHBondContact O-N 3.28Å; Y37-D40 PolarHBondContact O-N 3.24Å; Y37-L41 HydrophobicContact CD1-CD1 4.03Å; Y37-L41 HydrophobicContact CD1-CG 4.33Å; Y37-L41 HydrophobicContact CE1-CD1 3.43Å; Y37-L41 VanDerWaalsContact CE1-CD1 3.43Å; Y37-L41 HydrophobicContact CE1-CD2 4.42Å; Y37-L41 HydrophobicContact CE1-CG 3.89Å; Y37-L41 WeakPolarHBondContact O-CG 3.4Å; Y37-L41 PolarHBondContact O-N 2.91Å; Y37-V77 HydrophobicContact CD1-CG1 3.98Å; Y37-V77 HydrophobicContact CE1-CG1 4.49Å; Y37-S244 WeakPolarHBondContact CA-OG 3.26Å; Y37-Y246 AromaticContact CD1-CD2 3.96Å; Y37-Y246 HydrophobicContact CD1-CD2 3.96Å; Y37-Y246 AromaticContact CE1-CD2 3.5Å; Y37-Y246 HydrophobicContact CE1-CD2 3.5Å; Y37-Y246 HydrophobicContact CE1-CE2 4.43Å; Y37-Y246 HydrophobicContact CE1-CG 4.15Å; Y37-Y246 AromaticContact CZ-CD2 3.98Å
38G97.7Very high96.8Very high0 Ų029.8 Ų29.80%017%0.166CC..Hα-helixtrans-63-45.4174.300000112.6L34 R35 V36 D40 L41 I42L34-G38 PolarHBondContact O-N 3.3Å; R35-G38 PolarHBondContact O-N 3.39Å; V36-G38 VanDerWaalsContact C-N 3.33Å; V36-G38 PolarHBondContact O-N 2.93Å; G38-D40 VanDerWaalsContact C-N 3.33Å; G38-D40 PolarHBondContact O-N 3.31Å; G38-L41 WeakPolarHBondContact O-CB 3.46Å; G38-L41 PolarHBondContact O-N 3.48Å; G38-I42 WeakPolarHBondContact O-CG1 3.47Å; G38-I42 PolarHBondContact O-N 2.84Å
39C98.1Very high97Very high0 Ų024.3 Ų24.30%014%0.141CC..Hα-helixtrans-65.7-34.8177.1-660000112.6R35 V36 I42 Q43 Q60 H64 R183R35-C39 PolarHBondContact O-N 3.01Å; R35-C39 PolarHBondContact O-SG 3.31Å; R35-C39 VanDerWaalsContact O-SG 3.41Å; V36-C39 PolarHBondContact O-N 3.42Å; C39-I42 PolarHBondContact O-N 2.9Å; C39-Q43 PolarHBondContact O-N 3.45Å; C39-Q60 HydrophobicContact CB-CG 4.03Å; C39-Q60 PolarHBondContact O-NE2 3.5Å; C39-H64 VanDerWaalsContact SG-CD2 3.56Å; C39-H64 PolarHBondContact SG-NE2 2.86Å; C39-R183 HydrophobicContact CB-CB 4.26Å; C39-R183 HydrophobicContact CB-CG 4.11Å
40D96.7Very high97.1Very high27 Ų2729.6 Ų29.614%0.14415%0.151CC..Hα-helixtrans-67.1-37.3173-66.8-15.5000111.7V36 Y37 G38 E44 R183 S244V36-D40 WeakPolarHBondContact O-CB 3.46Å; V36-D40 PolarHBondContact O-N 3.47Å; Y37-D40 PolarHBondContact O-N 3.24Å; G38-D40 VanDerWaalsContact C-N 3.33Å; G38-D40 PolarHBondContact O-N 3.31Å; D40-E44 VanDerWaalsContact O-CB 3.24Å; D40-E44 WeakPolarHBondContact O-CB 3.49Å; D40-E44 PolarHBondContact O-N 3.04Å; D40-E44 VanDerWaalsContact O-N 3.11Å; D40-R183 IonicContact OD1-CZ 3.19Å; D40-R183 VanDerWaalsContact OD1-CZ 3.28Å; D40-R183 IonicContact OD1-NE 2.95Å; D40-R183 PolarHBondContact OD1-NE 3.4Å; D40-R183 IonicContact OD1-NH2 2.74Å; D40-R183 PolarHBondContact OD1-NH2 3.34Å; D40-R183 IonicContact OD2-NH2 2.72Å; D40-S244 PolarHBondContact OD2-OG 3.34Å
41L97.2Very high97.2Very high6 Ų629.2 Ų29.23%0.03115%0.148CC..Hα-helixtrans-65.4-42.9171-72.5178.5000111.6Y37 G38 S45 K78 A81 F105 M108Y37-L41 HydrophobicContact CD1-CD1 4.03Å; Y37-L41 HydrophobicContact CD1-CG 4.33Å; Y37-L41 HydrophobicContact CE1-CD1 3.43Å; Y37-L41 VanDerWaalsContact CE1-CD1 3.43Å; Y37-L41 HydrophobicContact CE1-CD2 4.42Å; Y37-L41 HydrophobicContact CE1-CG 3.89Å; Y37-L41 WeakPolarHBondContact O-CG 3.4Å; Y37-L41 PolarHBondContact O-N 2.91Å; G38-L41 WeakPolarHBondContact O-CB 3.46Å; G38-L41 PolarHBondContact O-N 3.48Å; L41-S45 VanDerWaalsContact O-CB 3.26Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.41Å; L41-S45 PolarHBondContact O-OG 3.19Å; L41-K78 HydrophobicContact CD1-CG 4.25Å; L41-A81 HydrophobicContact CB-CB 4.37Å; L41-A81 HydrophobicContact CD1-CB 4.5Å; L41-F105 HydrophobicContact CB-CE1 4.19Å; L41-F105 HydrophobicContact CD1-CE1 4.47Å; L41-M108 HydrophobicContact CB-CE 4.25Å; L41-M108 HydrophobicContact CD2-CE 3.6Å; L41-M108 WeakPolarHBondContact O-CE 3.43Å
42I98.5Very high97.3Very high0 Ų031.9 Ų31.90%017%0.166CC..Hα-helixtrans-60.1-52.3179.5-70.5165.6000110.2G38 C39 E44 S45 G46 M56 A59 Q60 F63 A81 V85G38-I42 WeakPolarHBondContact O-CG1 3.47Å; G38-I42 PolarHBondContact O-N 2.84Å; C39-I42 PolarHBondContact O-N 2.9Å; I42-E44 PolarHBondContact O-N 3.22Å; I42-S45 PolarHBondContact O-N 3.46Å; I42-S45 PolarHBondContact O-OG 3.44Å; I42-G46 PolarHBondContact O-N 3.1Å; I42-M56 HydrophobicContact CG2-CB 4.29Å; I42-M56 HydrophobicContact CG2-CG 4.49Å; I42-A59 HydrophobicContact CD1-CB 4.49Å; I42-A59 HydrophobicContact CG2-CB 3.55Å; I42-Q60 HydrophobicContact CB-CG 4.08Å; I42-Q60 HydrophobicContact CD1-CG 4.15Å; I42-Q60 HydrophobicContact CG2-CG 3.75Å; I42-F63 HydrophobicContact CD1-CB 3.65Å; I42-F63 HydrophobicContact CD1-CD2 3.98Å; I42-F63 HydrophobicContact CD1-CG 3.82Å; I42-A81 HydrophobicContact CD1-CB 4.38Å; I42-A81 HydrophobicContact CG1-CB 3.94Å; I42-V85 HydrophobicContact CB-CG2 4.21Å; I42-V85 HydrophobicContact CG1-CG2 4.04Å; I42-V85 HydrophobicContact CG2-CG2 3.87Å
43Q97.7Very high97.4Very high51 Ų5132.1 Ų32.124%0.23816%0.164CC..Hα-helixtrans-61.5-46.4-179.7-172.863.121.800112.2C39 S45 G46 I47 M56C39-Q43 PolarHBondContact O-N 3.45Å; Q43-S45 PolarHBondContact O-N 2.97Å; Q43-G46 PolarHBondContact O-N 2.72Å; Q43-I47 HydrophobicContact CG-CD1 4.45Å; Q43-I47 WeakPolarHBondContact O-CG1 3.23Å; Q43-I47 PolarHBondContact O-N 2.7Å; Q43-M56 VanDerWaalsContact OE1-CB 3.27Å
44E97.1Very high97.4Very high33 Ų3332.7 Ų32.715%0.15417%0.169CC..Hα-helixtrans-63.1-42.6179.5-170.3-167.415200112D40 I42 G46 I47 L48 M108 R111 R112D40-E44 VanDerWaalsContact O-CB 3.24Å; D40-E44 WeakPolarHBondContact O-CB 3.49Å; D40-E44 PolarHBondContact O-N 3.04Å; D40-E44 VanDerWaalsContact O-N 3.11Å; I42-E44 PolarHBondContact O-N 3.22Å; E44-G46 VanDerWaalsContact C-N 3.33Å; E44-G46 PolarHBondContact O-N 3.12Å; E44-I47 PolarHBondContact O-N 2.74Å; E44-L48 HydrophobicContact CG-CD1 4.38Å; E44-L48 WeakPolarHBondContact O-CG 3.42Å; E44-L48 PolarHBondContact O-N 3.44Å; E44-M108 HydrophobicContact CB-CE 3.84Å; E44-M108 HydrophobicContact CG-CE 4.04Å; E44-M108 HydrophobicContact CG-SD 4.41Å; E44-M108 WeakPolarHBondContact OE1-CG 3.3Å; E44-R111 IonicContact OE1-CZ 2.9Å; E44-R111 IonicContact OE1-NH1 3.37Å; E44-R111 PolarHBondContact OE1-NH1 2.99Å; E44-R111 IonicContact OE1-NH2 2.82Å; E44-R111 PolarHBondContact OE1-NH2 3.2Å; E44-R111 IonicContact OE2-NH2 3.64Å; E44-R112 IonicContact OE2-CZ 2.73Å; E44-R112 VanDerWaalsContact OE2-CZ 3.31Å; E44-R112 IonicContact OE2-NE 2.89Å; E44-R112 PolarHBondContact OE2-NE 3.44Å; E44-R112 VanDerWaalsContact OE2-NE 3.08Å; E44-R112 IonicContact OE2-NH2 3.92Å; E44-R112 PolarHBondContact OE2-NH2 2.88Å
45S98Very high97.5Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-65.6-37.3177.9750000112.1L41 I42 Q43 I47 L48 L49 F105 M108L41-S45 VanDerWaalsContact O-CB 3.26Å; L41-S45 WeakPolarHBondContact O-CB 3.42Å; L41-S45 PolarHBondContact O-N 3.41Å; L41-S45 PolarHBondContact O-OG 3.19Å; I42-S45 PolarHBondContact O-N 3.46Å; I42-S45 PolarHBondContact O-OG 3.44Å; Q43-S45 PolarHBondContact O-N 2.97Å; S45-I47 PolarHBondContact O-N 2.72Å; S45-L48 PolarHBondContact O-N 3.18Å; S45-L49 VanDerWaalsContact O-CB 3.28Å; S45-L49 WeakPolarHBondContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CD1 3.44Å; S45-L49 WeakPolarHBondContact O-CG 3.43Å; S45-L49 PolarHBondContact O-N 3.42Å; S45-F105 WeakPolarHBondContact OG-CE2 3.26Å; S45-M108 VanDerWaalsContact CA-SD 3.55Å; S45-M108 VanDerWaalsContact CB-SD 3.57Å
46G98Very high97.5Very high0 Ų032.6 Ų32.60%017%0.169CC..Hα-helixtrans-60.1-45.117700000113.2I42 Q43 E44 L49 K50 L51 M56I42-G46 PolarHBondContact O-N 3.1Å; Q43-G46 PolarHBondContact O-N 2.72Å; E44-G46 VanDerWaalsContact C-N 3.33Å; E44-G46 PolarHBondContact O-N 3.12Å; G46-L49 PolarHBondContact O-N 2.65Å; G46-K50 PolarHBondContact O-N 3.1Å; G46-L51 PolarHBondContact O-N 2.95Å; G46-M56 WeakPolarHBondContact CA-SD 3.43Å
47I97.4Very high97.6Very high110 Ų11032.1 Ų32.156%0.56417%0.166SC*.Hα-helixtrans-60.5-47.5174.3-64.7164.5000110.4Q43 E44 S45 L49 K50Q43-I47 HydrophobicContact CG-CD1 4.45Å; Q43-I47 WeakPolarHBondContact O-CG1 3.23Å; Q43-I47 PolarHBondContact O-N 2.7Å; E44-I47 PolarHBondContact O-N 2.74Å; S45-I47 PolarHBondContact O-N 2.72Å; I47-L49 VanDerWaalsContact C-N 3.32Å; I47-L49 PolarHBondContact O-N 2.9Å; I47-K50 PolarHBondContact O-N 2.8Å
48L97.2Very high97.6Very high60 Ų6031.6 Ų31.631%0.31416%0.164SC..Hα-helixtrans-66.8-30.2179.6-69.2171.3000113.4E44 S45 K50 V104 M108E44-L48 HydrophobicContact CG-CD1 4.38Å; E44-L48 WeakPolarHBondContact O-CG 3.42Å; E44-L48 PolarHBondContact O-N 3.44Å; S45-L48 PolarHBondContact O-N 3.18Å; L48-K50 VanDerWaalsContact C-N 3.34Å; L48-V104 HydrophobicContact CB-CG1 3.8Å; L48-V104 HydrophobicContact CB-CG2 4.28Å; L48-V104 HydrophobicContact CD1-CG1 4.03Å; L48-M108 HydrophobicContact CD1-CG 3.54Å; L48-M108 HydrophobicContact CD1-SD 3.8Å
49L97.8Very high97.6Very high15 Ų1531.6 Ų31.68%0.07916%0.164CC..THydrogen-bonded Turntrans-85.6-3.8176.1-70.8164.8000113.7S45 G46 I47 L51 V85 R96 H100 I101 V104S45-L49 VanDerWaalsContact O-CB 3.28Å; S45-L49 WeakPolarHBondContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CD1 3.44Å; S45-L49 WeakPolarHBondContact O-CG 3.43Å; S45-L49 PolarHBondContact O-N 3.42Å; G46-L49 PolarHBondContact O-N 2.65Å; I47-L49 VanDerWaalsContact C-N 3.32Å; I47-L49 PolarHBondContact O-N 2.9Å; L49-L51 HydrophobicContact CB-CD1 3.8Å; L49-L51 HydrophobicContact CB-CG 3.92Å; L49-L51 HydrophobicContact CD1-CD1 3.9Å; L49-V85 HydrophobicContact CD1-CG1 3.79Å; L49-R96 PolarHBondContact O-NE 3.27Å; L49-H100 HydrophobicContact CD2-CB 3.93Å; L49-I101 HydrophobicContact CD1-CD1 3.49Å; L49-I101 VanDerWaalsContact CD1-CD1 3.49Å; L49-I101 HydrophobicContact CD2-CD1 4.07Å; L49-I101 HydrophobicContact CG-CD1 4.44Å; L49-V104 HydrophobicContact CD2-CB 4.25Å; L49-V104 HydrophobicContact CD2-CG2 3.76Å; L49-V104 HydrophobicContact CG-CB 4.31Å; L49-V104 HydrophobicContact CG-CG1 4.25Å; L49-V104 HydrophobicContact CG-CG2 4.04Å
50K97.4Very high97.7Very high179 Ų17931.7 Ų31.778%0.77817%0.165SC*.THydrogen-bonded Turntrans48.757.4-171.8-58-173.1179.8-171.60111.4G46 I47 L48 R96G46-K50 PolarHBondContact O-N 3.1Å; I47-K50 PolarHBondContact O-N 2.8Å; L48-K50 VanDerWaalsContact C-N 3.34Å; K50-R96 PolarHBondContact O-NH2 3.14Å
51L97.7Very high97.7Very high17 Ų1730.5 Ų30.59%0.08916%0.158CC..  trans-96.1150.4175.7-74.8167.2000111G46 L49 V55 M56 V85 S94 R96G46-L51 PolarHBondContact O-N 2.95Å; L49-L51 HydrophobicContact CB-CD1 3.8Å; L49-L51 HydrophobicContact CB-CG 3.92Å; L49-L51 HydrophobicContact CD1-CD1 3.9Å; L51-V55 HydrophobicContact CB-CB 4.14Å; L51-V55 HydrophobicContact CB-CG1 4.43Å; L51-V55 HydrophobicContact CB-CG2 4.31Å; L51-V55 HydrophobicContact CD1-CG1 3.95Å; L51-V55 HydrophobicContact CD2-CB 4.49Å; L51-V55 HydrophobicContact CD2-CG1 4.21Å; L51-V55 HydrophobicContact CD2-CG2 4.21Å; L51-V55 HydrophobicContact CG-CG1 4.43Å; L51-M56 HydrophobicContact CB-SD 3.73Å; L51-M56 WeakPolarHBondContact O-CE 3.26Å; L51-V85 HydrophobicContact CD1-CG1 3.85Å; L51-S94 WeakPolarHBondContact CD2-O 3.16Å; L51-R96 HydrophobicContact CD1-CG 4.44Å; L51-R96 HydrophobicContact CD2-CG 3.73Å; L51-R96 HydrophobicContact CG-CG 4.27Å
52P97.7Very high97.7Very high64 Ų6430.2 Ų30.242%0.41616%0.157SC..  trans-62.4149.5168.8-21.732.7000112.3A54 V55 M56P52-A54 PolarHBondContact O-N 2.94Å; P52-A54 VanDerWaalsContact O-N 3.16Å; P52-V55 HydrophobicContact CB-CG2 4.36Å; P52-V55 HydrophobicContact CG-CG2 4.37Å; P52-V55 WeakPolarHBondContact O-CB 3.49Å; P52-V55 WeakPolarHBondContact O-CG2 3.44Å; P52-V55 PolarHBondContact O-N 3.23Å; P52-M56 VanDerWaalsContact O-SD 3.34Å
53Q96.4Very high97.7Very high49 Ų4930.2 Ų30.223%0.22916%0.157CC..Hα-helixtrans-58.2-31.7-177.8-173.858.824.300113.6V55 M56 A57 N179Q53-V55 PolarHBondContact O-N 2.98Å; Q53-M56 PolarHBondContact O-N 3.23Å; Q53-M56 VanDerWaalsContact O-N 3.09Å; Q53-A57 PolarHBondContact O-N 3.22Å; Q53-N179 PolarHBondContact NE2-OD1 2.77Å
54A97Very high97.7Very high42 Ų4227.9 Ų27.935%0.34715%0.146SC..Hα-helixtrans-54.5-35172.900000112.9P52 A57 T58P52-A54 PolarHBondContact O-N 2.94Å; P52-A54 VanDerWaalsContact O-N 3.16Å; A54-A57 PolarHBondContact O-N 3.15Å; A54-T58 WeakPolarHBondContact O-CB 3.27Å; A54-T58 PolarHBondContact O-N 2.91Å; A54-T58 PolarHBondContact O-OG1 3.11Å
55V98.1Very high97.7Very high1 Ų126.5 Ų26.51%0.00614%0.139CC..Hα-helixtrans-67.9-39.6178.1-171.20000111.7L51 P52 Q53 A59 A88 E92L51-V55 HydrophobicContact CB-CB 4.14Å; L51-V55 HydrophobicContact CB-CG1 4.43Å; L51-V55 HydrophobicContact CB-CG2 4.31Å; L51-V55 HydrophobicContact CD1-CG1 3.95Å; L51-V55 HydrophobicContact CD2-CB 4.49Å; L51-V55 HydrophobicContact CD2-CG1 4.21Å; L51-V55 HydrophobicContact CD2-CG2 4.21Å; L51-V55 HydrophobicContact CG-CG1 4.43Å; P52-V55 HydrophobicContact CB-CG2 4.36Å; P52-V55 HydrophobicContact CG-CG2 4.37Å; P52-V55 WeakPolarHBondContact O-CB 3.49Å; P52-V55 WeakPolarHBondContact O-CG2 3.44Å; P52-V55 PolarHBondContact O-N 3.23Å; Q53-V55 PolarHBondContact O-N 2.98Å; V55-A59 WeakPolarHBondContact O-CB 3.34Å; V55-A59 PolarHBondContact O-N 3.32Å; V55-A88 HydrophobicContact CG1-CB 3.96Å; V55-A88 WeakPolarHBondContact O-CB 3.33Å; V55-E92 HydrophobicContact CB-CG 4.45Å; V55-E92 HydrophobicContact CG2-CB 3.79Å; V55-E92 HydrophobicContact CG2-CG 3.99Å
56M98.3Very high97.6Very high6 Ų626.5 Ų26.53%0.0314%0.139CC..Hα-helixtrans-70.9-40.6177.1-70.975.390.700110.7I42 Q43 G46 L51 P52 Q53 A59 Q60I42-M56 HydrophobicContact CG2-CB 4.29Å; I42-M56 HydrophobicContact CG2-CG 4.49Å; Q43-M56 VanDerWaalsContact OE1-CB 3.27Å; G46-M56 WeakPolarHBondContact CA-SD 3.43Å; L51-M56 HydrophobicContact CB-SD 3.73Å; L51-M56 WeakPolarHBondContact O-CE 3.26Å; P52-M56 VanDerWaalsContact O-SD 3.34Å; Q53-M56 PolarHBondContact O-N 3.23Å; Q53-M56 VanDerWaalsContact O-N 3.09Å; M56-A59 PolarHBondContact O-N 3.43Å; M56-Q60 WeakPolarHBondContact O-CB 3.35Å; M56-Q60 VanDerWaalsContact O-CG 3.29Å; M56-Q60 WeakPolarHBondContact O-CG 3.25Å; M56-Q60 PolarHBondContact O-N 2.9Å
57A98Very high97.6Very high2 Ų226.5 Ų26.52%0.01714%0.139CC..Hα-helixtrans-61-52.4174.700000111.9Q53 A54 A59 Q60 V61 H153 L182Q53-A57 PolarHBondContact O-N 3.22Å; A54-A57 PolarHBondContact O-N 3.15Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.94Å; A57-Q60 PolarHBondContact O-N 3.36Å; A57-Q60 VanDerWaalsContact O-N 3.13Å; A57-V61 WeakPolarHBondContact O-CG2 3.35Å; A57-V61 PolarHBondContact O-N 3.37Å; A57-H153 VanDerWaalsContact CB-CE1 3.41Å; A57-H153 WeakPolarHBondContact CB-CE1 3.4Å; A57-L182 HydrophobicContact CB-CD1 3.52Å
58T97.7Very high97.5Very high1 Ų122.1 Ų22.11%0.00612%0.118CC..Hα-helixtrans-59.8-40.9176.4-66.80000111.2A54 Q60 V61 L62 A88 L91 E92 V151 H153A54-T58 WeakPolarHBondContact O-CB 3.27Å; A54-T58 PolarHBondContact O-N 2.91Å; A54-T58 PolarHBondContact O-OG1 3.11Å; T58-Q60 PolarHBondContact O-N 3.34Å; T58-V61 PolarHBondContact O-N 3.34Å; T58-L62 HydrophobicContact CG2-CD1 4.11Å; T58-L62 HydrophobicContact CG2-CG 4.38Å; T58-L62 WeakPolarHBondContact O-CB 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.38Å; T58-L62 PolarHBondContact O-N 2.98Å; T58-A88 HydrophobicContact CG2-CB 3.83Å; T58-L91 HydrophobicContact CG2-CD1 4.21Å; T58-E92 WeakPolarHBondContact CB-OE1 3.43Å; T58-E92 PolarHBondContact OG1-OE1 2.65Å; T58-V151 HydrophobicContact CG2-CB 4.49Å; T58-V151 HydrophobicContact CG2-CG2 4.17Å; T58-H153 PolarHBondContact N-CE1 3.04Å; T58-H153 VanDerWaalsContact N-CE1 3.27Å; T58-H153 PolarHBondContact N-NE2 3.3Å; T58-H153 PolarHBondContact OG1-NE2 2.91Å
59A98.5Very high97.4Very high0 Ų023.6 Ų23.60%012%0.122CC..Hα-helixtrans-63.4-39.7174.900000113.3I42 V55 M56 A57 F63 C84 V85 A88I42-A59 HydrophobicContact CD1-CB 4.49Å; I42-A59 HydrophobicContact CG2-CB 3.55Å; V55-A59 WeakPolarHBondContact O-CB 3.34Å; V55-A59 PolarHBondContact O-N 3.32Å; M56-A59 PolarHBondContact O-N 3.43Å; A57-A59 VanDerWaalsContact C-N 3.31Å; A57-A59 PolarHBondContact O-N 2.94Å; A59-F63 WeakPolarHBondContact O-CB 3.45Å; A59-F63 PolarHBondContact O-N 2.98Å; A59-C84 HydrophobicContact CB-CB 4.14Å; A59-C84 WeakPolarHBondContact O-CB 3.4Å; A59-V85 HydrophobicContact CB-CG2 4.06Å; A59-A88 HydrophobicContact CB-CB 3.77Å
60Q98.4Very high97.3Very high3 Ų325.2 Ų25.21%0.01413%0.128CC..Hα-helixtrans-65.8-44.1176.6-76.2168.5-27.800111.3C39 I42 M56 A57 T58 F63 H64 L182C39-Q60 HydrophobicContact CB-CG 4.03Å; C39-Q60 PolarHBondContact O-NE2 3.5Å; I42-Q60 HydrophobicContact CB-CG 4.08Å; I42-Q60 HydrophobicContact CD1-CG 4.15Å; I42-Q60 HydrophobicContact CG2-CG 3.75Å; M56-Q60 WeakPolarHBondContact O-CB 3.35Å; M56-Q60 VanDerWaalsContact O-CG 3.29Å; M56-Q60 WeakPolarHBondContact O-CG 3.25Å; M56-Q60 PolarHBondContact O-N 2.9Å; A57-Q60 PolarHBondContact O-N 3.36Å; A57-Q60 VanDerWaalsContact O-N 3.13Å; T58-Q60 PolarHBondContact O-N 3.34Å; Q60-F63 WeakPolarHBondContact O-CB 3.35Å; Q60-F63 PolarHBondContact O-N 2.91Å; Q60-H64 PolarHBondContact O-CD2 2.9Å; Q60-H64 PolarHBondContact O-N 3.29Å; Q60-L182 HydrophobicContact CB-CB 4.26Å
61V97.6Very high97.2Very high2 Ų216.8 Ų16.81%0.0129%0.092CC..Hα-helixtrans-65.3-44.5176.4-1790000111.8A57 T58 F63 H64 R65 V151 L182 C187A57-V61 WeakPolarHBondContact O-CG2 3.35Å; A57-V61 PolarHBondContact O-N 3.37Å; T58-V61 PolarHBondContact O-N 3.34Å; V61-F63 VanDerWaalsContact C-N 3.28Å; V61-F63 PolarHBondContact O-N 3.1Å; V61-H64 PolarHBondContact O-N 2.87Å; V61-R65 HydrophobicContact CG1-CG 4.28Å; V61-R65 VanDerWaalsContact CG1-NE 3.28Å; V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 VanDerWaalsContact O-CG 3.28Å; V61-R65 WeakPolarHBondContact O-CG 3.3Å; V61-R65 PolarHBondContact O-N 3.16Å; V61-V151 HydrophobicContact CB-CG1 3.7Å; V61-V151 HydrophobicContact CB-CG2 4.13Å; V61-V151 HydrophobicContact CG1-CG1 3.7Å; V61-V151 HydrophobicContact CG1-CG2 3.96Å; V61-V151 HydrophobicContact CG2-CG1 3.72Å; V61-L182 HydrophobicContact CG2-CD2 3.67Å; V61-C187 HydrophobicContact CG1-CB 4.5Å; V61-C187 HydrophobicContact CG2-CB 3.85Å
62L97.6Very high97.2Very high0 Ų016.1 Ų16.10%09%0.088CC..Hα-helixtrans-56.8-42.2173.5-71.9174.1000112T58 F66 C84 L87 A88 L91 M145 C149T58-L62 HydrophobicContact CG2-CD1 4.11Å; T58-L62 HydrophobicContact CG2-CG 4.38Å; T58-L62 WeakPolarHBondContact O-CB 3.23Å; T58-L62 WeakPolarHBondContact O-CG 3.38Å; T58-L62 PolarHBondContact O-N 2.98Å; L62-F66 WeakPolarHBondContact O-CB 3.49Å; L62-F66 PolarHBondContact O-N 3.15Å; L62-C84 HydrophobicContact CB-CB 4.48Å; L62-L87 HydrophobicContact CD1-CD2 4.17Å; L62-L87 HydrophobicContact CD1-CG 4.15Å; L62-A88 HydrophobicContact CD1-CB 4.25Å; L62-L91 HydrophobicContact CD1-CD1 3.95Å; L62-M145 HydrophobicContact CD2-CE 3.62Å; L62-M145 HydrophobicContact CD2-CG 4.41Å; L62-M145 HydrophobicContact CD2-SD 4.21Å; L62-C149 HydrophobicContact CD2-CB 4.41Å
63F98.2Very high97Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-64-47.7176.8176.3-84.9000111.7I42 A59 Q60 V61 R65 F66 Y67 F72 V77 V80 A81 C84I42-F63 HydrophobicContact CD1-CB 3.65Å; I42-F63 HydrophobicContact CD1-CD2 3.98Å; I42-F63 HydrophobicContact CD1-CG 3.82Å; A59-F63 WeakPolarHBondContact O-CB 3.45Å; A59-F63 PolarHBondContact O-N 2.98Å; Q60-F63 WeakPolarHBondContact O-CB 3.35Å; Q60-F63 PolarHBondContact O-N 2.91Å; V61-F63 VanDerWaalsContact C-N 3.28Å; V61-F63 PolarHBondContact O-N 3.1Å; F63-R65 PolarHBondContact O-N 3.28Å; F63-F66 PolarHBondContact O-N 3.15Å; F63-Y67 HydrophobicContact CD1-CD2 4.3Å; F63-Y67 HydrophobicContact CD2-CD2 4.22Å; F63-Y67 AromaticContact CD2-CE2 3.92Å; F63-Y67 HydrophobicContact CD2-CE2 3.92Å; F63-Y67 HydrophobicContact CE1-CD2 4.02Å; F63-Y67 HydrophobicContact CE1-CE2 4.32Å; F63-Y67 AromaticContact CE2-CD2 3.95Å; F63-Y67 HydrophobicContact CE2-CD2 3.95Å; F63-Y67 AromaticContact CE2-CE2 3.45Å; F63-Y67 HydrophobicContact CE2-CE2 3.45Å; F63-Y67 VanDerWaalsContact CE2-CE2 3.45Å; F63-Y67 HydrophobicContact CG-CD2 4.37Å; F63-Y67 AromaticContact CZ-CD2 3.81Å; F63-Y67 HydrophobicContact CZ-CD2 3.81Å; F63-Y67 AromaticContact CZ-CE2 3.65Å; F63-Y67 HydrophobicContact CZ-CE2 3.65Å; F63-Y67 WeakPolarHBondContact O-CD2 3.31Å; F63-Y67 PolarHBondContact O-N 2.95Å; F63-F72 HydrophobicContact CZ-CE1 4.12Å; F63-V77 HydrophobicContact CE2-CG1 4.06Å; F63-V77 HydrophobicContact CZ-CG1 3.99Å; F63-V80 HydrophobicContact CD2-CG1 3.95Å; F63-V80 HydrophobicContact CE2-CG1 4.37Å; F63-A81 HydrophobicContact CD2-CB 4.31Å; F63-A81 HydrophobicContact CE2-CB 4.25Å; F63-C84 HydrophobicContact CB-CB 4.37Å
64H97.9Very high96.9Very high1 Ų119 Ų191%0.0059%0.091CC..Hα-helixtrans-60.2-45.5176.8-91.1-90.3000112.1R35 C39 Q60 V61 Y67 C68 T184 V188R35-H64 PolarHBondContact NH1-O 2.88Å; R35-H64 VanDerWaalsContact NH1-O 3.13Å; C39-H64 VanDerWaalsContact SG-CD2 3.56Å; C39-H64 PolarHBondContact SG-NE2 2.86Å; Q60-H64 PolarHBondContact O-CD2 2.9Å; Q60-H64 PolarHBondContact O-N 3.29Å; V61-H64 PolarHBondContact O-N 2.87Å; H64-Y67 PolarHBondContact O-N 3.02Å; H64-C68 PolarHBondContact O-N 3.31Å; H64-C68 PolarHBondContact O-SG 2.93Å; H64-T184 PolarHBondContact CE1-O 3.04Å; H64-T184 PolarHBondContact ND1-O 2.78Å; H64-V188 HydrophobicContact CB-CG1 4.3Å
65R96.7Very high96.7Very high4 Ų418.9 Ų18.92%0.0158%0.082CC..Hα-helixtrans-61.8-44.5177.7-72.3178.8-177.9176.43.8112.5D7 F9 V61 F63 Y67 C68 K69 M145 H150 V188D7-R65 VanDerWaalsContact CG-NH1 3.26Å; D7-R65 IonicContact OD1-CZ 3.88Å; D7-R65 VanDerWaalsContact OD1-CZ 3.25Å; D7-R65 IonicContact OD1-NH1 3.1Å; D7-R65 PolarHBondContact OD1-NH1 3.27Å; D7-R65 IonicContact OD1-NH2 3.52Å; D7-R65 PolarHBondContact OD1-NH2 3.33Å; D7-R65 VanDerWaalsContact OD1-NH2 3.09Å; D7-R65 IonicContact OD2-CZ 3.34Å; D7-R65 VanDerWaalsContact OD2-CZ 3.23Å; D7-R65 IonicContact OD2-NH1 2.64Å; D7-R65 PolarHBondContact OD2-NH1 2.91Å; D7-R65 IonicContact OD2-NH2 2.81Å; D7-R65 PolarHBondContact OD2-NH2 3.07Å; F9-R65 HydrophobicContact CB-CG 4.36Å; F9-R65 HydrophobicContact CD1-CB 4.36Å; F9-R65 HydrophobicContact CD1-CG 3.7Å; F9-R65 HydrophobicContact CD2-CB 4.04Å; F9-R65 HydrophobicContact CD2-CG 3.86Å; F9-R65 HydrophobicContact CE1-CB 4.06Å; F9-R65 HydrophobicContact CE1-CG 3.83Å; F9-R65 HydrophobicContact CE2-CB 3.69Å; F9-R65 HydrophobicContact CE2-CG 3.99Å; F9-R65 HydrophobicContact CG-CB 4.37Å; F9-R65 HydrophobicContact CG-CG 3.72Å; F9-R65 HydrophobicContact CZ-CB 3.72Å; F9-R65 HydrophobicContact CZ-CG 3.98Å; F9-R65 VanDerWaalsContact CZ-O 3.31Å; F9-R65 WeakPolarHBondContact CZ-O 3.43Å; V61-R65 HydrophobicContact CG1-CG 4.28Å; V61-R65 VanDerWaalsContact CG1-NE 3.28Å; V61-R65 WeakPolarHBondContact O-CB 3.27Å; V61-R65 VanDerWaalsContact O-CG 3.28Å; V61-R65 WeakPolarHBondContact O-CG 3.3Å; V61-R65 PolarHBondContact O-N 3.16Å; F63-R65 PolarHBondContact O-N 3.28Å; R65-Y67 VanDerWaalsContact C-N 3.35Å; R65-Y67 PolarHBondContact O-N 2.93Å; R65-C68 PolarHBondContact O-N 3.29Å; R65-C68 VanDerWaalsContact O-N 3.12Å; R65-K69 PolarHBondContact O-N 3.39Å; R65-M145 HydrophobicContact CB-CE 4.44Å; R65-M145 HydrophobicContact CB-SD 3.72Å; R65-H150 PolarHBondContact NH1-O 3.16Å; R65-H150 VanDerWaalsContact NH1-O 3.14Å; R65-V188 HydrophobicContact CG-CG1 3.56Å
66F97Very high96.6Very high1 Ų119 Ų190%0.0048%0.083CC..Hα-helixtrans-57.5-47.5177.1-175.6-99000111.8L62 F63 C68 K69 K70 F75 V80 H140 L141 E144L62-F66 WeakPolarHBondContact O-CB 3.49Å; L62-F66 PolarHBondContact O-N 3.15Å; F63-F66 PolarHBondContact O-N 3.15Å; F66-C68 PolarHBondContact O-N 3.45Å; F66-K69 CarbonylContact O-C 2.94Å; F66-K69 PolarHBondContact O-N 3.49Å; F66-K70 HydrophobicContact CD1-CB 4.29Å; F66-K70 HydrophobicContact CE1-CB 3.82Å; F66-K70 HydrophobicContact CE1-CG 4.3Å; F66-K70 HydrophobicContact CE2-CB 4.45Å; F66-K70 HydrophobicContact CE2-CG 4.08Å; F66-K70 HydrophobicContact CZ-CB 3.92Å; F66-K70 HydrophobicContact CZ-CG 3.86Å; F66-K70 PolarHBondContact O-N 2.77Å; F66-F75 HydrophobicContact CE1-CB 3.72Å; F66-F75 AromaticContact CE1-CD1 3.99Å; F66-F75 HydrophobicContact CE1-CD1 3.99Å; F66-F75 HydrophobicContact CE1-CD2 4.19Å; F66-F75 AromaticContact CE1-CG 3.69Å; F66-F75 HydrophobicContact CE1-CG 3.69Å; F66-F75 HydrophobicContact CZ-CB 4.21Å; F66-F75 AromaticContact CZ-CD1 3.61Å; F66-F75 HydrophobicContact CZ-CD1 3.61Å; F66-F75 HydrophobicContact CZ-CD2 4Å; F66-F75 AromaticContact CZ-CE1 3.92Å; F66-F75 HydrophobicContact CZ-CE1 3.92Å; F66-F75 HydrophobicContact CZ-CE2 4.31Å; F66-F75 AromaticContact CZ-CG 3.65Å; F66-F75 HydrophobicContact CZ-CG 3.65Å; F66-F75 HydrophobicContact CZ-CZ 4.26Å; F66-V80 HydrophobicContact CD1-CG1 3.77Å; F66-V80 HydrophobicContact CD1-CG2 4.16Å; F66-V80 HydrophobicContact CE1-CG1 4.2Å; F66-V80 HydrophobicContact CE1-CG2 3.74Å; F66-V80 HydrophobicContact CG-CG1 4.32Å; F66-V80 HydrophobicContact CZ-CG2 4.41Å; F66-H140 HydrophobicContact CE2-CB 4.34Å; F66-L141 HydrophobicContact CB-CD2 3.66Å; F66-L141 HydrophobicContact CD2-CD2 3.55Å; F66-L141 HydrophobicContact CD2-CG 4.09Å; F66-L141 HydrophobicContact CE2-CD2 4.34Å; F66-L141 HydrophobicContact CE2-CG 4.43Å; F66-L141 HydrophobicContact CG-CD2 3.66Å; F66-E144 HydrophobicContact CD2-CB 4.14Å; F66-E144 HydrophobicContact CD2-CG 4.21Å; F66-E144 HydrophobicContact CE2-CB 4.25Å; F66-E144 HydrophobicContact CE2-CG 3.82Å
67Y97.1Very high96.5Very high0 Ų018.9 Ų18.90%08%0.083CC..Hα-helixtrans-76.8-0.5179.2-74.3-68.5000115.3R35 F63 H64 R65 K70 F72 F75 S76 V77 V80R35-Y67 PolarHBondContact NH2-O 3.09Å; F63-Y67 HydrophobicContact CD1-CD2 4.3Å; F63-Y67 HydrophobicContact CD2-CD2 4.22Å; F63-Y67 AromaticContact CD2-CE2 3.92Å; F63-Y67 HydrophobicContact CD2-CE2 3.92Å; F63-Y67 HydrophobicContact CE1-CD2 4.02Å; F63-Y67 HydrophobicContact CE1-CE2 4.32Å; F63-Y67 AromaticContact CE2-CD2 3.95Å; F63-Y67 HydrophobicContact CE2-CD2 3.95Å; F63-Y67 AromaticContact CE2-CE2 3.45Å; F63-Y67 HydrophobicContact CE2-CE2 3.45Å; F63-Y67 VanDerWaalsContact CE2-CE2 3.45Å; F63-Y67 HydrophobicContact CG-CD2 4.37Å; F63-Y67 AromaticContact CZ-CD2 3.81Å; F63-Y67 HydrophobicContact CZ-CD2 3.81Å; F63-Y67 AromaticContact CZ-CE2 3.65Å; F63-Y67 HydrophobicContact CZ-CE2 3.65Å; F63-Y67 WeakPolarHBondContact O-CD2 3.31Å; F63-Y67 PolarHBondContact O-N 2.95Å; H64-Y67 PolarHBondContact O-N 3.02Å; R65-Y67 VanDerWaalsContact C-N 3.35Å; R65-Y67 PolarHBondContact O-N 2.93Å; Y67-K70 CarbonylContact C-O 3.54Å; Y67-K70 WeakPolarHBondContact CA-O 3.48Å; Y67-K70 WeakPolarHBondContact CD1-O 3.44Å; Y67-F72 AromaticContact CD1-CD1 3.52Å; Y67-F72 HydrophobicContact CD1-CD1 3.52Å; Y67-F72 AromaticContact CD1-CD2 3.98Å; Y67-F72 HydrophobicContact CD1-CD2 3.98Å; Y67-F72 AromaticContact CD1-CE1 3.41Å; Y67-F72 HydrophobicContact CD1-CE1 3.41Å; Y67-F72 VanDerWaalsContact CD1-CE1 3.41Å; Y67-F72 AromaticContact CD1-CE2 3.85Å; Y67-F72 HydrophobicContact CD1-CE2 3.85Å; Y67-F72 AromaticContact CD1-CG 3.81Å; Y67-F72 HydrophobicContact CD1-CG 3.81Å; Y67-F72 AromaticContact CD1-CZ 3.58Å; Y67-F72 HydrophobicContact CD1-CZ 3.58Å; Y67-F72 HydrophobicContact CD2-CD1 4.32Å; Y67-F72 AromaticContact CD2-CE1 3.47Å; Y67-F72 HydrophobicContact CD2-CE1 3.47Å; Y67-F72 VanDerWaalsContact CD2-CE1 3.47Å; Y67-F72 AromaticContact CD2-CZ 3.65Å; Y67-F72 HydrophobicContact CD2-CZ 3.65Å; Y67-F72 HydrophobicContact CE1-CB 4.38Å; Y67-F72 AromaticContact CE1-CD1 3.18Å; Y67-F72 HydrophobicContact CE1-CD1 3.18Å; Y67-F72 HydrophobicContact CE1-CD2 4.39Å; Y67-F72 AromaticContact CE1-CE1 3.39Å; Y67-F72 HydrophobicContact CE1-CE1 3.39Å; Y67-F72 AromaticContact CE1-CG 3.75Å; Y67-F72 HydrophobicContact CE1-CG 3.75Å; Y67-F72 HydrophobicContact CE1-CZ 4.07Å; Y67-F72 HydrophobicContact CE2-CD1 4.04Å; Y67-F72 AromaticContact CE2-CE1 3.44Å; Y67-F72 HydrophobicContact CE2-CE1 3.44Å; Y67-F72 VanDerWaalsContact CE2-CE1 3.44Å; Y67-F72 HydrophobicContact CE2-CZ 4.12Å; Y67-F72 HydrophobicContact CG-CD1 4.07Å; Y67-F72 HydrophobicContact CG-CD2 4.49Å; Y67-F72 AromaticContact CG-CE1 3.44Å; Y67-F72 HydrophobicContact CG-CE1 3.44Å; Y67-F72 VanDerWaalsContact CG-CE1 3.44Å; Y67-F72 AromaticContact CG-CE2 3.9Å; Y67-F72 HydrophobicContact CG-CE2 3.9Å; Y67-F72 AromaticContact CG-CZ 3.34Å; Y67-F72 HydrophobicContact CG-CZ 3.34Å; Y67-F72 AromaticContact CZ-CD1 3.44Å; Y67-F72 VanDerWaalsContact CZ-CD1 3.44Å; Y67-F72 AromaticContact CZ-CE1 3.36Å; Y67-F75 HydrophobicContact CE1-CB 4.19Å; Y67-F75 WeakPolarHBondContact CE1-O 3.34Å; Y67-F75 PolarHBondContact OH-O 3.04Å; Y67-S76 PolarHBondContact OH-O 2.77Å; Y67-V77 PolarHBondContact OH-N 2.99Å; Y67-V80 HydrophobicContact CE2-CB 4.01Å; Y67-V80 HydrophobicContact CE2-CG1 3.67Å; Y67-V80 HydrophobicContact CE2-CG2 4.4Å; Y67-V80 WeakPolarHBondContact OH-CG2 3.49Å
68C95.8Very high96.3Very high17 Ų1719.1 Ų19.112%0.1158%0.084CC..Hα-helixtrans-85.4-20162.5-57.40000112.2F9 L11 P20 H64 R65 F66F9-C68 HydrophobicContact CE1-CB 4.09Å; F9-C68 HydrophobicContact CZ-CB 4.13Å; L11-C68 HydrophobicContact CD1-CB 3.47Å; L11-C68 VanDerWaalsContact CD1-CB 3.47Å; P20-C68 VanDerWaalsContact CD-O 3.32Å; P20-C68 WeakPolarHBondContact CD-O 3.36Å; P20-C68 WeakPolarHBondContact CG-O 3.16Å; H64-C68 PolarHBondContact O-N 3.31Å; H64-C68 PolarHBondContact O-SG 2.93Å; R65-C68 PolarHBondContact O-N 3.29Å; R65-C68 VanDerWaalsContact O-N 3.12Å; F66-C68 PolarHBondContact O-N 3.45Å
69K95Very high96.2Very high91 Ų9121 Ų2140%0.3969%0.091SC..Hα-helixtrans-105.9-14.4178.2-73.3177.4170.2173.70114F9 R65 F66 E144F9-K69 HydrophobicContact CE2-CD 3.93Å; F9-K69 HydrophobicContact CE2-CG 4.47Å; F9-K69 HydrophobicContact CZ-CD 4.19Å; F9-K69 HydrophobicContact CZ-CG 4.22Å; R65-K69 PolarHBondContact O-N 3.39Å; F66-K69 CarbonylContact O-C 2.94Å; F66-K69 PolarHBondContact O-N 3.49Å; K69-E144 HydrophobicContact CD-CB 4.48Å; K69-E144 WeakPolarHBondContact CD-O 3.46Å; K69-E144 PolarHBondContact NZ-O 2.95Å
70K95.6Very high96.1Very high50 Ų5021 Ų2122%0.2179%0.091CC..SBendtrans-140156.4-178.2-69.3-63176.4-78.70112.4F66 Y67 F75 E144F66-K70 HydrophobicContact CD1-CB 4.29Å; F66-K70 HydrophobicContact CE1-CB 3.82Å; F66-K70 HydrophobicContact CE1-CG 4.3Å; F66-K70 HydrophobicContact CE2-CB 4.45Å; F66-K70 HydrophobicContact CE2-CG 4.08Å; F66-K70 HydrophobicContact CZ-CB 3.92Å; F66-K70 HydrophobicContact CZ-CG 3.86Å; F66-K70 PolarHBondContact O-N 2.77Å; Y67-K70 CarbonylContact C-O 3.54Å; Y67-K70 WeakPolarHBondContact CA-O 3.48Å; Y67-K70 WeakPolarHBondContact CD1-O 3.44Å; K70-F75 HydrophobicContact CB-CD2 3.91Å; K70-F75 HydrophobicContact CB-CE2 4.28Å; K70-F75 HydrophobicContact CD-CD2 4.21Å; K70-F75 HydrophobicContact CD-CE2 3.75Å; K70-F75 HydrophobicContact CG-CD2 4.14Å; K70-F75 HydrophobicContact CG-CE2 4Å; K70-E144 WeakPolarHBondContact CE-OE1 3.42Å; K70-E144 HydrophobicContact CG-CG 4.14Å; K70-E144 IonicContact NZ-OE1 2.74Å; K70-E144 PolarHBondContact NZ-OE1 3.37Å; K70-E144 IonicContact NZ-OE2 3.71Å; K70-E144 PolarHBondContact NZ-OE2 2.93Å
71S96Very high96.1Very high2 Ų220.9 Ų20.91%0.0149%0.09CC..  trans-96.5142.5-173.4161.60000112.3P20 S21 D24 V73 R74 F75P20-S71 WeakPolarHBondContact O-CB 3.27Å; S21-S71 WeakPolarHBondContact OG-CA 3.48Å; D24-S71 WeakPolarHBondContact CB-OG 3.43Å; D24-S71 WeakPolarHBondContact OD2-CB 3.4Å; D24-S71 PolarHBondContact OD2-OG 2.73Å; S71-V73 PolarHBondContact O-N 3.41Å; S71-V73 WeakPolarHBondContact OG-CB 3.48Å; S71-V73 PolarHBondContact OG-N 2.79Å; S71-R74 PolarHBondContact O-N 3.44Å; S71-F75 PolarHBondContact O-N 2.89Å
72F96.1Very high96.2Very high2 Ų220.8 Ų20.81%0.0099%0.09CC..THydrogen-bonded Turntrans-63-23171.5-67.2-75000113.5S21 I26 E31 L34 R35 F63 Y67 R74 V77 Y250S21-F72 VanDerWaalsContact OG-CD2 3.28Å; S21-F72 WeakPolarHBondContact OG-CD2 3.05Å; S21-F72 PolarHBondContact OG-N 3.09Å; I26-F72 HydrophobicContact CD1-CB 3.76Å; E31-F72 HydrophobicContact CG-CD2 3.83Å; E31-F72 HydrophobicContact CG-CE2 3.52Å; L34-F72 HydrophobicContact CB-CD1 4.2Å; L34-F72 HydrophobicContact CB-CD2 4.45Å; L34-F72 HydrophobicContact CB-CE1 4.08Å; L34-F72 HydrophobicContact CB-CE2 4.38Å; L34-F72 HydrophobicContact CB-CG 4.38Å; L34-F72 HydrophobicContact CB-CZ 4.19Å; L34-F72 HydrophobicContact CD1-CB 3.94Å; L34-F72 HydrophobicContact CD1-CD1 4.32Å; L34-F72 HydrophobicContact CD1-CD2 4.27Å; L34-F72 HydrophobicContact CD1-CG 3.93Å; R35-F72 HydrophobicContact CG-CE2 4.07Å; R35-F72 HydrophobicContact CG-CZ 3.74Å; F63-F72 HydrophobicContact CZ-CE1 4.12Å; Y67-F72 AromaticContact CD1-CD1 3.52Å; Y67-F72 HydrophobicContact CD1-CD1 3.52Å; Y67-F72 AromaticContact CD1-CD2 3.98Å; Y67-F72 HydrophobicContact CD1-CD2 3.98Å; Y67-F72 AromaticContact CD1-CE1 3.41Å; Y67-F72 HydrophobicContact CD1-CE1 3.41Å; Y67-F72 VanDerWaalsContact CD1-CE1 3.41Å; Y67-F72 AromaticContact CD1-CE2 3.85Å; Y67-F72 HydrophobicContact CD1-CE2 3.85Å; Y67-F72 AromaticContact CD1-CG 3.81Å; Y67-F72 HydrophobicContact CD1-CG 3.81Å; Y67-F72 AromaticContact CD1-CZ 3.58Å; Y67-F72 HydrophobicContact CD1-CZ 3.58Å; Y67-F72 HydrophobicContact CD2-CD1 4.32Å; Y67-F72 AromaticContact CD2-CE1 3.47Å; Y67-F72 HydrophobicContact CD2-CE1 3.47Å; Y67-F72 VanDerWaalsContact CD2-CE1 3.47Å; Y67-F72 AromaticContact CD2-CZ 3.65Å; Y67-F72 HydrophobicContact CD2-CZ 3.65Å; Y67-F72 HydrophobicContact CE1-CB 4.38Å; Y67-F72 AromaticContact CE1-CD1 3.18Å; Y67-F72 HydrophobicContact CE1-CD1 3.18Å; Y67-F72 HydrophobicContact CE1-CD2 4.39Å; Y67-F72 AromaticContact CE1-CE1 3.39Å; Y67-F72 HydrophobicContact CE1-CE1 3.39Å; Y67-F72 AromaticContact CE1-CG 3.75Å; Y67-F72 HydrophobicContact CE1-CG 3.75Å; Y67-F72 HydrophobicContact CE1-CZ 4.07Å; Y67-F72 HydrophobicContact CE2-CD1 4.04Å; Y67-F72 AromaticContact CE2-CE1 3.44Å; Y67-F72 HydrophobicContact CE2-CE1 3.44Å; Y67-F72 VanDerWaalsContact CE2-CE1 3.44Å; Y67-F72 HydrophobicContact CE2-CZ 4.12Å; Y67-F72 HydrophobicContact CG-CD1 4.07Å; Y67-F72 HydrophobicContact CG-CD2 4.49Å; Y67-F72 AromaticContact CG-CE1 3.44Å; Y67-F72 HydrophobicContact CG-CE1 3.44Å; Y67-F72 VanDerWaalsContact CG-CE1 3.44Å; Y67-F72 AromaticContact CG-CE2 3.9Å; Y67-F72 HydrophobicContact CG-CE2 3.9Å; Y67-F72 AromaticContact CG-CZ 3.34Å; Y67-F72 HydrophobicContact CG-CZ 3.34Å; Y67-F72 AromaticContact CZ-CD1 3.44Å; Y67-F72 VanDerWaalsContact CZ-CD1 3.44Å; Y67-F72 AromaticContact CZ-CE1 3.36Å; F72-R74 PolarHBondContact O-N 2.9Å; F72-V77 HydrophobicContact CD1-CG2 3.48Å; F72-V77 VanDerWaalsContact CD1-CG2 3.48Å; F72-V77 HydrophobicContact CE1-CG2 3.72Å; F72-Y250 WeakPolarHBondContact O-CA 3.44Å
73V94.5Very high96.2Very high20 Ų2020.8 Ų20.812%0.1219%0.09CC..THydrogen-bonded Turntrans-66-30.4171.9-173.70000111.5D24 I26 S71 V249 Y250 K251D24-V73 HydrophobicContact CB-CB 4.11Å; D24-V73 HydrophobicContact CB-CG2 3.66Å; I26-V73 HydrophobicContact CD1-CG2 3.59Å; I26-V73 HydrophobicContact CG1-CG2 3.87Å; S71-V73 PolarHBondContact O-N 3.41Å; S71-V73 WeakPolarHBondContact OG-CB 3.48Å; S71-V73 PolarHBondContact OG-N 2.79Å; V73-V249 HydrophobicContact CG2-CG1 3.84Å; V73-Y250 WeakPolarHBondContact O-CD2 3.44Å; V73-K251 HydrophobicContact CG1-CD 4.04Å; V73-K251 HydrophobicContact CG1-CG 3.93Å; V73-K251 PolarHBondContact O-N 3.49Å
74R92.9Very high96.2Very high155 Ų15520.8 Ų20.859%0.5859%0.09SC*.THydrogen-bonded Turntrans-102.9-19.6-172.7-54.5-176-164-154.63.8113.8D24 S71 F72 Y250D24-R74 IonicContact OD1-CZ 3.31Å; D24-R74 IonicContact OD1-NE 2.69Å; D24-R74 PolarHBondContact OD1-NE 2.81Å; D24-R74 IonicContact OD1-NH2 2.56Å; D24-R74 PolarHBondContact OD1-NH2 3.31Å; D24-R74 WeakPolarHBondContact OD2-CG 3.07Å; D24-R74 IonicContact OD2-CZ 3.08Å; D24-R74 IonicContact OD2-NE 3.18Å; D24-R74 PolarHBondContact OD2-NE 2.9Å; D24-R74 IonicContact OD2-NH2 2.69Å; S71-R74 PolarHBondContact O-N 3.44Å; F72-R74 PolarHBondContact O-N 2.9Å; R74-Y250 WeakPolarHBondContact O-CE2 3.48Å
75F94.5Very high96.2Very high38 Ų3820.8 Ų20.817%0.1679%0.09CC..SBendtrans-138.5114.6179.5-73.2-91000111.2F66 Y67 K70 S71 V80 H140F66-F75 HydrophobicContact CE1-CB 3.72Å; F66-F75 AromaticContact CE1-CD1 3.99Å; F66-F75 HydrophobicContact CE1-CD1 3.99Å; F66-F75 HydrophobicContact CE1-CD2 4.19Å; F66-F75 AromaticContact CE1-CG 3.69Å; F66-F75 HydrophobicContact CE1-CG 3.69Å; F66-F75 HydrophobicContact CZ-CB 4.21Å; F66-F75 AromaticContact CZ-CD1 3.61Å; F66-F75 HydrophobicContact CZ-CD1 3.61Å; F66-F75 HydrophobicContact CZ-CD2 4Å; F66-F75 AromaticContact CZ-CE1 3.92Å; F66-F75 HydrophobicContact CZ-CE1 3.92Å; F66-F75 HydrophobicContact CZ-CE2 4.31Å; F66-F75 AromaticContact CZ-CG 3.65Å; F66-F75 HydrophobicContact CZ-CG 3.65Å; F66-F75 HydrophobicContact CZ-CZ 4.26Å; Y67-F75 HydrophobicContact CE1-CB 4.19Å; Y67-F75 WeakPolarHBondContact CE1-O 3.34Å; Y67-F75 PolarHBondContact OH-O 3.04Å; K70-F75 HydrophobicContact CB-CD2 3.91Å; K70-F75 HydrophobicContact CB-CE2 4.28Å; K70-F75 HydrophobicContact CD-CD2 4.21Å; K70-F75 HydrophobicContact CD-CE2 3.75Å; K70-F75 HydrophobicContact CG-CD2 4.14Å; K70-F75 HydrophobicContact CG-CE2 4Å; S71-F75 PolarHBondContact O-N 2.89Å; F75-V80 HydrophobicContact CB-CG2 4.06Å; F75-V80 HydrophobicContact CD1-CG2 4.5Å; F75-H140 HydrophobicContact CE1-CB 4.06Å; F75-H140 AromaticContact CE1-CD2 3.99Å; F75-H140 AromaticContact CE1-CG 3.89Å; F75-H140 HydrophobicContact CZ-CB 4.48Å; F75-H140 AromaticContact CZ-CD2 3.82Å
76S94.5Very high96.3Very high3 Ų322.4 Ų22.42%0.02110%0.096CC..  trans-37.2127.2165.5149.40000115.2Y67 K78 R79 V80 D254Y67-S76 PolarHBondContact OH-O 2.77Å; S76-K78 PolarHBondContact OG-N 3.48Å; S76-R79 WeakPolarHBondContact OG-CB 3.35Å; S76-R79 WeakPolarHBondContact OG-CD 3.35Å; S76-R79 WeakPolarHBondContact OG-CG 3.45Å; S76-R79 PolarHBondContact OG-N 2.96Å; S76-V80 VanDerWaalsContact O-CB 3.31Å; S76-V80 WeakPolarHBondContact O-CB 3.21Å; S76-V80 WeakPolarHBondContact O-CG2 3.18Å; S76-V80 PolarHBondContact O-N 3.16Å; S76-V80 VanDerWaalsContact O-N 3.14Å; S76-D254 WeakPolarHBondContact CB-OD1 3.25Å; S76-D254 PolarHBondContact OG-OD1 2.96Å; S76-D254 PolarHBondContact OG-OD2 3.42Å
77V96.1Very high96.3Very high5 Ų522.6 Ų22.63%0.0310%0.097CC..Hα-helixtrans-63-46.6171.3179.70000110.9L34 Y37 F63 Y67 F72 R79 V80 A81 Y246L34-V77 HydrophobicContact CB-CG2 4.26Å; L34-V77 HydrophobicContact CD2-CG2 4.01Å; Y37-V77 HydrophobicContact CD1-CG1 3.98Å; Y37-V77 HydrophobicContact CE1-CG1 4.49Å; F63-V77 HydrophobicContact CE2-CG1 4.06Å; F63-V77 HydrophobicContact CZ-CG1 3.99Å; Y67-V77 PolarHBondContact OH-N 2.99Å; F72-V77 HydrophobicContact CD1-CG2 3.48Å; F72-V77 VanDerWaalsContact CD1-CG2 3.48Å; F72-V77 HydrophobicContact CE1-CG2 3.72Å; V77-R79 PolarHBondContact O-N 3.15Å; V77-V80 PolarHBondContact O-N 3.05Å; V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.39Å; V77-A81 PolarHBondContact O-N 3.21Å; V77-Y246 HydrophobicContact CB-CE2 4.31Å
78K95.3Very high96.4Very high6 Ų622.6 Ų22.63%0.02610%0.097CC..Hα-helixtrans-67.4-40.1-169.3-59.4174173.6174.80111.3L41 S76 A82 E109 E113 Y246 D254 F256L41-K78 HydrophobicContact CD1-CG 4.25Å; S76-K78 PolarHBondContact OG-N 3.48Å; K78-A82 PolarHBondContact O-N 2.96Å; K78-E109 WeakPolarHBondContact CD-OE1 3.39Å; K78-E109 WeakPolarHBondContact CE-OE1 3.26Å; K78-E109 IonicContact NZ-OE1 3.67Å; K78-E109 PolarHBondContact NZ-OE1 2.61Å; K78-E113 IonicContact NZ-OE1 3.91Å; K78-E113 PolarHBondContact NZ-OE1 2.85Å; K78-Y246 HydrophobicContact CD-CE2 4.17Å; K78-Y246 HydrophobicContact CG-CD2 4.45Å; K78-Y246 HydrophobicContact CG-CE2 4.01Å; K78-D254 HydrophobicContact CD-CB 4.32Å; K78-F256 HydrophobicContact CB-CD2 4.34Å; K78-F256 HydrophobicContact CB-CE2 3.81Å
79R95.1Very high96.5Very high40 Ų4021.9 Ų21.915%0.1519%0.093CC..Hα-helixtrans-78.7-36.6179-55.9165.4-173.9-136.8-2.9112.3S76 V77 S83 D133 N253 D254 F256S76-R79 WeakPolarHBondContact OG-CB 3.35Å; S76-R79 WeakPolarHBondContact OG-CD 3.35Å; S76-R79 WeakPolarHBondContact OG-CG 3.45Å; S76-R79 PolarHBondContact OG-N 2.96Å; V77-R79 PolarHBondContact O-N 3.15Å; R79-S83 WeakPolarHBondContact O-CB 3.48Å; R79-S83 PolarHBondContact O-N 3.37Å; R79-S83 PolarHBondContact O-OG 3.23Å; R79-D133 IonicContact CZ-OD2 2.66Å; R79-D133 VanDerWaalsContact NH1-CG 3.29Å; R79-D133 IonicContact NH1-OD1 2.7Å; R79-D133 IonicContact NH1-OD2 2.69Å; R79-D133 PolarHBondContact NH1-OD2 3.15Å; R79-N253 PolarHBondContact NH2-O 3.23Å; R79-D254 IonicContact NE-OD1 2.65Å; R79-F256 HydrophobicContact CG-CE2 4.12Å; R79-F256 HydrophobicContact CG-CZ 4.35Å
80V97.4Very high96.6Very high1 Ų121.2 Ų21.21%0.0069%0.09CC..Hα-helixtrans-66.3-46.7173.9173.60000110.1F63 F66 Y67 F75 S76 V77 A82 S83 C84 T137 L141F63-V80 HydrophobicContact CD2-CG1 3.95Å; F63-V80 HydrophobicContact CE2-CG1 4.37Å; F66-V80 HydrophobicContact CD1-CG1 3.77Å; F66-V80 HydrophobicContact CD1-CG2 4.16Å; F66-V80 HydrophobicContact CE1-CG1 4.2Å; F66-V80 HydrophobicContact CE1-CG2 3.74Å; F66-V80 HydrophobicContact CG-CG1 4.32Å; F66-V80 HydrophobicContact CZ-CG2 4.41Å; Y67-V80 HydrophobicContact CE2-CB 4.01Å; Y67-V80 HydrophobicContact CE2-CG1 3.67Å; Y67-V80 HydrophobicContact CE2-CG2 4.4Å; Y67-V80 WeakPolarHBondContact OH-CG2 3.49Å; F75-V80 HydrophobicContact CB-CG2 4.06Å; F75-V80 HydrophobicContact CD1-CG2 4.5Å; S76-V80 VanDerWaalsContact O-CB 3.31Å; S76-V80 WeakPolarHBondContact O-CB 3.21Å; S76-V80 WeakPolarHBondContact O-CG2 3.18Å; S76-V80 PolarHBondContact O-N 3.16Å; S76-V80 VanDerWaalsContact O-N 3.14Å; V77-V80 PolarHBondContact O-N 3.05Å; V80-A82 VanDerWaalsContact C-N 3.34Å; V80-A82 PolarHBondContact O-N 2.94Å; V80-S83 CarbonylContact O-C 3.57Å; V80-S83 PolarHBondContact O-N 2.98Å; V80-C84 PolarHBondContact O-N 2.79Å; V80-C84 PolarHBondContact O-SG 3.45Å; V80-T137 HydrophobicContact CB-CG2 4.39Å; V80-T137 HydrophobicContact CG2-CG2 3.73Å; V80-L141 HydrophobicContact CG1-CD2 4.36Å
81A98.1Very high96.6Very high0 Ų022.2 Ų22.20%010%0.097CC..Hα-helixtrans-54.6-46.8174.400000112.5L41 I42 F63 V77 S83 C84 V85 F105L41-A81 HydrophobicContact CB-CB 4.37Å; L41-A81 HydrophobicContact CD1-CB 4.5Å; I42-A81 HydrophobicContact CD1-CB 4.38Å; I42-A81 HydrophobicContact CG1-CB 3.94Å; F63-A81 HydrophobicContact CD2-CB 4.31Å; F63-A81 HydrophobicContact CE2-CB 4.25Å; V77-A81 VanDerWaalsContact O-CB 3.23Å; V77-A81 WeakPolarHBondContact O-CB 3.39Å; V77-A81 PolarHBondContact O-N 3.21Å; A81-S83 VanDerWaalsContact C-N 3.3Å; A81-S83 PolarHBondContact O-N 3.46Å; A81-C84 PolarHBondContact O-N 2.74Å; A81-V85 WeakPolarHBondContact O-CG2 3.41Å; A81-V85 PolarHBondContact O-N 3.15Å; A81-F105 HydrophobicContact CB-CE1 3.89Å; A81-F105 HydrophobicContact CB-CZ 4.22Å
82A98.2Very high96.6Very high0 Ų025.1 Ų25.10%011%0.11CC..Hα-helixtrans-59.9-39175.400000113K78 V80 W86 I101 F105 L134 F256K78-A82 PolarHBondContact O-N 2.96Å; V80-A82 VanDerWaalsContact C-N 3.34Å; V80-A82 PolarHBondContact O-N 2.94Å; A82-W86 WeakPolarHBondContact O-CB 3.45Å; A82-W86 PolarHBondContact O-N 3.48Å; A82-W86 VanDerWaalsContact O-N 3.07Å; A82-I101 HydrophobicContact CB-CG2 4.14Å; A82-F105 VanDerWaalsContact CA-CZ 3.44Å; A82-F105 HydrophobicContact CB-CD1 3.8Å; A82-F105 HydrophobicContact CB-CD2 3.85Å; A82-F105 HydrophobicContact CB-CE1 3.88Å; A82-F105 HydrophobicContact CB-CE2 3.93Å; A82-F105 HydrophobicContact CB-CG 3.79Å; A82-F105 HydrophobicContact CB-CZ 3.96Å; A82-L134 HydrophobicContact CB-CD1 3.9Å; A82-F256 HydrophobicContact CB-CZ 4.09Å
83S98Very high96.6Very high0 Ų032.8 Ų32.80%015%0.146CC..Hα-helixtrans-75.3-35180-53.30000112.3R79 V80 A81 W86 L87 T137R79-S83 WeakPolarHBondContact O-CB 3.48Å; R79-S83 PolarHBondContact O-N 3.37Å; R79-S83 PolarHBondContact O-OG 3.23Å; V80-S83 CarbonylContact O-C 3.57Å; V80-S83 PolarHBondContact O-N 2.98Å; A81-S83 VanDerWaalsContact C-N 3.3Å; A81-S83 PolarHBondContact O-N 3.46Å; S83-W86 PolarHBondContact O-N 2.66Å; S83-L87 VanDerWaalsContact O-CB 3.27Å; S83-L87 WeakPolarHBondContact O-CB 3.47Å; S83-L87 PolarHBondContact O-N 3.3Å; S83-T137 VanDerWaalsContact OG-CB 3.28Å; S83-T137 WeakPolarHBondContact OG-CB 3.48Å; S83-T137 WeakPolarHBondContact OG-CG2 3.3Å
84C98.3Very high96.7Very high0 Ų033.1 Ų33.10%015%0.15CC..Hα-helixtrans-62.8-44.2172.4-69.70000111.5A59 L62 F63 V80 A81 L87 A88A59-C84 HydrophobicContact CB-CB 4.14Å; A59-C84 WeakPolarHBondContact O-CB 3.4Å; L62-C84 HydrophobicContact CB-CB 4.48Å; F63-C84 HydrophobicContact CB-CB 4.37Å; V80-C84 PolarHBondContact O-N 2.79Å; V80-C84 PolarHBondContact O-SG 3.45Å; A81-C84 PolarHBondContact O-N 2.74Å; C84-L87 PolarHBondContact O-N 3.23Å; C84-A88 WeakPolarHBondContact O-CB 3.41Å; C84-A88 PolarHBondContact O-N 3.15Å
85V98.5Very high96.8Very high2 Ų229.4 Ų29.41%0.01215%0.145CC..Hα-helixtrans-63.8-41.4175.2174.20000111.5I42 L49 L51 A59 A81 G89 I101 F105I42-V85 HydrophobicContact CB-CG2 4.21Å; I42-V85 HydrophobicContact CG1-CG2 4.04Å; I42-V85 HydrophobicContact CG2-CG2 3.87Å; L49-V85 HydrophobicContact CD1-CG1 3.79Å; L51-V85 HydrophobicContact CD1-CG1 3.85Å; A59-V85 HydrophobicContact CB-CG2 4.06Å; A81-V85 WeakPolarHBondContact O-CG2 3.41Å; A81-V85 PolarHBondContact O-N 3.15Å; V85-G89 PolarHBondContact O-N 2.93Å; V85-I101 HydrophobicContact CG1-CD1 4.21Å; V85-F105 HydrophobicContact CG2-CE2 4.47Å; V85-F105 HydrophobicContact CG2-CZ 4.35Å
86W97.9Very high96.9Very high37 Ų3731.4 Ų31.414%0.1415%0.152CC..Hα-helixtrans-69-36.2178.9-173.547000113.2A82 S83 I101 L134 V135 E138A82-W86 WeakPolarHBondContact O-CB 3.45Å; A82-W86 PolarHBondContact O-N 3.48Å; A82-W86 VanDerWaalsContact O-N 3.07Å; S83-W86 PolarHBondContact O-N 2.66Å; W86-I101 HydrophobicContact CB-CG1 4.12Å; W86-I101 HydrophobicContact CB-CG2 4.49Å; W86-I101 HydrophobicContact CG-CG1 4.2Å; W86-L134 HydrophobicContact CB-CD1 4.46Å; W86-L134 HydrophobicContact CB-CD2 4.43Å; W86-L134 HydrophobicContact CD2-CD2 3.69Å; W86-L134 HydrophobicContact CD2-CG 4.1Å; W86-L134 HydrophobicContact CE3-CD1 4.49Å; W86-L134 HydrophobicContact CE3-CD2 3.74Å; W86-L134 HydrophobicContact CE3-CG 3.65Å; W86-L134 HydrophobicContact CG-CD2 4Å; W86-L134 HydrophobicContact CZ3-CD2 4.31Å; W86-L134 HydrophobicContact CZ3-CG 4.2Å; W86-V135 HydrophobicContact CH2-CG2 3.86Å; W86-V135 HydrophobicContact CZ3-CG2 4.12Å; W86-E138 HydrophobicContact CE3-CB 4.06Å; W86-E138 HydrophobicContact CE3-CG 4.48Å; W86-E138 HydrophobicContact CZ3-CB 3.84Å; W86-E138 HydrophobicContact CZ3-CG 4.19Å; W86-E138 VanDerWaalsContact CZ3-OE2 3.29Å; W86-E138 WeakPolarHBondContact CZ3-OE2 3.39Å
87L97.8Very high97Very high6 Ų637.2 Ų37.23%0.03117%0.173CC..Hα-helixtrans-73.5-50.5175.2177.555.2000111.7L62 S83 C84 G89 K90 L91 L141 L142L62-L87 HydrophobicContact CD1-CD2 4.17Å; L62-L87 HydrophobicContact CD1-CG 4.15Å; S83-L87 VanDerWaalsContact O-CB 3.27Å; S83-L87 WeakPolarHBondContact O-CB 3.47Å; S83-L87 PolarHBondContact O-N 3.3Å; C84-L87 PolarHBondContact O-N 3.23Å; L87-G89 VanDerWaalsContact C-N 3.26Å; L87-G89 PolarHBondContact O-N 3.23Å; L87-K90 WeakPolarHBondContact O-CA 3.38Å; L87-K90 WeakPolarHBondContact O-CB 3Å; L87-K90 PolarHBondContact O-N 3.32Å; L87-L91 HydrophobicContact CD1-CD1 4.4Å; L87-L91 HydrophobicContact CD1-CG 4.37Å; L87-L91 HydrophobicContact CG-CD1 4.13Å; L87-L91 PolarHBondContact O-N 2.6Å; L87-L91 VanDerWaalsContact O-N 3.13Å; L87-L141 HydrophobicContact CD2-CB 4.16Å; L87-L142 HydrophobicContact CD1-CD2 3.93Å; L87-L142 HydrophobicContact CD1-CG 4.47Å; L87-L142 HydrophobicContact CD2-CD2 3.92Å; L87-L142 HydrophobicContact CD2-CG 4.21Å
88A98.1Very high97Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-56.7-40.6176.700000111.7V55 T58 A59 L62 C84 K90 L91 E92V55-A88 HydrophobicContact CG1-CB 3.96Å; V55-A88 WeakPolarHBondContact O-CB 3.33Å; T58-A88 HydrophobicContact CG2-CB 3.83Å; A59-A88 HydrophobicContact CB-CB 3.77Å; L62-A88 HydrophobicContact CD1-CB 4.25Å; C84-A88 WeakPolarHBondContact O-CB 3.41Å; C84-A88 PolarHBondContact O-N 3.15Å; A88-K90 PolarHBondContact O-N 3.44Å; A88-K90 VanDerWaalsContact O-N 3.08Å; A88-L91 PolarHBondContact O-N 3.24Å; A88-E92 WeakPolarHBondContact O-CG 3.46Å; A88-E92 PolarHBondContact O-N 3.05Å
89G97.9Very high97Very high2 Ų241.8 Ų41.82%0.02120%0.196CC..Hα-helixtrans-59.1-22174.900000114V85 L87 S94 P95V85-G89 PolarHBondContact O-N 2.93Å; L87-G89 VanDerWaalsContact C-N 3.26Å; L87-G89 PolarHBondContact O-N 3.23Å; G89-S94 CarbonylContact O-C 3.6Å; G89-S94 WeakPolarHBondContact O-CA 3.24Å; G89-S94 PolarHBondContact O-N 2.82Å; G89-P95 WeakPolarHBondContact O-CA 3.47Å
90K96.9Very high97.1Very high76 Ų7644 Ų4433%0.3321%0.208SC..Hα-helixtrans-90.2-29.1172.2-65.2179.6-67.7173.50113.3L87 A88 P95 E138L87-K90 WeakPolarHBondContact O-CA 3.38Å; L87-K90 WeakPolarHBondContact O-CB 3Å; L87-K90 PolarHBondContact O-N 3.32Å; A88-K90 PolarHBondContact O-N 3.44Å; A88-K90 VanDerWaalsContact O-N 3.08Å; K90-P95 HydrophobicContact CG-CB 4.37Å; K90-E138 WeakPolarHBondContact CE-OE1 3.37Å; K90-E138 IonicContact NZ-OE1 3.11Å; K90-E138 PolarHBondContact NZ-OE1 2.66Å; K90-E138 IonicContact NZ-OE2 2.74Å; K90-E138 PolarHBondContact NZ-OE2 3.17Å
91L96.2Very high97.1Very high71 Ų7144 Ų4437%0.37221%0.208SC..Hα-helixtrans-73.4-37.3177.6-63.5169.8000111.6T58 L62 L87 A88 E93 C149T58-L91 HydrophobicContact CG2-CD1 4.21Å; L62-L91 HydrophobicContact CD1-CD1 3.95Å; L87-L91 HydrophobicContact CD1-CD1 4.4Å; L87-L91 HydrophobicContact CD1-CG 4.37Å; L87-L91 HydrophobicContact CG-CD1 4.13Å; L87-L91 PolarHBondContact O-N 2.6Å; L87-L91 VanDerWaalsContact O-N 3.13Å; A88-L91 PolarHBondContact O-N 3.24Å; L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.23Å; L91-C149 HydrophobicContact CD1-CB 3.84Å; L91-C149 HydrophobicContact CD2-CB 4.13Å
92E96.1Very high97.1Very high63 Ų6344 Ų4429%0.29421%0.208SC..THydrogen-bonded Turntrans-88.321.9178.2-56.4-60.1145.300113.3V55 T58 A88 S94V55-E92 HydrophobicContact CB-CG 4.45Å; V55-E92 HydrophobicContact CG2-CB 3.79Å; V55-E92 HydrophobicContact CG2-CG 3.99Å; T58-E92 WeakPolarHBondContact CB-OE1 3.43Å; T58-E92 PolarHBondContact OG1-OE1 2.65Å; A88-E92 WeakPolarHBondContact O-CG 3.46Å; A88-E92 PolarHBondContact O-N 3.05Å; E92-S94 WeakPolarHBondContact O-CB 3.44Å; E92-S94 PolarHBondContact O-N 3.42Å; E92-S94 PolarHBondContact O-OG 3Å
93E96.3Very high97Very high163 Ų16346.1 Ų46.176%0.76222%0.219SC*.THydrogen-bonded Turntrans44.829.3-177.4-66.3-61.7162.600115.3L91 P95L91-E93 VanDerWaalsContact C-N 3.26Å; L91-E93 PolarHBondContact O-N 3.23Å; E93-P95 VanDerWaalsContact O-CD 3.27Å; E93-P95 WeakPolarHBondContact O-CD 3.23Å
94S96.2Very high96.9Very high28 Ų2847 Ų4720%0.19622%0.224CC..  trans-11842.9-174.2-66.50000113.1L51 G89 E92 R96L51-S94 WeakPolarHBondContact CD2-O 3.16Å; G89-S94 CarbonylContact O-C 3.6Å; G89-S94 WeakPolarHBondContact O-CA 3.24Å; G89-S94 PolarHBondContact O-N 2.82Å; E92-S94 WeakPolarHBondContact O-CB 3.44Å; E92-S94 PolarHBondContact O-N 3.42Å; E92-S94 PolarHBondContact O-OG 3Å; S94-R96 PolarHBondContact O-NH1 3.33Å; S94-R96 VanDerWaalsContact O-NH1 3.12Å
95P96.2Very high96.8Very high76 Ų7647.3 Ų47.349%0.49423%0.226SC..  trans-64.2153.1-16125-35.8000113.7G89 K90 E93G89-P95 WeakPolarHBondContact O-CA 3.47Å; K90-P95 HydrophobicContact CG-CB 4.37Å; E93-P95 VanDerWaalsContact O-CD 3.27Å; E93-P95 WeakPolarHBondContact O-CD 3.23Å
96R96.4Very high96.6Very high80 Ų8047.7 Ų47.730%0.30223%0.227SC..  trans-127.8143.8173.2-64-71.1177.7-88.23.1109.4L49 K50 L51 S94 S98 I101L49-R96 PolarHBondContact O-NE 3.27Å; K50-R96 PolarHBondContact O-NH2 3.14Å; L51-R96 HydrophobicContact CD1-CG 4.44Å; L51-R96 HydrophobicContact CD2-CG 3.73Å; L51-R96 HydrophobicContact CG-CG 4.27Å; S94-R96 PolarHBondContact O-NH1 3.33Å; S94-R96 VanDerWaalsContact O-NH1 3.12Å; R96-S98 PolarHBondContact O-N 3.03Å; R96-I101 HydrophobicContact CB-CD1 3.91Å
97R95.9Very high96.5Very high125 Ų12551.7 Ų51.747%0.47224%0.242SC..  trans-61.5135.1174.8-62.8179174.4-152.5-3108.8K99 H100 I101 D362R97-K99 PolarHBondContact O-N 3.05Å; R97-K99 VanDerWaalsContact O-N 3.13Å; R97-H100 WeakPolarHBondContact O-CB 3.43Å; R97-H100 PolarHBondContact O-N 2.99Å; R97-I101 PolarHBondContact O-N 2.71Å; R97-D362 VanDerWaalsContact CZ-CG 3.44Å; R97-D362 IonicContact CZ-OD1 3.88Å; R97-D362 IonicContact CZ-OD2 2.78Å; R97-D362 IonicContact NH1-OD1 2.75Å; R97-D362 PolarHBondContact NH1-OD1 3.47Å; R97-D362 IonicContact NH1-OD2 3.83Å; R97-D362 PolarHBondContact NH1-OD2 3.33Å; R97-D362 VanDerWaalsContact NH2-CG 3.28Å; R97-D362 IonicContact NH2-OD1 2.94Å; R97-D362 IonicContact NH2-OD2 3.79Å; R97-D362 PolarHBondContact NH2-OD2 2.97Å
98S96.1Very high96.3Very high26 Ų2651.4 Ų51.418%0.18224%0.241CC..Hα-helixtrans-54-34.817949.60000112.7R96 H100 I101 I102R96-S98 PolarHBondContact O-N 3.03Å; S98-H100 PolarHBondContact O-N 2.97Å; S98-I101 WeakPolarHBondContact O-CB 3.41Å; S98-I101 PolarHBondContact O-N 2.84Å; S98-I101 VanDerWaalsContact O-N 3.16Å; S98-I102 VanDerWaalsContact O-CG1 3.32Å; S98-I102 WeakPolarHBondContact O-CG1 3.29Å; S98-I102 PolarHBondContact O-N 3.34Å
99K96.5Very high96Very high82 Ų8251.8 Ų51.836%0.35724%0.242SC..Hα-helixtrans-46.1-46.4169.1-178.2176169.9173.40113R97 I103 V122 Y127R97-K99 PolarHBondContact O-N 3.05Å; R97-K99 VanDerWaalsContact O-N 3.13Å; K99-I103 HydrophobicContact CD-CD1 4.42Å; K99-I103 HydrophobicContact CG-CD1 3.73Å; K99-I103 WeakPolarHBondContact O-CB 3.33Å; K99-I103 VanDerWaalsContact O-CG1 3.25Å; K99-I103 WeakPolarHBondContact O-CG1 3.28Å; K99-I103 PolarHBondContact O-N 2.6Å; K99-I103 VanDerWaalsContact O-N 3.08Å; K99-V122 HydrophobicContact CD-CG1 4.31Å; K99-V122 HydrophobicContact CD-CG2 4.21Å; K99-Y127 VanDerWaalsContact CA-OH 3.26Å; K99-Y127 WeakPolarHBondContact CA-OH 3.41Å; K99-Y127 HydrophobicContact CB-CE2 4.45Å; K99-Y127 VanDerWaalsContact CB-OH 3.27Å; K99-Y127 WeakPolarHBondContact CB-OH 3.26Å; K99-Y127 HydrophobicContact CG-CE2 4.3Å
100H96.8Very high95.7Very high85 Ų8551.8 Ų51.839%0.39424%0.242SC..Hα-helixtrans-73.9-38.4-175.4-59.5-179.6000110.9L49 R97 S98 V104L49-H100 HydrophobicContact CD2-CB 3.93Å; R97-H100 WeakPolarHBondContact O-CB 3.43Å; R97-H100 PolarHBondContact O-N 2.99Å; S98-H100 PolarHBondContact O-N 2.97Å; H100-V104 WeakPolarHBondContact O-CB 3.46Å; H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 3.06Å
101I97.3Very high95.5Very high1 Ų153.2 Ų53.21%0.00525%0.246CC..Hα-helixtrans-57.7-53.7173.4-50.8-57.9000110.1L49 A82 V85 W86 R96 R97 S98 I103 V104 F105 L134L49-I101 HydrophobicContact CD1-CD1 3.49Å; L49-I101 VanDerWaalsContact CD1-CD1 3.49Å; L49-I101 HydrophobicContact CD2-CD1 4.07Å; L49-I101 HydrophobicContact CG-CD1 4.44Å; A82-I101 HydrophobicContact CB-CG2 4.14Å; V85-I101 HydrophobicContact CG1-CD1 4.21Å; W86-I101 HydrophobicContact CB-CG1 4.12Å; W86-I101 HydrophobicContact CB-CG2 4.49Å; W86-I101 HydrophobicContact CG-CG1 4.2Å; R96-I101 HydrophobicContact CB-CD1 3.91Å; R97-I101 PolarHBondContact O-N 2.71Å; S98-I101 WeakPolarHBondContact O-CB 3.41Å; S98-I101 PolarHBondContact O-N 2.84Å; S98-I101 VanDerWaalsContact O-N 3.16Å; I101-I103 PolarHBondContact O-N 2.83Å; I101-V104 PolarHBondContact O-N 3.22Å; I101-F105 HydrophobicContact CG2-CD2 4.03Å; I101-F105 HydrophobicContact CG2-CE2 4.27Å; I101-F105 WeakPolarHBondContact O-CD2 3.42Å; I101-F105 PolarHBondContact O-N 3.35Å; I101-L134 HydrophobicContact CG2-CD1 4.25Å
102I96.9Very high95.2Very high2 Ų253.4 Ų53.41%0.0124%0.241CC..Hα-helixtrans-62.8-43.9-175.5-62162.4000111S98 H106 L120 Y127 L130 K131 L134S98-I102 VanDerWaalsContact O-CG1 3.32Å; S98-I102 WeakPolarHBondContact O-CG1 3.29Å; S98-I102 PolarHBondContact O-N 3.34Å; I102-H106 VanDerWaalsContact O-CB 3.26Å; I102-H106 WeakPolarHBondContact O-CB 3.44Å; I102-H106 PolarHBondContact O-N 2.95Å; I102-L120 HydrophobicContact CG2-CD2 3.67Å; I102-Y127 HydrophobicContact CB-CE2 4.33Å; I102-Y127 HydrophobicContact CD1-CE2 4.02Å; I102-Y127 HydrophobicContact CG2-CD2 4.13Å; I102-Y127 HydrophobicContact CG2-CE2 4.29Å; I102-L130 HydrophobicContact CG2-CB 3.89Å; I102-L130 HydrophobicContact CG2-CD1 3.96Å; I102-K131 HydrophobicContact CD1-CB 4.2Å; I102-L134 HydrophobicContact CD1-CD2 4.37Å; I102-L134 HydrophobicContact CG1-CD2 4.26Å
103I96Very high94.9Very high43 Ų4353 Ų5322%0.22124%0.239CC..Hα-helixtrans-65.6-38.5178-69.9171.5000111.7K99 I101 R107K99-I103 HydrophobicContact CD-CD1 4.42Å; K99-I103 HydrophobicContact CG-CD1 3.73Å; K99-I103 WeakPolarHBondContact O-CB 3.33Å; K99-I103 VanDerWaalsContact O-CG1 3.25Å; K99-I103 WeakPolarHBondContact O-CG1 3.28Å; K99-I103 PolarHBondContact O-N 2.6Å; K99-I103 VanDerWaalsContact O-N 3.08Å; I101-I103 PolarHBondContact O-N 2.83Å; I103-R107 WeakPolarHBondContact O-CB 3.28Å; I103-R107 PolarHBondContact O-N 3.06Å
104V96.6Very high94.5Very high20 Ų2052.4 Ų52.412%0.12124%0.242CC..Hα-helixtrans-67.2-48.6177.1164.60000111.1L48 L49 H100 I101 H106 R107 M108L48-V104 HydrophobicContact CB-CG1 3.8Å; L48-V104 HydrophobicContact CB-CG2 4.28Å; L48-V104 HydrophobicContact CD1-CG1 4.03Å; L49-V104 HydrophobicContact CD2-CB 4.25Å; L49-V104 HydrophobicContact CD2-CG2 3.76Å; L49-V104 HydrophobicContact CG-CB 4.31Å; L49-V104 HydrophobicContact CG-CG1 4.25Å; L49-V104 HydrophobicContact CG-CG2 4.04Å; H100-V104 WeakPolarHBondContact O-CB 3.46Å; H100-V104 WeakPolarHBondContact O-CG2 3.44Å; H100-V104 PolarHBondContact O-N 3.06Å; I101-V104 PolarHBondContact O-N 3.22Å; V104-H106 PolarHBondContact O-N 3.1Å; V104-R107 PolarHBondContact O-N 2.93Å; V104-M108 HydrophobicContact CG1-CG 4.33Å; V104-M108 HydrophobicContact CG1-SD 3.57Å; V104-M108 VanDerWaalsContact CG1-SD 3.57Å; V104-M108 WeakPolarHBondContact O-CB 3.31Å; V104-M108 WeakPolarHBondContact O-CG 3.48Å; V104-M108 PolarHBondContact O-N 3.27Å
105F96.6Very high94.2Very high5 Ų553.7 Ų53.72%0.02225%0.248CC..Hα-helixtrans-62.6-41.5177.9-88.6-100.1000112.4L41 S45 A81 A82 V85 I101 M108 E109 F256L41-F105 HydrophobicContact CB-CE1 4.19Å; L41-F105 HydrophobicContact CD1-CE1 4.47Å; S45-F105 WeakPolarHBondContact OG-CE2 3.26Å; A81-F105 HydrophobicContact CB-CE1 3.89Å; A81-F105 HydrophobicContact CB-CZ 4.22Å; A82-F105 VanDerWaalsContact CA-CZ 3.44Å; A82-F105 HydrophobicContact CB-CD1 3.8Å; A82-F105 HydrophobicContact CB-CD2 3.85Å; A82-F105 HydrophobicContact CB-CE1 3.88Å; A82-F105 HydrophobicContact CB-CE2 3.93Å; A82-F105 HydrophobicContact CB-CG 3.79Å; A82-F105 HydrophobicContact CB-CZ 3.96Å; V85-F105 HydrophobicContact CG2-CE2 4.47Å; V85-F105 HydrophobicContact CG2-CZ 4.35Å; I101-F105 HydrophobicContact CG2-CD2 4.03Å; I101-F105 HydrophobicContact CG2-CE2 4.27Å; I101-F105 WeakPolarHBondContact O-CD2 3.42Å; I101-F105 PolarHBondContact O-N 3.35Å; F105-M108 PolarHBondContact O-N 3.37Å; F105-E109 WeakPolarHBondContact O-CB 3.37Å; F105-E109 PolarHBondContact O-N 2.64Å; F105-F256 HydrophobicContact CB-CD1 4.06Å; F105-F256 HydrophobicContact CB-CE1 3.72Å; F105-F256 HydrophobicContact CB-CZ 3.99Å; F105-F256 HydrophobicContact CD1-CZ 4.45Å; F105-F256 HydrophobicContact CG-CZ 4.47Å
106H94.7Very high93.8Very high10 Ų1054.6 Ų54.65%0.04625%0.254CS..Hα-helixtrans-58.1-49.3172.3174.765.4000112.4I102 V104 M108 E109 C110 E118 L120 F256I102-H106 VanDerWaalsContact O-CB 3.26Å; I102-H106 WeakPolarHBondContact O-CB 3.44Å; I102-H106 PolarHBondContact O-N 2.95Å; V104-H106 PolarHBondContact O-N 3.1Å; H106-M108 VanDerWaalsContact C-N 3.34Å; H106-M108 PolarHBondContact O-N 3.27Å; H106-E109 PolarHBondContact O-N 3.1Å; H106-C110 PolarHBondContact O-N 2.69Å; H106-C110 PolarHBondContact O-SG 3.03Å; H106-E118 PolarHBondContact NE2-O 3.2Å; H106-L120 HydrophobicContact CB-CD2 4.27Å; H106-F256 HydrophobicContact CB-CB 4.11Å; H106-F256 PolarHBondContact CE1-O 2.79Å; H106-F256 PolarHBondContact ND1-O 3.18Å
107R94.3Very high93.4Very high122 Ų12255.2 Ų55.246%0.4626%0.262SS..Hα-helixtrans-60.8-41.2177.6174175.9-178.5-153.4-0112.6I103 V104 E109 R111 I117I103-R107 WeakPolarHBondContact O-CB 3.28Å; I103-R107 PolarHBondContact O-N 3.06Å; V104-R107 PolarHBondContact O-N 2.93Å; R107-E109 VanDerWaalsContact C-N 3.34Å; R107-R111 PolarHBondContact O-N 3.1Å; R107-R111 VanDerWaalsContact O-N 3.15Å; R107-I117 HydrophobicContact CB-CG2 4.35Å; R107-I117 HydrophobicContact CG-CD1 4.4Å; R107-I117 HydrophobicContact CG-CG2 3.85Å
108M94.4Very high92.8Very high0 Ų054.9 Ų54.90%027%0.266CS..Hα-helixtrans-65.1-40.5178.5-72.4168.35000111.5L41 E44 S45 L48 V104 F105 H106 R111 R112L41-M108 HydrophobicContact CB-CE 4.25Å; L41-M108 HydrophobicContact CD2-CE 3.6Å; L41-M108 WeakPolarHBondContact O-CE 3.43Å; E44-M108 HydrophobicContact CB-CE 3.84Å; E44-M108 HydrophobicContact CG-CE 4.04Å; E44-M108 HydrophobicContact CG-SD 4.41Å; E44-M108 WeakPolarHBondContact OE1-CG 3.3Å; S45-M108 VanDerWaalsContact CA-SD 3.55Å; S45-M108 VanDerWaalsContact CB-SD 3.57Å; L48-M108 HydrophobicContact CD1-CG 3.54Å; L48-M108 HydrophobicContact CD1-SD 3.8Å; V104-M108 HydrophobicContact CG1-CG 4.33Å; V104-M108 HydrophobicContact CG1-SD 3.57Å; V104-M108 VanDerWaalsContact CG1-SD 3.57Å; V104-M108 WeakPolarHBondContact O-CB 3.31Å; V104-M108 WeakPolarHBondContact O-CG 3.48Å; V104-M108 PolarHBondContact O-N 3.27Å; F105-M108 PolarHBondContact O-N 3.37Å; H106-M108 VanDerWaalsContact C-N 3.34Å; H106-M108 PolarHBondContact O-N 3.27Å; M108-R111 PolarHBondContact O-N 3.41Å; M108-R112 WeakPolarHBondContact O-CB 3.33Å; M108-R112 WeakPolarHBondContact O-CG 3.42Å; M108-R112 PolarHBondContact O-N 3.38Å
109E91.9Very high92.4Very high7 Ų760.9 Ų60.93%0.03329%0.291CS..Hα-helixtrans-68.1-46176.8-164.7-172.8-136.200111.8K78 F105 H106 R107 R111 R112 E113 S255 F256 T257K78-E109 WeakPolarHBondContact CD-OE1 3.39Å; K78-E109 WeakPolarHBondContact CE-OE1 3.26Å; K78-E109 IonicContact NZ-OE1 3.67Å; K78-E109 PolarHBondContact NZ-OE1 2.61Å; F105-E109 WeakPolarHBondContact O-CB 3.37Å; F105-E109 PolarHBondContact O-N 2.64Å; H106-E109 PolarHBondContact O-N 3.1Å; R107-E109 VanDerWaalsContact C-N 3.34Å; E109-R111 VanDerWaalsContact C-N 3.26Å; E109-R111 PolarHBondContact O-N 3.01Å; E109-R112 CarbonylContact O-C 3.57Å; E109-R112 PolarHBondContact O-N 3.39Å; E109-E113 HydrophobicContact CG-CG 4.06Å; E109-E113 WeakPolarHBondContact O-CB 3.48Å; E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 3.43Å; E109-S255 WeakPolarHBondContact OE1-CA 3.22Å; E109-S255 PolarHBondContact OE2-OG 3.39Å; E109-F256 PolarHBondContact OE1-N 3.48Å; E109-F256 WeakPolarHBondContact OE2-CA 3.31Å; E109-F256 WeakPolarHBondContact OE2-CB 3.32Å; E109-F256 PolarHBondContact OE2-N 3.08Å; E109-T257 HydrophobicContact CB-CG2 4.1Å; E109-T257 HydrophobicContact CG-CG2 3.89Å; E109-T257 VanDerWaalsContact OE2-CG2 3.27Å; E109-T257 WeakPolarHBondContact OE2-CG2 3.06Å; E109-T257 PolarHBondContact OE2-N 2.97Å
110C92Very high92.1Very high2 Ų257.5 Ų57.51%0.01428%0.276CS..Hα-helixtrans-52.4-45.5173.1-69.10000111.5H106 E113 N114 V115 I117 T257H106-C110 PolarHBondContact O-N 2.69Å; H106-C110 PolarHBondContact O-SG 3.03Å; C110-E113 PolarHBondContact O-N 3.11Å; C110-N114 PolarHBondContact O-N 2.95Å; C110-V115 CarbonylContact C-O 3.56Å; C110-V115 PolarHBondContact O-N 3.41Å; C110-I117 HydrophobicContact CB-CG1 4.1Å; C110-T257 HydrophobicContact CB-CG2 4.43Å; C110-T257 VanDerWaalsContact SG-CG2 3.56Å
111R91.6Very high91.8Very high107 Ų10757 Ų5740%0.40428%0.277SS..Hα-helixtrans-64.3-42.6174.5172.5157.948.755.2170.7112.8E44 R107 M108 E109 E113 N114E44-R111 IonicContact OE1-CZ 2.9Å; E44-R111 IonicContact OE1-NH1 3.37Å; E44-R111 PolarHBondContact OE1-NH1 2.99Å; E44-R111 IonicContact OE1-NH2 2.82Å; E44-R111 PolarHBondContact OE1-NH2 3.2Å; E44-R111 IonicContact OE2-NH2 3.64Å; R107-R111 PolarHBondContact O-N 3.1Å; R107-R111 VanDerWaalsContact O-N 3.15Å; M108-R111 PolarHBondContact O-N 3.41Å; E109-R111 VanDerWaalsContact C-N 3.26Å; E109-R111 PolarHBondContact O-N 3.01Å; R111-E113 VanDerWaalsContact C-N 3.31Å; R111-N114 PolarHBondContact O-N 3.22Å
112R91.4Very high91.6Very high75 Ų7558.7 Ų58.728%0.28329%0.287SS..Hα-helixtrans-72.2-23.7-179-74178.7176.6-131.32.6112.9E44 M108 E109E44-R112 IonicContact OE2-CZ 2.73Å; E44-R112 VanDerWaalsContact OE2-CZ 3.31Å; E44-R112 IonicContact OE2-NE 2.89Å; E44-R112 PolarHBondContact OE2-NE 3.44Å; E44-R112 VanDerWaalsContact OE2-NE 3.08Å; E44-R112 IonicContact OE2-NH2 3.92Å; E44-R112 PolarHBondContact OE2-NH2 2.88Å; M108-R112 WeakPolarHBondContact O-CB 3.33Å; M108-R112 WeakPolarHBondContact O-CG 3.42Å; M108-R112 PolarHBondContact O-N 3.38Å; E109-R112 CarbonylContact O-C 3.57Å; E109-R112 PolarHBondContact O-N 3.39Å
113E88.3Confident91.3Very high54 Ų5467.8 Ų67.825%0.25233%0.327SS..THydrogen-bonded Turntrans-96.61.9176-62.5-175.9163.400112.8K78 E109 C110 R111 V115 T257K78-E113 IonicContact NZ-OE1 3.91Å; K78-E113 PolarHBondContact NZ-OE1 2.85Å; E109-E113 HydrophobicContact CG-CG 4.06Å; E109-E113 WeakPolarHBondContact O-CB 3.48Å; E109-E113 WeakPolarHBondContact O-CG 3.44Å; E109-E113 PolarHBondContact O-N 3.43Å; C110-E113 PolarHBondContact O-N 3.11Å; R111-E113 VanDerWaalsContact C-N 3.31Å; E113-V115 HydrophobicContact CB-CG2 3.92Å; E113-V115 PolarHBondContact O-N 3.26Å; E113-T257 WeakPolarHBondContact OE2-CG2 3.34Å; E113-T257 PolarHBondContact OE2-OG1 3.47Å
114N88.3Confident91.2Very high151 Ų15167.2 Ų67.281%0.80733%0.327SS*.THydrogen-bonded Turntrans55.326-174.4-58.5-62.5000114.8C110 R111C110-N114 PolarHBondContact O-N 2.95Å; R111-N114 PolarHBondContact O-N 3.22Å
115V89.4Confident91.1Very high55 Ų5574.1 Ų74.133%0.33336%0.355SS..  trans-86.4144.9176.4-179.80000109.2C110 E113 I117C110-V115 CarbonylContact C-O 3.56Å; C110-V115 PolarHBondContact O-N 3.41Å; E113-V115 HydrophobicContact CB-CG2 3.92Å; E113-V115 PolarHBondContact O-N 3.26Å; V115-I117 PolarHBondContact O-N 3.34Å
116P87.9Confident90.8Very high94 Ų9475.5 Ų75.561%0.6136%0.361SS*.  trans-48.5136.7171.6-30.136.8000112.7E118P116-E118 PolarHBondContact O-N 3.06Å
117I87.7Confident90.9Very high93 Ų9376.1 Ų76.148%0.47736%0.363SS..  trans-80.276.5179.9-53.7178.3000108.7R107 C110 V115R107-I117 HydrophobicContact CB-CG2 4.35Å; R107-I117 HydrophobicContact CG-CD1 4.4Å; R107-I117 HydrophobicContact CG-CG2 3.85Å; C110-I117 HydrophobicContact CB-CG1 4.1Å; V115-I117 PolarHBondContact O-N 3.34Å
118E85.1Confident90.9Very high119 Ų11972.7 Ų72.756%0.55636%0.358SS*.  trans-64.2155171.5-65-175.9164.500111.1H106 P116H106-E118 PolarHBondContact NE2-O 3.2Å; P116-E118 PolarHBondContact O-N 3.06Å
119H87Confident90.9Very high151 Ų15176.1 Ų76.170%0.69938%0.376SS*.  trans-84.3116173.2-171.184000109.9D121H119-D121 PolarHBondContact O-N 2.56Å
120L89.4Confident91.1Very high11 Ų1176.3 Ų76.36%0.05838%0.378CS..  trans-66.5102.1173.1-179.864000110.4I102 H106 V122 K126 Y127 L130I102-L120 HydrophobicContact CG2-CD2 3.67Å; H106-L120 HydrophobicContact CB-CD2 4.27Å; L120-V122 PolarHBondContact O-N 3.01Å; L120-K126 HydrophobicContact CD1-CD 4.08Å; L120-K126 HydrophobicContact CD1-CG 4.11Å; L120-Y127 HydrophobicContact CD2-CD2 4.06Å; L120-Y127 HydrophobicContact CG-CD2 4.41Å; L120-L130 HydrophobicContact CD2-CD1 4.08Å
121D90.8Very high91.3Very high75 Ų7579.2 Ų79.240%0.40139%0.39SS..  trans-58129.3174.4169.239.4000111.3H119 F123 S124 Y127H119-D121 PolarHBondContact O-N 2.56Å; D121-F123 VanDerWaalsContact C-N 3.3Å; D121-F123 WeakPolarHBondContact OD1-CD2 3.5Å; D121-F123 PolarHBondContact OD1-N 2.92Å; D121-F123 PolarHBondContact OD2-N 3.37Å; D121-S124 WeakPolarHBondContact O-CB 3.43Å; D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 PolarHBondContact O-OG 3.26Å; D121-S124 PolarHBondContact OD2-N 2.87Å; D121-Y127 WeakPolarHBondContact O-CB 3.4Å
122V92.7Very high91.5Very high37 Ų3778.9 Ų78.922%0.22439%0.393CS..THydrogen-bonded Turntrans-76.1-19.8-176.4-173.30000111.7K99 L120 Y127K99-V122 HydrophobicContact CD-CG1 4.31Å; K99-V122 HydrophobicContact CD-CG2 4.21Å; L120-V122 PolarHBondContact O-N 3.01Å; V122-Y127 HydrophobicContact CG1-CD1 4.06Å; V122-Y127 HydrophobicContact CG1-CE1 3.71Å; V122-Y127 HydrophobicContact CG1-CE2 4.49Å; V122-Y127 WeakPolarHBondContact O-CD1 3.48Å
123F92.1Very high91.7Very high193 Ų19376.8 Ų76.885%0.84639%0.387SS*.THydrogen-bonded Turntrans-92-9.8175.3-56.6-73.7000112.8D121D121-F123 VanDerWaalsContact C-N 3.3Å; D121-F123 WeakPolarHBondContact OD1-CD2 3.5Å; D121-F123 PolarHBondContact OD1-N 2.92Å; D121-F123 PolarHBondContact OD2-N 3.37Å
124S93.5Very high92.1Very high30 Ų3074.6 Ų74.621%0.2138%0.377CS..SBendtrans-65.1145.4179.274.40000112.2D121 K126 Y127 S128D121-S124 WeakPolarHBondContact O-CB 3.43Å; D121-S124 PolarHBondContact O-N 3.02Å; D121-S124 PolarHBondContact O-OG 3.26Å; D121-S124 PolarHBondContact OD2-N 2.87Å; S124-K126 PolarHBondContact O-N 2.96Å; S124-Y127 PolarHBondContact O-N 2.69Å; S124-Y127 VanDerWaalsContact O-N 3.12Å; S124-Y127 PolarHBondContact OG-N 3.27Å; S124-Y127 VanDerWaalsContact OG-N 3.12Å; S124-S128 PolarHBondContact O-N 3.23Å
125K93.7Very high92.5Very high165 Ų16569.9 Ų69.972%0.71735%0.354SS*.Hα-helixtrans-51.3-43.5171.2-175.5-168.7169-170.80111Y127 S128 D129K125-Y127 PolarHBondContact O-N 3.13Å; K125-S128 CarbonylContact O-C 3.48Å; K125-S128 WeakPolarHBondContact O-CA 3.49Å; K125-S128 WeakPolarHBondContact O-CB 3.44Å; K125-S128 PolarHBondContact O-N 2.66Å; K125-D129 VanDerWaalsContact CE-OD2 3.25Å; K125-D129 WeakPolarHBondContact CE-OD2 3.39Å; K125-D129 PolarHBondContact O-N 2.7Å
126K91.2Very high92.8Very high35 Ų3573.7 Ų73.715%0.15236%0.362CS..Hα-helixtrans-56.1-44.9178.6176173174177.10113.2L120 S124 S128 D129 L130 F256 T257 H258L120-K126 HydrophobicContact CD1-CD 4.08Å; L120-K126 HydrophobicContact CD1-CG 4.11Å; S124-K126 PolarHBondContact O-N 2.96Å; K126-S128 VanDerWaalsContact C-N 3.32Å; K126-D129 PolarHBondContact O-N 3.09Å; K126-L130 HydrophobicContact CG-CD1 4.08Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 VanDerWaalsContact O-CG 3.3Å; K126-L130 WeakPolarHBondContact O-CG 3.35Å; K126-L130 PolarHBondContact O-N 3.03Å; K126-F256 WeakPolarHBondContact CE-O 3.29Å; K126-F256 PolarHBondContact NZ-O 3.42Å; K126-T257 PolarHBondContact NZ-O 3.17Å; K126-H258 WeakPolarHBondContact CD-NE2 3.43Å
127Y95.4Very high93.2Very high22 Ų2269.8 Ų69.89%0.08634%0.336CS..Hα-helixtrans-65.1-37.6175.1172.8-90.1000111.8K99 I102 L120 D121 V122 S124 K125 L130 K131K99-Y127 VanDerWaalsContact CA-OH 3.26Å; K99-Y127 WeakPolarHBondContact CA-OH 3.41Å; K99-Y127 HydrophobicContact CB-CE2 4.45Å; K99-Y127 VanDerWaalsContact CB-OH 3.27Å; K99-Y127 WeakPolarHBondContact CB-OH 3.26Å; K99-Y127 HydrophobicContact CG-CE2 4.3Å; I102-Y127 HydrophobicContact CB-CE2 4.33Å; I102-Y127 HydrophobicContact CD1-CE2 4.02Å; I102-Y127 HydrophobicContact CG2-CD2 4.13Å; I102-Y127 HydrophobicContact CG2-CE2 4.29Å; L120-Y127 HydrophobicContact CD2-CD2 4.06Å; L120-Y127 HydrophobicContact CG-CD2 4.41Å; D121-Y127 WeakPolarHBondContact O-CB 3.4Å; V122-Y127 HydrophobicContact CG1-CD1 4.06Å; V122-Y127 HydrophobicContact CG1-CE1 3.71Å; V122-Y127 HydrophobicContact CG1-CE2 4.49Å; V122-Y127 WeakPolarHBondContact O-CD1 3.48Å; S124-Y127 PolarHBondContact O-N 2.69Å; S124-Y127 VanDerWaalsContact O-N 3.12Å; S124-Y127 PolarHBondContact OG-N 3.27Å; S124-Y127 VanDerWaalsContact OG-N 3.12Å; K125-Y127 PolarHBondContact O-N 3.13Å; Y127-L130 PolarHBondContact O-N 3.08Å; Y127-K131 WeakPolarHBondContact O-CB 3.22Å; Y127-K131 PolarHBondContact O-N 3.1Å
128S95.5Very high93.6Very high51 Ų5166.4 Ų66.436%0.35732%0.319SS..Hα-helixtrans-64.6-44175-161.40000112.2S124 K125 K126 K131 H132S124-S128 PolarHBondContact O-N 3.23Å; K125-S128 CarbonylContact O-C 3.48Å; K125-S128 WeakPolarHBondContact O-CA 3.49Å; K125-S128 WeakPolarHBondContact O-CB 3.44Å; K125-S128 PolarHBondContact O-N 2.66Å; K126-S128 VanDerWaalsContact C-N 3.32Å; S128-K131 WeakPolarHBondContact O-CB 3.32Å; S128-K131 PolarHBondContact O-N 3.19Å; S128-H132 PolarHBondContact O-CD2 3.39Å; S128-H132 PolarHBondContact O-N 3.03Å
129D94.9Very high94.2Very high71 Ų7168.9 Ų68.938%0.3832%0.323SS..Hα-helixtrans-61.8-45.2176.8-66.8-23.2000110.4K125 K126 K131 H132 D133K125-D129 VanDerWaalsContact CE-OD2 3.25Å; K125-D129 WeakPolarHBondContact CE-OD2 3.39Å; K125-D129 PolarHBondContact O-N 2.7Å; K126-D129 PolarHBondContact O-N 3.09Å; D129-K131 PolarHBondContact O-N 3.25Å; D129-H132 PolarHBondContact O-N 3.23Å; D129-H132 VanDerWaalsContact O-N 3.17Å; D129-D133 PolarHBondContact O-N 3.2Å
130L95.1Very high94.6Very high12 Ų1264.8 Ų64.86%0.06330%0.304CS..Hα-helixtrans-63.6-36.9173.6-69.9169.3000113I102 L120 K126 Y127 H132 D133 L134 F256I102-L130 HydrophobicContact CG2-CB 3.89Å; I102-L130 HydrophobicContact CG2-CD1 3.96Å; L120-L130 HydrophobicContact CD2-CD1 4.08Å; K126-L130 HydrophobicContact CG-CD1 4.08Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 VanDerWaalsContact O-CG 3.3Å; K126-L130 WeakPolarHBondContact O-CG 3.35Å; K126-L130 PolarHBondContact O-N 3.03Å; Y127-L130 PolarHBondContact O-N 3.08Å; L130-H132 VanDerWaalsContact C-N 3.34Å; L130-D133 PolarHBondContact O-N 3.12Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 PolarHBondContact O-N 3.26Å; L130-F256 HydrophobicContact CD1-CD1 4.13Å; L130-F256 HydrophobicContact CD2-CD1 3.88Å; L130-F256 HydrophobicContact CD2-CE1 4.16Å; L130-F256 HydrophobicContact CD2-CG 4.22Å
131K96.3Very high95Very high63 Ų6364.3 Ų64.327%0.27430%0.301SS..Hα-helixtrans-61.5-43.2171.7-177.5-168.4172.4-167.70110.4I102 Y127 S128 D129 V135 D369I102-K131 HydrophobicContact CD1-CB 4.2Å; Y127-K131 WeakPolarHBondContact O-CB 3.22Å; Y127-K131 PolarHBondContact O-N 3.1Å; S128-K131 WeakPolarHBondContact O-CB 3.32Å; S128-K131 PolarHBondContact O-N 3.19Å; D129-K131 PolarHBondContact O-N 3.25Å; K131-V135 WeakPolarHBondContact O-CG2 3.17Å; K131-V135 PolarHBondContact O-N 3.22Å; K131-D369 IonicContact NZ-OD2 3.09Å; K131-D369 PolarHBondContact NZ-OD2 3.26Å
132H96.2Very high95.2Very high100 Ų10062.5 Ų62.546%0.46329%0.291SS..Hα-helixtrans-68-39.6177.3-72.5-56.9000112.6S128 D129 L130 V135 R136S128-H132 PolarHBondContact O-CD2 3.39Å; S128-H132 PolarHBondContact O-N 3.03Å; D129-H132 PolarHBondContact O-N 3.23Å; D129-H132 VanDerWaalsContact O-N 3.17Å; L130-H132 VanDerWaalsContact C-N 3.34Å; H132-V135 PolarHBondContact O-N 3.41Å; H132-R136 VanDerWaalsContact O-CB 3.22Å; H132-R136 WeakPolarHBondContact O-CB 3.46Å; H132-R136 PolarHBondContact O-N 3.18Å
133D94.5Very high95.3Very high30 Ų3067.8 Ų67.816%0.1631%0.311CS..Hα-helixtrans-70.4-34.1178.3-82.7-28.8000113.5R79 D129 L130 R136 T137R79-D133 IonicContact CZ-OD2 2.66Å; R79-D133 VanDerWaalsContact NH1-CG 3.29Å; R79-D133 IonicContact NH1-OD1 2.7Å; R79-D133 IonicContact NH1-OD2 2.69Å; R79-D133 PolarHBondContact NH1-OD2 3.15Å; D129-D133 PolarHBondContact O-N 3.2Å; L130-D133 PolarHBondContact O-N 3.12Å; D133-R136 PolarHBondContact O-N 3.24Å; D133-R136 IonicContact OD1-CZ 2.95Å; D133-R136 IonicContact OD1-NH1 3.56Å; D133-R136 PolarHBondContact OD1-NH1 3.24Å; D133-T137 VanDerWaalsContact O-CB 3.3Å; D133-T137 WeakPolarHBondContact O-CB 3.23Å; D133-T137 PolarHBondContact O-N 2.9Å; D133-T137 PolarHBondContact O-OG1 3.41Å
134L97Very high95.4Very high8 Ų860.2 Ų60.24%0.04228%0.279CS..Hα-helixtrans-61.5-47.1171-16978.1000111.2A82 W86 I101 I102 L130 T137 E138A82-L134 HydrophobicContact CB-CD1 3.9Å; W86-L134 HydrophobicContact CB-CD1 4.46Å; W86-L134 HydrophobicContact CB-CD2 4.43Å; W86-L134 HydrophobicContact CD2-CD2 3.69Å; W86-L134 HydrophobicContact CD2-CG 4.1Å; W86-L134 HydrophobicContact CE3-CD1 4.49Å; W86-L134 HydrophobicContact CE3-CD2 3.74Å; W86-L134 HydrophobicContact CE3-CG 3.65Å; W86-L134 HydrophobicContact CG-CD2 4Å; W86-L134 HydrophobicContact CZ3-CD2 4.31Å; W86-L134 HydrophobicContact CZ3-CG 4.2Å; I101-L134 HydrophobicContact CG2-CD1 4.25Å; I102-L134 HydrophobicContact CD1-CD2 4.37Å; I102-L134 HydrophobicContact CG1-CD2 4.26Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 PolarHBondContact O-N 3.26Å; L134-T137 PolarHBondContact O-N 3.44Å; L134-E138 WeakPolarHBondContact O-CB 3.16Å; L134-E138 PolarHBondContact O-N 2.71Å
135V96.8Very high95.3Very high52 Ų5259.2 Ų59.232%0.31527%0.271SS..Hα-helixtrans-66.4-38.3177.2174.80000112W86 K131 H132 R139W86-V135 HydrophobicContact CH2-CG2 3.86Å; W86-V135 HydrophobicContact CZ3-CG2 4.12Å; K131-V135 WeakPolarHBondContact O-CG2 3.17Å; K131-V135 PolarHBondContact O-N 3.22Å; H132-V135 PolarHBondContact O-N 3.41Å; V135-R139 PolarHBondContact O-N 3.25Å
136R96.4Very high95.2Very high135 Ų13553.7 Ų53.751%0.50926%0.261SS..Hα-helixtrans-64.2-46.5175.9175.5-178-77.7118.1-3.1111.1H132 D133 R139 H140H132-R136 VanDerWaalsContact O-CB 3.22Å; H132-R136 WeakPolarHBondContact O-CB 3.46Å; H132-R136 PolarHBondContact O-N 3.18Å; D133-R136 PolarHBondContact O-N 3.24Å; D133-R136 IonicContact OD1-CZ 2.95Å; D133-R136 IonicContact OD1-NH1 3.56Å; D133-R136 PolarHBondContact OD1-NH1 3.24Å; R136-R139 PolarHBondContact O-N 3.45Å; R136-H140 PolarHBondContact O-N 3.48Å; R136-H140 PolarHBondContact O-ND1 3.07Å
137T96.3Very high95.2Very high12 Ų1259.2 Ų59.27%0.07429%0.285CS..Hα-helixtrans-72.7-37.8-176.9-59.50000111.8V80 S83 D133 L134 R139 H140 L141V80-T137 HydrophobicContact CB-CG2 4.39Å; V80-T137 HydrophobicContact CG2-CG2 3.73Å; S83-T137 VanDerWaalsContact OG-CB 3.28Å; S83-T137 WeakPolarHBondContact OG-CB 3.48Å; S83-T137 WeakPolarHBondContact OG-CG2 3.3Å; D133-T137 VanDerWaalsContact O-CB 3.3Å; D133-T137 WeakPolarHBondContact O-CB 3.23Å; D133-T137 PolarHBondContact O-N 2.9Å; D133-T137 PolarHBondContact O-OG1 3.41Å; L134-T137 PolarHBondContact O-N 3.44Å; T137-R139 VanDerWaalsContact C-N 3.31Å; T137-R139 PolarHBondContact O-N 3.5Å; T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 2.8Å; T137-H140 VanDerWaalsContact O-N 3.09Å; T137-L141 PolarHBondContact O-N 3.48Å
138E96.7Very high94.9Very high22 Ų2263 Ų6310%0.10331%0.305CS..Hα-helixtrans-54.8-44.8168.2168.8165.4-86.400112.4W86 K90 L134 H140 L141 L142W86-E138 HydrophobicContact CE3-CB 4.06Å; W86-E138 HydrophobicContact CE3-CG 4.48Å; W86-E138 HydrophobicContact CZ3-CB 3.84Å; W86-E138 HydrophobicContact CZ3-CG 4.19Å; W86-E138 VanDerWaalsContact CZ3-OE2 3.29Å; W86-E138 WeakPolarHBondContact CZ3-OE2 3.39Å; K90-E138 WeakPolarHBondContact CE-OE1 3.37Å; K90-E138 IonicContact NZ-OE1 3.11Å; K90-E138 PolarHBondContact NZ-OE1 2.66Å; K90-E138 IonicContact NZ-OE2 2.74Å; K90-E138 PolarHBondContact NZ-OE2 3.17Å; L134-E138 WeakPolarHBondContact O-CB 3.16Å; L134-E138 PolarHBondContact O-N 2.71Å; E138-H140 PolarHBondContact O-N 2.99Å; E138-L141 WeakPolarHBondContact O-CB 3.33Å; E138-L141 PolarHBondContact O-N 2.9Å; E138-L142 HydrophobicContact CG-CD1 3.99Å; E138-L142 HydrophobicContact CG-CG 4.42Å; E138-L142 PolarHBondContact O-N 3.01Å
139R96.9Very high94.6Very high171 Ų17161.1 Ų61.165%0.64529%0.292SS*.Hα-helixtrans-62.6-31.5178.3-169-178.8-62.4170.5-0.8112.4V135 R136 T137 K143V135-R139 PolarHBondContact O-N 3.25Å; R136-R139 PolarHBondContact O-N 3.45Å; T137-R139 VanDerWaalsContact C-N 3.31Å; T137-R139 PolarHBondContact O-N 3.5Å; R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 PolarHBondContact O-N 3.22Å
140H96.1Very high94.4Very high66 Ų6661.6 Ų61.631%0.30629%0.292SS..Hα-helixtrans-71.8-47.2172.5-7186.4000111.2F66 F75 R136 T137 E138 L142 K143 E144F66-H140 HydrophobicContact CE2-CB 4.34Å; F75-H140 HydrophobicContact CE1-CB 4.06Å; F75-H140 AromaticContact CE1-CD2 3.99Å; F75-H140 AromaticContact CE1-CG 3.89Å; F75-H140 HydrophobicContact CZ-CB 4.48Å; F75-H140 AromaticContact CZ-CD2 3.82Å; R136-H140 PolarHBondContact O-N 3.48Å; R136-H140 PolarHBondContact O-ND1 3.07Å; T137-H140 WeakPolarHBondContact O-CB 3.26Å; T137-H140 PolarHBondContact O-N 2.8Å; T137-H140 VanDerWaalsContact O-N 3.09Å; E138-H140 PolarHBondContact O-N 2.99Å; H140-L142 PolarHBondContact O-N 2.88Å; H140-K143 PolarHBondContact O-N 3.17Å; H140-K143 VanDerWaalsContact O-N 3.15Å; H140-E144 VanDerWaalsContact O-CG 3.3Å; H140-E144 WeakPolarHBondContact O-CG 3.22Å; H140-E144 PolarHBondContact O-N 3.48Å
141L96.4Very high94.3Very high0 Ų061.6 Ų61.60%029%0.293CS..Hα-helixtrans-50.6-54.3174.8-79.6159.3000111.6F66 V80 L87 T137 E138 K143 E144 M145F66-L141 HydrophobicContact CB-CD2 3.66Å; F66-L141 HydrophobicContact CD2-CD2 3.55Å; F66-L141 HydrophobicContact CD2-CG 4.09Å; F66-L141 HydrophobicContact CE2-CD2 4.34Å; F66-L141 HydrophobicContact CE2-CG 4.43Å; F66-L141 HydrophobicContact CG-CD2 3.66Å; V80-L141 HydrophobicContact CG1-CD2 4.36Å; L87-L141 HydrophobicContact CD2-CB 4.16Å; T137-L141 PolarHBondContact O-N 3.48Å; E138-L141 WeakPolarHBondContact O-CB 3.33Å; E138-L141 PolarHBondContact O-N 2.9Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.27Å; L141-E144 PolarHBondContact O-N 2.97Å; L141-M145 WeakPolarHBondContact O-CB 3.47Å; L141-M145 WeakPolarHBondContact O-CG 3.15Å; L141-M145 PolarHBondContact O-N 3.31Å
142L96.3Very high94.1Very high37 Ų3760.8 Ų60.819%0.19429%0.29CS..Hα-helixtrans-58.9-41.3179-70.3172000113L87 E138 H140 G146 F147L87-L142 HydrophobicContact CD1-CD2 3.93Å; L87-L142 HydrophobicContact CD1-CG 4.47Å; L87-L142 HydrophobicContact CD2-CD2 3.92Å; L87-L142 HydrophobicContact CD2-CG 4.21Å; E138-L142 HydrophobicContact CG-CD1 3.99Å; E138-L142 HydrophobicContact CG-CG 4.42Å; E138-L142 PolarHBondContact O-N 3.01Å; H140-L142 PolarHBondContact O-N 2.88Å; L142-G146 PolarHBondContact O-N 3.02Å; L142-G146 VanDerWaalsContact O-N 3.17Å; L142-F147 HydrophobicContact CB-CD1 4.11Å; L142-F147 HydrophobicContact CB-CE1 3.83Å; L142-F147 HydrophobicContact CB-CZ 4.29Å; L142-F147 HydrophobicContact CD1-CE1 4.2Å; L142-F147 HydrophobicContact CD2-CD1 4.15Å; L142-F147 HydrophobicContact CD2-CE1 4.46Å; L142-F147 HydrophobicContact CG-CE1 4.4Å; L142-F147 PolarHBondContact O-N 2.92Å
143K95.3Very high94Very high148 Ų14857.1 Ų57.164%0.64327%0.273SS*.Hα-helixtrans-65.5-45.9178.1-177.4-175.9174.8-172.30112R139 H140 L141 G146R139-K143 WeakPolarHBondContact O-CB 3.4Å; R139-K143 PolarHBondContact O-N 3.22Å; H140-K143 PolarHBondContact O-N 3.17Å; H140-K143 VanDerWaalsContact O-N 3.15Å; L141-K143 VanDerWaalsContact C-N 3.33Å; L141-K143 PolarHBondContact O-N 3.27Å; K143-G146 PolarHBondContact O-N 3.09Å; K143-G146 VanDerWaalsContact O-N 3.11Å
144E93.8Very high94.1Very high35 Ų3555.9 Ų55.916%0.16427%0.267CS..Hα-helixtrans-70.8-32.2-178.4-63.4-57.2147.900112.3F66 K69 K70 H140 L141 G146F66-E144 HydrophobicContact CD2-CB 4.14Å; F66-E144 HydrophobicContact CD2-CG 4.21Å; F66-E144 HydrophobicContact CE2-CB 4.25Å; F66-E144 HydrophobicContact CE2-CG 3.82Å; K69-E144 HydrophobicContact CD-CB 4.48Å; K69-E144 WeakPolarHBondContact CD-O 3.46Å; K69-E144 PolarHBondContact NZ-O 2.95Å; K70-E144 WeakPolarHBondContact CE-OE1 3.42Å; K70-E144 HydrophobicContact CG-CG 4.14Å; K70-E144 IonicContact NZ-OE1 2.74Å; K70-E144 PolarHBondContact NZ-OE1 3.37Å; K70-E144 IonicContact NZ-OE2 3.71Å; K70-E144 PolarHBondContact NZ-OE2 2.93Å; H140-E144 VanDerWaalsContact O-CG 3.3Å; H140-E144 WeakPolarHBondContact O-CG 3.22Å; H140-E144 PolarHBondContact O-N 3.48Å; L141-E144 PolarHBondContact O-N 2.97Å; E144-G146 PolarHBondContact O-N 3.22Å
145M91.1Very high94.1Very high8 Ų856.4 Ų56.44%0.03927%0.269CS..THydrogen-bonded Turntrans-73.8-10.3170.7-64.1-69.2-63.600113L62 R65 L141 F147 I148L62-M145 HydrophobicContact CD2-CE 3.62Å; L62-M145 HydrophobicContact CD2-CG 4.41Å; L62-M145 HydrophobicContact CD2-SD 4.21Å; R65-M145 HydrophobicContact CB-CE 4.44Å; R65-M145 HydrophobicContact CB-SD 3.72Å; L141-M145 WeakPolarHBondContact O-CB 3.47Å; L141-M145 WeakPolarHBondContact O-CG 3.15Å; L141-M145 PolarHBondContact O-N 3.31Å; M145-F147 PolarHBondContact O-N 3.49Å; M145-I148 VanDerWaalsContact CE-O 3.23Å; M145-I148 WeakPolarHBondContact CE-O 3.42Å; M145-I148 PolarHBondContact O-N 3.22Å
146G91Very high94Very high49 Ų4960.4 Ų60.451%0.50528%0.282SS..THydrogen-bonded Turntrans61.226.9-173.400000113.2L142 K143 E144 I148L142-G146 PolarHBondContact O-N 3.02Å; L142-G146 VanDerWaalsContact O-N 3.17Å; K143-G146 PolarHBondContact O-N 3.09Å; K143-G146 VanDerWaalsContact O-N 3.11Å; E144-G146 PolarHBondContact O-N 3.22Å; G146-I148 PolarHBondContact O-N 2.85Å; G146-I148 VanDerWaalsContact O-N 3.12Å
147F90.6Very high94Very high152 Ų15255.5 Ų55.567%0.66726%0.264SS*.THydrogen-bonded Turntrans60.50.7-167.3-58.5-93.2000116.2L142 M145 C149L142-F147 HydrophobicContact CB-CD1 4.11Å; L142-F147 HydrophobicContact CB-CE1 3.83Å; L142-F147 HydrophobicContact CB-CZ 4.29Å; L142-F147 HydrophobicContact CD1-CE1 4.2Å; L142-F147 HydrophobicContact CD2-CD1 4.15Å; L142-F147 HydrophobicContact CD2-CE1 4.46Å; L142-F147 HydrophobicContact CG-CE1 4.4Å; L142-F147 PolarHBondContact O-N 2.92Å; M145-F147 PolarHBondContact O-N 3.49Å; F147-C149 PolarHBondContact O-N 3.42Å
148I89.7Confident94Very high100 Ų10055 Ų5551%0.51326%0.261SS..  trans-7776.3172.6-52178000108.6M145 G146M145-I148 VanDerWaalsContact CE-O 3.23Å; M145-I148 WeakPolarHBondContact CE-O 3.42Å; M145-I148 PolarHBondContact O-N 3.22Å; G146-I148 PolarHBondContact O-N 2.85Å; G146-I148 VanDerWaalsContact O-N 3.12Å
149C89.2Confident93.9Very high12 Ų1257 Ų578%0.08128%0.278CS..  trans-101.512.8-173.2-55.30000113.7L62 L91 F147L62-C149 HydrophobicContact CD2-CB 4.41Å; L91-C149 HydrophobicContact CD1-CB 3.84Å; L91-C149 HydrophobicContact CD2-CB 4.13Å; F147-C149 PolarHBondContact O-N 3.42Å
150H90.6Very high93.8Very high82 Ų8253.7 Ų53.738%0.3827%0.273SS..  trans-66.3146.1169.2-174.263.2000110.3A5 R65A5-H150 HydrophobicContact CB-CB 4.29Å; A5-H150 PolarHBondContact O-CD2 2.97Å; A5-H150 PolarHBondContact O-NE2 3.36Å; R65-H150 PolarHBondContact NH1-O 3.16Å; R65-H150 VanDerWaalsContact NH1-O 3.14Å
151V92.2Very high93.8Very high12 Ų1251 Ų517%0.07326%0.26CS..  trans-140.2131.91751800000107.8D7 T58 V61 H153D7-V151 WeakPolarHBondContact OD2-CA 3.28Å; T58-V151 HydrophobicContact CG2-CB 4.49Å; T58-V151 HydrophobicContact CG2-CG2 4.17Å; V61-V151 HydrophobicContact CB-CG1 3.7Å; V61-V151 HydrophobicContact CB-CG2 4.13Å; V61-V151 HydrophobicContact CG1-CG1 3.7Å; V61-V151 HydrophobicContact CG1-CG2 3.96Å; V61-V151 HydrophobicContact CG2-CG1 3.72Å; V151-H153 WeakPolarHBondContact CG1-CE1 3.22Å
152E93Very high93.8Very high45 Ų4551 Ų5121%0.2126%0.26CS..  trans-105.5135.6167.6-178.1157.365.100110.6D7 K156 F157 S192D7-E152 PolarHBondContact OD2-N 2.92Å; E152-K156 HydrophobicContact CG-CD 4.31Å; E152-K156 VanDerWaalsContact OE2-CD 3.28Å; E152-K156 WeakPolarHBondContact OE2-CD 3.48Å; E152-K156 WeakPolarHBondContact OE2-CE 3.45Å; E152-K156 IonicContact OE2-NZ 2.79Å; E152-K156 PolarHBondContact OE2-NZ 3.37Å; E152-F157 HydrophobicContact CG-CE2 3.96Å; E152-F157 HydrophobicContact CG-CZ 4.17Å; E152-S192 PolarHBondContact O-OG 2.93Å
153H94.7Very high93.8Very high24 Ų2452.4 Ų52.411%0.11128%0.277CS..  trans-108.8143.5-173.6-64.9-61.9000112.5A57 T58 V151 H155 K156A57-H153 VanDerWaalsContact CB-CE1 3.41Å; A57-H153 WeakPolarHBondContact CB-CE1 3.4Å; T58-H153 PolarHBondContact N-CE1 3.04Å; T58-H153 VanDerWaalsContact N-CE1 3.27Å; T58-H153 PolarHBondContact N-NE2 3.3Å; T58-H153 PolarHBondContact OG1-NE2 2.91Å; V151-H153 WeakPolarHBondContact CG1-CE1 3.22Å; H153-H155 HydrophobicContact CB-CB 4.4Å; H153-H155 PolarHBondContact O-N 2.66Å; H153-H155 VanDerWaalsContact O-N 3.15Å; H153-K156 WeakPolarHBondContact O-CB 3.46Å; H153-K156 PolarHBondContact O-N 3.49Å; H153-K156 VanDerWaalsContact O-N 3.1Å
154P96.4Very high93.8Very high4 Ų449.2 Ų49.23%0.02627%0.27CS..THydrogen-bonded Turntrans-57.8-31.8177.623.2-33.4000112.3K156 F157 I158 A178 S192 V195 A196P154-K156 PolarHBondContact O-N 3.13Å; P154-F157 PolarHBondContact O-N 2.95Å; P154-I158 PolarHBondContact O-N 3.27Å; P154-A178 HydrophobicContact CG-CB 4.25Å; P154-S192 WeakPolarHBondContact CA-O 3.44Å; P154-V195 HydrophobicContact CB-CB 4.14Å; P154-V195 HydrophobicContact CB-CG1 3.98Å; P154-V195 HydrophobicContact CG-CB 4.49Å; P154-V195 HydrophobicContact CG-CG1 3.96Å; P154-A196 HydrophobicContact CB-CB 3.95Å
155H96.8Very high93.9Very high18 Ų1848.7 Ų48.78%0.08327%0.268CS..Hα-helixtrans-49.8-28.9175.3-55.174.9000114.8H153 F157 W175 N179H153-H155 HydrophobicContact CB-CB 4.4Å; H153-H155 PolarHBondContact O-N 2.66Å; H153-H155 VanDerWaalsContact O-N 3.15Å; H155-F157 VanDerWaalsContact C-N 3.26Å; H155-F157 PolarHBondContact O-N 2.96Å; H155-W175 HydrophobicContact CB-CE3 4.25Å; H155-W175 HydrophobicContact CB-CH2 3.87Å; H155-W175 HydrophobicContact CB-CZ2 4.45Å; H155-W175 HydrophobicContact CB-CZ3 3.76Å; H155-W175 AromaticContact CD2-CD2 3.8Å; H155-W175 AromaticContact CD2-CE2 3.7Å; H155-W175 AromaticContact CD2-CZ2 3.87Å; H155-N179 PolarHBondContact NE2-OD1 2.86Å
156K94.6Very high94Very high137 Ų13756.7 Ų56.760%0.59631%0.305SS*.Hα-helixtrans-63.3-31.8177-180-175.3166.6-171.80112.5E152 H153 P154E152-K156 HydrophobicContact CG-CD 4.31Å; E152-K156 VanDerWaalsContact OE2-CD 3.28Å; E152-K156 WeakPolarHBondContact OE2-CD 3.48Å; E152-K156 WeakPolarHBondContact OE2-CE 3.45Å; E152-K156 IonicContact OE2-NZ 2.79Å; E152-K156 PolarHBondContact OE2-NZ 3.37Å; H153-K156 WeakPolarHBondContact O-CB 3.46Å; H153-K156 PolarHBondContact O-N 3.49Å; H153-K156 VanDerWaalsContact O-N 3.1Å; P154-K156 PolarHBondContact O-N 3.13Å
157F96.1Very high94.3Very high32 Ų3254.4 Ų54.414%0.1428%0.282CS..Hα-helixtrans-97.6-31.5-169.9-57.1-80.1000113.5E152 P154 H155 S159 N160 Y161 E193 A196E152-F157 HydrophobicContact CG-CE2 3.96Å; E152-F157 HydrophobicContact CG-CZ 4.17Å; P154-F157 PolarHBondContact O-N 2.95Å; H155-F157 VanDerWaalsContact C-N 3.26Å; H155-F157 PolarHBondContact O-N 2.96Å; F157-S159 PolarHBondContact O-N 2.98Å; F157-N160 WeakPolarHBondContact O-CB 3.43Å; F157-N160 PolarHBondContact O-N 3.36Å; F157-Y161 HydrophobicContact CB-CD1 4.42Å; F157-Y161 HydrophobicContact CB-CD2 4.1Å; F157-Y161 HydrophobicContact CB-CE1 3.98Å; F157-Y161 HydrophobicContact CB-CE2 3.64Å; F157-Y161 HydrophobicContact CB-CG 4.47Å; F157-Y161 HydrophobicContact CD1-CE1 4.34Å; F157-Y161 HydrophobicContact CG-CE2 4.44Å; F157-Y161 PolarHBondContact O-N 3.25Å; F157-E193 HydrophobicContact CD1-CG 4.45Å; F157-E193 HydrophobicContact CE1-CG 3.94Å; F157-E193 HydrophobicContact CE2-CG 4.25Å; F157-E193 HydrophobicContact CZ-CG 3.83Å; F157-A196 HydrophobicContact CB-CB 3.82Å; F157-A196 HydrophobicContact CD2-CB 4.41Å
158I96.8Very high94.5Very high0 Ų051 Ų510%028%0.275CS..Hα-helixtrans-47.6-52.8-171.4-64.1171.7000112.7P154 N160 Y161 L162 A174 A178 A196 V199 V200P154-I158 PolarHBondContact O-N 3.27Å; I158-N160 VanDerWaalsContact C-N 3.28Å; I158-N160 PolarHBondContact O-N 2.58Å; I158-Y161 PolarHBondContact O-N 2.83Å; I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 HydrophobicContact CG2-CG 4.36Å; I158-L162 WeakPolarHBondContact O-CB 3.37Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å; I158-A174 HydrophobicContact CG2-CB 3.69Å; I158-A178 HydrophobicContact CD1-CB 3.64Å; I158-A196 HydrophobicContact CG1-CB 4.39Å; I158-V199 HydrophobicContact CD1-CG2 4.17Å; I158-V199 HydrophobicContact CG1-CG2 4.36Å; I158-V200 HydrophobicContact CG2-CG2 4.47Å
159S94Very high94.7Very high66 Ų6651.8 Ų51.846%0.46228%0.276SS..Hα-helixtrans-66.2-29.4-176.8-50.50000113.4F157 A163F157-S159 PolarHBondContact O-N 2.98Å; S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.35Å
160N95.2Very high95.1Very high100 Ų10051.2 Ų51.254%0.53527%0.273SS..Hα-helixtrans-75.7-46.3176-173.172.8000110.6F157 I158 A163 T164F157-N160 WeakPolarHBondContact O-CB 3.43Å; F157-N160 PolarHBondContact O-N 3.36Å; I158-N160 VanDerWaalsContact C-N 3.28Å; I158-N160 PolarHBondContact O-N 2.58Å; N160-A163 PolarHBondContact O-N 3.48Å; N160-T164 PolarHBondContact O-N 2.9Å; N160-T164 PolarHBondContact O-OG1 2.66Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å
161Y96.7Very high95.4Very high10 Ų1049.5 Ų49.54%0.03927%0.268CS..Hα-helixtrans-60-48.8177.4-63.2-10.3000111.2F157 I158 A163 T164 L165 E193 A196 C197 F221F157-Y161 HydrophobicContact CB-CD1 4.42Å; F157-Y161 HydrophobicContact CB-CD2 4.1Å; F157-Y161 HydrophobicContact CB-CE1 3.98Å; F157-Y161 HydrophobicContact CB-CE2 3.64Å; F157-Y161 HydrophobicContact CB-CG 4.47Å; F157-Y161 HydrophobicContact CD1-CE1 4.34Å; F157-Y161 HydrophobicContact CG-CE2 4.44Å; F157-Y161 PolarHBondContact O-N 3.25Å; I158-Y161 PolarHBondContact O-N 2.83Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 3.47Å; Y161-T164 PolarHBondContact O-N 3.43Å; Y161-T164 VanDerWaalsContact O-N 3.16Å; Y161-L165 WeakPolarHBondContact O-CB 3.47Å; Y161-L165 WeakPolarHBondContact O-CG 2.98Å; Y161-L165 PolarHBondContact O-N 3.36Å; Y161-E193 WeakPolarHBondContact OH-CA 3.38Å; Y161-E193 WeakPolarHBondContact OH-CB 3.49Å; Y161-A196 HydrophobicContact CD2-CB 4.02Å; Y161-A196 HydrophobicContact CE2-CB 3.62Å; Y161-C197 VanDerWaalsContact CE2-SG 3.54Å; Y161-F221 HydrophobicContact CD1-CB 4.39Å; Y161-F221 AromaticContact CD1-CD1 3.44Å; Y161-F221 HydrophobicContact CD1-CD1 3.44Å; Y161-F221 VanDerWaalsContact CD1-CD1 3.44Å; Y161-F221 AromaticContact CD1-CD2 3.84Å; Y161-F221 HydrophobicContact CD1-CD2 3.84Å; Y161-F221 AromaticContact CD1-CE1 3.51Å; Y161-F221 HydrophobicContact CD1-CE1 3.51Å; Y161-F221 AromaticContact CD1-CE2 3.88Å; Y161-F221 HydrophobicContact CD1-CE2 3.88Å; Y161-F221 AromaticContact CD1-CG 3.62Å; Y161-F221 HydrophobicContact CD1-CG 3.62Å; Y161-F221 AromaticContact CD1-CZ 3.73Å; Y161-F221 HydrophobicContact CD1-CZ 3.73Å; Y161-F221 HydrophobicContact CD2-CD2 4.15Å; Y161-F221 HydrophobicContact CD2-CE2 4.5Å; Y161-F221 HydrophobicContact CD2-CG 4.4Å; Y161-F221 HydrophobicContact CE1-CB 3.8Å; Y161-F221 AromaticContact CE1-CD1 3.37Å; Y161-F221 HydrophobicContact CE1-CD1 3.37Å; Y161-F221 HydrophobicContact CE1-CD2 4.12Å; Y161-F221 AromaticContact CE1-CE1 3.93Å; Y161-F221 HydrophobicContact CE1-CE1 3.93Å; Y161-F221 AromaticContact CE1-CG 3.49Å; Y161-F221 HydrophobicContact CE1-CG 3.49Å; Y161-F221 VanDerWaalsContact CE1-CG 3.49Å; Y161-F221 HydrophobicContact CE2-CB 4.18Å; Y161-F221 HydrophobicContact CE2-CD2 4.4Å; Y161-F221 HydrophobicContact CE2-CG 4.28Å; Y161-F221 HydrophobicContact CG-CD1 4.31Å; Y161-F221 AromaticContact CG-CD2 3.86Å; Y161-F221 HydrophobicContact CG-CD2 3.86Å; Y161-F221 HydrophobicContact CG-CE1 4.3Å; Y161-F221 AromaticContact CG-CE2 3.84Å; Y161-F221 HydrophobicContact CG-CE2 3.84Å; Y161-F221 HydrophobicContact CG-CG 4.1Å; Y161-F221 HydrophobicContact CG-CZ 4.08Å; Y161-F221 AromaticContact CZ-CG 3.84Å
162L96.8Very high95.6Very high1 Ų154.8 Ų54.81%0.00529%0.292CS..Hα-helixtrans-66.5-29.5179.3-69178.1000113.7I158 E166 A167 L170 T171 A174 V200I158-L162 HydrophobicContact CG2-CD1 3.74Å; I158-L162 HydrophobicContact CG2-CG 4.36Å; I158-L162 WeakPolarHBondContact O-CB 3.37Å; I158-L162 WeakPolarHBondContact O-CG 3.38Å; I158-L162 PolarHBondContact O-N 3.47Å; L162-E166 PolarHBondContact O-N 2.96Å; L162-A167 HydrophobicContact CD2-CB 4.44Å; L162-A167 PolarHBondContact O-N 2.92Å; L162-L170 HydrophobicContact CD1-CB 4.03Å; L162-L170 HydrophobicContact CD2-CB 3.87Å; L162-L170 HydrophobicContact CD2-CD1 4.08Å; L162-T171 VanDerWaalsContact CD1-CA 3.41Å; L162-A174 HydrophobicContact CD1-CB 4.15Å; L162-V200 HydrophobicContact CD2-CB 4.37Å; L162-V200 HydrophobicContact CD2-CG1 3.62Å; L162-V200 HydrophobicContact CD2-CG2 3.91Å; L162-V200 HydrophobicContact CG-CG2 4.01Å
163A95.3Very high95.8Very high65 Ų6554.3 Ų54.354%0.53729%0.29SS..Hα-helixtrans-70.4-39.3171.500000112.1S159 N160 Y161 L165 E166S159-A163 VanDerWaalsContact O-CB 3.27Å; S159-A163 WeakPolarHBondContact O-CB 3.43Å; S159-A163 PolarHBondContact O-N 3.35Å; N160-A163 PolarHBondContact O-N 3.48Å; Y161-A163 VanDerWaalsContact C-N 3.31Å; Y161-A163 PolarHBondContact O-N 3.47Å; A163-L165 VanDerWaalsContact C-N 3.32Å; A163-E166 PolarHBondContact O-N 2.95Å
164T95.1Very high96Very high82 Ų8253.2 Ų53.250%0.50329%0.285SS..Hα-helixtrans-69.9-27.5174.4-59.30000113N160 Y161 E166 F221N160-T164 PolarHBondContact O-N 2.9Å; N160-T164 PolarHBondContact O-OG1 2.66Å; N160-T164 VanDerWaalsContact O-OG1 3.1Å; Y161-T164 PolarHBondContact O-N 3.43Å; Y161-T164 VanDerWaalsContact O-N 3.16Å; T164-E166 VanDerWaalsContact C-N 3.35Å; T164-F221 HydrophobicContact CG2-CE1 4.22Å; T164-F221 HydrophobicContact CG2-CZ 3.86Å
165L95.2Very high96.1Very high24 Ų2457.5 Ų57.513%0.12630%0.3CS..THydrogen-bonded Turntrans-88.52.6176.1-65.4168000113.7Y161 A163 A167 V200 L211 W217 F221Y161-L165 WeakPolarHBondContact O-CB 3.47Å; Y161-L165 WeakPolarHBondContact O-CG 2.98Å; Y161-L165 PolarHBondContact O-N 3.36Å; A163-L165 VanDerWaalsContact C-N 3.32Å; L165-A167 PolarHBondContact O-N 3.43Å; L165-A167 VanDerWaalsContact O-N 3.11Å; L165-V200 HydrophobicContact CD1-CG1 3.72Å; L165-L211 HydrophobicContact CB-CD2 4.26Å; L165-L211 HydrophobicContact CD1-CD1 4.33Å; L165-L211 HydrophobicContact CD1-CD2 4.41Å; L165-W217 HydrophobicContact CD1-CD2 4.13Å; L165-W217 HydrophobicContact CD1-CE3 3.78Å; L165-W217 HydrophobicContact CD1-CH2 4.29Å; L165-W217 HydrophobicContact CD1-CZ3 3.87Å; L165-W217 HydrophobicContact CD2-CB 3.65Å; L165-W217 HydrophobicContact CD2-CD2 3.83Å; L165-W217 HydrophobicContact CD2-CE3 3.87Å; L165-W217 HydrophobicContact CD2-CG 3.77Å; L165-W217 HydrophobicContact CG-CE3 4.37Å; L165-F221 HydrophobicContact CD1-CE2 4.41Å; L165-F221 HydrophobicContact CG-CE2 4.37Å
166E94.9Very high96.1Very high175 Ų17559.7 Ų59.782%0.81831%0.313SS*.THydrogen-bonded Turntrans54.323.8-175.4-55.4-167.7162.200115.1L162 A163 T164 P168L162-E166 PolarHBondContact O-N 2.96Å; A163-E166 PolarHBondContact O-N 2.95Å; T164-E166 VanDerWaalsContact C-N 3.35Å; E166-P168 VanDerWaalsContact O-CD 3.23Å; E166-P168 WeakPolarHBondContact O-CD 3.19Å
167A95.6Very high96.3Very high2 Ų253.2 Ų53.22%0.01729%0.285CS..  trans-118.551.6-175.300000113.9L162 L165 E169 L170 V209 L211L162-A167 HydrophobicContact CD2-CB 4.44Å; L162-A167 PolarHBondContact O-N 2.92Å; L165-A167 PolarHBondContact O-N 3.43Å; L165-A167 VanDerWaalsContact O-N 3.11Å; A167-E169 WeakPolarHBondContact CA-OE2 3.31Å; A167-E169 PolarHBondContact O-N 3.1Å; A167-L170 HydrophobicContact CB-CD1 3.89Å; A167-L170 HydrophobicContact CB-CG 4.28Å; A167-L170 PolarHBondContact O-N 3.42Å; A167-V209 HydrophobicContact CB-CG1 4.35Å; A167-L211 HydrophobicContact CB-CD2 4.34Å
168P95.2Very high96.4Very high81 Ų8151.7 Ų51.753%0.52628%0.278SS..G310 helixtrans-63.8-21.5-174.629.5-37000114.1E166 L170 T171E166-P168 VanDerWaalsContact O-CD 3.23Å; E166-P168 WeakPolarHBondContact O-CD 3.19Å; P168-L170 PolarHBondContact O-N 3.48Å; P168-T171 VanDerWaalsContact O-CB 3.24Å; P168-T171 WeakPolarHBondContact O-CB 3.48Å; P168-T171 PolarHBondContact O-N 3.14Å; P168-T171 VanDerWaalsContact O-N 3.1Å; P168-T171 PolarHBondContact O-OG1 3.44Å
169E95.3Very high96.4Very high115 Ų11553.3 Ų53.354%0.53729%0.286SS..G310 helixtrans-61.4-26.2176.268.6-78.2-175.600113.2A167 T171A167-E169 WeakPolarHBondContact CA-OE2 3.31Å; A167-E169 PolarHBondContact O-N 3.1Å; E169-T171 PolarHBondContact O-N 2.85Å
170L97.1Very high96.6Very high0 Ų051.9 Ų51.90%027%0.274CS..G310 helixtrans-73.2-9.9176.6-59.8179.4000113.3L162 A167 P168 Q172 E173 A174 A203 A204 H207 V209L162-L170 HydrophobicContact CD1-CB 4.03Å; L162-L170 HydrophobicContact CD2-CB 3.87Å; L162-L170 HydrophobicContact CD2-CD1 4.08Å; A167-L170 HydrophobicContact CB-CD1 3.89Å; A167-L170 HydrophobicContact CB-CG 4.28Å; A167-L170 PolarHBondContact O-N 3.42Å; P168-L170 PolarHBondContact O-N 3.48Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.42Å; L170-E173 PolarHBondContact O-N 3.2Å; L170-E173 VanDerWaalsContact O-N 3.11Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 2.87Å; L170-A203 HydrophobicContact CB-CB 4.33Å; L170-A203 HydrophobicContact CD2-CB 4.48Å; L170-A204 HydrophobicContact CD1-CB 3.73Å; L170-H207 HydrophobicContact CD2-CB 3.65Å; L170-V209 HydrophobicContact CD1-CB 4.33Å; L170-V209 HydrophobicContact CD1-CG1 4.32Å; L170-V209 HydrophobicContact CD2-CB 4.45Å; L170-V209 HydrophobicContact CD2-CG2 3.97Å; L170-V209 HydrophobicContact CG-CG2 4.49Å
171T97Very high96.7Very high46 Ų4647.2 Ų47.228%0.28225%0.249SC..Hα-helixtrans-55.3-44.1-169.6-60.30000112.9L162 P168 E169 W175L162-T171 VanDerWaalsContact CD1-CA 3.41Å; P168-T171 VanDerWaalsContact O-CB 3.24Å; P168-T171 WeakPolarHBondContact O-CB 3.48Å; P168-T171 PolarHBondContact O-N 3.14Å; P168-T171 VanDerWaalsContact O-N 3.1Å; P168-T171 PolarHBondContact O-OG1 3.44Å; E169-T171 PolarHBondContact O-N 2.85Å; T171-W175 WeakPolarHBondContact O-CB 3.34Å; T171-W175 PolarHBondContact O-N 2.66Å
172Q96.7Very high96.8Very high123 Ų12346.8 Ų46.858%0.57525%0.248SC*.Hα-helixtrans-68.5-38.3-178-174.958.874.300112L170 N176L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.42Å; Q172-N176 PolarHBondContact NE2-OD1 3.47Å; Q172-N176 PolarHBondContact O-N 3.38Å; Q172-N176 PolarHBondContact O-ND2 3.22Å; Q172-N176 PolarHBondContact O-OD1 2.76Å; Q172-N176 VanDerWaalsContact O-OD1 3.14Å
173E97.4Very high96.8Very high36 Ų3649.6 Ų49.617%0.16826%0.258CS..Hα-helixtrans-76.4-42.1-178.8-178.862.5176.100111.8L170 W175 N176 L177 A203 R206L170-E173 PolarHBondContact O-N 3.2Å; L170-E173 VanDerWaalsContact O-N 3.11Å; E173-W175 VanDerWaalsContact C-N 3.26Å; E173-W175 PolarHBondContact O-N 3.39Å; E173-N176 WeakPolarHBondContact O-CB 3.2Å; E173-N176 PolarHBondContact O-N 3.41Å; E173-N176 VanDerWaalsContact O-N 3.15Å; E173-N176 PolarHBondContact OE2-ND2 3.46Å; E173-N176 VanDerWaalsContact OE2-ND2 3.16Å; E173-L177 HydrophobicContact CG-CD1 4.05Å; E173-L177 WeakPolarHBondContact O-CB 3.28Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 3.03Å; E173-A203 HydrophobicContact CB-CB 4.21Å; E173-A203 HydrophobicContact CG-CB 3.98Å; E173-R206 VanDerWaalsContact OE1-CD 3.24Å; E173-R206 WeakPolarHBondContact OE1-CD 3.33Å; E173-R206 IonicContact OE1-CZ 3.25Å; E173-R206 IonicContact OE1-NE 3.23Å; E173-R206 IonicContact OE1-NH1 2.87Å; E173-R206 PolarHBondContact OE1-NH1 2.97Å
174A98.3Very high96.9Very high0 Ų047.1 Ų47.10%024%0.236CC..Hα-helixtrans-59.2-39171.300000111.5I158 L162 L170 A178 V200 A203I158-A174 HydrophobicContact CG2-CB 3.69Å; L162-A174 HydrophobicContact CD1-CB 4.15Å; L170-A174 WeakPolarHBondContact O-CB 3.42Å; L170-A174 PolarHBondContact O-N 2.87Å; A174-A178 WeakPolarHBondContact O-CB 3.37Å; A174-A178 PolarHBondContact O-N 3.31Å; A174-V200 HydrophobicContact CB-CG2 4.09Å; A174-A203 HydrophobicContact CB-CB 4.11Å
175W97.8Very high96.9Very high94 Ų9445 Ų4536%0.35622%0.223SC..Hα-helixtrans-67-39.3174.1-169.4-84.1000112.6H155 T171 E173 A178 N179H155-W175 HydrophobicContact CB-CE3 4.25Å; H155-W175 HydrophobicContact CB-CH2 3.87Å; H155-W175 HydrophobicContact CB-CZ2 4.45Å; H155-W175 HydrophobicContact CB-CZ3 3.76Å; H155-W175 AromaticContact CD2-CD2 3.8Å; H155-W175 AromaticContact CD2-CE2 3.7Å; H155-W175 AromaticContact CD2-CZ2 3.87Å; T171-W175 WeakPolarHBondContact O-CB 3.34Å; T171-W175 PolarHBondContact O-N 2.66Å; E173-W175 VanDerWaalsContact C-N 3.26Å; E173-W175 PolarHBondContact O-N 3.39Å; W175-A178 PolarHBondContact O-N 2.63Å; W175-N179 PolarHBondContact NE1-ND2 2.88Å; W175-N179 PolarHBondContact O-N 2.88Å; W175-N179 VanDerWaalsContact O-N 3.15Å; W175-N179 PolarHBondContact O-ND2 3.48Å
176N97.6Very high97Very high65 Ų6543.8 Ų43.835%0.34822%0.217SC..Hα-helixtrans-60.4-51.8173.4-65-21.1000110.7Q172 E173 A178 N179 D180Q172-N176 PolarHBondContact NE2-OD1 3.47Å; Q172-N176 PolarHBondContact O-N 3.38Å; Q172-N176 PolarHBondContact O-ND2 3.22Å; Q172-N176 PolarHBondContact O-OD1 2.76Å; Q172-N176 VanDerWaalsContact O-OD1 3.14Å; E173-N176 WeakPolarHBondContact O-CB 3.2Å; E173-N176 PolarHBondContact O-N 3.41Å; E173-N176 VanDerWaalsContact O-N 3.15Å; E173-N176 PolarHBondContact OE2-ND2 3.46Å; E173-N176 VanDerWaalsContact OE2-ND2 3.16Å; N176-A178 VanDerWaalsContact C-N 3.28Å; N176-A178 PolarHBondContact O-N 2.98Å; N176-N179 WeakPolarHBondContact O-CA 3.36Å; N176-N179 WeakPolarHBondContact O-CB 3.47Å; N176-N179 PolarHBondContact O-N 2.97Å; N176-D180 PolarHBondContact O-N 2.69Å
177L98.1Very high97.1Very high1 Ų136.1 Ų36.11%0.00518%0.182CC..Hα-helixtrans-58.3-37.3178.1-74.5163.3000112.5E173 D180 S181 V199 A202 A203 L235 Y239E173-L177 HydrophobicContact CG-CD1 4.05Å; E173-L177 WeakPolarHBondContact O-CB 3.28Å; E173-L177 WeakPolarHBondContact O-CG 3.41Å; E173-L177 PolarHBondContact O-N 3.03Å; L177-D180 PolarHBondContact O-N 2.75Å; L177-S181 PolarHBondContact O-N 3.04Å; L177-V199 HydrophobicContact CB-CB 3.73Å; L177-V199 HydrophobicContact CB-CG1 3.81Å; L177-V199 WeakPolarHBondContact CD1-O 3.27Å; L177-A202 HydrophobicContact CD1-CB 3.94Å; L177-A203 HydrophobicContact CD1-CB 3.97Å; L177-L235 HydrophobicContact CD2-CD1 4.22Å; L177-Y239 HydrophobicContact CD2-CE2 4.15Å
178A98.2Very high97.1Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-65.1-36.9173.600000112.7P154 I158 A174 W175 N176 S181 V199P154-A178 HydrophobicContact CG-CB 4.25Å; I158-A178 HydrophobicContact CD1-CB 3.64Å; A174-A178 WeakPolarHBondContact O-CB 3.37Å; A174-A178 PolarHBondContact O-N 3.31Å; W175-A178 PolarHBondContact O-N 2.63Å; N176-A178 VanDerWaalsContact C-N 3.28Å; N176-A178 PolarHBondContact O-N 2.98Å; A178-S181 PolarHBondContact O-N 2.89Å; A178-S181 PolarHBondContact O-OG 3.42Å; A178-V199 HydrophobicContact CB-CG2 4.32Å
179N97.7Very high97.1Very high33 Ų3333.7 Ų33.718%0.17616%0.162CC..Hα-helixtrans-68.7-36.1173.8-68.4-59.4000112.2Q53 H155 W175 N176Q53-N179 PolarHBondContact NE2-OD1 2.77Å; H155-N179 PolarHBondContact NE2-OD1 2.86Å; W175-N179 PolarHBondContact NE1-ND2 2.88Å; W175-N179 PolarHBondContact O-N 2.88Å; W175-N179 VanDerWaalsContact O-N 3.15Å; W175-N179 PolarHBondContact O-ND2 3.48Å; N176-N179 WeakPolarHBondContact O-CA 3.36Å; N176-N179 WeakPolarHBondContact O-CB 3.47Å; N176-N179 PolarHBondContact O-N 2.97Å
180D97.5Very high97.1Very high36 Ų3630.1 Ų30.119%0.19315%0.145CC..Hα-helixtrans-70.9-35.2173.3-89.2-44.5000112.9N176 L177 L182 R183 L235 L238 Y239N176-D180 PolarHBondContact O-N 2.69Å; L177-D180 PolarHBondContact O-N 2.75Å; D180-L182 PolarHBondContact O-N 3.35Å; D180-L182 VanDerWaalsContact O-N 3.16Å; D180-R183 VanDerWaalsContact O-CB 3.31Å; D180-R183 WeakPolarHBondContact O-CB 3.45Å; D180-R183 PolarHBondContact O-N 2.91Å; D180-R183 WeakPolarHBondContact OD1-CD 3.48Å; D180-R183 IonicContact OD1-CZ 3.58Å; D180-R183 IonicContact OD1-NH1 2.69Å; D180-R183 PolarHBondContact OD1-NH1 3.41Å; D180-L235 HydrophobicContact CB-CD2 4.22Å; D180-L238 HydrophobicContact CB-CD2 3.97Å; D180-L238 WeakPolarHBondContact O-CD2 3.36Å; D180-Y239 HydrophobicContact CB-CE1 4.42Å; D180-Y239 WeakPolarHBondContact CB-OH 3.2Å; D180-Y239 VanDerWaalsContact CG-OH 3.31Å; D180-Y239 VanDerWaalsContact OD2-CE1 3.26Å; D180-Y239 WeakPolarHBondContact OD2-CE1 3.36Å; D180-Y239 PolarHBondContact OD2-OH 3.22Å
181S98Very high97Very high3 Ų334.9 Ų34.92%0.02117%0.165CC..Hα-helixtrans-58.8-29.7177.574.80000113.3L177 A178 R183 T184L177-S181 PolarHBondContact O-N 3.04Å; A178-S181 PolarHBondContact O-N 2.89Å; A178-S181 PolarHBondContact O-OG 3.42Å; S181-R183 PolarHBondContact O-N 2.85Å; S181-T184 WeakPolarHBondContact O-CB 3.41Å; S181-T184 PolarHBondContact O-N 2.97Å; S181-T184 PolarHBondContact O-OG1 3.46Å
182L97.6Very high97Very high1 Ų133 Ų331%0.00516%0.155CC..THydrogen-bonded Turntrans-71.4-8177.4-68.1164.4000113.6A57 Q60 V61 D180 C187A57-L182 HydrophobicContact CB-CD1 3.52Å; Q60-L182 HydrophobicContact CB-CB 4.26Å; V61-L182 HydrophobicContact CG2-CD2 3.67Å; D180-L182 PolarHBondContact O-N 3.35Å; D180-L182 VanDerWaalsContact O-N 3.16Å; L182-C187 HydrophobicContact CD2-CB 4.47Å
183R96.9Very high96.9Very high60 Ų6028.7 Ų28.723%0.22613%0.134CC..THydrogen-bonded Turntrans-87.74.1171.1-55.1166.572.6-140.3-4.6111.6C39 D40 D180 S181 L238C39-R183 HydrophobicContact CB-CB 4.26Å; C39-R183 HydrophobicContact CB-CG 4.11Å; D40-R183 IonicContact OD1-CZ 3.19Å; D40-R183 VanDerWaalsContact OD1-CZ 3.28Å; D40-R183 IonicContact OD1-NE 2.95Å; D40-R183 PolarHBondContact OD1-NE 3.4Å; D40-R183 IonicContact OD1-NH2 2.74Å; D40-R183 PolarHBondContact OD1-NH2 3.34Å; D40-R183 IonicContact OD2-NH2 2.72Å; D180-R183 VanDerWaalsContact O-CB 3.31Å; D180-R183 WeakPolarHBondContact O-CB 3.45Å; D180-R183 PolarHBondContact O-N 2.91Å; D180-R183 WeakPolarHBondContact OD1-CD 3.48Å; D180-R183 IonicContact OD1-CZ 3.58Å; D180-R183 IonicContact OD1-NH1 2.69Å; D180-R183 PolarHBondContact OD1-NH1 3.41Å; S181-R183 PolarHBondContact O-N 2.85Å; R183-L238 HydrophobicContact CB-CD1 4.39Å; R183-L238 HydrophobicContact CB-CD2 4.23Å
184T97Very high96.9Very high13 Ų1327.4 Ų27.48%0.0813%0.129CC..SBendtrans-129.1170.3-173.981.30000111.5H64 S181 L186 V234 L238H64-T184 PolarHBondContact CE1-O 3.04Å; H64-T184 PolarHBondContact ND1-O 2.78Å; S181-T184 WeakPolarHBondContact O-CB 3.41Å; S181-T184 PolarHBondContact O-N 2.97Å; S181-T184 PolarHBondContact O-OG1 3.46Å; T184-L186 PolarHBondContact O-N 3.05Å; T184-L186 VanDerWaalsContact OG1-CG 3.3Å; T184-L186 WeakPolarHBondContact OG1-CG 3.44Å; T184-L186 PolarHBondContact OG1-N 2.96Å; T184-V234 HydrophobicContact CG2-CG1 3.88Å; T184-L238 HydrophobicContact CG2-CB 4.21Å; T184-L238 HydrophobicContact CG2-CD1 4.33Å; T184-L238 HydrophobicContact CG2-CD2 3.83Å; T184-L238 HydrophobicContact CG2-CG 4.34Å
185T96.8Very high96.8Very high36 Ų3627.6 Ų27.622%0.22113%0.13CC..G310 helixtrans-75.23.4177.446.60000114.9C187 V188 R189T185-C187 VanDerWaalsContact C-N 3.27Å; T185-C187 PolarHBondContact O-N 2.95Å; T185-V188 HydrophobicContact CG2-CG2 4.48Å; T185-V188 WeakPolarHBondContact O-CG2 3.4Å; T185-V188 PolarHBondContact O-N 3.45Å; T185-R189 WeakPolarHBondContact O-CG 3.21Å; T185-R189 PolarHBondContact O-N 2.85Å
186L97.4Very high96.9Very high0 Ų023.1 Ų23.10%011%0.113CC..G310 helixtrans-55.3-40.2-179-69.3172.1000112.8T184 V188 R189 F190 V195 V231 V234T184-L186 PolarHBondContact O-N 3.05Å; T184-L186 VanDerWaalsContact OG1-CG 3.3Å; T184-L186 WeakPolarHBondContact OG1-CG 3.44Å; T184-L186 PolarHBondContact OG1-N 2.96Å; L186-V188 PolarHBondContact O-N 2.95Å; L186-R189 PolarHBondContact O-N 2.79Å; L186-F190 HydrophobicContact CD2-CD2 3.69Å; L186-F190 HydrophobicContact CD2-CE2 3.85Å; L186-F190 PolarHBondContact O-N 3.25Å; L186-V195 HydrophobicContact CB-CG2 4.21Å; L186-V231 HydrophobicContact CD1-CB 4.32Å; L186-V231 HydrophobicContact CD1-CG1 4.04Å; L186-V231 HydrophobicContact CD1-CG2 4.2Å; L186-V231 HydrophobicContact CD2-CB 4.49Å; L186-V231 HydrophobicContact CD2-CG2 3.9Å; L186-V234 HydrophobicContact CD1-CB 4.19Å; L186-V234 HydrophobicContact CD1-CG1 3.95Å; L186-V234 HydrophobicContact CD2-CB 4.12Å; L186-V234 HydrophobicContact CD2-CG1 4.22Å; L186-V234 HydrophobicContact CD2-CG2 4.15Å; L186-V234 HydrophobicContact CG-CB 4.25Å; L186-V234 HydrophobicContact CG-CG1 3.87Å
187C96.2Very high96.9Very high13 Ų1320 Ų209%0.08810%0.096CC..G310 helixtrans-69.84.2178.970.90000115.8V61 L182 T185V61-C187 HydrophobicContact CG1-CB 4.5Å; V61-C187 HydrophobicContact CG2-CB 3.85Å; L182-C187 HydrophobicContact CD2-CB 4.47Å; T185-C187 VanDerWaalsContact C-N 3.27Å; T185-C187 PolarHBondContact O-N 2.95Å
188V95.9Very high96.9Very high0 Ų020 Ų200%010%0.096CC..G310 helixtrans-129.46.2169.5-63.20000112.6F9 Y10 L11 L16 H64 R65 T185 L186F9-V188 HydrophobicContact CD1-CB 4.4Å; F9-V188 HydrophobicContact CD1-CG1 4.1Å; F9-V188 HydrophobicContact CE1-CG1 4.22Å; Y10-V188 CarbonylContact C-O 3.56Å; Y10-V188 WeakPolarHBondContact CA-O 3.28Å; L11-V188 PolarHBondContact N-O 2.84Å; L16-V188 HydrophobicContact CD2-CG2 4.27Å; H64-V188 HydrophobicContact CB-CG1 4.3Å; R65-V188 HydrophobicContact CG-CG1 3.56Å; T185-V188 HydrophobicContact CG2-CG2 4.48Å; T185-V188 WeakPolarHBondContact O-CG2 3.4Å; T185-V188 PolarHBondContact O-N 3.45Å; L186-V188 PolarHBondContact O-N 2.95Å
189R95.4Very high96.9Very high32 Ų3220 Ų2012%0.12110%0.096CC..THydrogen-bonded Turntrans-111.5-44.6177.8-70.4171.376.2-149.54.5111.6D13 L16 T185 L186 E230D13-R189 IonicContact OD1-CZ 3.1Å; D13-R189 IonicContact OD1-NE 3.81Å; D13-R189 PolarHBondContact OD1-NE 3Å; D13-R189 IonicContact OD1-NH2 2.7Å; D13-R189 PolarHBondContact OD1-NH2 3.02Å; D13-R189 IonicContact OD2-CZ 3.66Å; D13-R189 IonicContact OD2-NH2 2.72Å; D13-R189 PolarHBondContact OD2-NH2 3.12Å; L16-R189 HydrophobicContact CD1-CG 3.25Å; T185-R189 WeakPolarHBondContact O-CG 3.21Å; T185-R189 PolarHBondContact O-N 2.85Å; L186-R189 PolarHBondContact O-N 2.79Å; R189-E230 IonicContact CZ-OE1 2.88Å; R189-E230 IonicContact NH1-OE1 3.47Å; R189-E230 PolarHBondContact NH1-OE1 3.16Å; R189-E230 IonicContact NH2-OE1 3.59Å; R189-E230 PolarHBondContact NH2-OE1 3.45Å
190F95.6Very high96.9Very high40 Ų4018.4 Ų18.418%0.1759%0.088CC..SBendtrans-120.9150.9-174.8-61.7-78.1000110.4Y10 L186 V194 V195 E230Y10-F190 VanDerWaalsContact CE1-O 3.26Å; Y10-F190 WeakPolarHBondContact CE1-O 3.13Å; L186-F190 HydrophobicContact CD2-CD2 3.69Å; L186-F190 HydrophobicContact CD2-CE2 3.85Å; L186-F190 PolarHBondContact O-N 3.25Å; F190-V194 HydrophobicContact CB-CB 4.27Å; F190-V194 HydrophobicContact CB-CG1 4.37Å; F190-V194 HydrophobicContact CD1-CG1 4.04Å; F190-V194 HydrophobicContact CG-CG1 4.43Å; F190-V195 HydrophobicContact CB-CG2 3.86Å; F190-E230 HydrophobicContact CE2-CB 4.34Å; F190-E230 HydrophobicContact CE2-CG 3.71Å; F190-E230 HydrophobicContact CZ-CB 4.02Å; F190-E230 HydrophobicContact CZ-CG 3.68Å
191K95Very high96.9Very high100 Ų10018.8 Ų18.844%0.4359%0.087SC..  trans-66.9160168.8-48179.8177175.80111.2Y10 E193 V194 V195Y10-K191 HydrophobicContact CE1-CB 4.44Å; Y10-K191 HydrophobicContact CE1-CG 4.47Å; Y10-K191 HydrophobicContact CE2-CG 4.14Å; K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 WeakPolarHBondContact CB-OE2 3.41Å; K191-E193 WeakPolarHBondContact CD-OE1 3.39Å; K191-E193 IonicContact NZ-OE1 2.62Å; K191-E193 PolarHBondContact O-N 3.17Å; K191-V194 PolarHBondContact O-N 2.89Å; K191-V194 VanDerWaalsContact O-N 3.15Å; K191-V195 PolarHBondContact O-N 3.04Å; K191-V195 VanDerWaalsContact O-N 3.07Å
192S95.3Very high96.9Very high8 Ų819.3 Ų19.36%0.0569%0.092CC..Hα-helixtrans-68.7-22.7-176-77.80000114.2E152 P154 A196E152-S192 PolarHBondContact O-OG 2.93Å; P154-S192 WeakPolarHBondContact CA-O 3.44Å; S192-A196 WeakPolarHBondContact O-CB 3.18Å; S192-A196 PolarHBondContact O-N 2.69Å
193E95.5Very high96.9Very high31 Ų3119.3 Ų19.315%0.1459%0.092CC..Hα-helixtrans-61.7-49.6168.6-54.794.7121.600111.1F157 Y161 K191 A196 C197F157-E193 HydrophobicContact CD1-CG 4.45Å; F157-E193 HydrophobicContact CE1-CG 3.94Å; F157-E193 HydrophobicContact CE2-CG 4.25Å; F157-E193 HydrophobicContact CZ-CG 3.83Å; Y161-E193 WeakPolarHBondContact OH-CA 3.38Å; Y161-E193 WeakPolarHBondContact OH-CB 3.49Å; K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 WeakPolarHBondContact CB-OE2 3.41Å; K191-E193 WeakPolarHBondContact CD-OE1 3.39Å; K191-E193 IonicContact NZ-OE1 2.62Å; K191-E193 PolarHBondContact O-N 3.17Å; E193-A196 PolarHBondContact O-N 3.35Å; E193-C197 PolarHBondContact O-N 3.42Å; E193-C197 PolarHBondContact O-SG 3.22Å
194V96.9Very high96.9Very high9 Ų916.6 Ų16.66%0.0558%0.082CC..Hα-helixtrans-68.5-40.8-179.7-175.90000111.1F190 K191 A196 C197 G198 A223F190-V194 HydrophobicContact CB-CB 4.27Å; F190-V194 HydrophobicContact CB-CG1 4.37Å; F190-V194 HydrophobicContact CD1-CG1 4.04Å; F190-V194 HydrophobicContact CG-CG1 4.43Å; K191-V194 PolarHBondContact O-N 2.89Å; K191-V194 VanDerWaalsContact O-N 3.15Å; V194-A196 VanDerWaalsContact C-N 3.34Å; V194-C197 PolarHBondContact O-N 2.69Å; V194-G198 PolarHBondContact O-N 3.38Å; V194-A223 HydrophobicContact CB-CB 4.34Å; V194-A223 HydrophobicContact CG1-CB 4.4Å; V194-A223 HydrophobicContact CG2-CB 4.04Å
195V97.7Very high96.8Very high4 Ų422 Ų222%0.02410%0.101CC..Hα-helixtrans-63.8-40.4173.7-179.70000111P154 L186 F190 K191 G198 V199 V231P154-V195 HydrophobicContact CB-CB 4.14Å; P154-V195 HydrophobicContact CB-CG1 3.98Å; P154-V195 HydrophobicContact CG-CB 4.49Å; P154-V195 HydrophobicContact CG-CG1 3.96Å; L186-V195 HydrophobicContact CB-CG2 4.21Å; F190-V195 HydrophobicContact CB-CG2 3.86Å; K191-V195 PolarHBondContact O-N 3.04Å; K191-V195 VanDerWaalsContact O-N 3.07Å; V195-G198 PolarHBondContact O-N 3.04Å; V195-V199 PolarHBondContact O-N 3.03Å; V195-V231 HydrophobicContact CG2-CG2 4.4Å
196A97.9Very high96.8Very high0 Ų026.4 Ų26.40%011%0.114CC..Hα-helixtrans-63.2-41.317500000112.4P154 F157 I158 Y161 S192 E193 V194 V199 V200P154-A196 HydrophobicContact CB-CB 3.95Å; F157-A196 HydrophobicContact CB-CB 3.82Å; F157-A196 HydrophobicContact CD2-CB 4.41Å; I158-A196 HydrophobicContact CG1-CB 4.39Å; Y161-A196 HydrophobicContact CD2-CB 4.02Å; Y161-A196 HydrophobicContact CE2-CB 3.62Å; S192-A196 WeakPolarHBondContact O-CB 3.18Å; S192-A196 PolarHBondContact O-N 2.69Å; E193-A196 PolarHBondContact O-N 3.35Å; V194-A196 VanDerWaalsContact C-N 3.34Å; A196-V199 VanDerWaalsContact O-CG2 3.25Å; A196-V199 WeakPolarHBondContact O-CG2 3.06Å; A196-V200 WeakPolarHBondContact O-CB 3.36Å; A196-V200 WeakPolarHBondContact O-CG2 3.11Å; A196-V200 PolarHBondContact O-N 3.07Å; A196-V200 VanDerWaalsContact O-N 3.09Å
197C97.9Very high96.6Very high0 Ų031.7 Ų31.70%014%0.138CC..Hα-helixtrans-63.5-43.3173.4-65.40000111.8Y161 E193 V194 V199 V200 Y201 W217 A223 I228Y161-C197 VanDerWaalsContact CE2-SG 3.54Å; E193-C197 PolarHBondContact O-N 3.42Å; E193-C197 PolarHBondContact O-SG 3.22Å; V194-C197 PolarHBondContact O-N 2.69Å; C197-V199 PolarHBondContact O-N 3.47Å; C197-V200 PolarHBondContact O-N 3.36Å; C197-Y201 WeakPolarHBondContact O-CB 3.41Å; C197-Y201 PolarHBondContact O-N 3.07Å; C197-W217 HydrophobicContact CB-CH2 4Å; C197-W217 HydrophobicContact CB-CZ3 4.14Å; C197-W217 WeakPolarHBondContact O-CH2 3.41Å; C197-A223 HydrophobicContact CB-CB 3.83Å; C197-I228 HydrophobicContact CB-CD1 3.8Å; C197-I228 HydrophobicContact CB-CG1 3.94Å
198G98.1Very high96.5Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-62.2-40.1178.100000114.1V194 V195 A202V194-G198 PolarHBondContact O-N 3.38Å; V195-G198 PolarHBondContact O-N 3.04Å; G198-A202 WeakPolarHBondContact O-CB 3.18Å; G198-A202 PolarHBondContact O-N 3Å
199V98.3Very high96.4Very high0 Ų035.5 Ų35.50%017%0.174CC..Hα-helixtrans-73.4-32.5176-60.40000113I158 L177 A178 V195 A196 C197 A203 V231 L235I158-V199 HydrophobicContact CD1-CG2 4.17Å; I158-V199 HydrophobicContact CG1-CG2 4.36Å; L177-V199 HydrophobicContact CB-CB 3.73Å; L177-V199 HydrophobicContact CB-CG1 3.81Å; L177-V199 WeakPolarHBondContact CD1-O 3.27Å; A178-V199 HydrophobicContact CB-CG2 4.32Å; V195-V199 PolarHBondContact O-N 3.03Å; A196-V199 VanDerWaalsContact O-CG2 3.25Å; A196-V199 WeakPolarHBondContact O-CG2 3.06Å; C197-V199 PolarHBondContact O-N 3.47Å; V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.43Å; V199-V231 HydrophobicContact CG1-CG1 4.47Å; V199-L235 HydrophobicContact CG1-CD1 4.02Å
200V97.9Very high96.3Very high0 Ų039.5 Ų39.50%020%0.203CC..Hα-helixtrans-67.1-44.7173164.30000110.8I158 L162 L165 A174 A196 C197 A202 A203 A204 L211 W217I158-V200 HydrophobicContact CG2-CG2 4.47Å; L162-V200 HydrophobicContact CD2-CB 4.37Å; L162-V200 HydrophobicContact CD2-CG1 3.62Å; L162-V200 HydrophobicContact CD2-CG2 3.91Å; L162-V200 HydrophobicContact CG-CG2 4.01Å; L165-V200 HydrophobicContact CD1-CG1 3.72Å; A174-V200 HydrophobicContact CB-CG2 4.09Å; A196-V200 WeakPolarHBondContact O-CB 3.36Å; A196-V200 WeakPolarHBondContact O-CG2 3.11Å; A196-V200 PolarHBondContact O-N 3.07Å; A196-V200 VanDerWaalsContact O-N 3.09Å; C197-V200 PolarHBondContact O-N 3.36Å; V200-A202 PolarHBondContact O-N 3.34Å; V200-A203 PolarHBondContact O-N 3.3Å; V200-A204 WeakPolarHBondContact O-CB 3.27Å; V200-A204 PolarHBondContact O-N 3.44Å; V200-L211 HydrophobicContact CG1-CD1 4.21Å; V200-W217 HydrophobicContact CB-CH2 3.93Å; V200-W217 HydrophobicContact CG1-CH2 3.56Å; V200-W217 HydrophobicContact CG1-CZ2 3.97Å; V200-W217 HydrophobicContact CG1-CZ3 4.25Å
201Y97.4Very high96.2Very high44 Ų4438.5 Ų38.517%0.17320%0.2CC..Hα-helixtrans-58.3-47.5174-174.2-85.2000111.5C197 A203 A204 R205 W217 W218 I228C197-Y201 WeakPolarHBondContact O-CB 3.41Å; C197-Y201 PolarHBondContact O-N 3.07Å; Y201-A203 PolarHBondContact O-N 2.83Å; Y201-A204 PolarHBondContact O-N 3.37Å; Y201-R205 HydrophobicContact CD1-CG 4.05Å; Y201-R205 HydrophobicContact CE1-CG 3.78Å; Y201-R205 WeakPolarHBondContact O-CG 3.13Å; Y201-R205 PolarHBondContact O-N 3.13Å; Y201-R205 PolarHBondContact OH-NE 3.32Å; Y201-R205 PolarHBondContact OH-NH2 3.06Å; Y201-W217 HydrophobicContact CD2-CZ2 4.41Å; Y201-W218 HydrophobicContact CD2-CE3 4.42Å; Y201-W218 HydrophobicContact CD2-CZ3 4.04Å; Y201-W218 HydrophobicContact CE2-CH2 4.4Å; Y201-W218 AromaticContact CE2-CZ3 3.87Å; Y201-W218 HydrophobicContact CE2-CZ3 3.87Å; Y201-I228 HydrophobicContact CD1-CG2 3.99Å; Y201-I228 HydrophobicContact CD2-CG2 3.86Å; Y201-I228 HydrophobicContact CE2-CG2 4.46Å; Y201-I228 HydrophobicContact CG-CG2 3.6Å
202A97.6Very high96.1Very high15 Ų1537 Ų3712%0.12420%0.201CC..Hα-helixtrans-63.2-38.8177.400000112.8L177 G198 V200 R206L177-A202 HydrophobicContact CD1-CB 3.94Å; G198-A202 WeakPolarHBondContact O-CB 3.18Å; G198-A202 PolarHBondContact O-N 3Å; V200-A202 PolarHBondContact O-N 3.34Å; A202-R206 WeakPolarHBondContact O-CB 3.23Å; A202-R206 VanDerWaalsContact O-CG 3.28Å; A202-R206 WeakPolarHBondContact O-CG 3.42Å; A202-R206 PolarHBondContact O-N 2.84Å; A202-R206 VanDerWaalsContact O-N 3.08Å
203A98Very high95.9Very high0 Ų041.8 Ų41.80%022%0.222CC..Hα-helixtrans-64.2-48.2174.200000111.7L170 E173 A174 L177 V199 V200 Y201 R205 R206 H207L170-A203 HydrophobicContact CB-CB 4.33Å; L170-A203 HydrophobicContact CD2-CB 4.48Å; E173-A203 HydrophobicContact CB-CB 4.21Å; E173-A203 HydrophobicContact CG-CB 3.98Å; A174-A203 HydrophobicContact CB-CB 4.11Å; L177-A203 HydrophobicContact CD1-CB 3.97Å; V199-A203 WeakPolarHBondContact O-CB 3.31Å; V199-A203 PolarHBondContact O-N 3.43Å; V200-A203 PolarHBondContact O-N 3.3Å; Y201-A203 PolarHBondContact O-N 2.83Å; A203-R205 PolarHBondContact O-N 3Å; A203-R206 WeakPolarHBondContact O-CB 3.4Å; A203-R206 PolarHBondContact O-N 3.08Å; A203-R206 VanDerWaalsContact O-N 3.17Å; A203-H207 PolarHBondContact O-CD2 2.94Å; A203-H207 PolarHBondContact O-N 3.14Å
204A97.3Very high95.6Very high3 Ų347.7 Ų47.73%0.02525%0.254CS..Hα-helixtrans-59.6-47.5179.500000112L170 V200 Y201 R206 H207 G208 V209 L211L170-A204 HydrophobicContact CD1-CB 3.73Å; V200-A204 WeakPolarHBondContact O-CB 3.27Å; V200-A204 PolarHBondContact O-N 3.44Å; Y201-A204 PolarHBondContact O-N 3.37Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-R206 PolarHBondContact O-N 2.44Å; A204-H207 PolarHBondContact O-N 2.74Å; A204-G208 PolarHBondContact O-N 2.85Å; A204-V209 HydrophobicContact CB-CB 4.42Å; A204-V209 PolarHBondContact O-N 2.89Å; A204-L211 HydrophobicContact CB-CD1 3.54Å; A204-L211 HydrophobicContact CB-CD2 4.49Å; A204-L211 HydrophobicContact CB-CG 3.82Å
205R95.6Very high95.3Very high126 Ų12651.7 Ų51.748%0.47528%0.281SS..Hα-helixtrans-64.3-31.3176.3-64.7-63.4-164.2-148.5-0.4113Y201 A203 E213Y201-R205 HydrophobicContact CD1-CG 4.05Å; Y201-R205 HydrophobicContact CE1-CG 3.78Å; Y201-R205 WeakPolarHBondContact O-CG 3.13Å; Y201-R205 PolarHBondContact O-N 3.13Å; Y201-R205 PolarHBondContact OH-NE 3.32Å; Y201-R205 PolarHBondContact OH-NH2 3.06Å; A203-R205 PolarHBondContact O-N 3Å; R205-E213 IonicContact CZ-OE1 3.22Å; R205-E213 IonicContact NH1-OE1 2.66Å; R205-E213 PolarHBondContact NH1-OE1 3.32Å; R205-E213 IonicContact NH2-OE1 3.04Å; R205-E213 PolarHBondContact NH2-OE1 2.61Å
206R95.2Very high95.1Very high130 Ų13053.4 Ų53.449%0.49129%0.292SS..Hα-helixtrans-69.4-38.4172.9-80176.9178.4-163.6-2.1113.1E173 A202 A203 A204E173-R206 VanDerWaalsContact OE1-CD 3.24Å; E173-R206 WeakPolarHBondContact OE1-CD 3.33Å; E173-R206 IonicContact OE1-CZ 3.25Å; E173-R206 IonicContact OE1-NE 3.23Å; E173-R206 IonicContact OE1-NH1 2.87Å; E173-R206 PolarHBondContact OE1-NH1 2.97Å; A202-R206 WeakPolarHBondContact O-CB 3.23Å; A202-R206 VanDerWaalsContact O-CG 3.28Å; A202-R206 WeakPolarHBondContact O-CG 3.42Å; A202-R206 PolarHBondContact O-N 2.84Å; A202-R206 VanDerWaalsContact O-N 3.08Å; A203-R206 WeakPolarHBondContact O-CB 3.4Å; A203-R206 PolarHBondContact O-N 3.08Å; A203-R206 VanDerWaalsContact O-N 3.17Å; A204-R206 VanDerWaalsContact C-N 3.32Å; A204-R206 PolarHBondContact O-N 2.44Å
207H94.5Very high95Very high110 Ų11053.9 Ų53.951%0.50929%0.294SS..Hα-helixtrans-88.7-7.6-178.7-79.1-97.5000114L170 A203 A204 V209L170-H207 HydrophobicContact CD2-CB 3.65Å; A203-H207 PolarHBondContact O-CD2 2.94Å; A203-H207 PolarHBondContact O-N 3.14Å; A204-H207 PolarHBondContact O-N 2.74Å; H207-V209 VanDerWaalsContact C-N 3.28Å; H207-V209 HydrophobicContact CB-CG2 4.05Å
208G94.3Very high94.9Very high63 Ų6354.6 Ų54.665%0.64930%0.296SS*.THydrogen-bonded Turntrans73.617.2-175.700000113.9A204 P210A204-G208 PolarHBondContact O-N 2.85Å; G208-P210 WeakPolarHBondContact O-CD 3.15Å
209V94Very high94.7Very high31 Ų3159 Ų5919%0.18832%0.32CS..  trans-78.6121.5178.61760000109.1A167 L170 A204 H207 L211A167-V209 HydrophobicContact CB-CG1 4.35Å; L170-V209 HydrophobicContact CD1-CB 4.33Å; L170-V209 HydrophobicContact CD1-CG1 4.32Å; L170-V209 HydrophobicContact CD2-CB 4.45Å; L170-V209 HydrophobicContact CD2-CG2 3.97Å; L170-V209 HydrophobicContact CG-CG2 4.49Å; A204-V209 HydrophobicContact CB-CB 4.42Å; A204-V209 PolarHBondContact O-N 2.89Å; H207-V209 VanDerWaalsContact C-N 3.28Å; H207-V209 HydrophobicContact CB-CG2 4.05Å; V209-L211 HydrophobicContact CG1-CD2 4.31Å
210P93.1Very high94.5Very high115 Ų11564.1 Ų64.175%0.74735%0.351SS*.  trans-73.3136.2172.131-32.9000109.9G208G208-P210 WeakPolarHBondContact O-CD 3.15Å
211L93.3Very high94.3Very high19 Ų1965 Ų6510%0.09936%0.355CS..  trans-115.3159.7171.6-62.4-179.9000109.4L165 A167 V200 A204 V209 E213 W217L165-L211 HydrophobicContact CB-CD2 4.26Å; L165-L211 HydrophobicContact CD1-CD1 4.33Å; L165-L211 HydrophobicContact CD1-CD2 4.41Å; A167-L211 HydrophobicContact CB-CD2 4.34Å; V200-L211 HydrophobicContact CG1-CD1 4.21Å; A204-L211 HydrophobicContact CB-CD1 3.54Å; A204-L211 HydrophobicContact CB-CD2 4.49Å; A204-L211 HydrophobicContact CB-CG 3.82Å; V209-L211 HydrophobicContact CG1-CD2 4.31Å; L211-E213 PolarHBondContact O-N 2.8Å; L211-W217 VanDerWaalsContact CB-CD1 3.49Å; L211-W217 HydrophobicContact CB-CG 4.33Å; L211-W217 HydrophobicContact CD1-CD2 4.41Å; L211-W217 HydrophobicContact CD1-CZ2 3.7Å
212P92.5Very high94Very high70 Ų7069.4 Ų69.446%0.45538%0.381SS..  trans-64.2117.5-176.7-22.533.7000113.2W217P212-W217 HydrophobicContact CB-CB 4.26Å; P212-W217 HydrophobicContact CG-CB 4.45Å; P212-W217 WeakPolarHBondContact O-CB 3.37Å; P212-W217 VanDerWaalsContact O-CD1 3.24Å; P212-W217 PolarHBondContact O-N 2.96Å
213E90.7Very high93.8Very high107 Ų10769 Ų6950%0.538%0.378SS..BIsolated β-bridgetrans-100.8-10.8179-71.2177.4-174.600113.2R205 L211 P216R205-E213 IonicContact CZ-OE1 3.22Å; R205-E213 IonicContact NH1-OE1 2.66Å; R205-E213 PolarHBondContact NH1-OE1 3.32Å; R205-E213 IonicContact NH2-OE1 3.04Å; R205-E213 PolarHBondContact NH2-OE1 2.61Å; L211-E213 PolarHBondContact O-N 2.8Å; E213-P216 VanDerWaalsContact O-CD 3.3Å; E213-P216 WeakPolarHBondContact O-CD 3.23Å; E213-P216 WeakPolarHBondContact O-CG 3.45Å
214D89.6Confident93.6Very high155 Ų15572.6 Ų72.683%0.82940%0.397SS*.THydrogen-bonded Turntrans-136.5109.4173.5-174.723.7000111.8
215P89.8Confident93.5Very high94 Ų9477 Ų7761%0.6142%0.417SS*.THydrogen-bonded Turncis-64152.2-15.130.6-35.6000110.7W217P215-W217 PolarHBondContact O-N 2.87Å
216P94.4Very high93.6Very high39 Ų3974 Ų7425%0.25342%0.42SS..BIsolated β-bridgetrans-58.2123.2179.4-23.229.4000112.5E213 W218 N219E213-P216 VanDerWaalsContact O-CD 3.3Å; E213-P216 WeakPolarHBondContact O-CD 3.23Å; E213-P216 WeakPolarHBondContact O-CG 3.45Å; P216-W218 HydrophobicContact CB-CD2 3.93Å; P216-W218 VanDerWaalsContact CB-CE2 3.45Å; P216-W218 HydrophobicContact CB-CE3 4.35Å; P216-W218 HydrophobicContact CB-CH2 4Å; P216-W218 HydrophobicContact CB-CZ2 3.52Å; P216-W218 HydrophobicContact CB-CZ3 4.37Å; P216-W218 HydrophobicContact CG-CZ2 4.28Å; P216-W218 PolarHBondContact O-N 3.35Å; P216-W218 VanDerWaalsContact O-N 3.09Å; P216-N219 WeakPolarHBondContact O-CB 3.11Å; P216-N219 PolarHBondContact O-N 3.3Å; P216-N219 VanDerWaalsContact O-N 3.09Å; P216-N219 PolarHBondContact O-ND2 3.44Å
217W95.3Very high93.6Very high11 Ų1167.9 Ų67.94%0.04240%0.397CS..G310 helixtrans-57.6-30.9-168.266.5-97.3000114.7L165 C197 V200 Y201 L211 P212 P215 N219 V220 F221L165-W217 HydrophobicContact CD1-CD2 4.13Å; L165-W217 HydrophobicContact CD1-CE3 3.78Å; L165-W217 HydrophobicContact CD1-CH2 4.29Å; L165-W217 HydrophobicContact CD1-CZ3 3.87Å; L165-W217 HydrophobicContact CD2-CB 3.65Å; L165-W217 HydrophobicContact CD2-CD2 3.83Å; L165-W217 HydrophobicContact CD2-CE3 3.87Å; L165-W217 HydrophobicContact CD2-CG 3.77Å; L165-W217 HydrophobicContact CG-CE3 4.37Å; C197-W217 HydrophobicContact CB-CH2 4Å; C197-W217 HydrophobicContact CB-CZ3 4.14Å; C197-W217 WeakPolarHBondContact O-CH2 3.41Å; V200-W217 HydrophobicContact CB-CH2 3.93Å; V200-W217 HydrophobicContact CG1-CH2 3.56Å; V200-W217 HydrophobicContact CG1-CZ2 3.97Å; V200-W217 HydrophobicContact CG1-CZ3 4.25Å; Y201-W217 HydrophobicContact CD2-CZ2 4.41Å; L211-W217 VanDerWaalsContact CB-CD1 3.49Å; L211-W217 HydrophobicContact CB-CG 4.33Å; L211-W217 HydrophobicContact CD1-CD2 4.41Å; L211-W217 HydrophobicContact CD1-CZ2 3.7Å; P212-W217 HydrophobicContact CB-CB 4.26Å; P212-W217 HydrophobicContact CG-CB 4.45Å; P212-W217 WeakPolarHBondContact O-CB 3.37Å; P212-W217 VanDerWaalsContact O-CD1 3.24Å; P212-W217 PolarHBondContact O-N 2.96Å; P215-W217 PolarHBondContact O-N 2.87Å; W217-N219 PolarHBondContact O-N 3.12Å; W217-V220 WeakPolarHBondContact O-CB 3.3Å; W217-V220 PolarHBondContact O-N 3.05Å; W217-F221 AromaticContact CE3-CD2 3.71Å; W217-F221 HydrophobicContact CE3-CD2 3.71Å; W217-F221 AromaticContact CE3-CE2 3.67Å; W217-F221 HydrophobicContact CE3-CE2 3.67Å; W217-F221 AromaticContact CZ3-CD2 3.71Å; W217-F221 HydrophobicContact CZ3-CD2 3.71Å; W217-F221 AromaticContact CZ3-CE2 3.87Å; W217-F221 HydrophobicContact CZ3-CE2 3.87Å
218W95.5Very high93.8Very high14 Ų1462.7 Ų62.75%0.05337%0.373CS..G310 helixtrans-66.7-21.4-178.651.279.2000114Y201 P216 V220 F221 A223 E225 I228Y201-W218 HydrophobicContact CD2-CE3 4.42Å; Y201-W218 HydrophobicContact CD2-CZ3 4.04Å; Y201-W218 HydrophobicContact CE2-CH2 4.4Å; Y201-W218 AromaticContact CE2-CZ3 3.87Å; Y201-W218 HydrophobicContact CE2-CZ3 3.87Å; P216-W218 HydrophobicContact CB-CD2 3.93Å; P216-W218 VanDerWaalsContact CB-CE2 3.45Å; P216-W218 HydrophobicContact CB-CE3 4.35Å; P216-W218 HydrophobicContact CB-CH2 4Å; P216-W218 HydrophobicContact CB-CZ2 3.52Å; P216-W218 HydrophobicContact CB-CZ3 4.37Å; P216-W218 HydrophobicContact CG-CZ2 4.28Å; P216-W218 PolarHBondContact O-N 3.35Å; P216-W218 VanDerWaalsContact O-N 3.09Å; W218-V220 PolarHBondContact O-N 2.99Å; W218-F221 PolarHBondContact O-N 2.95Å; W218-A223 HydrophobicContact CB-CB 4.35Å; W218-A223 PolarHBondContact O-N 2.62Å; W218-E225 HydrophobicContact CH2-CG 4.32Å; W218-E225 HydrophobicContact CZ2-CB 3.91Å; W218-E225 HydrophobicContact CZ2-CG 3.68Å; W218-I228 HydrophobicContact CB-CD1 3.32Å; W218-I228 HydrophobicContact CD2-CD1 3.71Å; W218-I228 HydrophobicContact CE3-CD1 4.11Å; W218-I228 HydrophobicContact CG-CD1 3.41Å; W218-I228 VanDerWaalsContact CG-CD1 3.41Å
219N93.9Very high93.9Very high93 Ų9364.7 Ų64.750%0.49737%0.366SS..G310 helixtrans-62.5-22.6175.8-63.7-30.9000112.5P216 W217 F221P216-N219 WeakPolarHBondContact O-CB 3.11Å; P216-N219 PolarHBondContact O-N 3.3Å; P216-N219 VanDerWaalsContact O-N 3.09Å; P216-N219 PolarHBondContact O-ND2 3.44Å; W217-N219 PolarHBondContact O-N 3.12Å; N219-F221 PolarHBondContact O-N 2.9Å
220V94.1Very high94.1Very high107 Ų10764.7 Ų64.765%0.64836%0.364SS*.G310 helixtrans-75.5-12.5176.1-177.80000112.1W217 W218W217-V220 WeakPolarHBondContact O-CB 3.3Å; W217-V220 PolarHBondContact O-N 3.05Å; W218-V220 PolarHBondContact O-N 2.99Å
221F94.8Very high94.3Very high19 Ų1959.2 Ų59.28%0.08333%0.328CS..G310 helixtrans-122.124.3-172.4-55.6-43.4000113.5Y161 T164 L165 W217 W218 N219 A223Y161-F221 HydrophobicContact CD1-CB 4.39Å; Y161-F221 AromaticContact CD1-CD1 3.44Å; Y161-F221 HydrophobicContact CD1-CD1 3.44Å; Y161-F221 VanDerWaalsContact CD1-CD1 3.44Å; Y161-F221 AromaticContact CD1-CD2 3.84Å; Y161-F221 HydrophobicContact CD1-CD2 3.84Å; Y161-F221 AromaticContact CD1-CE1 3.51Å; Y161-F221 HydrophobicContact CD1-CE1 3.51Å; Y161-F221 AromaticContact CD1-CE2 3.88Å; Y161-F221 HydrophobicContact CD1-CE2 3.88Å; Y161-F221 AromaticContact CD1-CG 3.62Å; Y161-F221 HydrophobicContact CD1-CG 3.62Å; Y161-F221 AromaticContact CD1-CZ 3.73Å; Y161-F221 HydrophobicContact CD1-CZ 3.73Å; Y161-F221 HydrophobicContact CD2-CD2 4.15Å; Y161-F221 HydrophobicContact CD2-CE2 4.5Å; Y161-F221 HydrophobicContact CD2-CG 4.4Å; Y161-F221 HydrophobicContact CE1-CB 3.8Å; Y161-F221 AromaticContact CE1-CD1 3.37Å; Y161-F221 HydrophobicContact CE1-CD1 3.37Å; Y161-F221 HydrophobicContact CE1-CD2 4.12Å; Y161-F221 AromaticContact CE1-CE1 3.93Å; Y161-F221 HydrophobicContact CE1-CE1 3.93Å; Y161-F221 AromaticContact CE1-CG 3.49Å; Y161-F221 HydrophobicContact CE1-CG 3.49Å; Y161-F221 VanDerWaalsContact CE1-CG 3.49Å; Y161-F221 HydrophobicContact CE2-CB 4.18Å; Y161-F221 HydrophobicContact CE2-CD2 4.4Å; Y161-F221 HydrophobicContact CE2-CG 4.28Å; Y161-F221 HydrophobicContact CG-CD1 4.31Å; Y161-F221 AromaticContact CG-CD2 3.86Å; Y161-F221 HydrophobicContact CG-CD2 3.86Å; Y161-F221 HydrophobicContact CG-CE1 4.3Å; Y161-F221 AromaticContact CG-CE2 3.84Å; Y161-F221 HydrophobicContact CG-CE2 3.84Å; Y161-F221 HydrophobicContact CG-CG 4.1Å; Y161-F221 HydrophobicContact CG-CZ 4.08Å; Y161-F221 AromaticContact CZ-CG 3.84Å; T164-F221 HydrophobicContact CG2-CE1 4.22Å; T164-F221 HydrophobicContact CG2-CZ 3.86Å; L165-F221 HydrophobicContact CD1-CE2 4.41Å; L165-F221 HydrophobicContact CG-CE2 4.37Å; W217-F221 AromaticContact CE3-CD2 3.71Å; W217-F221 HydrophobicContact CE3-CD2 3.71Å; W217-F221 AromaticContact CE3-CE2 3.67Å; W217-F221 HydrophobicContact CE3-CE2 3.67Å; W217-F221 AromaticContact CZ3-CD2 3.71Å; W217-F221 HydrophobicContact CZ3-CD2 3.71Å; W217-F221 AromaticContact CZ3-CE2 3.87Å; W217-F221 HydrophobicContact CZ3-CE2 3.87Å; W218-F221 PolarHBondContact O-N 2.95Å; N219-F221 PolarHBondContact O-N 2.9Å; F221-A223 PolarHBondContact O-N 3.17Å; F221-A223 VanDerWaalsContact O-N 3.15Å
222D90.1Very high94.5Very high137 Ų13759.7 Ų59.773%0.73333%0.332SS*.THydrogen-bonded Turntrans54.229.6179-64.6-43000114.5
223A94.1Very high94.8Very high7 Ų762.9 Ų62.96%0.05834%0.335CS..  trans-112.5147.817900000111.9V194 C197 W218 F221 I228V194-A223 HydrophobicContact CB-CB 4.34Å; V194-A223 HydrophobicContact CG1-CB 4.4Å; V194-A223 HydrophobicContact CG2-CB 4.04Å; C197-A223 HydrophobicContact CB-CB 3.83Å; W218-A223 HydrophobicContact CB-CB 4.35Å; W218-A223 PolarHBondContact O-N 2.62Å; F221-A223 PolarHBondContact O-N 3.17Å; F221-A223 VanDerWaalsContact O-N 3.15Å; A223-I228 HydrophobicContact CB-CD1 4.34Å
224D94Very high95.1Very high75 Ų7558.6 Ų58.640%0.40132%0.317SS..  trans-106.5155.8178.971.4-73.7000112.3A226 G227 I228D224-A226 VanDerWaalsContact C-N 3.35Å; D224-A226 PolarHBondContact O-N 3.29Å; D224-A226 WeakPolarHBondContact OD2-CB 3.25Å; D224-A226 PolarHBondContact OD2-N 3.48Å; D224-G227 PolarHBondContact O-N 3.23Å; D224-G227 PolarHBondContact OD2-N 3Å; D224-I228 WeakPolarHBondContact O-CG1 3.47Å; D224-I228 PolarHBondContact O-N 3.12Å; D224-I228 VanDerWaalsContact O-N 3.12Å
225E95.4Very high95.5Very high94 Ų9451.4 Ų51.444%0.43928%0.278SS..Hα-helixtrans-64.5-37.5-177.9-167.2-172.8165.100112.4W218 I228 Q229W218-E225 HydrophobicContact CH2-CG 4.32Å; W218-E225 HydrophobicContact CZ2-CB 3.91Å; W218-E225 HydrophobicContact CZ2-CG 3.68Å; E225-I228 PolarHBondContact O-N 3.47Å; E225-Q229 HydrophobicContact CG-CG 4.28Å; E225-Q229 WeakPolarHBondContact O-CB 3.26Å; E225-Q229 WeakPolarHBondContact O-CG 3.48Å; E225-Q229 PolarHBondContact O-N 3.44Å; E225-Q229 PolarHBondContact OE1-NE2 3.11Å
226A96.4Very high95.8Very high65 Ų6550 Ų5054%0.53727%0.274SS..Hα-helixtrans-67.2-40.2-178.500000111.5D224 Q229 E230D224-A226 VanDerWaalsContact C-N 3.35Å; D224-A226 PolarHBondContact O-N 3.29Å; D224-A226 WeakPolarHBondContact OD2-CB 3.25Å; D224-A226 PolarHBondContact OD2-N 3.48Å; A226-Q229 PolarHBondContact O-N 3.08Å; A226-E230 VanDerWaalsContact O-CB 3.23Å; A226-E230 WeakPolarHBondContact O-CB 3.27Å; A226-E230 PolarHBondContact O-N 2.98Å
227G96.6Very high95.9Very high1 Ų152.5 Ų52.51%0.0128%0.282CS..Hα-helixtrans-60.5-42.2170.500000112.9D224 E230 V231D224-G227 PolarHBondContact O-N 3.23Å; D224-G227 PolarHBondContact OD2-N 3Å; G227-E230 PolarHBondContact O-N 2.99Å; G227-V231 VanDerWaalsContact O-CG2 3.26Å; G227-V231 WeakPolarHBondContact O-CG2 3.42Å; G227-V231 PolarHBondContact O-N 2.97Å
228I97.1Very high96Very high1 Ų152.5 Ų52.51%0.00528%0.283CS..Hα-helixtrans-64.9-47.7176.3-73.3168000111.7C197 Y201 W218 A223 D224 E225 E230 V231 C232C197-I228 HydrophobicContact CB-CD1 3.8Å; C197-I228 HydrophobicContact CB-CG1 3.94Å; Y201-I228 HydrophobicContact CD1-CG2 3.99Å; Y201-I228 HydrophobicContact CD2-CG2 3.86Å; Y201-I228 HydrophobicContact CE2-CG2 4.46Å; Y201-I228 HydrophobicContact CG-CG2 3.6Å; W218-I228 HydrophobicContact CB-CD1 3.32Å; W218-I228 HydrophobicContact CD2-CD1 3.71Å; W218-I228 HydrophobicContact CE3-CD1 4.11Å; W218-I228 HydrophobicContact CG-CD1 3.41Å; W218-I228 VanDerWaalsContact CG-CD1 3.41Å; A223-I228 HydrophobicContact CB-CD1 4.34Å; D224-I228 WeakPolarHBondContact O-CG1 3.47Å; D224-I228 PolarHBondContact O-N 3.12Å; D224-I228 VanDerWaalsContact O-N 3.12Å; E225-I228 PolarHBondContact O-N 3.47Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.81Å; I228-V231 PolarHBondContact O-N 3.36Å; I228-C232 PolarHBondContact O-N 2.95Å; I228-C232 PolarHBondContact O-SG 2.91Å
229Q97.1Very high96Very high105 Ų10556.1 Ų56.149%0.49130%0.297SS..Hα-helixtrans-60.5-41.3175.8-70.9-177.215.700111.2E225 A226 C232 R233E225-Q229 HydrophobicContact CG-CG 4.28Å; E225-Q229 WeakPolarHBondContact O-CB 3.26Å; E225-Q229 WeakPolarHBondContact O-CG 3.48Å; E225-Q229 PolarHBondContact O-N 3.44Å; E225-Q229 PolarHBondContact OE1-NE2 3.11Å; A226-Q229 PolarHBondContact O-N 3.08Å; Q229-C232 WeakPolarHBondContact O-CB 2.92Å; Q229-C232 PolarHBondContact O-N 2.74Å; Q229-R233 WeakPolarHBondContact O-CB 3.3Å; Q229-R233 PolarHBondContact O-N 3.47Å
230E97.4Very high96.1Very high31 Ų3155.7 Ų55.715%0.14530%0.301CS..Hα-helixtrans-69.1-39.5178.9177.757.5-168.100112.8R189 F190 A226 G227 I228 C232 R233 V234R189-E230 IonicContact CZ-OE1 2.88Å; R189-E230 IonicContact NH1-OE1 3.47Å; R189-E230 PolarHBondContact NH1-OE1 3.16Å; R189-E230 IonicContact NH2-OE1 3.59Å; R189-E230 PolarHBondContact NH2-OE1 3.45Å; F190-E230 HydrophobicContact CE2-CB 4.34Å; F190-E230 HydrophobicContact CE2-CG 3.71Å; F190-E230 HydrophobicContact CZ-CB 4.02Å; F190-E230 HydrophobicContact CZ-CG 3.68Å; A226-E230 VanDerWaalsContact O-CB 3.23Å; A226-E230 WeakPolarHBondContact O-CB 3.27Å; A226-E230 PolarHBondContact O-N 2.98Å; G227-E230 PolarHBondContact O-N 2.99Å; I228-E230 VanDerWaalsContact C-N 3.31Å; I228-E230 PolarHBondContact O-N 2.81Å; E230-C232 VanDerWaalsContact C-N 3.32Å; E230-C232 PolarHBondContact O-N 2.86Å; E230-R233 VanDerWaalsContact CD-NH2 3.31Å; E230-R233 PolarHBondContact O-N 2.83Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 IonicContact OE1-NH2 3.63Å; E230-R233 PolarHBondContact OE1-NH2 3.43Å; E230-R233 IonicContact OE2-CZ 2.69Å; E230-R233 VanDerWaalsContact OE2-CZ 3.32Å; E230-R233 IonicContact OE2-NE 2.68Å; E230-R233 PolarHBondContact OE2-NE 2.93Å; E230-R233 IonicContact OE2-NH2 3.84Å; E230-R233 PolarHBondContact OE2-NH2 2.88Å; E230-R233 VanDerWaalsContact OE2-NH2 3.1Å; E230-V234 HydrophobicContact CG-CG2 4.47Å; E230-V234 WeakPolarHBondContact O-CB 3.2Å; E230-V234 VanDerWaalsContact O-CG2 3.3Å; E230-V234 WeakPolarHBondContact O-CG2 3.37Å; E230-V234 PolarHBondContact O-N 2.99Å; E230-V234 VanDerWaalsContact OE1-CG2 3.27Å; E230-V234 WeakPolarHBondContact OE1-CG2 3.43Å
231V98Very high96.1Very high0 Ų053.5 Ų53.50%029%0.286CS..Hα-helixtrans-57.4-47170.2167.90000110.3L186 V195 V199 G227 I228 R233 V234 L235L186-V231 HydrophobicContact CD1-CB 4.32Å; L186-V231 HydrophobicContact CD1-CG1 4.04Å; L186-V231 HydrophobicContact CD1-CG2 4.2Å; L186-V231 HydrophobicContact CD2-CB 4.49Å; L186-V231 HydrophobicContact CD2-CG2 3.9Å; V195-V231 HydrophobicContact CG2-CG2 4.4Å; V199-V231 HydrophobicContact CG1-CG1 4.47Å; G227-V231 VanDerWaalsContact O-CG2 3.26Å; G227-V231 WeakPolarHBondContact O-CG2 3.42Å; G227-V231 PolarHBondContact O-N 2.97Å; I228-V231 PolarHBondContact O-N 3.36Å; V231-R233 PolarHBondContact O-N 2.69Å; V231-V234 PolarHBondContact O-N 3.45Å; V231-L235 HydrophobicContact CG1-CD1 3.83Å; V231-L235 WeakPolarHBondContact O-CB 3.43Å; V231-L235 WeakPolarHBondContact O-CG 3.3Å; V231-L235 PolarHBondContact O-N 2.65Å
232C97.8Very high96.1Very high28 Ų2858 Ų5819%0.18932%0.317CS..Hα-helixtrans-62-43.6177.5-65.20000112.2I228 Q229 E230 L235 A236I228-C232 PolarHBondContact O-N 2.95Å; I228-C232 PolarHBondContact O-SG 2.91Å; Q229-C232 WeakPolarHBondContact O-CB 2.92Å; Q229-C232 PolarHBondContact O-N 2.74Å; E230-C232 VanDerWaalsContact C-N 3.32Å; E230-C232 PolarHBondContact O-N 2.86Å; C232-L235 PolarHBondContact O-N 3.13Å; C232-A236 WeakPolarHBondContact O-CB 3.44Å; C232-A236 PolarHBondContact O-N 3.27Å
233R97.7Very high96Very high138 Ų13860.5 Ų60.552%0.52132%0.321SS..Hα-helixtrans-64-42.2178.6-167.4-166.867.177.34112.1Q229 E230 V231 A236 H237Q229-R233 WeakPolarHBondContact O-CB 3.3Å; Q229-R233 PolarHBondContact O-N 3.47Å; E230-R233 VanDerWaalsContact CD-NH2 3.31Å; E230-R233 PolarHBondContact O-N 2.83Å; E230-R233 IonicContact OE1-CZ 2.83Å; E230-R233 IonicContact OE1-NE 3.32Å; E230-R233 IonicContact OE1-NH2 3.63Å; E230-R233 PolarHBondContact OE1-NH2 3.43Å; E230-R233 IonicContact OE2-CZ 2.69Å; E230-R233 VanDerWaalsContact OE2-CZ 3.32Å; E230-R233 IonicContact OE2-NE 2.68Å; E230-R233 PolarHBondContact OE2-NE 2.93Å; E230-R233 IonicContact OE2-NH2 3.84Å; E230-R233 PolarHBondContact OE2-NH2 2.88Å; E230-R233 VanDerWaalsContact OE2-NH2 3.1Å; V231-R233 PolarHBondContact O-N 2.69Å; R233-A236 PolarHBondContact O-N 3.3Å; R233-H237 WeakPolarHBondContact O-CB 3.28Å; R233-H237 PolarHBondContact O-N 3.38Å
234V97.4Very high95.6Very high17 Ų1761 Ų6110%0.10332%0.324CS..Hα-helixtrans-68.4-39.3178.3170.70000111.6T184 L186 E230 V231 H237 L238T184-V234 HydrophobicContact CG2-CG1 3.88Å; L186-V234 HydrophobicContact CD1-CB 4.19Å; L186-V234 HydrophobicContact CD1-CG1 3.95Å; L186-V234 HydrophobicContact CD2-CB 4.12Å; L186-V234 HydrophobicContact CD2-CG1 4.22Å; L186-V234 HydrophobicContact CD2-CG2 4.15Å; L186-V234 HydrophobicContact CG-CB 4.25Å; L186-V234 HydrophobicContact CG-CG1 3.87Å; E230-V234 HydrophobicContact CG-CG2 4.47Å; E230-V234 WeakPolarHBondContact O-CB 3.2Å; E230-V234 VanDerWaalsContact O-CG2 3.3Å; E230-V234 WeakPolarHBondContact O-CG2 3.37Å; E230-V234 PolarHBondContact O-N 2.99Å; E230-V234 VanDerWaalsContact OE1-CG2 3.27Å; E230-V234 WeakPolarHBondContact OE1-CG2 3.43Å; V231-V234 PolarHBondContact O-N 3.45Å; V234-H237 PolarHBondContact O-N 3.33Å; V234-L238 PolarHBondContact O-N 2.94Å
235L97.6Very high95.5Very high4 Ų464.8 Ų64.82%0.02134%0.339CS..Hα-helixtrans-64.9-46.3173.2-73.5166.2000111.4L177 D180 V199 V231 C232 H237 L238 Y239L177-L235 HydrophobicContact CD2-CD1 4.22Å; D180-L235 HydrophobicContact CB-CD2 4.22Å; V199-L235 HydrophobicContact CG1-CD1 4.02Å; V231-L235 HydrophobicContact CG1-CD1 3.83Å; V231-L235 WeakPolarHBondContact O-CB 3.43Å; V231-L235 WeakPolarHBondContact O-CG 3.3Å; V231-L235 PolarHBondContact O-N 2.65Å; C232-L235 PolarHBondContact O-N 3.13Å; L235-H237 VanDerWaalsContact C-N 3.28Å; L235-H237 PolarHBondContact O-N 3.09Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 2.77Å; L235-L238 VanDerWaalsContact O-N 3.14Å; L235-Y239 HydrophobicContact CB-CE2 4.21Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 2.96Å
236A97Very high95.3Very high63 Ų6362.6 Ų62.652%0.52133%0.328SS..Hα-helixtrans-57.9-40.8174.600000112C232 R233 Y239 S240C232-A236 WeakPolarHBondContact O-CB 3.44Å; C232-A236 PolarHBondContact O-N 3.27Å; R233-A236 PolarHBondContact O-N 3.3Å; A236-Y239 PolarHBondContact O-N 3.38Å; A236-S240 PolarHBondContact O-N 3.15Å
237H96.6Very high95.1Very high92 Ų9262.6 Ų62.643%0.42632%0.318SS..Hα-helixtrans-65-44.6173.8-178.246000112.2R233 V234 L235 Y239 S240 L241R233-H237 WeakPolarHBondContact O-CB 3.28Å; R233-H237 PolarHBondContact O-N 3.38Å; V234-H237 PolarHBondContact O-N 3.33Å; L235-H237 VanDerWaalsContact C-N 3.28Å; L235-H237 PolarHBondContact O-N 3.09Å; H237-Y239 VanDerWaalsContact C-N 3.27Å; H237-Y239 PolarHBondContact O-N 3.18Å; H237-S240 PolarHBondContact ND1-OG 2.98Å; H237-S240 WeakPolarHBondContact O-CA 3.35Å; H237-S240 WeakPolarHBondContact O-CB 3.27Å; H237-S240 PolarHBondContact O-N 2.94Å; H237-S240 PolarHBondContact O-OG 3.21Å; H237-L241 PolarHBondContact O-N 3.37Å
238L96.8Very high94.8Very high12 Ų1266.8 Ų66.86%0.06334%0.337CS..Hα-helixtrans-54.5-43176.1176.768.6000111.8V36 D180 R183 T184 V234 L235 S240 L241V36-L238 HydrophobicContact CG2-CD1 3.98Å; D180-L238 HydrophobicContact CB-CD2 3.97Å; D180-L238 WeakPolarHBondContact O-CD2 3.36Å; R183-L238 HydrophobicContact CB-CD1 4.39Å; R183-L238 HydrophobicContact CB-CD2 4.23Å; T184-L238 HydrophobicContact CG2-CB 4.21Å; T184-L238 HydrophobicContact CG2-CD1 4.33Å; T184-L238 HydrophobicContact CG2-CD2 3.83Å; T184-L238 HydrophobicContact CG2-CG 4.34Å; V234-L238 PolarHBondContact O-N 2.94Å; L235-L238 WeakPolarHBondContact O-CB 3.48Å; L235-L238 PolarHBondContact O-N 2.77Å; L235-L238 VanDerWaalsContact O-N 3.14Å; L238-S240 VanDerWaalsContact C-N 3.26Å; L238-S240 PolarHBondContact O-N 3.3Å; L238-L241 PolarHBondContact O-N 3.12Å
239Y95.8Very high94.4Very high90 Ų9068.4 Ų68.435%0.35335%0.347SS..Hα-helixtrans-71.6-16.9177.7-61.8-55.5000114.1L177 D180 L235 A236 H237L177-Y239 HydrophobicContact CD2-CE2 4.15Å; D180-Y239 HydrophobicContact CB-CE1 4.42Å; D180-Y239 WeakPolarHBondContact CB-OH 3.2Å; D180-Y239 VanDerWaalsContact CG-OH 3.31Å; D180-Y239 VanDerWaalsContact OD2-CE1 3.26Å; D180-Y239 WeakPolarHBondContact OD2-CE1 3.36Å; D180-Y239 PolarHBondContact OD2-OH 3.22Å; L235-Y239 HydrophobicContact CB-CE2 4.21Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 2.96Å; A236-Y239 PolarHBondContact O-N 3.38Å; H237-Y239 VanDerWaalsContact C-N 3.27Å; H237-Y239 PolarHBondContact O-N 3.18Å
240S96.3Very high94Very high83 Ų8365.1 Ų65.158%0.5833%0.33SS*.Hα-helixtrans-83-13.4172.774.80000114.1A236 H237 L238A236-S240 PolarHBondContact O-N 3.15Å; H237-S240 PolarHBondContact ND1-OG 2.98Å; H237-S240 WeakPolarHBondContact O-CA 3.35Å; H237-S240 WeakPolarHBondContact O-CB 3.27Å; H237-S240 PolarHBondContact O-N 2.94Å; H237-S240 PolarHBondContact O-OG 3.21Å; L238-S240 VanDerWaalsContact C-N 3.26Å; L238-S240 PolarHBondContact O-N 3.3Å
241L94.3Very high93.1Very high61 Ų6171.9 Ų71.932%0.31936%0.359SS..SBendtrans-79144.3-176-68.2176.7000112.6T32 H237 L238T32-L241 HydrophobicContact CG2-CD1 4.05Å; H237-L241 PolarHBondContact O-N 3.37Å; L238-L241 PolarHBondContact O-N 3.12Å
242P93.5Very high92.1Very high113 Ų11376.5 Ų76.573%0.73438%0.384SS*.PPolyproline II helixtrans-65.2157.4169.830.1-35.5000111S244P242-S244 PolarHBondContact O-N 2.67Å
243K90Very high90.7Very high190 Ų19080 Ų8083%0.82640%0.401SS*.PPolyproline II helixtrans-54.4128.8177.7-176.8176.2-178.6176.30111.2
244S85.7Confident89.5Confident18 Ų1873.4 Ų73.413%0.12638%0.376CS..PPolyproline II helixtrans-56.9138.5-17575.80000112.8Y37 D40 P242Y37-S244 WeakPolarHBondContact CA-OG 3.26Å; D40-S244 PolarHBondContact OD2-OG 3.34Å; P242-S244 PolarHBondContact O-N 2.67Å
245Q90.2Very high88.5Confident154 Ų15473.3 Ų73.372%0.7238%0.376SS*.  trans-126.9155.9174.2-60-169.11900109.5
246Y91.7Very high87.5Confident49 Ų4973.6 Ų73.619%0.19238%0.377CS..  trans-81120.8178.8-177.3-107000110.7Y37 V77 K78 Q248 D254Y37-Y246 AromaticContact CD1-CD2 3.96Å; Y37-Y246 HydrophobicContact CD1-CD2 3.96Å; Y37-Y246 AromaticContact CE1-CD2 3.5Å; Y37-Y246 HydrophobicContact CE1-CD2 3.5Å; Y37-Y246 HydrophobicContact CE1-CE2 4.43Å; Y37-Y246 HydrophobicContact CE1-CG 4.15Å; Y37-Y246 AromaticContact CZ-CD2 3.98Å; V77-Y246 HydrophobicContact CB-CE2 4.31Å; K78-Y246 HydrophobicContact CD-CE2 4.17Å; K78-Y246 HydrophobicContact CG-CD2 4.45Å; K78-Y246 HydrophobicContact CG-CE2 4.01Å; Y246-Q248 HydrophobicContact CE1-CB 4.29Å; Y246-D254 WeakPolarHBondContact OH-CB 3.32Å; Y246-D254 VanDerWaalsContact OH-CG 3.3Å; Y246-D254 PolarHBondContact OH-OD2 2.83Å
247I91.5Very high86Confident65 Ų6570.9 Ų70.933%0.33335%0.354SS..  trans-101.4121.9174.5-51.7171.7000107.4T30 A33 L34 V249T30-I247 HydrophobicContact CG2-CB 4.42Å; T30-I247 HydrophobicContact CG2-CD1 3.94Å; T30-I247 HydrophobicContact CG2-CG2 4.15Å; A33-I247 HydrophobicContact CB-CD1 4.1Å; L34-I247 HydrophobicContact CD2-CB 4.12Å; L34-I247 WeakPolarHBondContact CD2-O 3.46Å; I247-V249 HydrophobicContact CB-CG2 4.3Å; I247-V249 HydrophobicContact CG2-CG2 3.8Å; I247-V249 PolarHBondContact O-N 3.22Å
248Q90.5Very high84.1Confident89 Ų8972.9 Ų72.942%0.41636%0.363SS..  trans-74.997.1-179-178.371.256.600110Y246 Y250Y246-Q248 HydrophobicContact CE1-CB 4.29Å; Q248-Y250 PolarHBondContact NE2-O 2.85Å
249V89.9Confident81.9Confident34 Ų3479.8 Ų79.821%0.20639%0.389CS..  trans-118.1-26-179.9-178.80000112.6I26 T30 L34 V73 I247I26-V249 HydrophobicContact CD1-CG1 3.54Å; I26-V249 HydrophobicContact CG1-CG1 3.78Å; T30-V249 HydrophobicContact CG2-CG2 3.93Å; L34-V249 HydrophobicContact CD1-CB 4.22Å; L34-V249 HydrophobicContact CD1-CG2 3.98Å; V73-V249 HydrophobicContact CG2-CG1 3.84Å; I247-V249 HydrophobicContact CB-CG2 4.3Å; I247-V249 HydrophobicContact CG2-CG2 3.8Å; I247-V249 PolarHBondContact O-N 3.22Å
250Y87.8Confident79Confident36 Ų3685.8 Ų85.814%0.14141%0.411CS..SBendtrans-67.9137172.4179.7-127.4000110.5F72 V73 R74 Q248 D252 D254F72-Y250 WeakPolarHBondContact O-CA 3.44Å; V73-Y250 WeakPolarHBondContact O-CD2 3.44Å; R74-Y250 WeakPolarHBondContact O-CE2 3.48Å; Q248-Y250 PolarHBondContact NE2-O 2.85Å; Y250-D252 HydrophobicContact CD1-CB 4.39Å; Y250-D252 VanDerWaalsContact CD1-O 3.23Å; Y250-D252 WeakPolarHBondContact CD1-O 3.2Å; Y250-D252 HydrophobicContact CE1-CB 3.65Å; Y250-D252 PolarHBondContact OH-OD2 3.13Å; Y250-D254 HydrophobicContact CD1-CB 4.1Å
251K78.5Confident76.2Confident174 Ų17486.9 Ų86.976%0.75741%0.414SS*.SBendtrans-74.2-32.8-171.5-70.9-176.1173.5178.80114.6V73V73-K251 HydrophobicContact CG1-CD 4.04Å; V73-K251 HydrophobicContact CG1-CG 3.93Å; V73-K251 PolarHBondContact O-N 3.49Å
252D76.6Confident73.4Confident97 Ų9788.4 Ų88.452%0.51943%0.429SS..SBendtrans-89.9162.7177.6-46.9-56.3000110.9Y250 D254Y250-D252 HydrophobicContact CD1-CB 4.39Å; Y250-D252 VanDerWaalsContact CD1-O 3.23Å; Y250-D252 WeakPolarHBondContact CD1-O 3.2Å; Y250-D252 HydrophobicContact CE1-CB 3.65Å; Y250-D252 PolarHBondContact OH-OD2 3.13Å; D252-D254 PolarHBondContact O-N 3.48Å
253N69.9Low70.5Confident100 Ų10089.7 Ų89.754%0.53543%0.43SS..  trans-65.4111.2178.6-172.1-8.9000111.1R79 S255R79-N253 PolarHBondContact NH2-O 3.23Å; N253-S255 PolarHBondContact O-N 2.85Å; N253-S255 VanDerWaalsContact OD1-CB 3.28Å; N253-S255 WeakPolarHBondContact OD1-CB 3.34Å; N253-S255 PolarHBondContact OD1-N 3.12Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å
254D72.5Confident67.9Low0 Ų085.9 Ų85.90%042%0.423CS..  trans-80.30.7-175.4-157.94.7000114S76 K78 R79 Y246 Y250 D252S76-D254 WeakPolarHBondContact CB-OD1 3.25Å; S76-D254 PolarHBondContact OG-OD1 2.96Å; S76-D254 PolarHBondContact OG-OD2 3.42Å; K78-D254 HydrophobicContact CD-CB 4.32Å; R79-D254 IonicContact NE-OD1 2.65Å; Y246-D254 WeakPolarHBondContact OH-CB 3.32Å; Y246-D254 VanDerWaalsContact OH-CG 3.3Å; Y246-D254 PolarHBondContact OH-OD2 2.83Å; Y250-D254 HydrophobicContact CD1-CB 4.1Å; D252-D254 PolarHBondContact O-N 3.48Å
255S76.5Confident65.5Low16 Ų1692.7 Ų92.711%0.11246%0.458CS..  trans-79.7130.6-165.7-161.40000114.3E109 N253 T257E109-S255 WeakPolarHBondContact OE1-CA 3.22Å; E109-S255 PolarHBondContact OE2-OG 3.39Å; N253-S255 PolarHBondContact O-N 2.85Å; N253-S255 VanDerWaalsContact OD1-CB 3.28Å; N253-S255 WeakPolarHBondContact OD1-CB 3.34Å; N253-S255 PolarHBondContact OD1-N 3.12Å; N253-S255 VanDerWaalsContact OD1-N 3.13Å; S255-T257 WeakPolarHBondContact OG-CA 3.46Å; S255-T257 PolarHBondContact OG-N 2.85Å; S255-T257 PolarHBondContact OG-O 3.23Å; S255-T257 PolarHBondContact OG-OG1 2.85Å
256F75.1Confident62.9Low9 Ų989.8 Ų89.84%0.03946%0.46CS..SBendtrans-80.5-18.9158.4-63.9-117.2000110.8K78 R79 A82 F105 H106 E109 K126 L130K78-F256 HydrophobicContact CB-CD2 4.34Å; K78-F256 HydrophobicContact CB-CE2 3.81Å; R79-F256 HydrophobicContact CG-CE2 4.12Å; R79-F256 HydrophobicContact CG-CZ 4.35Å; A82-F256 HydrophobicContact CB-CZ 4.09Å; F105-F256 HydrophobicContact CB-CD1 4.06Å; F105-F256 HydrophobicContact CB-CE1 3.72Å; F105-F256 HydrophobicContact CB-CZ 3.99Å; F105-F256 HydrophobicContact CD1-CZ 4.45Å; F105-F256 HydrophobicContact CG-CZ 4.47Å; H106-F256 HydrophobicContact CB-CB 4.11Å; H106-F256 PolarHBondContact CE1-O 2.79Å; H106-F256 PolarHBondContact ND1-O 3.18Å; E109-F256 PolarHBondContact OE1-N 3.48Å; E109-F256 WeakPolarHBondContact OE2-CA 3.31Å; E109-F256 WeakPolarHBondContact OE2-CB 3.32Å; E109-F256 PolarHBondContact OE2-N 3.08Å; K126-F256 WeakPolarHBondContact CE-O 3.29Å; K126-F256 PolarHBondContact NZ-O 3.42Å; L130-F256 HydrophobicContact CD1-CD1 4.13Å; L130-F256 HydrophobicContact CD2-CD1 3.88Å; L130-F256 HydrophobicContact CD2-CE1 4.16Å; L130-F256 HydrophobicContact CD2-CG 4.22Å
257T66.7Low60.2Low7 Ų793.1 Ų93.14%0.04349%0.491CS..SBendtrans-78.6174.8169.283.30000110.6E109 C110 E113 K126 S255E109-T257 HydrophobicContact CB-CG2 4.1Å; E109-T257 HydrophobicContact CG-CG2 3.89Å; E109-T257 VanDerWaalsContact OE2-CG2 3.27Å; E109-T257 WeakPolarHBondContact OE2-CG2 3.06Å; E109-T257 PolarHBondContact OE2-N 2.97Å; C110-T257 HydrophobicContact CB-CG2 4.43Å; C110-T257 VanDerWaalsContact SG-CG2 3.56Å; E113-T257 WeakPolarHBondContact OE2-CG2 3.34Å; E113-T257 PolarHBondContact OE2-OG1 3.47Å; K126-T257 PolarHBondContact NZ-O 3.17Å; S255-T257 WeakPolarHBondContact OG-CA 3.46Å; S255-T257 PolarHBondContact OG-N 2.85Å; S255-T257 PolarHBondContact OG-O 3.23Å; S255-T257 PolarHBondContact OG-OG1 2.85Å
258H56.1Low57.8Low133 Ų13399.4 Ų99.462%0.61652%0.516SS*.  trans-105.2107.1162.7-93.1-58.8000106.5K126 R260K126-H258 WeakPolarHBondContact CD-NE2 3.43Å; H258-R260 VanDerWaalsContact C-N 3.32Å; H258-R260 PolarHBondContact O-N 3.41Å
259R49.7Very low55.3Low157 Ų157104 Ų10459%0.59254%0.537SS*.  trans-61.7101.6156.4-74.2-170.4178.1-170.40.2107.6T261R259-T261 PolarHBondContact O-N 2.93Å
260R36.1Very low52.8Low217 Ų217107.9 Ų107.982%0.81957%0.566SS**  trans-67.7103.3154.4-65-172.5-169.5-172.66.3105.6H258 S262H258-R260 VanDerWaalsContact C-N 3.32Å; H258-R260 PolarHBondContact O-N 3.41Å; R260-S262 PolarHBondContact O-N 3.27Å; R260-S262 VanDerWaalsContact O-N 3.12Å
261T37.8Very low50.6Low106 Ų106111.7 Ų111.765%0.6560%0.595SS**  trans-62.6111.1157.442.60000106.1R259 D263R259-T261 PolarHBondContact O-N 2.93Å; T261-D263 VanDerWaalsContact C-N 3.29Å; T261-D263 PolarHBondContact O-N 2.74Å
262S34.2Very low48.7Very low92 Ų92107.9 Ų107.964%0.64360%0.596SS**  trans-73.192169.351.70000107R260 T264R260-S262 PolarHBondContact O-N 3.27Å; R260-S262 VanDerWaalsContact O-N 3.12Å; S262-T264 PolarHBondContact O-N 2.98Å; S262-T264 PolarHBondContact O-OG1 2.69Å
263D34.5Very low46.8Very low141 Ų141109.5 Ų109.575%0.75461%0.61SS**  trans-73.754.6174.9-63.7-32.4000110.7T261 N265T261-D263 VanDerWaalsContact C-N 3.29Å; T261-D263 PolarHBondContact O-N 2.74Å; D263-N265 VanDerWaalsContact C-N 3.26Å; D263-N265 PolarHBondContact O-N 2.66Å
264T34.1Very low45.4Very low109 Ų109110.8 Ų110.867%0.66962%0.621SS**  trans-7775.9171.449.80000109.2S262S262-T264 PolarHBondContact O-N 2.98Å; S262-T264 PolarHBondContact O-OG1 2.69Å
265N35.6Very low44.2Very low161 Ų161117.6 Ų117.686%0.86166%0.662SS**  trans171.188.6145.7-88.4-20.1000112.1D263D263-N265 VanDerWaalsContact C-N 3.26Å; D263-N265 PolarHBondContact O-N 2.66Å
266A34.6Very low42.6Very low93 Ų93121 Ų12177%0.76969%0.692SS**  trans-162.734.5159.900000114.3K268A266-K268 PolarHBondContact O-N 2.95Å
267S37Very low41.1Very low120 Ų120126.3 Ų126.384%0.83973%0.73SS**  trans-72.177.717052.80000110.6E269S267-E269 PolarHBondContact O-N 2.74Å
268K40.5Very low39.9Very low197 Ų197131.7 Ų131.786%0.85776%0.758SS**  trans-85.896.9165.4-87-168.1171.7-175.10109.4A266 S270A266-K268 PolarHBondContact O-N 2.95Å; K268-S270 PolarHBondContact O-N 2.87Å
269E37.5Very low39.4Very low185 Ų185133.8 Ų133.886%0.86477%0.766SS**  trans-64.9126.1159.6-63.3178123.900108.8S267S267-E269 PolarHBondContact O-N 2.74Å
270S36.4Very low38.8Very low116 Ų116130 Ų13081%0.81178%0.775SS**  trans-93.7114.3165.4-68.80000107.7K268K268-S270 PolarHBondContact O-N 2.87Å
271P41.7Very low39.5Very low115 Ų115126.3 Ų126.375%0.74778%0.778SS**  trans-67.2144.3178.528.1-34.2000110.7
272A38.7Very low39.8Very low94 Ų94126.6 Ų126.678%0.77778%0.781SS**  trans-76.9130.8175.900000110.9
273T38.3Very low40.4Very low131 Ų131128.8 Ų128.880%0.80479%0.79SS**  trans-103.5105.4177.6-43.30000110.4
274T38.9Very low40.6Very low127 Ų127127.9 Ų127.978%0.77979%0.792SS**  trans-122.495.217553.50000111.2
275V47.5Very low40.8Very low143 Ų143127.6 Ų127.687%0.86779%0.794SS**  trans-149.2148.9161.8-122.10000109.4
276A43Very low41Very low88 Ų88124.7 Ų124.773%0.72779%0.787SS**  trans-122.6149.9-178.500000111
277S44.6Very low41.3Very low121 Ų121125.6 Ų125.685%0.84679%0.788SS**  trans59.6148.9164.8-54.10000117.1
278D41.2Very low41.5Very low119 Ų119124.6 Ų124.664%0.63678%0.781SS**  cis-145.2-174.416-163.88.2000111.7
279K45.4Very low41.6Very low177 Ų177123.9 Ų123.977%0.7778%0.78SS**  trans-41.2149.1-172.2-52.3120.6-167.8139.40118.2
280G37.8Very low41.9Very low77 Ų77122.5 Ų122.579%0.79477%0.774SS**  trans170.6100.2155.700000114.3
281T50.7Low42.2Very low141 Ų141124.2 Ų124.287%0.86577%0.767SS**  trans-112.4169.1-177.11.20000111.9
282P43.8Very low42.2Very low111 Ų111125.3 Ų125.372%0.72177%0.766SS**  -129.9171.5-112.942.1-26000116.5
283V46.1Very low42.2Very low138 Ų138125 Ų12584%0.83676%0.763SS**  trans-147133.5160.2-170.50000110.8
284P40Very low42.2Very low122 Ų122126.1 Ų126.179%0.79276%0.764SS**  trans-127135.1169.836.6-23.3000114.8
285S38.1Very low42.5Very low103 Ų103128.5 Ų128.572%0.7277%0.77SS**  trans-161.7127169.459.90000116.2
286S38.7Very low42.1Very low101 Ų101130.2 Ų130.271%0.70677%0.766SS**  trans61.1135.1141.661.90000124.6
287S42.4Very low41.7Very low112 Ų112130.6 Ų130.678%0.78377%0.769SS**  trans73.1153.9149.180.50000117.7
288S41Very low41.4Very low99 Ų99128.5 Ų128.569%0.69277%0.766SS**  cis-144.5140.33.6-71.20000108.8
289Q41.4Very low41.2Very low182 Ų182128.2 Ų128.285%0.8577%0.774SS**  57.4148.890.6-74.4-166.2-55.700118.9
290E44.3Very low41.1Very low156 Ų156128 Ų12873%0.72978%0.781SS**  trans76.1150.3174.5-53.5-148.8142.100116
291K42.5Very low41Very low152 Ų152133.7 Ų133.766%0.66178%0.784SS**  cis-170170-5.1-113.8177.3-172.9143.10108.5
292D40.9Very low40.8Very low137 Ų137134.2 Ų134.273%0.73379%0.786SS**  cis-162.3175.1-16.3-146.5-36.7000109.5
293A39.4Very low40.3Very low87 Ų87137 Ų13772%0.71979%0.787SS**  trans60.7136.9167.400000119.5
294L39.4Very low39.9Very low155 Ų155135.9 Ų135.981%0.81277%0.773SS**  cis97.6106.618.2-167.176.6000116.1
295I44.7Very low39.7Very low177 Ų177139.1 Ų139.191%0.90877%0.774SS**  trans-133.3149.2158.8-65.1-177.7000108.3
296K38.4Very low39.7Very low180 Ų180137.6 Ų137.678%0.78378%0.775SS**  trans-145.7135.7-161.2-174.1-171.4-179.1-174.60113.9
297A34.9Very low39.7Very low96 Ų96140.6 Ų140.679%0.79378%0.783SS**  trans64.8145.8159.300000120.1
298G38.8Very low39.7Very low76 Ų76142.9 Ų142.978%0.78479%0.787SS**  trans-166.1122.9164.700000107.7
299S35.7Very low39.8Very low114 Ų114145.1 Ų145.180%0.79779%0.791SS**  trans-146.1134.3-173.4-56.50000108.8
300D43.8Very low39.7Very low172 Ų172139.3 Ų139.392%0.9278%0.78SS**  trans-140.5155.2175.5-108.7-48.7000114.3
301K36.7Very low39.6Very low196 Ų196140.8 Ų140.885%0.85278%0.784SS**  trans-126.2146.3179.2-84.8-179.8173.3175.70109.5
302V45.4Very low39.3Very low152 Ų152139.7 Ų139.792%0.92179%0.79SS**  trans-123.2140.6164.1-177.60000109
303K34.4Very low39.1Very low169 Ų169141 Ų14174%0.73580%0.797SS**  trans-157.4149.5-175.4-158.4-151177.6-164.50111
304E36.7Very low39.3Very low115 Ų115142 Ų14254%0.53780%0.796SS.*  trans76.3124.8161.3-83.5179.9-127.100121.6
305K36.7Very low39.3Very low190 Ų190140.1 Ų140.183%0.82680%0.795SS**  trans69.8147.5135.3-68170.8177.8155.60121.5
306G36.8Very low38.7Very low72 Ų72140.1 Ų140.174%0.74279%0.791SS**  trans149.9107.4159.300000112.8
307D39.5Very low39Very low163 Ų163137.8 Ų137.887%0.87280%0.795SS**  trans-75.7161.4174.1-43.7-87.6000112
308D41.9Very low39Very low160 Ų160140.8 Ų140.886%0.85680%0.797SS**  175.5-176.8107.8-154.615.5000113.4
309D42.8Very low39.1Very low146 Ų146140.4 Ų140.478%0.78179%0.793SS**  trans-94.3163.2-147.1-157.12.5000119.4
310G40.7Very low39.4Very low60 Ų60142.4 Ų142.462%0.61979%0.788SS**  trans93.2157151.400000120.6
311K40.8Very low39.3Very low187 Ų187141.9 Ų141.981%0.81378%0.78SS**  cis-168143.5-11.6-145169.8-171.4160.20113.4
312T37.3Very low39.5Very low130 Ų130136.1 Ų136.180%0.79878%0.776SS**  trans66.1134.7153.428.80000123.6
313L37Very low39.3Very low165 Ų165135.3 Ų135.386%0.86477%0.774SS**  trans-88.8-167.6155.7-57.8164.2000109
314P43.9Very low39.4Very low108 Ų108131.8 Ų131.870%0.70178%0.777SS**  cis-142.9-163.1-0.742.4-21000116.2
315S38.9Very low39.8Very low114 Ų114133.2 Ų133.280%0.79779%0.792SS**  trans79.5142.8147.5560000122.6
316E31Very low39.7Very low177 Ų177130.3 Ų130.383%0.82779%0.786SS**  trans-79.7173.4171.4-53.6-174.6133.500112.7
317P45.5Very low40.1Very low132 Ų132135 Ų13586%0.85779%0.794SS**  -144.3165.5102.939.1-25.7000117
318N34.5Very low40Very low158 Ų158135.5 Ų135.585%0.84579%0.788SS**  trans-76.2149.3176.9-178.54.3000113.3
319G40.4Very low39.8Very low68 Ų68133.3 Ų133.370%0.70179%0.785SS**  trans-173.576.9-17900000119.7
320K43.4Very low39.5Very low157 Ų157135.4 Ų135.468%0.68379%0.79SS**  trans47137.7140-76.2175.3153.2-79.40123.8
321E41.6Very low39.2Very low161 Ų161141.3 Ų141.375%0.75280%0.799SS**  trans45.5118.6136.7-65.8139-149.500118.9
322G39.5Very low39.1Very low75 Ų75137.9 Ų137.977%0.77380%0.798SS**  cis123.518044.800000108.9
323P43.1Very low39.1Very low134 Ų134139.6 Ų139.687%0.8780%0.797SS**  cis-121.2-163.9-11.342.6-27.2000112.4
324A36.2Very low39.2Very low96 Ų96137.4 Ų137.479%0.79380%0.795SS**  trans-87.9159.3-175.300000115.4
325V45Very low38.8Very low144 Ų144139.4 Ų139.487%0.87380%0.8SS**  trans-113.8136162.9-1630000108.6
326N34.7Very low38.8Very low130 Ų130140.5 Ų140.570%0.69580%0.802SS**  trans-129.5118.5-168.6-172.71.1000110.4
327L45.4Very low39.2Very low171 Ų171136.8 Ų136.890%0.89579%0.788SS**  trans-120.2108.6174.3-75.8173.2000109.9
328K35.9Very low38.9Very low173 Ų173142.5 Ų142.575%0.75279%0.792SS**  trans-91.6171.2168.1-80.1-178.5172.1178.30110.2
329S37.3Very low39.1Very low114 Ų114139.6 Ų139.680%0.79778%0.784SS**  trans75.4150170.5830000114.2
330E37Very low39Very low190 Ų190146 Ų14689%0.88879%0.787SS**  cis-120.1170.58-76.6-172.3121.600114.4
331K35.3Very low39.1Very low184 Ų184147.5 Ų147.580%0.880%0.797SS**  trans-112.5108.4176.9176.9-161.7174.4-162.80108.5
332S38.1Very low38.9Very low114 Ų114150.8 Ų150.880%0.79780%0.802SS**  trans-127.2141173.758.90000111.2
333E37Very low38.9Very low167 Ų167155 Ų15578%0.7880%0.802SS**  trans-98.6126.8-170-60.7176.9152.100111.6
334S39Very low38.6Very low118 Ų118160.2 Ų160.283%0.82580%0.804SS**  trans-134.298.1166.3640000110.3
335N37Very low38.9Very low151 Ų151163 Ų16381%0.80781%0.806SS**  trans-66.7172.5164.3-86.6-62.6000110.8
336V38.5Very low38.4Very low137 Ų137167.5 Ų167.583%0.8381%0.807SS**  trans7575.3172.6-162.20000115.6
337D39.3Very low38.6Very low98 Ų98166.1 Ų166.152%0.52481%0.808SS.*  -165.191.7103.4-142.1-24.3000111R340D337-R340 IonicContact OD1-NH1 3.62Å; D337-R340 IonicContact OD2-CZ 2.75Å; D337-R340 IonicContact OD2-NH1 3.41Å; D337-R340 PolarHBondContact OD2-NH1 3.49Å
338R38Very low38.2Very low252 Ų252169.4 Ų169.495%0.95181%0.808SS**SBendtrans-135.321.3174.9-92.9-173.6172170.3-1.3112.8
339S40.5Very low38.1Very low97 Ų97164.9 Ų164.968%0.67881%0.811SS**  trans-117.90-164.3-50.40000114.8
340R38.3Very low38.1Very low202 Ų202170.9 Ų170.976%0.76282%0.816SS**SBendtrans-99.1-3.6-171-77.1175.4163.8140.5-6116.2D337D337-R340 IonicContact OD1-NH1 3.62Å; D337-R340 IonicContact OD2-CZ 2.75Å; D337-R340 IonicContact OD2-NH1 3.41Å; D337-R340 PolarHBondContact OD2-NH1 3.49Å
341E44.2Very low38.2Very low189 Ų189169.4 Ų169.488%0.88381%0.814SS**SBendtrans-98.45.2-175.6-63.4-166.1125.800115.3
342R38.8Very low38.3Very low231 Ų231171.4 Ų171.487%0.87282%0.816SS**SBendtrans-124.73.8-173.5-77-173.8170.9177.5-2.4117.6
343E38.5Very low38.3Very low164 Ų164173 Ų17377%0.76682%0.816SS**SBendtrans-112.52.7-176.2-63.7-154.1132.600116.2
344R37.3Very low38.4Very low242 Ų242170.7 Ų170.791%0.91382%0.818SS**THydrogen-bonded Turntrans-84.8-8.6177-81.5-175.4169.7172.1-1.3115.5
345D41.2Very low38.5Very low155 Ų155177.7 Ų177.783%0.82983%0.827SS**THydrogen-bonded Turntrans-92.63.6-174.6-79.4-43.8000115.9
346R36.3Very low38.9Very low239 Ų239172.9 Ų172.990%0.90281%0.813SS**SBendtrans-124.815.7-174.5-69.3-173.7173.9166.2-0.9116.1
347S38.2Very low39.1Very low101 Ų101176.4 Ų176.471%0.70681%0.811SS**SBendtrans-129.732.7-172.9-520000115.9
348R37.4Very low39.4Very low240 Ų240177 Ų17791%0.90682%0.815SS**  trans-131.743.6166.3-77.8-166.7170.2158.1-1.7113.9R350R348-R350 PolarHBondContact O-N 3.02Å
349G33.6Very low39.9Very low78 Ų78168.3 Ų168.380%0.80479%0.792SS**  trans-88.355.7173.100000114
350R36.5Very low40.3Very low239 Ų239168.2 Ų168.290%0.90278%0.784SS**  trans-16666.2173.7-113.1178.1-157.2-170.36.3113.4R348R348-R350 PolarHBondContact O-N 3.02Å
351D40.1Very low40.8Very low159 Ų159167.7 Ų167.785%0.8578%0.783SS**  trans-141.293.8161.7-86.6-50.9000108.7
352R36.1Very low41.1Very low226 Ų226162.3 Ų162.385%0.85376%0.76SS**  trans-93.5160.8170.1-74-174.8171.4168.5-3.6109.8
353D38.3Very low41.7Very low148 Ų148154.7 Ų154.779%0.79174%0.742SS**SBendtrans64.168.6155.3-48.7-31.4000118
354S39.9Very low42.3Very low119 Ų119154.3 Ų154.383%0.83274%0.737SS**  trans-147.80.3151.1-79.30000115.1G356S354-G356 PolarHBondContact O-N 3.19Å
355R41.2Very low43.2Very low264 Ų264144.5 Ų144.5100%0.99671%0.712SS**  trans-81.274-180-66-175.9-178.3178.31.8111.8
356G44.1Very low43.8Very low51 Ų51146 Ų14653%0.52671%0.706SS.*SBendtrans-171.624.6-178.500000118.2S354S354-G356 PolarHBondContact O-N 3.19Å
357R43.5Very low44.8Very low210 Ų210138.1 Ų138.179%0.79268%0.682SS**SBendtrans-137.3-20.7176.8-76.9-171.7171.6173.8-2116.7
358D45.1Very low46Very low112 Ų112135.8 Ų135.860%0.59967%0.665SS**SBendtrans-88.4-16.1-178.5-66.9-48000114.2D360D358-D360 VanDerWaalsContact C-N 3.3Å; D358-D360 PolarHBondContact O-N 2.78Å
359S49.5Very low47.1Very low68 Ų68127.6 Ų127.648%0.47664%0.64SS.*Hα-helixtrans-58.8-42.2169.941.10000112.2R361 S363S359-R361 PolarHBondContact O-N 3.07Å; S359-S363 PolarHBondContact O-N 3.02Å; S359-S363 PolarHBondContact O-OG 2.99Å
360D48.2Very low48.6Very low96 Ų96130.7 Ų130.751%0.51363%0.627SS.*Hα-helixtrans-81.2-23.5-162.9-54.50000111.8D358 K364D358-D360 VanDerWaalsContact C-N 3.3Å; D358-D360 PolarHBondContact O-N 2.78Å; D360-K364 WeakPolarHBondContact O-CG 3.39Å; D360-K364 PolarHBondContact O-N 3.46Å
361R48.9Very low50.2Low191 Ų191124.7 Ų124.772%0.72161%0.609SS**Hα-helixtrans-72.9-42176.5-74.6179.1162.8179.4-6.7112S359 G365S359-R361 PolarHBondContact O-N 3.07Å; R361-G365 PolarHBondContact O-N 3.01Å
362D51.4Low51.6Low76 Ų76124.3 Ų124.341%0.40660%0.596SS.*Hα-helixtrans-72.1-34.4177.1-71.8-82.4000112.7R97 G365 R366R97-D362 VanDerWaalsContact CZ-CG 3.44Å; R97-D362 IonicContact CZ-OD1 3.88Å; R97-D362 IonicContact CZ-OD2 2.78Å; R97-D362 IonicContact NH1-OD1 2.75Å; R97-D362 PolarHBondContact NH1-OD1 3.47Å; R97-D362 IonicContact NH1-OD2 3.83Å; R97-D362 PolarHBondContact NH1-OD2 3.33Å; R97-D362 VanDerWaalsContact NH2-CG 3.28Å; R97-D362 IonicContact NH2-OD1 2.94Å; R97-D362 IonicContact NH2-OD2 3.79Å; R97-D362 PolarHBondContact NH2-OD2 2.97Å; D362-G365 PolarHBondContact O-N 3.31Å; D362-R366 PolarHBondContact O-N 3.23Å
363S51.2Low53.2Low70 Ų70119.3 Ų119.349%0.4958%0.582SS.*Hα-helixtrans-59.9-49.6171.7-65.10000111.2S359 G365 R366 D367S359-S363 PolarHBondContact O-N 3.02Å; S359-S363 PolarHBondContact O-OG 2.99Å; S363-G365 VanDerWaalsContact C-N 3.3Å; S363-G365 PolarHBondContact O-N 2.75Å; S363-R366 WeakPolarHBondContact O-CB 3.45Å; S363-R366 PolarHBondContact O-N 3.23Å; S363-D367 PolarHBondContact O-N 3.38Å; S363-D367 VanDerWaalsContact O-N 3.12Å
364K51.3Low54.9Low156 Ų156121 Ų12168%0.67858%0.578SS**Hα-helixtrans-58.5-40173.6-74.8-176.9176.7-173.30112.7D360 R366 D367 S368D360-K364 WeakPolarHBondContact O-CG 3.39Å; D360-K364 PolarHBondContact O-N 3.46Å; K364-R366 VanDerWaalsContact C-N 3.28Å; K364-R366 PolarHBondContact O-N 3.35Å; K364-D367 PolarHBondContact O-N 3.27Å; K364-S368 PolarHBondContact O-N 3.02Å; K364-S368 PolarHBondContact O-OG 3.37Å
365G54.6Low56.7Low37 Ų37120.3 Ų120.338%0.38157%0.565SS.*Hα-helixtrans-60.4-36173.800000113.5R361 D362 S363 D369R361-G365 PolarHBondContact O-N 3.01Å; D362-G365 PolarHBondContact O-N 3.31Å; S363-G365 VanDerWaalsContact C-N 3.3Å; S363-G365 PolarHBondContact O-N 2.75Å; G365-D369 PolarHBondContact O-N 3.45Å
366R54.6Low58.3Low185 Ų185114.8 Ų114.870%0.69854%0.544SS*.Hα-helixtrans-72-32.7178.4-155.8176.6-166.1-178.33.1112.7D362 S363 K364 R370D362-R366 PolarHBondContact O-N 3.23Å; S363-R366 WeakPolarHBondContact O-CB 3.45Å; S363-R366 PolarHBondContact O-N 3.23Å; K364-R366 VanDerWaalsContact C-N 3.28Å; K364-R366 PolarHBondContact O-N 3.35Å; R366-R370 WeakPolarHBondContact O-CD 3.43Å; R366-R370 WeakPolarHBondContact O-CG 3.35Å; R366-R370 PolarHBondContact O-N 3.34Å
367D58.1Low59.7Low75 Ų75118.3 Ų118.340%0.40155%0.547SS..Hα-helixtrans-80.2-36.8175.2-66.2-38.8000112.1S363 K364 D369 R370 E371S363-D367 PolarHBondContact O-N 3.38Å; S363-D367 VanDerWaalsContact O-N 3.12Å; K364-D367 PolarHBondContact O-N 3.27Å; D367-D369 PolarHBondContact O-N 3.46Å; D367-R370 CarbonylContact O-C 3.56Å; D367-R370 WeakPolarHBondContact O-CA 3.4Å; D367-R370 WeakPolarHBondContact O-CB 3.39Å; D367-R370 PolarHBondContact O-N 2.91Å; D367-R370 IonicContact OD1-CZ 3.13Å; D367-R370 IonicContact OD1-NH1 3.87Å; D367-R370 PolarHBondContact OD1-NH1 3.07Å; D367-E371 WeakPolarHBondContact O-CG 3.24Å; D367-E371 PolarHBondContact O-N 3.29Å
368S62.1Low61.3Low51 Ų51110.5 Ų110.536%0.35753%0.526SS..Hα-helixtrans-67.2-31.8171.3-64.50000113.9K364 R370 R372K364-S368 PolarHBondContact O-N 3.02Å; K364-S368 PolarHBondContact O-OG 3.37Å; S368-R370 VanDerWaalsContact C-N 3.31Å; S368-R372 WeakPolarHBondContact O-CB 3.45Å; S368-R372 WeakPolarHBondContact O-CD 3.46Å; S368-R372 VanDerWaalsContact O-CG 3.24Å; S368-R372 WeakPolarHBondContact O-CG 3.34Å; S368-R372 PolarHBondContact O-N 3.12Å; S368-R372 VanDerWaalsContact O-N 3.12Å
369D60.9Low62.9Low68 Ų68108.8 Ų108.836%0.36452%0.518SS..Hα-helixtrans-66-33.3169.6-94.4-2000110.8K131 G365 D367 E373K131-D369 IonicContact NZ-OD2 3.09Å; K131-D369 PolarHBondContact NZ-OD2 3.26Å; G365-D369 PolarHBondContact O-N 3.45Å; D367-D369 PolarHBondContact O-N 3.46Å; D369-E373 PolarHBondContact O-N 3.12Å
370R66Low64.2Low143 Ų143113 Ų11354%0.5452%0.523SS..Hα-helixtrans-72-42.6174.3-73.5162.3159.8171.5-8.9113.4R366 D367 S368 R372 E373 R374R366-R370 WeakPolarHBondContact O-CD 3.43Å; R366-R370 WeakPolarHBondContact O-CG 3.35Å; R366-R370 PolarHBondContact O-N 3.34Å; D367-R370 CarbonylContact O-C 3.56Å; D367-R370 WeakPolarHBondContact O-CA 3.4Å; D367-R370 WeakPolarHBondContact O-CB 3.39Å; D367-R370 PolarHBondContact O-N 2.91Å; D367-R370 IonicContact OD1-CZ 3.13Å; D367-R370 IonicContact OD1-NH1 3.87Å; D367-R370 PolarHBondContact OD1-NH1 3.07Å; S368-R370 VanDerWaalsContact C-N 3.31Å; R370-R372 VanDerWaalsContact C-N 3.31Å; R370-R372 PolarHBondContact O-N 3.49Å; R370-E373 PolarHBondContact O-N 2.88Å; R370-E373 VanDerWaalsContact O-N 3.15Å; R370-R374 PolarHBondContact O-N 2.86Å
371E68.4Low65.5Low113 Ų113111.9 Ų111.953%0.52852%0.517SS..Hα-helixtrans-58.7-46.1174.9-71.8172.7148.200110.1D367 E373 R374 D375D367-E371 WeakPolarHBondContact O-CG 3.24Å; D367-E371 PolarHBondContact O-N 3.29Å; E371-E373 VanDerWaalsContact C-N 3.25Å; E371-E373 PolarHBondContact O-N 3.08Å; E371-R374 WeakPolarHBondContact O-CB 3.47Å; E371-R374 PolarHBondContact O-N 3.24Å; E371-R374 VanDerWaalsContact O-N 3.08Å; E371-D375 PolarHBondContact O-N 3.15Å
372R70.8Confident66.7Low151 Ų151110.2 Ų110.257%0.5751%0.511SS*.Hα-helixtrans-64.5-21174.9-73.2170168.4-176.7-4.6114.9S368 R370 R376S368-R372 WeakPolarHBondContact O-CB 3.45Å; S368-R372 WeakPolarHBondContact O-CD 3.46Å; S368-R372 VanDerWaalsContact O-CG 3.24Å; S368-R372 WeakPolarHBondContact O-CG 3.34Å; S368-R372 PolarHBondContact O-N 3.12Å; S368-R372 VanDerWaalsContact O-N 3.12Å; R370-R372 VanDerWaalsContact C-N 3.31Å; R370-R372 PolarHBondContact O-N 3.49Å; R372-R376 WeakPolarHBondContact O-CD 3.19Å; R372-R376 WeakPolarHBondContact O-CG 3.18Å; R372-R376 PolarHBondContact O-NH1 3.11Å
373E69.5Low67.7Low121 Ų121113.3 Ų113.357%0.56552%0.523SS*.Hα-helixtrans-80.5-42.1169.1-74.4-168.6141.700111.2D369 R370 E371 D375 R376 E377D369-E373 PolarHBondContact O-N 3.12Å; R370-E373 PolarHBondContact O-N 2.88Å; R370-E373 VanDerWaalsContact O-N 3.15Å; E371-E373 VanDerWaalsContact C-N 3.25Å; E371-E373 PolarHBondContact O-N 3.08Å; E373-D375 PolarHBondContact O-N 3.01Å; E373-R376 PolarHBondContact O-N 3.21Å; E373-E377 PolarHBondContact O-N 3.23Å
374R74Confident68.6Low185 Ų185118.3 Ų118.370%0.69853%0.531SS*.Hα-helixtrans-59.4-44.1174-72.5178.4172.8176.8-2.4113R370 E371 R376 E377 A378R370-R374 PolarHBondContact O-N 2.86Å; E371-R374 WeakPolarHBondContact O-CB 3.47Å; E371-R374 PolarHBondContact O-N 3.24Å; E371-R374 VanDerWaalsContact O-N 3.08Å; R374-R376 VanDerWaalsContact C-N 3.3Å; R374-R376 PolarHBondContact O-N 3.24Å; R374-E377 PolarHBondContact O-N 3.41Å; R374-A378 WeakPolarHBondContact O-CB 3.21Å; R374-A378 PolarHBondContact O-N 3.46Å
375D76.5Confident69.2Low104 Ų104119.9 Ų119.956%0.55653%0.532SS*.Hα-helixtrans-61.2-40.3177.6-70.1-28.3000111.5E371 E373 E377 A378 D379E371-D375 PolarHBondContact O-N 3.15Å; E373-D375 PolarHBondContact O-N 3.01Å; D375-E377 PolarHBondContact O-N 3.02Å; D375-A378 PolarHBondContact O-N 3.42Å; D375-D379 PolarHBondContact O-N 2.95Å
376R74.8Confident69.4Low147 Ų147124 Ų12456%0.55554%0.542SS*.Hα-helixtrans-69-30.7177-71.6170.9-177.4139.8-6.3112.9R372 E373 R374 R380R372-R376 WeakPolarHBondContact O-CD 3.19Å; R372-R376 WeakPolarHBondContact O-CG 3.18Å; R372-R376 PolarHBondContact O-NH1 3.11Å; E373-R376 PolarHBondContact O-N 3.21Å; R374-R376 VanDerWaalsContact C-N 3.3Å; R374-R376 PolarHBondContact O-N 3.24Å; R376-R380 WeakPolarHBondContact O-CD 3.31Å; R376-R380 WeakPolarHBondContact O-CG 3.48Å; R376-R380 PolarHBondContact O-N 2.94Å
377E74.9Confident69.6Low126 Ų126122.2 Ų122.259%0.58954%0.541SS*.Hα-helixtrans-73.7-42.3171.4-69.2-169.3139.100111.3E373 R374 D375 D379 R380 D381E373-E377 PolarHBondContact O-N 3.23Å; R374-E377 PolarHBondContact O-N 3.41Å; D375-E377 PolarHBondContact O-N 3.02Å; E377-D379 PolarHBondContact O-N 2.92Å; E377-R380 PolarHBondContact O-N 3.34Å; E377-D381 PolarHBondContact O-N 3.5Å
378A77.6Confident69.5Low45 Ų45122.2 Ų122.237%0.37255%0.547SS..Hα-helixtrans-59.9-42.3175.700000112.6R374 D375 D381 R382R374-A378 WeakPolarHBondContact O-CB 3.21Å; R374-A378 PolarHBondContact O-N 3.46Å; D375-A378 PolarHBondContact O-N 3.42Å; A378-D381 PolarHBondContact O-N 2.86Å; A378-R382 VanDerWaalsContact O-CG 3.31Å; A378-R382 WeakPolarHBondContact O-CG 3.36Å; A378-R382 PolarHBondContact O-N 3.2Å
379D77.8Confident69.2Low77 Ų77127.2 Ų127.241%0.41256%0.562SS.*Hα-helixtrans-70.9-33.5175.8-84.1-12.3000113.3D375 E377 R382 Q383D375-D379 PolarHBondContact O-N 2.95Å; E377-D379 PolarHBondContact O-N 2.92Å; D379-R382 PolarHBondContact O-N 2.71Å; D379-R382 VanDerWaalsContact OD1-CD 3.28Å; D379-R382 WeakPolarHBondContact OD1-CD 3.28Å; D379-R382 IonicContact OD1-CZ 3.68Å; D379-R382 IonicContact OD1-NE 3.91Å; D379-R382 IonicContact OD1-NH1 2.71Å; D379-R382 PolarHBondContact OD1-NH1 3.41Å; D379-Q383 WeakPolarHBondContact O-CB 3.28Å; D379-Q383 VanDerWaalsContact O-CG 3.31Å; D379-Q383 WeakPolarHBondContact O-CG 3.44Å; D379-Q383 PolarHBondContact O-N 2.91Å
380R76.2Confident68.8Low155 Ų155129.4 Ų129.459%0.58557%0.574SS**Hα-helixtrans-63.5-41.9171.1-78.2168.5175.1173.1-0.7112R376 E377 Q383 R384R376-R380 WeakPolarHBondContact O-CD 3.31Å; R376-R380 WeakPolarHBondContact O-CG 3.48Å; R376-R380 PolarHBondContact O-N 2.94Å; E377-R380 PolarHBondContact O-N 3.34Å; R380-Q383 PolarHBondContact O-N 3.39Å; R380-R384 WeakPolarHBondContact O-CG 3.31Å; R380-R384 PolarHBondContact O-N 2.95Å
381D75.1Confident68Low73 Ų73131.7 Ų131.739%0.3958%0.583SS.*Hα-helixtrans-75.3-28.6177.8-85.9-0.8000112.7E377 A378 R384 R385E377-D381 PolarHBondContact O-N 3.5Å; A378-D381 PolarHBondContact O-N 2.86Å; D381-R384 VanDerWaalsContact OD1-CD 3.28Å; D381-R384 WeakPolarHBondContact OD1-CD 3.35Å; D381-R384 IonicContact OD1-CZ 2.71Å; D381-R384 IonicContact OD1-NH1 2.66Å; D381-R384 PolarHBondContact OD1-NH1 3.34Å; D381-R385 WeakPolarHBondContact O-CB 3.25Å; D381-R385 VanDerWaalsContact O-CG 3.25Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 2.88Å
382R74.7Confident67Low157 Ų157131 Ų13159%0.59259%0.59SS**Hα-helixtrans-60.9-50.7164.8-76165.7174.7162.4-1111.1A378 D379 R384 R385 H386A378-R382 VanDerWaalsContact O-CG 3.31Å; A378-R382 WeakPolarHBondContact O-CG 3.36Å; A378-R382 PolarHBondContact O-N 3.2Å; D379-R382 PolarHBondContact O-N 2.71Å; D379-R382 VanDerWaalsContact OD1-CD 3.28Å; D379-R382 WeakPolarHBondContact OD1-CD 3.28Å; D379-R382 IonicContact OD1-CZ 3.68Å; D379-R382 IonicContact OD1-NE 3.91Å; D379-R382 IonicContact OD1-NH1 2.71Å; D379-R382 PolarHBondContact OD1-NH1 3.41Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.1Å; R382-R385 PolarHBondContact O-N 3.42Å; R382-R385 VanDerWaalsContact O-N 3.1Å; R382-H386 PolarHBondContact O-CD2 2.95Å; R382-H386 PolarHBondContact O-N 3.38Å
383Q72.8Confident65.8Low140 Ų140129.1 Ų129.165%0.65460%0.6SS**Hα-helixtrans-58.3-42.6177.8-74.3174.10.800111.9D379 R380 H386 H387D379-Q383 WeakPolarHBondContact O-CB 3.28Å; D379-Q383 VanDerWaalsContact O-CG 3.31Å; D379-Q383 WeakPolarHBondContact O-CG 3.44Å; D379-Q383 PolarHBondContact O-N 2.91Å; R380-Q383 PolarHBondContact O-N 3.39Å; Q383-H386 PolarHBondContact O-N 3.36Å; Q383-H387 PolarHBondContact O-N 2.83Å
384R69.7Low64.3Low176 Ų176126.7 Ų126.766%0.66461%0.608SS**Hα-helixtrans-60.2-44.5172.7-75.9164.9161.1-177.7-7.2112.8R380 D381 R382 H387 S388R380-R384 WeakPolarHBondContact O-CG 3.31Å; R380-R384 PolarHBondContact O-N 2.95Å; D381-R384 VanDerWaalsContact OD1-CD 3.28Å; D381-R384 WeakPolarHBondContact OD1-CD 3.35Å; D381-R384 IonicContact OD1-CZ 2.71Å; D381-R384 IonicContact OD1-NH1 2.66Å; D381-R384 PolarHBondContact OD1-NH1 3.34Å; R382-R384 VanDerWaalsContact C-N 3.32Å; R382-R384 PolarHBondContact O-N 3.1Å; R384-H387 PolarHBondContact O-N 3.08Å; R384-S388 PolarHBondContact O-N 2.96Å; R384-S388 PolarHBondContact O-OG 3.02Å
385R63.8Low62.8Low188 Ų188129 Ų12971%0.70962%0.618SS**Hα-helixtrans-65.7-36.4178.8-75.5174.8-176.2-151.31.9112.8D381 R382 S388 K389D381-R385 WeakPolarHBondContact O-CB 3.25Å; D381-R385 VanDerWaalsContact O-CG 3.25Å; D381-R385 WeakPolarHBondContact O-CG 3.42Å; D381-R385 PolarHBondContact O-N 2.88Å; R382-R385 PolarHBondContact O-N 3.42Å; R382-R385 VanDerWaalsContact O-N 3.1Å; R385-S388 WeakPolarHBondContact CA-OG 3.43Å; R385-S388 PolarHBondContact O-OG 2.82Å; R385-K389 PolarHBondContact O-N 3.41Å
386H60Low60.9Low125 Ų125129 Ų12958%0.57963%0.626SS**Hα-helixtrans-62.9-53.1170.4-85-88.1000111.1R382 Q383 S388 K389 D390R382-H386 PolarHBondContact O-CD2 2.95Å; R382-H386 PolarHBondContact O-N 3.38Å; Q383-H386 PolarHBondContact O-N 3.36Å; H386-S388 PolarHBondContact O-N 3.39Å; H386-S388 VanDerWaalsContact O-N 3.08Å; H386-K389 WeakPolarHBondContact O-CA 3.42Å; H386-K389 WeakPolarHBondContact O-CB 3.46Å; H386-K389 PolarHBondContact O-N 2.98Å; H386-D390 PolarHBondContact O-N 3.06Å
387H57.7Low59.5Low146 Ų146127.7 Ų127.768%0.67663%0.63SS**Hα-helixtrans-64.4-18.7-178.9-153.162.1000114.3Q383 R384 R391Q383-H387 PolarHBondContact O-N 2.83Å; R384-H387 PolarHBondContact O-N 3.08Å; H387-R391 PolarHBondContact NE2-NH2 3.27Å; H387-R391 VanDerWaalsContact NE2-NH2 3.11Å; H387-R391 WeakPolarHBondContact O-CG 3.47Å
388S57.3Low57.9Low75 Ų75129.1 Ų129.152%0.52464%0.635SS.*Hα-helixtrans-81.6-29.1167.863.20000114.3R384 R385 H386R384-S388 PolarHBondContact O-N 2.96Å; R384-S388 PolarHBondContact O-OG 3.02Å; R385-S388 WeakPolarHBondContact CA-OG 3.43Å; R385-S388 PolarHBondContact O-OG 2.82Å; H386-S388 PolarHBondContact O-N 3.39Å; H386-S388 VanDerWaalsContact O-N 3.08Å
389K53.8Low56.2Low156 Ų156133.7 Ų133.768%0.67865%0.648SS**Hα-helixtrans-76-41.2178.5-113.7-173.3174.6-173.10111.9R385 H386 R391 S392R385-K389 PolarHBondContact O-N 3.41Å; H386-K389 WeakPolarHBondContact O-CA 3.42Å; H386-K389 WeakPolarHBondContact O-CB 3.46Å; H386-K389 PolarHBondContact O-N 2.98Å; K389-R391 PolarHBondContact O-N 3.03Å; K389-S392 PolarHBondContact O-N 3.19Å; K389-S392 PolarHBondContact O-OG 3.17Å
390D53.1Low54.5Low115 Ų115137.8 Ų137.862%0.61566%0.662SS**G310 helixtrans-65.7-20179.9-56.5-34000111.9H386H386-D390 PolarHBondContact O-N 3.06Å
391R49.3Very low52.8Low191 Ų191134.6 Ų134.672%0.72166%0.664SS**G310 helixtrans-85-3.5174.3-70-177.4179.9-141.5-5115.1H387 K389H387-R391 PolarHBondContact NE2-NH2 3.27Å; H387-R391 VanDerWaalsContact NE2-NH2 3.11Å; H387-R391 WeakPolarHBondContact O-CG 3.47Å; K389-R391 PolarHBondContact O-N 3.03Å
392S48.4Very low51.1Low99 Ų99141.5 Ų141.569%0.69268%0.684SS**G310 helixtrans-112.613.6178.481.20000114K389K389-S392 PolarHBondContact O-N 3.19Å; K389-S392 PolarHBondContact O-OG 3.17Å
393S43.9Very low49.6Very low110 Ų110142.2 Ų142.277%0.76969%0.694SS**  trans-112.372.5178.3-162.80000110.1
394G38.5Very low47.9Very low71 Ų71146.8 Ų146.873%0.73271%0.705SS**  trans-169.431.8-165.200000117.4
395Y42.6Very low46.4Very low233 Ų233143.2 Ų143.291%0.91471%0.707SS**  trans-150.3135.2160.8-140.1-96.7000111.4
396S37.7Very low45.4Very low104 Ų104139 Ų13973%0.72771%0.707SS**  trans-142.8123.6-179.358.30000109.6
397D44.2Very low44.6Very low120 Ų120143.7 Ų143.764%0.64272%0.719SS**  trans-153.9161.1142.4-130.6-11.1000115.8
398K42.7Very low44.1Very low156 Ų156141.8 Ų141.868%0.67871%0.714SS**  trans-9.6150.5158.5-67.1162.1-157.290.30117.7
399E41.9Very low43.7Very low141 Ų141149 Ų14966%0.65973%0.73SS**  cis-160.7-17816.3-131.6179.7172.400115.7
400K40.9Very low43.3Very low163 Ų163144.5 Ų144.571%0.70973%0.728SS**  trans-15.2159.8162.4-66.1153.2-174.51590120.2
401S40.2Very low43.1Very low87 Ų87145.4 Ų145.461%0.60873%0.733SS**  cis177.2143.9-20.963.90000112.1
402R39.5Very low43.2Very low218 Ų218143.6 Ų143.682%0.82373%0.732SS**  trans63.3148.9163.1-47.9166.6178.9177.7-0.9115.5
403H43.3Very low43.2Very low173 Ų173148.1 Ų148.180%0.80174%0.736SS**  cis-150.6-17426.4-99.9-70.5000112.3
404R36.6Very low43.2Very low235 Ų235146.8 Ų146.889%0.88773%0.727SS**  trans-85.7171.3169.2-48.6174.5174.6175.5-4109.5
405S40.2Very low43.4Very low101 Ų101148.6 Ų148.671%0.70673%0.728SS**  cis-175.7155.82947.40000114.5
406S41.9Very low43.2Very low100 Ų100146.7 Ų146.770%0.69973%0.727SS**  trans72.2148.3143.273.50000123.3
407R43.1Very low43.4Very low224 Ų224147.7 Ų147.785%0.84573%0.734SS**  trans72.9147.3163.4-68.1-172.6167.8137-2.3117.5
408D47.8Very low43.1Very low106 Ų106146.7 Ų146.757%0.56774%0.736SS**  cis-157.5156.7-9.1-126.3-49.7000112.1
409R48.1Very low43.1Very low225 Ų225149.9 Ų149.985%0.84974%0.744SS**  trans53.5158.5151.3-73.7153.4-169.4-128.4-5124.5
410G45.3Very low43.2Very low63 Ų63148.3 Ų148.365%0.64974%0.74SS**  trans109.684.7173.900000112.7
411D49.1Very low43.6Very low134 Ų134148.6 Ų148.672%0.71774%0.741SS**  58.8125.969.2-58-56.9000112.5
412H51.1Low44Very low152 Ų152149.9 Ų149.970%0.70474%0.742SS**  cis-162.1172.39.6-128.457.4000106.8
413Y48.5Very low44.4Very low194 Ų194148.2 Ų148.276%0.76174%0.735SS**  cis-161.7-162.710.4-166.6-143000111.7
414S44.2Very low44.9Very low83 Ų83147.4 Ų147.458%0.5873%0.732SS**  trans-52.4167.8172.7-83.20000119.5
415S42.3Very low45.8Very low109 Ų109146 Ų14676%0.76273%0.726SS**  cis-165.4162.1-6.844.10000113.3
416H37.8Very low46.7Very low193 Ų193152.6 Ų152.689%0.89474%0.736SS**  trans-82.4150.4159.7-69.9-43.9000112
417S42.1Very low47.1Very low124 Ų124159.6 Ų159.687%0.86776%0.757SS**  -164.3159.6129.8-164.40000111.4
418S38.6Very low47.3Very low100 Ų100156.4 Ų156.470%0.69975%0.753SS**  trans-111149.4171.1600000110
419R42.1Very low47.3Very low223 Ų223159 Ų15984%0.84276%0.763SS**  167.7149125.5-97.2-175.4152.8142.30.5115.6
420D45.4Very low47.2Very low107 Ų107155.3 Ų155.357%0.57276%0.758SS**  trans55122141.5-74.9-83.6000123.7
421K47.6Very low47.3Very low169 Ų169160.8 Ų160.874%0.73576%0.764SS**  92.3139.7125.8-76.6171.4-173.9167.20123.5
422D49Very low47.2Very low115 Ų115162.4 Ų162.462%0.61577%0.767SS**  trans63.6144.2150.5-66-45.5000117.5
423R48.5Very low47Very low182 Ų182163.1 Ų163.169%0.68777%0.771SS**  cis-165151.3-5.9-122166.4-146.9-15912112.3
424H53.4Low46.8Very low157 Ų157160.9 Ų160.973%0.72777%0.772SS**  trans63.8158.3150.4-64-34.4000119.7
425R54.9Low47Very low204 Ų204166.9 Ų166.977%0.7779%0.787SS**  cis-172.4136.7-25.9172.9179.6-176.6-175.93.6109.4
426R58.9Low47.4Very low240 Ų240171.8 Ų171.891%0.90679%0.789SS**  trans153.1139.9148.8-88.3167.6-167.3-126.15.1107.8
427Q51Low48.3Very low247 Ų247169.8 Ų169.8100%1.15478%0.779SS**  cis-770-5.5-72.1172-28.200111.1

Retrieved 427 of 427 residues in 1049.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).