A0A5N4CEN8_CAMDR Loading...

E3 ubiquitin-protein ligase ARIH1

AlphaFold DB , UniProt , Accession A0A5N4CEN8, Species CAMDR (Camelus dromedarius, Dromedary), Gene n/a, Length 198 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M76.3Confident85.4Confident89 Ų89107.2 Ų107.244%0.43854%0.543SS..  0146.20-93.9-62.7-104.800109E11 F12 W14M1-E11 CarbonylContact O-C 3.58Å; M1-E11 VanDerWaalsContact O-CA 3.29Å; M1-E11 WeakPolarHBondContact O-CA 3.35Å; M1-F12 WeakPolarHBondContact CA-O 3.25Å; M1-F12 WeakPolarHBondContact CB-O 3.22Å; M1-F12 PolarHBondContact N-O 3.39Å; M1-F12 PolarHBondContact O-N 3.03Å; M1-F12 VanDerWaalsContact O-O 3.11Å; M1-W14 HydrophobicContact CB-CB 4.31Å; M1-W14 HydrophobicContact CG-CB 4.04Å
2V81.1Confident85.4Confident72 Ų72103.6 Ų103.644%0.43652%0.521SS..BIsolated β-bridgetrans-112.9130.6-179.1-170.80000109.6R4 A10 E11V2-R4 PolarHBondContact O-N 3.33Å; V2-A10 WeakPolarHBondContact CA-O 3.36Å; V2-E11 HydrophobicContact CG2-CG 4.04Å
3C83.1Confident85.2Confident38 Ų3895.8 Ų95.826%0.25748%0.482SS..  trans-61.7124.6175.4-174.10000110.7N5 C8 A10 F12C3-N5 VanDerWaalsContact C-N 3.27Å; C3-N5 PolarHBondContact O-N 2.84Å; C3-C8 HydrophobicContact CB-CB 4.05Å; C3-C8 VanDerWaalsContact SG-SG 3.62Å; C3-A10 PolarHBondContact N-O 3.15Å; C3-F12 HydrophobicContact CB-CE1 4.07Å
4R82Confident84.6Confident184 Ų18491.7 Ų91.769%0.69446%0.458SS*.  trans-77.6-7.4-179.7-60.2-170-171.6-166.75.8113.8V2 Q6 E151V2-R4 PolarHBondContact O-N 3.33Å; R4-Q6 PolarHBondContact O-N 2.74Å; R4-E151 IonicContact NH2-OE2 2.81Å; R4-E151 PolarHBondContact NH2-OE2 3.08Å
5N85.3Confident84.1Confident94 Ų9486.1 Ų86.150%0.50343%0.43SS..SBendtrans-65.4123.1172.7-178.5-23.5000109.2C3 N7 C8 K9C3-N5 VanDerWaalsContact C-N 3.27Å; C3-N5 PolarHBondContact O-N 2.84Å; N5-N7 PolarHBondContact O-N 2.94Å; N5-N7 PolarHBondContact OD1-N 3.27Å; N5-C8 HydrophobicContact CB-CB 3.97Å; N5-C8 PolarHBondContact O-N 3.31Å; N5-K9 PolarHBondContact O-N 3.14Å
6Q88.3Confident83.9Confident167 Ų16783.3 Ų83.378%0.7842%0.421SS*.THydrogen-bonded Turntrans-55.9-27.4-175.9-64.8-177.3-1.300113.3R4 K9R4-Q6 PolarHBondContact O-N 2.74Å; Q6-K9 WeakPolarHBondContact O-CE 3.38Å
7N93.9Very high83.8Confident157 Ų15785.9 Ų85.984%0.8444%0.436SS*.THydrogen-bonded Turntrans-94.4-4.4-179.8-63.4-25.2000114.1N5N5-N7 PolarHBondContact O-N 2.94Å; N5-N7 PolarHBondContact OD1-N 3.27Å
8C90.4Very high83.8Confident64 Ų6482 Ų8243%0.43242%0.42SS..THydrogen-bonded Turntrans-106.3-61-176.3-179.10000111.7C3 N5 A10C3-C8 HydrophobicContact CB-CB 4.05Å; C3-C8 VanDerWaalsContact SG-SG 3.62Å; N5-C8 HydrophobicContact CB-CB 3.97Å; N5-C8 PolarHBondContact O-N 3.31Å; C8-A10 PolarHBondContact O-N 3.31Å; C8-A10 VanDerWaalsContact SG-CB 3.59Å
9K85.6Confident83.9Confident151 Ų15181.9 Ų81.966%0.65743%0.426SS*.  trans49.814.5-177.5-54.9-177.1-177179.20115.5N5 Q6N5-K9 PolarHBondContact O-N 3.14Å; Q6-K9 WeakPolarHBondContact O-CE 3.38Å
10A88.7Confident83.9Confident47 Ų4782.6 Ų82.639%0.38842%0.423SS..  trans-67.3139.7-17800000110.8V2 C3 C8V2-A10 WeakPolarHBondContact CA-O 3.36Å; C3-A10 PolarHBondContact N-O 3.15Å; C8-A10 PolarHBondContact O-N 3.31Å; C8-A10 VanDerWaalsContact SG-CB 3.59Å
11E84.6Confident83.9Confident116 Ų11687.3 Ų87.354%0.54244%0.443SS..BIsolated β-bridgetrans-96.1120.8172.7-50.7-162.1138.900110M1 V2 W20M1-E11 CarbonylContact O-C 3.58Å; M1-E11 VanDerWaalsContact O-CA 3.29Å; M1-E11 WeakPolarHBondContact O-CA 3.35Å; V2-E11 HydrophobicContact CG2-CG 4.04Å; E11-W20 HydrophobicContact CB-CB 3.67Å; E11-W20 HydrophobicContact CB-CG 4.29Å; E11-W20 PolarHBondContact O-N 2.93Å; E11-W20 VanDerWaalsContact O-N 3.14Å
12F85.8Confident84.2Confident64 Ų6484 Ų8428%0.28143%0.428SS..BIsolated β-bridgetrans-138.5157.318063.6-84.6000111.2M1 C3 L17 G18M1-F12 WeakPolarHBondContact CA-O 3.25Å; M1-F12 WeakPolarHBondContact CB-O 3.22Å; M1-F12 PolarHBondContact N-O 3.39Å; M1-F12 PolarHBondContact O-N 3.03Å; M1-F12 VanDerWaalsContact O-O 3.11Å; C3-F12 HydrophobicContact CB-CE1 4.07Å; F12-L17 HydrophobicContact CD2-CD2 3.94Å; F12-L17 HydrophobicContact CE2-CD2 3.87Å; F12-G18 CarbonylContact C-O 3.55Å; F12-G18 VanDerWaalsContact CA-O 3.22Å; F12-G18 WeakPolarHBondContact CA-O 3.42Å; F12-G18 WeakPolarHBondContact CB-O 3.31Å
13C83.1Confident83.8Confident3 Ų382 Ų822%0.0241%0.414CS..  trans-78121.6169.4177.90000109.4V15 C16 L17 G18 W20 H23C13-V15 PolarHBondContact O-N 3.31Å; C13-V15 PolarHBondContact SG-N 3.12Å; C13-C16 VanDerWaalsContact CB-SG 3.58Å; C13-L17 WeakPolarHBondContact O-CA 3.14Å; C13-L17 PolarHBondContact O-N 3.43Å; C13-G18 PolarHBondContact N-O 3.29Å; C13-W20 HydrophobicContact CB-CE3 4.09Å; C13-W20 HydrophobicContact CB-CZ3 4.37Å; C13-H23 WeakPolarHBondContact CB-CE1 3.31Å; C13-H23 WeakPolarHBondContact CB-NE2 3.45Å; C13-H23 VanDerWaalsContact SG-CD2 3.59Å; C13-H23 PolarHBondContact SG-NE2 3.35Å
14W76.9Confident83Confident38 Ų3884.3 Ų84.314%0.14444%0.444CS..THydrogen-bonded Turntrans-67-21.6-17982.2-81.2000112.2M1 N64 H65 S68 E140 E144M1-W14 HydrophobicContact CB-CB 4.31Å; M1-W14 HydrophobicContact CG-CB 4.04Å; W14-N64 HydrophobicContact CH2-CB 4.41Å; W14-N64 HydrophobicContact CZ3-CB 3.93Å; W14-H65 AromaticContact CH2-CE1 3.53Å; W14-H65 AromaticContact CH2-ND1 3.72Å; W14-H65 AromaticContact CZ2-CE1 3.66Å; W14-S68 VanDerWaalsContact CZ3-OG 3.31Å; W14-S68 WeakPolarHBondContact CZ3-OG 3.32Å; W14-E140 HydrophobicContact CZ2-CG 4.46Å; W14-E144 VanDerWaalsContact CZ2-CD 3.4Å; W14-E144 HydrophobicContact CZ2-CG 4.26Å; W14-E144 WeakPolarHBondContact CZ2-OE1 3.42Å; W14-E144 PolarHBondContact NE1-OE1 3.47Å; W14-E144 PolarHBondContact NE1-OE2 3.3Å
15V76.9Confident82.6Confident7 Ų777.4 Ų77.44%0.04242%0.424CS..THydrogen-bonded Turntrans-74.5-52.1-179.4-171.50000111.3C13 R61 N64 E140C13-V15 PolarHBondContact O-N 3.31Å; C13-V15 PolarHBondContact SG-N 3.12Å; V15-R61 HydrophobicContact CG1-CG 3.98Å; V15-N64 PolarHBondContact O-ND2 3.3Å; V15-E140 HydrophobicContact CG2-CG 4.47Å; V15-E140 VanDerWaalsContact CG2-OE1 3.3Å; V15-E140 WeakPolarHBondContact CG2-OE1 3.31Å
16C80.1Confident81.7Confident42 Ų4278.6 Ų78.628%0.28445%0.447SS..THydrogen-bonded Turntrans-106.3-5-173.970.30000113.8C13 G18 H23 C30C13-C16 VanDerWaalsContact CB-SG 3.58Å; C16-G18 PolarHBondContact O-N 2.95Å; C16-G18 VanDerWaalsContact O-N 3.08Å; C16-G18 PolarHBondContact SG-N 3.11Å; C16-G18 VanDerWaalsContact SG-N 3.35Å; C16-H23 PolarHBondContact SG-NE2 3.31Å; C16-H23 VanDerWaalsContact SG-NE2 3.44Å; C16-C30 HydrophobicContact CB-CB 3.98Å
17L81.9Confident80.9Confident127 Ų12780 Ų8067%0.66545%0.445SS*.  trans56.115.6-171.8-56.4178.8000114.3F12 C13F12-L17 HydrophobicContact CD2-CD2 3.94Å; F12-L17 HydrophobicContact CE2-CD2 3.87Å; C13-L17 WeakPolarHBondContact O-CA 3.14Å; C13-L17 PolarHBondContact O-N 3.43Å
18G84.3Confident80Confident16 Ų1676.1 Ų76.117%0.16542%0.419CS..  trans-82.1171.817500000113.1F12 C13 C16F12-G18 CarbonylContact C-O 3.55Å; F12-G18 VanDerWaalsContact CA-O 3.22Å; F12-G18 WeakPolarHBondContact CA-O 3.42Å; F12-G18 WeakPolarHBondContact CB-O 3.31Å; C13-G18 PolarHBondContact N-O 3.29Å; C16-G18 PolarHBondContact O-N 2.95Å; C16-G18 VanDerWaalsContact O-N 3.08Å; C16-G18 PolarHBondContact SG-N 3.11Å; C16-G18 VanDerWaalsContact SG-N 3.35Å
19P85.1Confident79.3Confident81 Ų8176.3 Ų76.353%0.52642%0.416SS..BIsolated β-bridgetrans-58.6140.1177.825.3-33.7000111P22 H23P19-P22 HydrophobicContact CG-CG 4.31Å; P19-P22 WeakPolarHBondContact O-CD 3.27Å; P19-H23 PolarHBondContact O-CE1 2.98Å; P19-H23 PolarHBondContact O-ND1 3.47Å
20W84.9Confident79.1Confident95 Ų9569.9 Ų69.936%0.3639%0.39SS..SBendtrans-73.2-32.5178.9-175.1-107.5000112.9E11 C13 P22 H23E11-W20 HydrophobicContact CB-CB 3.67Å; E11-W20 HydrophobicContact CB-CG 4.29Å; E11-W20 PolarHBondContact O-N 2.93Å; E11-W20 VanDerWaalsContact O-N 3.14Å; C13-W20 HydrophobicContact CB-CE3 4.09Å; C13-W20 HydrophobicContact CB-CZ3 4.37Å; W20-P22 VanDerWaalsContact C-CD 3.49Å; W20-P22 VanDerWaalsContact O-N 3.14Å; W20-H23 HydrophobicContact CD2-CB 4.23Å; W20-H23 HydrophobicContact CE3-CB 3.99Å; W20-H23 HydrophobicContact CZ3-CB 4.18Å; W20-H23 WeakPolarHBondContact O-CA 3.31Å; W20-H23 VanDerWaalsContact O-CB 3.23Å; W20-H23 WeakPolarHBondContact O-CB 3.21Å; W20-H23 PolarHBondContact O-N 3.41Å
21E83.9Confident78.8Confident182 Ų18268.2 Ų68.285%0.8538%0.375SS*.THydrogen-bonded Turntrans-43.4-47.7-176-174.4-178.2176.300115.8H23E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 3.44Å
22P81.6Confident78.7Confident20 Ų2065.4 Ų65.413%0.1336%0.359CS..THydrogen-bonded Turntrans-74.8-20.5178.731.6-38.7000113.6P19 W20 G24 S25 W27 Y28P19-P22 HydrophobicContact CG-CG 4.31Å; P19-P22 WeakPolarHBondContact O-CD 3.27Å; W20-P22 VanDerWaalsContact C-CD 3.49Å; W20-P22 VanDerWaalsContact O-N 3.14Å; P22-G24 PolarHBondContact O-N 2.89Å; P22-G24 VanDerWaalsContact O-N 3.12Å; P22-S25 WeakPolarHBondContact O-CB 3.35Å; P22-S25 PolarHBondContact O-N 3.18Å; P22-S25 VanDerWaalsContact O-N 3.09Å; P22-S25 PolarHBondContact O-OG 2.94Å; P22-S25 VanDerWaalsContact O-OG 3.07Å; P22-W27 HydrophobicContact CB-CH2 4.13Å; P22-W27 HydrophobicContact CB-CZ2 4.43Å; P22-Y28 HydrophobicContact CB-CD1 4.08Å; P22-Y28 HydrophobicContact CB-CD2 3.61Å; P22-Y28 HydrophobicContact CB-CE2 4.05Å; P22-Y28 HydrophobicContact CB-CG 3.61Å; P22-Y28 HydrophobicContact CG-CD1 4.2Å; P22-Y28 HydrophobicContact CG-CD2 3.96Å; P22-Y28 HydrophobicContact CG-CE1 4.14Å; P22-Y28 HydrophobicContact CG-CE2 3.86Å; P22-Y28 HydrophobicContact CG-CG 4.11Å; P22-Y28 WeakPolarHBondContact O-CB 3.45Å
23H74.1Confident78.6Confident29 Ų2963.6 Ų63.613%0.13435%0.351CS..THydrogen-bonded Turntrans-72.1103.4179.5-63.474.2000109.9C13 C16 P19 W20 E21 Y28 C30C13-H23 WeakPolarHBondContact CB-CE1 3.31Å; C13-H23 WeakPolarHBondContact CB-NE2 3.45Å; C13-H23 VanDerWaalsContact SG-CD2 3.59Å; C13-H23 PolarHBondContact SG-NE2 3.35Å; C16-H23 PolarHBondContact SG-NE2 3.31Å; C16-H23 VanDerWaalsContact SG-NE2 3.44Å; P19-H23 PolarHBondContact O-CE1 2.98Å; P19-H23 PolarHBondContact O-ND1 3.47Å; W20-H23 HydrophobicContact CD2-CB 4.23Å; W20-H23 HydrophobicContact CE3-CB 3.99Å; W20-H23 HydrophobicContact CZ3-CB 4.18Å; W20-H23 WeakPolarHBondContact O-CA 3.31Å; W20-H23 VanDerWaalsContact O-CB 3.23Å; W20-H23 WeakPolarHBondContact O-CB 3.21Å; W20-H23 PolarHBondContact O-N 3.41Å; E21-H23 VanDerWaalsContact C-N 3.32Å; E21-H23 PolarHBondContact O-N 3.44Å; H23-Y28 AromaticContact CD2-CE1 3.78Å; H23-Y28 AromaticContact CE1-CE1 3.18Å; H23-Y28 WeakPolarHBondContact CE1-CE1 3.48Å; H23-Y28 AromaticContact CE1-CZ 3.74Å; H23-Y28 AromaticContact CG-CE1 3.87Å; H23-Y28 AromaticContact ND1-CE1 3.51Å; H23-Y28 AromaticContact NE2-CE1 3.36Å; H23-Y28 WeakPolarHBondContact NE2-CE1 3.49Å; H23-C30 VanDerWaalsContact CD2-SG 3.56Å; H23-C30 VanDerWaalsContact NE2-CB 3.34Å; H23-C30 WeakPolarHBondContact NE2-CB 3.46Å; H23-C30 PolarHBondContact NE2-SG 3.06Å
24G65.9Low78.5Confident86 Ų8666.4 Ų66.489%0.88737%0.365SS*.THydrogen-bonded Turntrans134.8-15.5-171.200000112.3P22P22-G24 PolarHBondContact O-N 2.89Å; P22-G24 VanDerWaalsContact O-N 3.12Å
25S72.9Confident78.3Confident40 Ų4067.4 Ų67.428%0.2837%0.371SS..SBendtrans-84.2141.8171.6-42.50000110.8P22 W27 Y28P22-S25 WeakPolarHBondContact O-CB 3.35Å; P22-S25 PolarHBondContact O-N 3.18Å; P22-S25 VanDerWaalsContact O-N 3.09Å; P22-S25 PolarHBondContact O-OG 2.94Å; P22-S25 VanDerWaalsContact O-OG 3.07Å; S25-W27 VanDerWaalsContact CB-CD1 3.47Å; S25-W27 PolarHBondContact O-N 3.32Å; S25-W27 VanDerWaalsContact O-N 3.07Å; S25-Y28 PolarHBondContact O-N 3.29Å
26A67.4Low77.9Confident118 Ų11871.4 Ų71.498%0.97539%0.393SS*.THydrogen-bonded Turntrans-60.8-20.7179.300000114.1
27W71.8Confident77.1Confident197 Ų19774.9 Ų74.975%0.74641%0.409SS*.THydrogen-bonded Turntrans-93.2-13.9-175.460.5-95.1000114.1P22 S25P22-W27 HydrophobicContact CB-CH2 4.13Å; P22-W27 HydrophobicContact CB-CZ2 4.43Å; S25-W27 VanDerWaalsContact CB-CD1 3.47Å; S25-W27 PolarHBondContact O-N 3.32Å; S25-W27 VanDerWaalsContact O-N 3.07Å
28Y74.4Confident76.1Confident75 Ų7569.9 Ų69.929%0.29439%0.386SS..  trans-104.9119.8-176.2-172-87.9000111.1P22 H23 S25 C30P22-Y28 HydrophobicContact CB-CD1 4.08Å; P22-Y28 HydrophobicContact CB-CD2 3.61Å; P22-Y28 HydrophobicContact CB-CE2 4.05Å; P22-Y28 HydrophobicContact CB-CG 3.61Å; P22-Y28 HydrophobicContact CG-CD1 4.2Å; P22-Y28 HydrophobicContact CG-CD2 3.96Å; P22-Y28 HydrophobicContact CG-CE1 4.14Å; P22-Y28 HydrophobicContact CG-CE2 3.86Å; P22-Y28 HydrophobicContact CG-CG 4.11Å; P22-Y28 WeakPolarHBondContact O-CB 3.45Å; H23-Y28 AromaticContact CD2-CE1 3.78Å; H23-Y28 AromaticContact CE1-CE1 3.18Å; H23-Y28 WeakPolarHBondContact CE1-CE1 3.48Å; H23-Y28 AromaticContact CE1-CZ 3.74Å; H23-Y28 AromaticContact CG-CE1 3.87Å; H23-Y28 AromaticContact ND1-CE1 3.51Å; H23-Y28 AromaticContact NE2-CE1 3.36Å; H23-Y28 WeakPolarHBondContact NE2-CE1 3.49Å; S25-Y28 PolarHBondContact O-N 3.29Å; Y28-C30 HydrophobicContact CE1-CB 3.91Å
29N75.8Confident74.9Confident68 Ų6875.3 Ų75.336%0.36441%0.405SS..  trans-129.1109.2178.9-171.6-34.3000110.2N31 R32N29-N31 PolarHBondContact OD1-N 3.17Å; N29-R32 HydrophobicContact CB-CB 4.32Å; N29-R32 WeakPolarHBondContact OD1-CB 3.16Å; N29-R32 PolarHBondContact OD1-N 3.3Å
30C80.6Confident73.6Confident17 Ų1775.9 Ų75.912%0.11542%0.416CS..SBendtrans-85.7-10176.971.60000113.9C16 H23 Y28 R61C16-C30 HydrophobicContact CB-CB 3.98Å; H23-C30 VanDerWaalsContact CD2-SG 3.56Å; H23-C30 VanDerWaalsContact NE2-CB 3.34Å; H23-C30 WeakPolarHBondContact NE2-CB 3.46Å; H23-C30 PolarHBondContact NE2-SG 3.06Å; Y28-C30 HydrophobicContact CE1-CB 3.91Å; C30-R61 VanDerWaalsContact O-CZ 3.3Å; C30-R61 PolarHBondContact O-NE 3.17Å; C30-R61 PolarHBondContact O-NH2 3.4Å
31N81.8Confident72.2Confident12 Ų1273.3 Ų73.36%0.06442%0.415CS..SBendtrans-96-16.6-174.7-68.4-15.4000113.3N29 F57 E140N29-N31 PolarHBondContact OD1-N 3.17Å; N31-F57 WeakPolarHBondContact O-CE1 3.38Å; N31-F57 WeakPolarHBondContact O-CZ 3.21Å; N31-E140 PolarHBondContact ND2-OE1 2.95Å; N31-E140 PolarHBondContact OD1-OE1 2.78Å
32R84.4Confident71Confident57 Ų5773.9 Ų73.922%0.21541%0.409CS..SBendtrans-94.9132.1178.4-171.9171.2-158-172.61.6111N29 N34 F57 K125 E133N29-R32 HydrophobicContact CB-CB 4.32Å; N29-R32 WeakPolarHBondContact OD1-CB 3.16Å; N29-R32 PolarHBondContact OD1-N 3.3Å; R32-N34 PolarHBondContact O-N 2.98Å; R32-F57 WeakPolarHBondContact O-CZ 3.42Å; R32-K125 VanDerWaalsContact NH2-CE 3.3Å; R32-E133 IonicContact CZ-OE2 3.15Å; R32-E133 VanDerWaalsContact CZ-OE2 3.22Å; R32-E133 IonicContact NE-OE1 3.61Å; R32-E133 IonicContact NE-OE2 3.22Å; R32-E133 PolarHBondContact NE-OE2 3.36Å; R32-E133 IonicContact NH2-OE2 3.95Å; R32-E133 PolarHBondContact NH2-OE2 2.81Å; R32-E133 VanDerWaalsContact NH2-OE2 3.15Å
33Y83.8Confident70.1Confident26 Ų2679.8 Ų79.810%0.10244%0.44CS..  trans-76.1122.7170.9-176.8-107000109.5E35 A38 Q53 R54 F57 Y58Y33-E35 HydrophobicContact CD1-CG 3.94Å; Y33-E35 HydrophobicContact CE1-CG 3.88Å; Y33-A38 WeakPolarHBondContact OH-CB 3.38Å; Y33-Q53 HydrophobicContact CE2-CB 4.47Å; Y33-R54 HydrophobicContact CD1-CB 4.38Å; Y33-R54 HydrophobicContact CD1-CG 4.05Å; Y33-R54 HydrophobicContact CE1-CB 3.91Å; Y33-R54 HydrophobicContact CE1-CG 4.05Å; Y33-R54 HydrophobicContact CE2-CB 4.38Å; Y33-R54 HydrophobicContact CG-CG 4.43Å; Y33-F57 HydrophobicContact CD2-CB 3.76Å; Y33-F57 HydrophobicContact CD2-CD1 4.17Å; Y33-F57 AromaticContact CD2-CD2 3.8Å; Y33-F57 HydrophobicContact CD2-CD2 3.8Å; Y33-F57 HydrophobicContact CD2-CE2 4.41Å; Y33-F57 AromaticContact CD2-CG 3.66Å; Y33-F57 HydrophobicContact CD2-CG 3.66Å; Y33-F57 HydrophobicContact CE2-CB 4.26Å; Y33-F57 HydrophobicContact CG-CD1 4.44Å; Y33-F57 HydrophobicContact CG-CG 4.36Å; Y33-Y58 HydrophobicContact CG-CE2 4.38Å
34N80Confident69Low61 Ų6182.7 Ų82.733%0.32647%0.469SS..  trans-95.1107.5175.9-1690.3000110.7R32 D36 D37 A38R32-N34 PolarHBondContact O-N 2.98Å; N34-D36 VanDerWaalsContact C-N 3.29Å; N34-D36 PolarHBondContact O-N 3.27Å; N34-D36 PolarHBondContact OD1-N 3.49Å; N34-D37 HydrophobicContact CB-CB 4.18Å; N34-D37 WeakPolarHBondContact CB-OD2 3.28Å; N34-D37 PolarHBondContact ND2-OD1 3.42Å; N34-D37 PolarHBondContact ND2-OD2 3.41Å; N34-A38 PolarHBondContact O-N 2.85Å
35E73.8Confident68.6Low59 Ų5985.9 Ų85.928%0.27646%0.461SS..Hα-helixtrans-68.1-27.6177-68.4177.3-167.300112.9Y33 A38 K39 R54Y33-E35 HydrophobicContact CD1-CG 3.94Å; Y33-E35 HydrophobicContact CE1-CG 3.88Å; E35-A38 WeakPolarHBondContact O-CB 3.45Å; E35-A38 PolarHBondContact O-N 3.19Å; E35-K39 WeakPolarHBondContact O-CB 3.14Å; E35-K39 WeakPolarHBondContact O-CG 3.23Å; E35-K39 PolarHBondContact O-N 2.9Å; E35-R54 IonicContact OE1-NH1 2.86Å
36D68.5Low68Low92 Ų9287.8 Ų87.849%0.49247%0.465SS..Hα-helixtrans-76.1-36.2-177.1-61.3-38.9000111.2N34 A38 K39 A40N34-D36 VanDerWaalsContact C-N 3.29Å; N34-D36 PolarHBondContact O-N 3.27Å; N34-D36 PolarHBondContact OD1-N 3.49Å; D36-A38 PolarHBondContact O-N 2.95Å; D36-K39 PolarHBondContact O-N 3.04Å; D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 3.44Å
37D62.5Low68Low115 Ų11592.6 Ų92.662%0.61546%0.458SS*.Hα-helixtrans-64.3-32.3170-67.4-21.2000111.3N34N34-D37 HydrophobicContact CB-CB 4.18Å; N34-D37 WeakPolarHBondContact CB-OD2 3.28Å; N34-D37 PolarHBondContact ND2-OD1 3.42Å; N34-D37 PolarHBondContact ND2-OD2 3.41Å
38A59.8Low67.9Low22 Ų2287.9 Ų87.918%0.18246%0.455CS..Hα-helixtrans-73.9-38.3175.300000112.2Y33 N34 E35 D36Y33-A38 WeakPolarHBondContact OH-CB 3.38Å; N34-A38 PolarHBondContact O-N 2.85Å; E35-A38 WeakPolarHBondContact O-CB 3.45Å; E35-A38 PolarHBondContact O-N 3.19Å; D36-A38 PolarHBondContact O-N 2.95Å
39K59.9Low67.9Low130 Ų13091 Ų9157%0.56547%0.467SS*.Hα-helixtrans-75.8-37.2179.1-78.7174.5-177.7166.40113.7E35 D36 A41E35-K39 WeakPolarHBondContact O-CB 3.14Å; E35-K39 WeakPolarHBondContact O-CG 3.23Å; E35-K39 PolarHBondContact O-N 2.9Å; D36-K39 PolarHBondContact O-N 3.04Å; K39-A41 PolarHBondContact O-N 3.27Å
40A57.5Low68.1Low92 Ų9289.7 Ų89.776%0.7647%0.465SS*.THydrogen-bonded Turntrans-62.6-8.2176.800000113D36D36-A40 VanDerWaalsContact O-CB 3.3Å; D36-A40 WeakPolarHBondContact O-CB 3.49Å; D36-A40 PolarHBondContact O-N 3.44Å
41A56.3Low68.2Low42 Ų4291.7 Ų91.735%0.34748%0.483SS..THydrogen-bonded Turntrans-10822.2-169.200000116.5K39K39-A41 PolarHBondContact O-N 3.27Å
42R59.3Low68.4Low193 Ų19395.7 Ų95.773%0.72850%0.504SS*.  trans142159.8152.6-80.7161.1-83.9-126.6-5.1116.7E46R42-E46 WeakPolarHBondContact O-CG 3.29Å
43D60.7Low68.6Low145 Ų14597.4 Ų97.478%0.77551%0.514SS*.SBendtrans-60.5150.6179.4-61-45.7000120.3Q45D43-Q45 VanDerWaalsContact C-N 3.27Å; D43-Q45 PolarHBondContact O-N 2.96Å
44A51.5Low68.9Low89 Ų8997.2 Ų97.274%0.73651%0.513SS*.SBendtrans25.3-29.2162.100000122.5E46A44-E46 WeakPolarHBondContact CA-OE2 3.19Å; A44-E46 PolarHBondContact N-OE2 3.12Å; A44-E46 PolarHBondContact O-N 3.24Å
45Q57.2Low69.5Low153 Ų153100.3 Ų100.372%0.71552%0.521SS*.SBendtrans-77.227.7164.2-154.9173.314.200111.1D43D43-Q45 VanDerWaalsContact C-N 3.27Å; D43-Q45 PolarHBondContact O-N 2.96Å
46E62Low70.4Confident80 Ų80101.2 Ų101.237%0.37453%0.527SS..Hα-helixtrans-86.3-46.2-158.6-92.5167127.100114.3R42 A44 S48 R49 A50R42-E46 WeakPolarHBondContact O-CG 3.29Å; A44-E46 WeakPolarHBondContact CA-OE2 3.19Å; A44-E46 PolarHBondContact N-OE2 3.12Å; A44-E46 PolarHBondContact O-N 3.24Å; E46-S48 PolarHBondContact O-N 2.99Å; E46-R49 PolarHBondContact O-N 3.03Å; E46-A50 WeakPolarHBondContact O-CB 3.27Å; E46-A50 PolarHBondContact O-N 3.38Å
47R65.9Low71.5Confident219 Ų21998.4 Ų98.483%0.82651%0.511SS*.Hα-helixtrans-64.3-45-165.8-69.9-168.5-68.9-95.21.8113R49 A50 A51R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.47Å; R47-A50 PolarHBondContact O-N 3.08Å; R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 2.91Å
48S69.1Low73Confident99 Ų9993.2 Ų93.269%0.69248%0.483SS*.Hα-helixtrans-64.9-37.4178.1175.60000112.1E46 L52E46-S48 PolarHBondContact O-N 2.99Å; S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 3.49Å
49R76.4Confident74.7Confident141 Ų14193.9 Ų93.953%0.53249%0.486SS..Hα-helixtrans-71-42.5177.3-82.4-179.4166.3164-1.1112.3E46 R47 L52 Q53E46-R49 PolarHBondContact O-N 3.03Å; R47-R49 VanDerWaalsContact C-N 3.34Å; R47-R49 PolarHBondContact O-N 3.47Å; R49-L52 PolarHBondContact O-N 2.82Å; R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 WeakPolarHBondContact O-CG 3.3Å; R49-Q53 PolarHBondContact O-N 3.46Å
50A78.9Confident76.3Confident40 Ų4091.8 Ų91.833%0.33148%0.481SS..Hα-helixtrans-63.3-45177.200000111.4E46 R47 L52 Q53 R54E46-A50 WeakPolarHBondContact O-CB 3.27Å; E46-A50 PolarHBondContact O-N 3.38Å; R47-A50 PolarHBondContact O-N 3.08Å; A50-L52 PolarHBondContact O-N 3.11Å; A50-Q53 PolarHBondContact O-N 3.05Å; A50-R54 WeakPolarHBondContact O-CB 3.39Å; A50-R54 PolarHBondContact O-N 3.23Å
51A82.3Confident78.1Confident59 Ų5988.2 Ų88.249%0.48845%0.447SS..Hα-helixtrans-60-44.5175.100000111.9R47 R54 Y55R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 2.91Å; A51-R54 PolarHBondContact O-N 2.91Å; A51-Y55 WeakPolarHBondContact O-CB 3.25Å; A51-Y55 PolarHBondContact O-N 3.4Å
52L87.1Confident80Confident95 Ų9589 Ų8950%0.49744%0.442SS..Hα-helixtrans-63.5-42.7176.2179.161.5000112.2S48 R49 A50 Y55 L56S48-L52 WeakPolarHBondContact O-CB 3.49Å; S48-L52 PolarHBondContact O-N 3.49Å; R49-L52 PolarHBondContact O-N 2.82Å; A50-L52 PolarHBondContact O-N 3.11Å; L52-Y55 HydrophobicContact CD1-CD1 4.39Å; L52-Y55 PolarHBondContact O-N 3Å; L52-L56 HydrophobicContact CD1-CD1 4.21Å; L52-L56 HydrophobicContact CD1-CG 4.11Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.39Å
53Q88Confident81.8Confident94 Ų9484 Ų8444%0.43943%0.428SS..Hα-helixtrans-62.9-44.3177.6-78.6-179.5-11.200111.9Y33 R49 A50 L56 F57Y33-Q53 HydrophobicContact CE2-CB 4.47Å; R49-Q53 WeakPolarHBondContact O-CB 3.48Å; R49-Q53 WeakPolarHBondContact O-CG 3.3Å; R49-Q53 PolarHBondContact O-N 3.46Å; A50-Q53 PolarHBondContact O-N 3.05Å; Q53-L56 PolarHBondContact O-N 3.16Å; Q53-F57 WeakPolarHBondContact O-CB 3.45Å; Q53-F57 PolarHBondContact O-N 3.43Å
54R90.3Very high83.4Confident22 Ų2279 Ų798%0.08340%0.401CS..Hα-helixtrans-58.5-49.7173.9-171.4-177.1177.683.71.3110.3Y33 E35 A50 A51 L56 F57 Y58 A120 F121 L123Y33-R54 HydrophobicContact CD1-CB 4.38Å; Y33-R54 HydrophobicContact CD1-CG 4.05Å; Y33-R54 HydrophobicContact CE1-CB 3.91Å; Y33-R54 HydrophobicContact CE1-CG 4.05Å; Y33-R54 HydrophobicContact CE2-CB 4.38Å; Y33-R54 HydrophobicContact CG-CG 4.43Å; E35-R54 IonicContact OE1-NH1 2.86Å; A50-R54 WeakPolarHBondContact O-CB 3.39Å; A50-R54 PolarHBondContact O-N 3.23Å; A51-R54 PolarHBondContact O-N 2.91Å; R54-L56 PolarHBondContact O-N 3.4Å; R54-F57 WeakPolarHBondContact O-CB 3.41Å; R54-F57 PolarHBondContact O-N 3.13Å; R54-Y58 HydrophobicContact CG-CD2 3.83Å; R54-Y58 HydrophobicContact CG-CE2 3.67Å; R54-Y58 VanDerWaalsContact O-CD2 3.26Å; R54-Y58 WeakPolarHBondContact O-CD2 3.37Å; R54-Y58 PolarHBondContact O-N 3.16Å; R54-Y58 VanDerWaalsContact O-N 3.15Å; R54-A120 PolarHBondContact NH2-O 3.23Å; R54-F121 HydrophobicContact CB-CE2 4.45Å; R54-F121 HydrophobicContact CG-CD2 4.01Å; R54-F121 HydrophobicContact CG-CE2 4.01Å; R54-F121 VanDerWaalsContact CZ-O 3.27Å; R54-F121 PolarHBondContact NE-O 3.07Å; R54-F121 PolarHBondContact NH2-O 2.87Å; R54-L123 PolarHBondContact NH2-O 3.39Å
55Y91.9Very high85.5Confident125 Ų12574.7 Ų74.749%0.4937%0.366SS..Hα-helixtrans-55.9-50.6177.4171.8-100.7000111.9A51 L52 F57 Y58 C59A51-Y55 WeakPolarHBondContact O-CB 3.25Å; A51-Y55 PolarHBondContact O-N 3.4Å; L52-Y55 HydrophobicContact CD1-CD1 4.39Å; L52-Y55 PolarHBondContact O-N 3Å; Y55-F57 VanDerWaalsContact C-N 3.3Å; Y55-F57 PolarHBondContact O-N 3.26Å; Y55-Y58 PolarHBondContact O-N 3.35Å; Y55-C59 HydrophobicContact CE1-CB 4.27Å; Y55-C59 HydrophobicContact CE2-CB 4.28Å; Y55-C59 WeakPolarHBondContact O-CB 3.47Å; Y55-C59 PolarHBondContact O-N 3.29Å
56L92.4Very high87.3Confident78 Ų7869.3 Ų69.341%0.40834%0.341SS..Hα-helixtrans-60.8-38.6178.5-70.5173.7000111.9L52 Q53 R54 N60L52-L56 HydrophobicContact CD1-CD1 4.21Å; L52-L56 HydrophobicContact CD1-CG 4.11Å; L52-L56 HydrophobicContact CG-CD1 4.04Å; L52-L56 HydrophobicContact CG-CG 4.38Å; L52-L56 WeakPolarHBondContact O-CB 3.3Å; L52-L56 VanDerWaalsContact O-CG 3.28Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.39Å; Q53-L56 PolarHBondContact O-N 3.16Å; R54-L56 PolarHBondContact O-N 3.4Å; L56-N60 WeakPolarHBondContact O-CB 3.31Å; L56-N60 PolarHBondContact O-N 3.48Å; L56-N60 PolarHBondContact O-ND2 3.44Å; L56-N60 VanDerWaalsContact O-ND2 3.1Å
57F92.2Very high88.9Confident33 Ų3370.6 Ų70.615%0.14535%0.347CS..Hα-helixtrans-59-53.1177.8178.5-83.4000112.2N31 R32 Y33 Q53 R54 Y55 R61N31-F57 WeakPolarHBondContact O-CE1 3.38Å; N31-F57 WeakPolarHBondContact O-CZ 3.21Å; R32-F57 WeakPolarHBondContact O-CZ 3.42Å; Y33-F57 HydrophobicContact CD2-CB 3.76Å; Y33-F57 HydrophobicContact CD2-CD1 4.17Å; Y33-F57 AromaticContact CD2-CD2 3.8Å; Y33-F57 HydrophobicContact CD2-CD2 3.8Å; Y33-F57 HydrophobicContact CD2-CE2 4.41Å; Y33-F57 AromaticContact CD2-CG 3.66Å; Y33-F57 HydrophobicContact CD2-CG 3.66Å; Y33-F57 HydrophobicContact CE2-CB 4.26Å; Y33-F57 HydrophobicContact CG-CD1 4.44Å; Y33-F57 HydrophobicContact CG-CG 4.36Å; Q53-F57 WeakPolarHBondContact O-CB 3.45Å; Q53-F57 PolarHBondContact O-N 3.43Å; R54-F57 WeakPolarHBondContact O-CB 3.41Å; R54-F57 PolarHBondContact O-N 3.13Å; Y55-F57 VanDerWaalsContact C-N 3.3Å; Y55-F57 PolarHBondContact O-N 3.26Å; F57-R61 PolarHBondContact O-N 2.95Å; F57-R61 PolarHBondContact O-NH1 3.11Å
58Y95.1Very high90.2Very high7 Ų761.1 Ų61.13%0.02731%0.314CS..Hα-helixtrans-74.7-38.4-177.7-70.7-77.5000111.7Y33 R54 Y55 R61 Y62 Y117 A120 F121Y33-Y58 HydrophobicContact CG-CE2 4.38Å; R54-Y58 HydrophobicContact CG-CD2 3.83Å; R54-Y58 HydrophobicContact CG-CE2 3.67Å; R54-Y58 VanDerWaalsContact O-CD2 3.26Å; R54-Y58 WeakPolarHBondContact O-CD2 3.37Å; R54-Y58 PolarHBondContact O-N 3.16Å; R54-Y58 VanDerWaalsContact O-N 3.15Å; Y55-Y58 PolarHBondContact O-N 3.35Å; Y58-R61 PolarHBondContact O-N 3.02Å; Y58-Y62 PolarHBondContact O-N 3.22Å; Y58-Y117 AromaticContact CD1-CD1 3.89Å; Y58-Y117 HydrophobicContact CD1-CD1 3.89Å; Y58-Y117 WeakPolarHBondContact CD1-O 3.36Å; Y58-Y117 HydrophobicContact CE1-CD1 4.34Å; Y58-A120 HydrophobicContact CD1-CB 3.97Å; Y58-A120 HydrophobicContact CE1-CB 3.38Å; Y58-F121 HydrophobicContact CD1-CB 4.34Å; Y58-F121 HydrophobicContact CD2-CB 3.88Å; Y58-F121 AromaticContact CD2-CD2 3.73Å; Y58-F121 HydrophobicContact CD2-CD2 3.73Å; Y58-F121 HydrophobicContact CD2-CG 4.3Å; Y58-F121 HydrophobicContact CE2-CB 4.44Å; Y58-F121 HydrophobicContact CE2-CD2 4.48Å; Y58-F121 HydrophobicContact CG-CB 3.81Å; Y58-F121 HydrophobicContact CG-CD2 4.27Å
59C95.2Very high91.5Very high35 Ų3557.8 Ų57.824%0.23629%0.289CS..Hα-helixtrans-62.6-44.3176.9-174.90000111.9Y55 R61 Y62 M63Y55-C59 HydrophobicContact CE1-CB 4.27Å; Y55-C59 HydrophobicContact CE2-CB 4.28Å; Y55-C59 WeakPolarHBondContact O-CB 3.47Å; Y55-C59 PolarHBondContact O-N 3.29Å; C59-R61 VanDerWaalsContact C-N 3.32Å; C59-R61 PolarHBondContact O-N 3.44Å; C59-Y62 WeakPolarHBondContact O-CB 3.39Å; C59-Y62 PolarHBondContact O-N 2.93Å; C59-M63 WeakPolarHBondContact O-CB 3.5Å; C59-M63 VanDerWaalsContact O-CG 3.25Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.43Å
60N93.4Very high92.4Very high86 Ų8658.6 Ų58.646%0.4629%0.291SS..Hα-helixtrans-60.2-41.2176.7-74.3-22.3000111.9L56 M63 N64L56-N60 WeakPolarHBondContact O-CB 3.31Å; L56-N60 PolarHBondContact O-N 3.48Å; L56-N60 PolarHBondContact O-ND2 3.44Å; L56-N60 VanDerWaalsContact O-ND2 3.1Å; N60-M63 PolarHBondContact O-N 2.88Å; N60-N64 WeakPolarHBondContact O-CB 3.35Å; N60-N64 PolarHBondContact O-N 3.41Å; N60-N64 PolarHBondContact O-OD1 3.28Å
61R95.1Very high92.9Very high17 Ų1761.9 Ų61.96%0.06430%0.299CS..Hα-helixtrans-68.4-41.3178.1-73.9172.3-177.562.87.4112.4V15 C30 F57 Y58 C59 M63 N64 H65 Y117V15-R61 HydrophobicContact CG1-CG 3.98Å; C30-R61 VanDerWaalsContact O-CZ 3.3Å; C30-R61 PolarHBondContact O-NE 3.17Å; C30-R61 PolarHBondContact O-NH2 3.4Å; F57-R61 PolarHBondContact O-N 2.95Å; F57-R61 PolarHBondContact O-NH1 3.11Å; Y58-R61 PolarHBondContact O-N 3.02Å; C59-R61 VanDerWaalsContact C-N 3.32Å; C59-R61 PolarHBondContact O-N 3.44Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 3.42Å; R61-N64 PolarHBondContact O-N 3.45Å; R61-H65 PolarHBondContact O-CD2 3.47Å; R61-H65 PolarHBondContact O-N 3.15Å; R61-Y117 HydrophobicContact CB-CD1 3.84Å; R61-Y117 HydrophobicContact CB-CD2 3.66Å; R61-Y117 HydrophobicContact CB-CE1 3.94Å; R61-Y117 HydrophobicContact CB-CE2 3.75Å; R61-Y117 HydrophobicContact CB-CG 3.7Å; R61-Y117 HydrophobicContact CG-CD1 4.43Å; R61-Y117 HydrophobicContact CG-CE1 4.15Å; R61-Y117 HydrophobicContact CG-CE2 4.45Å
62Y96.5Very high93.4Very high60 Ų6059.4 Ų59.424%0.23528%0.277CS..Hα-helixtrans-55-50.6170.2174.6-84.5000111.3Y58 C59 N64 H65 M66 M114 Y115 V118Y58-Y62 PolarHBondContact O-N 3.22Å; C59-Y62 WeakPolarHBondContact O-CB 3.39Å; C59-Y62 PolarHBondContact O-N 2.93Å; Y62-N64 VanDerWaalsContact C-N 3.35Å; Y62-N64 PolarHBondContact O-N 2.97Å; Y62-H65 PolarHBondContact O-N 2.89Å; Y62-M66 HydrophobicContact CE1-CB 4.5Å; Y62-M66 HydrophobicContact CE1-SD 4.07Å; Y62-M66 WeakPolarHBondContact O-CB 3.22Å; Y62-M66 PolarHBondContact O-N 3.31Å; Y62-M114 HydrophobicContact CD2-CB 3.72Å; Y62-M114 HydrophobicContact CD2-CE 4.37Å; Y62-M114 HydrophobicContact CD2-CG 4.37Å; Y62-M114 WeakPolarHBondContact CD2-O 3.31Å; Y62-M114 HydrophobicContact CE1-CE 4.08Å; Y62-M114 HydrophobicContact CE2-CB 3.75Å; Y62-M114 HydrophobicContact CE2-CE 3.58Å; Y62-M114 HydrophobicContact CE2-CG 4.4Å; Y62-M114 VanDerWaalsContact OH-CE 3.32Å; Y62-M114 WeakPolarHBondContact OH-CE 3.37Å; Y62-Y115 HydrophobicContact CE2-CE1 4.42Å; Y62-V118 HydrophobicContact CD2-CG2 3.73Å; Y62-V118 HydrophobicContact CE2-CG2 4.15Å
63M96.4Very high93.6Very high87 Ų8760.1 Ų60.143%0.42928%0.278SS..Hα-helixtrans-63.9-39.1-178.7-70.7-64.3-65.700112.1C59 N60 R61 M66 Q67C59-M63 WeakPolarHBondContact O-CB 3.5Å; C59-M63 VanDerWaalsContact O-CG 3.25Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.43Å; N60-M63 PolarHBondContact O-N 2.88Å; R61-M63 VanDerWaalsContact C-N 3.34Å; R61-M63 PolarHBondContact O-N 3.42Å; M63-M66 HydrophobicContact CE-CE 3.45Å; M63-M66 VanDerWaalsContact CE-CE 3.45Å; M63-M66 PolarHBondContact O-N 2.99Å; M63-M66 HydrophobicContact SD-CE 3.37Å; M63-M66 WeakPolarHBondContact SD-CE 3.17Å; M63-Q67 WeakPolarHBondContact O-CB 3.2Å; M63-Q67 PolarHBondContact O-N 3.47Å
64N93.8Very high93.6Very high39 Ų3962.3 Ų62.321%0.20929%0.286CS..Hα-helixtrans-60.7-49.1175.9-73.5-7.2000111W14 V15 N60 R61 Y62 M66 Q67 S68W14-N64 HydrophobicContact CH2-CB 4.41Å; W14-N64 HydrophobicContact CZ3-CB 3.93Å; V15-N64 PolarHBondContact O-ND2 3.3Å; N60-N64 WeakPolarHBondContact O-CB 3.35Å; N60-N64 PolarHBondContact O-N 3.41Å; N60-N64 PolarHBondContact O-OD1 3.28Å; R61-N64 PolarHBondContact O-N 3.45Å; Y62-N64 VanDerWaalsContact C-N 3.35Å; Y62-N64 PolarHBondContact O-N 2.97Å; N64-M66 VanDerWaalsContact C-N 3.35Å; N64-M66 PolarHBondContact O-N 3.43Å; N64-Q67 PolarHBondContact O-N 3.39Å; N64-S68 PolarHBondContact O-N 3.34Å; N64-S68 PolarHBondContact O-OG 3.14Å
65H95.6Very high93.5Very high0 Ų061.9 Ų61.90%029%0.285CS..Hα-helixtrans-65.1-38176.2-76.7-64.7000112.7W14 R61 Y62 Q67 S68 L69 R110 L113 M114 Y117 E140W14-H65 AromaticContact CH2-CE1 3.53Å; W14-H65 AromaticContact CH2-ND1 3.72Å; W14-H65 AromaticContact CZ2-CE1 3.66Å; R61-H65 PolarHBondContact O-CD2 3.47Å; R61-H65 PolarHBondContact O-N 3.15Å; Y62-H65 PolarHBondContact O-N 2.89Å; H65-Q67 VanDerWaalsContact C-N 3.28Å; H65-Q67 PolarHBondContact O-N 2.93Å; H65-S68 PolarHBondContact O-N 3.34Å; H65-L69 WeakPolarHBondContact O-CB 3.22Å; H65-L69 PolarHBondContact O-N 3.46Å; H65-R110 PolarHBondContact CE1-NH1 2.97Å; H65-R110 VanDerWaalsContact CE1-NH1 3.28Å; H65-R110 WeakPolarHBondContact ND1-CD 3.23Å; H65-R110 PolarHBondContact ND1-NH1 3.26Å; H65-L113 VanDerWaalsContact CE1-CD1 3.49Å; H65-L113 WeakPolarHBondContact CE1-CD1 3.25Å; H65-M114 HydrophobicContact CB-CG 3.47Å; H65-M114 VanDerWaalsContact CB-CG 3.47Å; H65-Y117 AromaticContact CD2-CD2 3.92Å; H65-Y117 AromaticContact CD2-CE2 3.58Å; H65-Y117 AromaticContact NE2-CE2 3.55Å; H65-E140 IonicContact CD2-OE2 2.87Å; H65-E140 IonicContact CE1-OE2 2.79Å; H65-E140 PolarHBondContact CE1-OE2 2.85Å; H65-E140 VanDerWaalsContact CE1-OE2 3.23Å; H65-E140 IonicContact NE2-OE2 3.74Å; H65-E140 PolarHBondContact NE2-OE2 3.5Å
66M96.6Very high93.5Very high39 Ų3959.4 Ų59.419%0.19228%0.275CS..Hα-helixtrans-62-38.1174.6-173.1-179.965.400111.7Y62 M63 N64 R70 M114Y62-M66 HydrophobicContact CE1-CB 4.5Å; Y62-M66 HydrophobicContact CE1-SD 4.07Å; Y62-M66 WeakPolarHBondContact O-CB 3.22Å; Y62-M66 PolarHBondContact O-N 3.31Å; M63-M66 HydrophobicContact CE-CE 3.45Å; M63-M66 VanDerWaalsContact CE-CE 3.45Å; M63-M66 PolarHBondContact O-N 2.99Å; M63-M66 HydrophobicContact SD-CE 3.37Å; M63-M66 WeakPolarHBondContact SD-CE 3.17Å; N64-M66 VanDerWaalsContact C-N 3.35Å; N64-M66 PolarHBondContact O-N 3.43Å; M66-R70 WeakPolarHBondContact O-CG 3.28Å; M66-R70 PolarHBondContact O-N 2.84Å; M66-M114 HydrophobicContact CB-CE 3.8Å; M66-M114 HydrophobicContact CB-SD 4Å; M66-M114 HydrophobicContact CG-CE 3.97Å; M66-M114 HydrophobicContact CG-SD 4.49Å
67Q95Very high93.4Very high108 Ų10859.1 Ų59.151%0.50528%0.284SS..Hα-helixtrans-70.4-45.5176.6-172176.88.200111.5M63 N64 H65 L69 R70 F71M63-Q67 WeakPolarHBondContact O-CB 3.2Å; M63-Q67 PolarHBondContact O-N 3.47Å; N64-Q67 PolarHBondContact O-N 3.39Å; H65-Q67 VanDerWaalsContact C-N 3.28Å; H65-Q67 PolarHBondContact O-N 2.93Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.48Å; Q67-R70 WeakPolarHBondContact O-CB 3.49Å; Q67-R70 PolarHBondContact O-N 3.46Å; Q67-R70 VanDerWaalsContact O-N 3.11Å; Q67-F71 HydrophobicContact CG-CD2 4.24Å; Q67-F71 HydrophobicContact CG-CE2 3.67Å; Q67-F71 HydrophobicContact CG-CZ 4.47Å; Q67-F71 VanDerWaalsContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CD2 3.35Å; Q67-F71 PolarHBondContact O-N 3.46Å
68S93.7Very high93.1Very high19 Ų1963.4 Ų63.413%0.13331%0.305CS..Hα-helixtrans-57.4-42.2174.2-61.60000111.6W14 N64 H65 R70 F71 E72W14-S68 VanDerWaalsContact CZ3-OG 3.31Å; W14-S68 WeakPolarHBondContact CZ3-OG 3.32Å; N64-S68 PolarHBondContact O-N 3.34Å; N64-S68 PolarHBondContact O-OG 3.14Å; H65-S68 PolarHBondContact O-N 3.34Å; S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 3.43Å; S68-F71 CarbonylContact O-C 3.55Å; S68-F71 WeakPolarHBondContact O-CA 3.25Å; S68-F71 WeakPolarHBondContact O-CB 3Å; S68-F71 PolarHBondContact O-N 2.87Å; S68-E72 VanDerWaalsContact CB-OE1 3.31Å; S68-E72 WeakPolarHBondContact CB-OE1 3.14Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 3.41Å; S68-E72 VanDerWaalsContact O-OE1 3.12Å
69L95.9Very high92.8Very high30 Ų3063.5 Ų63.516%0.15731%0.306CS..Hα-helixtrans-55.3-39.6174.2-174.260.4000113.7H65 Q67 F71 E72 H73 C107 R110 A111 M114H65-L69 WeakPolarHBondContact O-CB 3.22Å; H65-L69 PolarHBondContact O-N 3.46Å; Q67-L69 VanDerWaalsContact C-N 3.29Å; Q67-L69 PolarHBondContact O-N 3.48Å; L69-F71 VanDerWaalsContact C-N 3.31Å; L69-F71 PolarHBondContact O-N 3.01Å; L69-E72 WeakPolarHBondContact CA-OE2 3.16Å; L69-E72 PolarHBondContact N-OE2 3.22Å; L69-E72 PolarHBondContact O-N 3.02Å; L69-H73 PolarHBondContact O-CD2 2.85Å; L69-H73 PolarHBondContact O-N 3.43Å; L69-H73 VanDerWaalsContact O-N 3.08Å; L69-C107 HydrophobicContact CD1-CB 3.7Å; L69-R110 HydrophobicContact CB-CB 4.35Å; L69-R110 HydrophobicContact CD1-CB 4.23Å; L69-A111 HydrophobicContact CD2-CB 4.43Å; L69-M114 HydrophobicContact CD2-SD 4.08Å
70R94.6Very high92.6Very high157 Ų15768 Ų6859%0.59232%0.321SS*.Hα-helixtrans-67.1-32.3174.8-66.4172.7-177.6-177.81.1112.4M66 Q67 S68M66-R70 WeakPolarHBondContact O-CG 3.28Å; M66-R70 PolarHBondContact O-N 2.84Å; Q67-R70 WeakPolarHBondContact O-CB 3.49Å; Q67-R70 PolarHBondContact O-N 3.46Å; Q67-R70 VanDerWaalsContact O-N 3.11Å; S68-R70 VanDerWaalsContact C-N 3.27Å; S68-R70 PolarHBondContact O-N 3.43Å
71F90.5Very high92.4Very high110 Ų11069.2 Ų69.248%0.48232%0.324SS..Hα-helixtrans-74.3-39175.3-68.4-61.7000111.8Q67 S68 L69 H73 K74 L75Q67-F71 HydrophobicContact CG-CD2 4.24Å; Q67-F71 HydrophobicContact CG-CE2 3.67Å; Q67-F71 HydrophobicContact CG-CZ 4.47Å; Q67-F71 VanDerWaalsContact O-CD2 3.26Å; Q67-F71 WeakPolarHBondContact O-CD2 3.35Å; Q67-F71 PolarHBondContact O-N 3.46Å; S68-F71 CarbonylContact O-C 3.55Å; S68-F71 WeakPolarHBondContact O-CA 3.25Å; S68-F71 WeakPolarHBondContact O-CB 3Å; S68-F71 PolarHBondContact O-N 2.87Å; L69-F71 VanDerWaalsContact C-N 3.31Å; L69-F71 PolarHBondContact O-N 3.01Å; F71-H73 VanDerWaalsContact C-N 3.29Å; F71-H73 PolarHBondContact O-N 3.31Å; F71-K74 WeakPolarHBondContact O-CA 3.29Å; F71-K74 VanDerWaalsContact O-CB 3.29Å; F71-K74 WeakPolarHBondContact O-CB 3.46Å; F71-K74 PolarHBondContact O-N 2.66Å; F71-L75 PolarHBondContact O-N 2.98Å
72E91.6Very high91.9Very high6 Ų670.4 Ų70.43%0.02833%0.33CS..Hα-helixtrans-64.8-34.1176.8-66.3135.6-158.300112.3S68 L69 K74 L75 L106 R110S68-E72 VanDerWaalsContact CB-OE1 3.31Å; S68-E72 WeakPolarHBondContact CB-OE1 3.14Å; S68-E72 WeakPolarHBondContact O-CG 3.3Å; S68-E72 PolarHBondContact O-N 3.41Å; S68-E72 VanDerWaalsContact O-OE1 3.12Å; L69-E72 WeakPolarHBondContact CA-OE2 3.16Å; L69-E72 PolarHBondContact N-OE2 3.22Å; L69-E72 PolarHBondContact O-N 3.02Å; E72-K74 PolarHBondContact O-N 3.47Å; E72-L75 WeakPolarHBondContact O-CA 3.46Å; E72-L75 WeakPolarHBondContact O-CB 3.45Å; E72-L75 PolarHBondContact O-N 2.88Å; E72-L106 HydrophobicContact CG-CD2 3.77Å; E72-L106 HydrophobicContact CG-CG 3.94Å; E72-R110 VanDerWaalsContact OE1-CD 3.27Å; E72-R110 WeakPolarHBondContact OE1-CD 3.11Å; E72-R110 WeakPolarHBondContact OE1-CG 3.29Å; E72-R110 IonicContact OE1-CZ 3.29Å; E72-R110 IonicContact OE1-NE 3.05Å; E72-R110 PolarHBondContact OE1-NE 2.92Å; E72-R110 IonicContact OE1-NH2 2.86Å; E72-R110 WeakPolarHBondContact OE2-CG 3.48Å; E72-R110 IonicContact OE2-NE 3.88Å
73H91Very high91.7Very high111 Ų11168.4 Ų68.451%0.51432%0.323SS..Hα-helixtrans-59.6-27.6171.1-77-170.5000113L69 F71 L75 Y76L69-H73 PolarHBondContact O-CD2 2.85Å; L69-H73 PolarHBondContact O-N 3.43Å; L69-H73 VanDerWaalsContact O-N 3.08Å; F71-H73 VanDerWaalsContact C-N 3.29Å; F71-H73 PolarHBondContact O-N 3.31Å; H73-L75 VanDerWaalsContact C-N 3.34Å; H73-Y76 WeakPolarHBondContact O-CD2 3.18Å
74K89.1Confident91.4Very high140 Ų14068.5 Ų68.561%0.60932%0.323SS*.Hα-helixtrans-77.3-22.8174-58.3176.6-179178.40112.2F71 E72 Y76 A77F71-K74 WeakPolarHBondContact O-CA 3.29Å; F71-K74 VanDerWaalsContact O-CB 3.29Å; F71-K74 WeakPolarHBondContact O-CB 3.46Å; F71-K74 PolarHBondContact O-N 2.66Å; E72-K74 PolarHBondContact O-N 3.47Å; K74-Y76 VanDerWaalsContact C-N 3.27Å; K74-Y76 PolarHBondContact O-N 3.21Å; K74-A77 PolarHBondContact O-N 3.32Å
75L88.1Confident91.1Very high13 Ų1369.6 Ų69.67%0.06833%0.326CS..Hα-helixtrans-67.7-25.9179.5-169.363.1000112.4F71 E72 H73 A77 Q78 V79 V103 L106 L150F71-L75 PolarHBondContact O-N 2.98Å; E72-L75 WeakPolarHBondContact O-CA 3.46Å; E72-L75 WeakPolarHBondContact O-CB 3.45Å; E72-L75 PolarHBondContact O-N 2.88Å; H73-L75 VanDerWaalsContact C-N 3.34Å; L75-A77 PolarHBondContact O-N 3.02Å; L75-Q78 HydrophobicContact CD1-CB 4.38Å; L75-Q78 PolarHBondContact O-N 2.95Å; L75-Q78 VanDerWaalsContact O-N 3.13Å; L75-V79 HydrophobicContact CG-CG2 4.3Å; L75-V79 PolarHBondContact O-N 2.89Å; L75-V103 HydrophobicContact CB-CG1 4.5Å; L75-V103 HydrophobicContact CD2-CG2 3.96Å; L75-V103 HydrophobicContact CG-CG2 4.18Å; L75-L106 HydrophobicContact CD2-CD2 4.49Å; L75-L150 HydrophobicContact CD2-CB 3.87Å; L75-L150 HydrophobicContact CD2-CD1 4.08Å
76Y91.7Very high90.7Very high72 Ų7269.7 Ų69.728%0.28233%0.327SS..Hα-helixtrans-54.9-38.3176-78-73.4000113.1H73 K74 K80 V103 D104H73-Y76 WeakPolarHBondContact O-CD2 3.18Å; K74-Y76 VanDerWaalsContact C-N 3.27Å; K74-Y76 PolarHBondContact O-N 3.21Å; Y76-K80 WeakPolarHBondContact O-CB 3.42Å; Y76-K80 PolarHBondContact O-N 2.93Å; Y76-V103 HydrophobicContact CD1-CB 4.34Å; Y76-V103 HydrophobicContact CD1-CG1 3.94Å; Y76-V103 HydrophobicContact CD2-CG1 4.01Å; Y76-V103 HydrophobicContact CE1-CB 3.98Å; Y76-V103 HydrophobicContact CE1-CG1 3.66Å; Y76-V103 HydrophobicContact CE2-CG1 3.73Å; Y76-V103 HydrophobicContact CG-CG1 4.1Å; Y76-D104 VanDerWaalsContact CE1-OD1 3.31Å; Y76-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y76-D104 PolarHBondContact OH-OD1 3.22Å
77A89.7Confident90.4Very high73 Ų7371.2 Ų71.260%0.60333%0.334SS*.Hα-helixtrans-65.8-43.917900000111.5K74 L75 K80 Q81K74-A77 PolarHBondContact O-N 3.32Å; L75-A77 PolarHBondContact O-N 3.02Å; A77-K80 PolarHBondContact O-N 3.49Å; A77-Q81 PolarHBondContact O-N 3.36Å; A77-Q81 VanDerWaalsContact O-N 3.16Å
78Q86.6Confident90.1Very high123 Ų12373.5 Ų73.558%0.57534%0.344SS*.Hα-helixtrans-66.7-42.9178.1-63.2177.15.700111.3L75 K80 Q81 K82L75-Q78 HydrophobicContact CD1-CB 4.38Å; L75-Q78 PolarHBondContact O-N 2.95Å; L75-Q78 VanDerWaalsContact O-N 3.13Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.16Å; Q78-Q81 PolarHBondContact O-N 2.91Å; Q78-K82 PolarHBondContact O-N 3.18Å
79V88.4Confident89.7Confident8 Ų878.6 Ų78.65%0.04837%0.366CS..Hα-helixtrans-63.3-40.4176.1157.30000111.6L75 Q81 K82 M83 L99 V103L75-V79 HydrophobicContact CG-CG2 4.3Å; L75-V79 PolarHBondContact O-N 2.89Å; V79-Q81 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.36Å; V79-M83 HydrophobicContact CG1-CG 4.25Å; V79-M83 HydrophobicContact CG1-SD 3.79Å; V79-M83 WeakPolarHBondContact O-CG 3.3Å; V79-M83 PolarHBondContact O-N 2.9Å; V79-L99 HydrophobicContact CG1-CB 3.62Å; V79-L99 HydrophobicContact CG2-CB 4.48Å; V79-V103 HydrophobicContact CB-CG2 4.23Å; V79-V103 HydrophobicContact CG1-CG2 4.41Å; V79-V103 HydrophobicContact CG2-CG2 3.62Å
80K90.8Very high89.2Confident130 Ų13085 Ų8557%0.56540%0.4SS*.Hα-helixtrans-58.9-48.8175.8-174.9-174.7175.1-167.20111.3Y76 A77 Q78 K82 M83 E84Y76-K80 WeakPolarHBondContact O-CB 3.42Å; Y76-K80 PolarHBondContact O-N 2.93Å; A77-K80 PolarHBondContact O-N 3.49Å; Q78-K80 VanDerWaalsContact C-N 3.34Å; Q78-K80 PolarHBondContact O-N 3.16Å; K80-K82 VanDerWaalsContact C-N 3.3Å; K80-K82 PolarHBondContact O-N 3.48Å; K80-M83 WeakPolarHBondContact O-CB 3.34Å; K80-M83 PolarHBondContact O-N 3.38Å; K80-E84 VanDerWaalsContact CE-OE1 3.27Å; K80-E84 WeakPolarHBondContact CE-OE1 3.2Å; K80-E84 WeakPolarHBondContact O-CG 3.39Å; K80-E84 PolarHBondContact O-N 2.96Å
81Q89.1Confident88.9Confident111 Ų11178.7 Ų78.752%0.51938%0.377SS..Hα-helixtrans-58.9-43.3175.6-177.5-176.2-13.100111.2A77 Q78 V79 M83 E84 E85A77-Q81 PolarHBondContact O-N 3.36Å; A77-Q81 VanDerWaalsContact O-N 3.16Å; Q78-Q81 PolarHBondContact O-N 2.91Å; V79-Q81 PolarHBondContact O-N 2.99Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 3.39Å; Q81-E84 WeakPolarHBondContact O-CB 3.44Å; Q81-E84 PolarHBondContact O-N 2.65Å; Q81-E84 VanDerWaalsContact O-N 3.17Å; Q81-E85 PolarHBondContact NE2-OE1 3.19Å; Q81-E85 WeakPolarHBondContact O-CG 3.37Å; Q81-E85 PolarHBondContact O-N 2.97Å
82K86.3Confident88.9Confident42 Ų4275.9 Ų75.918%0.18337%0.371CS..Hα-helixtrans-65.6-36.9180-163.759.4173.1-179.90112.9Q78 V79 K80 E85 M86 L99Q78-K82 PolarHBondContact O-N 3.18Å; V79-K82 PolarHBondContact O-N 3.36Å; K80-K82 VanDerWaalsContact C-N 3.3Å; K80-K82 PolarHBondContact O-N 3.48Å; K82-E85 WeakPolarHBondContact CD-OE2 3.45Å; K82-E85 IonicContact NZ-OE2 2.65Å; K82-E85 PolarHBondContact NZ-OE2 3.48Å; K82-E85 PolarHBondContact O-N 3.39Å; K82-M86 HydrophobicContact CG-CE 4.16Å; K82-M86 WeakPolarHBondContact O-CB 3.5Å; K82-M86 VanDerWaalsContact O-CG 3.28Å; K82-M86 WeakPolarHBondContact O-CG 3.43Å; K82-M86 PolarHBondContact O-N 3.4Å; K82-L99 HydrophobicContact CB-CD1 4.25Å; K82-L99 HydrophobicContact CG-CD1 4.12Å
83M91Very high88.8Confident19 Ų1983.3 Ų83.39%0.09440%0.399CS..Hα-helixtrans-61.8-44.5172.8-69.9169.966.100110.8V79 K80 Q81 M86 Q87 V96 L99 K100V79-M83 HydrophobicContact CG1-CG 4.25Å; V79-M83 HydrophobicContact CG1-SD 3.79Å; V79-M83 WeakPolarHBondContact O-CG 3.3Å; V79-M83 PolarHBondContact O-N 2.9Å; K80-M83 WeakPolarHBondContact O-CB 3.34Å; K80-M83 PolarHBondContact O-N 3.38Å; Q81-M83 VanDerWaalsContact C-N 3.33Å; Q81-M83 PolarHBondContact O-N 3.39Å; M83-M86 PolarHBondContact O-N 2.93Å; M83-Q87 VanDerWaalsContact O-CG 3.31Å; M83-Q87 WeakPolarHBondContact O-CG 3.46Å; M83-Q87 PolarHBondContact O-N 2.91Å; M83-V96 HydrophobicContact CB-CB 4.11Å; M83-V96 HydrophobicContact CB-CG2 4.04Å; M83-V96 HydrophobicContact CE-CB 4.38Å; M83-V96 HydrophobicContact CE-CG2 3.82Å; M83-V96 HydrophobicContact CG-CB 4.07Å; M83-V96 HydrophobicContact CG-CG2 4.28Å; M83-L99 HydrophobicContact CG-CB 4.12Å; M83-L99 HydrophobicContact CG-CD1 3.88Å; M83-L99 HydrophobicContact SD-CB 4.44Å; M83-K100 HydrophobicContact CE-CB 4.43Å; M83-K100 HydrophobicContact SD-CB 4.03Å
84E91.3Very high88.8Confident89 Ų8984 Ų8442%0.41641%0.406SS..Hα-helixtrans-61.5-44.1176.6-69.2168.1-176.400111.8K80 Q81 Q87 Q88K80-E84 VanDerWaalsContact CE-OE1 3.27Å; K80-E84 WeakPolarHBondContact CE-OE1 3.2Å; K80-E84 WeakPolarHBondContact O-CG 3.39Å; K80-E84 PolarHBondContact O-N 2.96Å; Q81-E84 WeakPolarHBondContact O-CB 3.44Å; Q81-E84 PolarHBondContact O-N 2.65Å; Q81-E84 VanDerWaalsContact O-N 3.17Å; E84-Q87 PolarHBondContact O-N 3.44Å; E84-Q88 WeakPolarHBondContact O-CG 3.23Å; E84-Q88 PolarHBondContact O-N 3.49Å; E84-Q88 VanDerWaalsContact O-N 3.14Å
85E87.4Confident88.7Confident61 Ų6181.1 Ų81.129%0.28539%0.394SS..Hα-helixtrans-58.2-48.7173.3-71.7171.7-164.500111.6Q81 K82 Q87 Q88 H89Q81-E85 PolarHBondContact NE2-OE1 3.19Å; Q81-E85 WeakPolarHBondContact O-CG 3.37Å; Q81-E85 PolarHBondContact O-N 2.97Å; K82-E85 WeakPolarHBondContact CD-OE2 3.45Å; K82-E85 IonicContact NZ-OE2 2.65Å; K82-E85 PolarHBondContact NZ-OE2 3.48Å; K82-E85 PolarHBondContact O-N 3.39Å; E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.08Å; E85-Q88 WeakPolarHBondContact O-CB 3.41Å; E85-Q88 PolarHBondContact O-N 3.38Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; E85-H89 PolarHBondContact O-CD2 3.46Å; E85-H89 PolarHBondContact O-N 2.92Å
86M87.1Confident88.9Confident2 Ų280.5 Ų80.51%0.0139%0.391CS..Hα-helixtrans-61.1-35.6178.8-73.8-175.2176.600112.4K82 M83 Q88 H89 M91 V96 F98 L99 I154 L159 I162K82-M86 HydrophobicContact CG-CE 4.16Å; K82-M86 WeakPolarHBondContact O-CB 3.5Å; K82-M86 VanDerWaalsContact O-CG 3.28Å; K82-M86 WeakPolarHBondContact O-CG 3.43Å; K82-M86 PolarHBondContact O-N 3.4Å; M83-M86 PolarHBondContact O-N 2.93Å; M86-Q88 VanDerWaalsContact C-N 3.35Å; M86-H89 CarbonylContact O-C 3.48Å; M86-H89 PolarHBondContact O-N 3.19Å; M86-H89 VanDerWaalsContact O-N 3.12Å; M86-M91 HydrophobicContact CB-SD 3.89Å; M86-M91 HydrophobicContact CG-SD 4.21Å; M86-M91 WeakPolarHBondContact O-CB 3.37Å; M86-M91 PolarHBondContact O-N 2.94Å; M86-M91 HydrophobicContact SD-SD 4.09Å; M86-V96 HydrophobicContact CB-CG1 3.59Å; M86-V96 HydrophobicContact SD-CG1 4.37Å; M86-F98 HydrophobicContact CE-CZ 4.34Å; M86-F98 HydrophobicContact SD-CE1 4.28Å; M86-F98 HydrophobicContact SD-CZ 4.23Å; M86-L99 HydrophobicContact CE-CD1 3.98Å; M86-L99 HydrophobicContact SD-CD1 3.78Å; M86-I154 HydrophobicContact CE-CG2 4.24Å; M86-L159 HydrophobicContact CE-CD2 3.72Å; M86-L159 HydrophobicContact CG-CD2 3.73Å; M86-L159 HydrophobicContact SD-CD2 4.21Å; M86-I162 HydrophobicContact CE-CD1 4.48Å; M86-I162 HydrophobicContact CE-CG2 3.97Å
87Q89.9Confident89Confident72 Ų7279.5 Ų79.534%0.33639%0.389SS..Hα-helixtrans-67.6-34.1176.1-71-176.9-95.200112.7M83 E84 E85 H89 N90 M91 V96M83-Q87 VanDerWaalsContact O-CG 3.31Å; M83-Q87 WeakPolarHBondContact O-CG 3.46Å; M83-Q87 PolarHBondContact O-N 2.91Å; E84-Q87 PolarHBondContact O-N 3.44Å; E85-Q87 VanDerWaalsContact C-N 3.26Å; E85-Q87 PolarHBondContact O-N 3.08Å; Q87-H89 PolarHBondContact O-N 3.41Å; Q87-N90 PolarHBondContact O-N 3.37Å; Q87-M91 WeakPolarHBondContact CA-O 3.32Å; Q87-V96 HydrophobicContact CG-CG1 4.03Å; Q87-V96 HydrophobicContact CG-CG2 3.9Å
88Q88.9Confident89.2Confident155 Ų15576.3 Ų76.372%0.72436%0.362SS*.Hα-helixtrans-65.3-22.7172.2-66172.79.100112.1E84 E85 M86E84-Q88 WeakPolarHBondContact O-CG 3.23Å; E84-Q88 PolarHBondContact O-N 3.49Å; E84-Q88 VanDerWaalsContact O-N 3.14Å; E85-Q88 WeakPolarHBondContact O-CB 3.41Å; E85-Q88 PolarHBondContact O-N 3.38Å; E85-Q88 VanDerWaalsContact O-N 3.11Å; M86-Q88 VanDerWaalsContact C-N 3.35Å
89H85.6Confident89.5Confident127 Ų12770.5 Ų70.559%0.58833%0.334SS*.THydrogen-bonded Turntrans-96.535176.4-66.2-67.1000113.7E85 M86 Q87 M91 L159E85-H89 PolarHBondContact O-CD2 3.46Å; E85-H89 PolarHBondContact O-N 2.92Å; M86-H89 CarbonylContact O-C 3.48Å; M86-H89 PolarHBondContact O-N 3.19Å; M86-H89 VanDerWaalsContact O-N 3.12Å; Q87-H89 PolarHBondContact O-N 3.41Å; H89-M91 PolarHBondContact O-N 3.07Å; H89-L159 HydrophobicContact CB-CD1 4.04Å
90N85.4Confident89.8Confident163 Ų16374.3 Ų74.387%0.87235%0.35SS*.THydrogen-bonded Turntrans70.115.5174.9-57.4-48.7000116.7Q87Q87-N90 PolarHBondContact O-N 3.37Å
91M87.1Confident90.1Very high25 Ų2572.4 Ų72.412%0.12334%0.342CS..  trans-83.8137.5167.5-64.2-174.46700110.9M86 Q87 H89 E95 V96 F98 L159 K163M86-M91 HydrophobicContact CB-SD 3.89Å; M86-M91 HydrophobicContact CG-SD 4.21Å; M86-M91 WeakPolarHBondContact O-CB 3.37Å; M86-M91 PolarHBondContact O-N 2.94Å; M86-M91 HydrophobicContact SD-SD 4.09Å; Q87-M91 WeakPolarHBondContact CA-O 3.32Å; H89-M91 PolarHBondContact O-N 3.07Å; M91-E95 HydrophobicContact CB-CB 4.37Å; M91-E95 HydrophobicContact CE-CB 3.77Å; M91-V96 HydrophobicContact CB-CG1 3.78Å; M91-V96 HydrophobicContact CE-CG1 4.07Å; M91-V96 HydrophobicContact SD-CG1 4.25Å; M91-F98 HydrophobicContact CE-CE1 4.32Å; M91-L159 HydrophobicContact SD-CB 4.43Å; M91-L159 HydrophobicContact SD-CD1 4.31Å; M91-K163 HydrophobicContact CE-CD 4.46Å
92S90.5Very high90.4Very high51 Ų5167.1 Ų67.136%0.35732%0.317SS..  trans-70.2159.8173.366.20000111.9I94 E95 V96S92-I94 PolarHBondContact O-N 2.83Å; S92-I94 VanDerWaalsContact O-N 3.15Å; S92-E95 WeakPolarHBondContact CB-OE2 3.32Å; S92-E95 PolarHBondContact N-OE2 3.41Å; S92-E95 PolarHBondContact O-N 3.2Å; S92-E95 VanDerWaalsContact OG-CG 3.22Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 3.33Å; S92-E95 PolarHBondContact OG-OE2 3.2Å; S92-V96 PolarHBondContact O-N 2.72Å
93W90.2Very high90.9Very high162 Ų16265.1 Ų65.161%0.61431%0.308SS*.THydrogen-bonded Turntrans-54-34.2174.8175.284.1000113V96 Q97W93-V96 VanDerWaalsContact O-CG2 3.25Å; W93-V96 WeakPolarHBondContact O-CG2 3.45Å; W93-Q97 VanDerWaalsContact CE2-NE2 3.26Å; W93-Q97 WeakPolarHBondContact O-CG 3.38Å; W93-Q97 PolarHBondContact O-NE2 3.03Å
94I90.1Very high91.2Very high127 Ų12766.3 Ų66.365%0.65132%0.315SS*.THydrogen-bonded Turntrans-71.1-40.3178.6-60.4175.5000110.5S92 V96 Q97S92-I94 PolarHBondContact O-N 2.83Å; S92-I94 VanDerWaalsContact O-N 3.15Å; I94-V96 VanDerWaalsContact C-N 3.26Å; I94-V96 PolarHBondContact O-N 3.24Å; I94-Q97 PolarHBondContact O-N 2.91Å
95E87.9Confident91.6Very high78 Ų7862.2 Ų62.236%0.36430%0.297SS..THydrogen-bonded Turntrans-69.4-22.2-175.3-75.6172110.400114.1M91 S92 F98M91-E95 HydrophobicContact CB-CB 4.37Å; M91-E95 HydrophobicContact CE-CB 3.77Å; S92-E95 WeakPolarHBondContact CB-OE2 3.32Å; S92-E95 PolarHBondContact N-OE2 3.41Å; S92-E95 PolarHBondContact O-N 3.2Å; S92-E95 VanDerWaalsContact OG-CG 3.22Å; S92-E95 WeakPolarHBondContact OG-CG 3.43Å; S92-E95 PolarHBondContact OG-N 3.33Å; S92-E95 PolarHBondContact OG-OE2 3.2Å; E95-F98 WeakPolarHBondContact O-CD1 3.41Å
96V91.4Very high92Very high0 Ų059.3 Ų59.30%028%0.283CS..THydrogen-bonded Turntrans-90.8-10.1178.7-61.40000113.7M83 M86 Q87 M91 S92 W93 I94 F98 L99M83-V96 HydrophobicContact CB-CB 4.11Å; M83-V96 HydrophobicContact CB-CG2 4.04Å; M83-V96 HydrophobicContact CE-CB 4.38Å; M83-V96 HydrophobicContact CE-CG2 3.82Å; M83-V96 HydrophobicContact CG-CB 4.07Å; M83-V96 HydrophobicContact CG-CG2 4.28Å; M86-V96 HydrophobicContact CB-CG1 3.59Å; M86-V96 HydrophobicContact SD-CG1 4.37Å; Q87-V96 HydrophobicContact CG-CG1 4.03Å; Q87-V96 HydrophobicContact CG-CG2 3.9Å; M91-V96 HydrophobicContact CB-CG1 3.78Å; M91-V96 HydrophobicContact CE-CG1 4.07Å; M91-V96 HydrophobicContact SD-CG1 4.25Å; S92-V96 PolarHBondContact O-N 2.72Å; W93-V96 VanDerWaalsContact O-CG2 3.25Å; W93-V96 WeakPolarHBondContact O-CG2 3.45Å; I94-V96 VanDerWaalsContact C-N 3.26Å; I94-V96 PolarHBondContact O-N 3.24Å; V96-F98 PolarHBondContact O-N 2.8Å; V96-L99 PolarHBondContact O-N 3.25Å
97Q94Very high92.5Very high51 Ų5159.8 Ų59.824%0.23829%0.286CS..Hα-helixtrans-61.3-19.2-177.8-66.1-53.4-54.700114.1W93 I94 L99 K100 K101W93-Q97 VanDerWaalsContact CE2-NE2 3.26Å; W93-Q97 WeakPolarHBondContact O-CG 3.38Å; W93-Q97 PolarHBondContact O-NE2 3.03Å; I94-Q97 PolarHBondContact O-N 2.91Å; Q97-L99 PolarHBondContact O-N 3.4Å; Q97-K100 PolarHBondContact O-N 2.98Å; Q97-K101 PolarHBondContact O-N 3.24Å
98F93.3Very high93Very high7 Ų760.2 Ų60.23%0.03129%0.288CS..Hα-helixtrans-60-31.8178.677.9-81.7000112.7M86 M91 E95 V96 K101 A102 I162 K163 V166 Q167 Y170M86-F98 HydrophobicContact CE-CZ 4.34Å; M86-F98 HydrophobicContact SD-CE1 4.28Å; M86-F98 HydrophobicContact SD-CZ 4.23Å; M91-F98 HydrophobicContact CE-CE1 4.32Å; E95-F98 WeakPolarHBondContact O-CD1 3.41Å; V96-F98 PolarHBondContact O-N 2.8Å; F98-K101 PolarHBondContact O-N 3.21Å; F98-A102 WeakPolarHBondContact O-CB 3.33Å; F98-A102 PolarHBondContact O-N 3.18Å; F98-I162 HydrophobicContact CE2-CG2 4.23Å; F98-I162 HydrophobicContact CZ-CG2 4.16Å; F98-K163 HydrophobicContact CD1-CG 4.14Å; F98-K163 HydrophobicContact CE1-CB 4.22Å; F98-K163 HydrophobicContact CE1-CG 4.12Å; F98-K163 HydrophobicContact CE2-CB 4.33Å; F98-K163 HydrophobicContact CG-CG 4.34Å; F98-K163 HydrophobicContact CZ-CB 4.02Å; F98-K163 HydrophobicContact CZ-CG 4.33Å; F98-V166 HydrophobicContact CD2-CB 3.72Å; F98-V166 HydrophobicContact CD2-CG1 3.6Å; F98-V166 HydrophobicContact CD2-CG2 4.45Å; F98-V166 HydrophobicContact CE2-CB 3.67Å; F98-V166 HydrophobicContact CE2-CG1 3.9Å; F98-V166 HydrophobicContact CE2-CG2 3.93Å; F98-Q167 HydrophobicContact CB-CG 4.02Å; F98-Q167 HydrophobicContact CD2-CG 4.42Å; F98-Q167 HydrophobicContact CG-CG 4.46Å; F98-Y170 HydrophobicContact CB-CE1 4.33Å
99L93Very high93.4Very high0 Ų052.9 Ų52.90%025%0.254CS..Hα-helixtrans-67.5-48.3178-70.6173.2000110.9V79 K82 M83 M86 V96 Q97 K101 A102 V103 I154 V166V79-L99 HydrophobicContact CG1-CB 3.62Å; V79-L99 HydrophobicContact CG2-CB 4.48Å; K82-L99 HydrophobicContact CB-CD1 4.25Å; K82-L99 HydrophobicContact CG-CD1 4.12Å; M83-L99 HydrophobicContact CG-CB 4.12Å; M83-L99 HydrophobicContact CG-CD1 3.88Å; M83-L99 HydrophobicContact SD-CB 4.44Å; M86-L99 HydrophobicContact CE-CD1 3.98Å; M86-L99 HydrophobicContact SD-CD1 3.78Å; V96-L99 PolarHBondContact O-N 3.25Å; Q97-L99 PolarHBondContact O-N 3.4Å; L99-K101 VanDerWaalsContact C-N 3.32Å; L99-K101 PolarHBondContact O-N 3.35Å; L99-A102 WeakPolarHBondContact O-CB 3.34Å; L99-A102 PolarHBondContact O-N 3.36Å; L99-A102 VanDerWaalsContact O-N 3.15Å; L99-V103 PolarHBondContact O-N 2.95Å; L99-V103 VanDerWaalsContact O-N 3.14Å; L99-I154 HydrophobicContact CD2-CD1 4.07Å; L99-V166 HydrophobicContact CD2-CG2 4.35Å
100K94.9Very high94Very high89 Ų8946.9 Ų46.939%0.38723%0.226SC..Hα-helixtrans-58.8-46.2174.7-179.6174.1176.4-62.60110.8M83 Q97 A102 V103 D104M83-K100 HydrophobicContact CE-CB 4.43Å; M83-K100 HydrophobicContact SD-CB 4.03Å; Q97-K100 PolarHBondContact O-N 2.98Å; K100-A102 VanDerWaalsContact C-N 3.26Å; K100-A102 PolarHBondContact O-N 3.06Å; K100-V103 PolarHBondContact O-N 2.99Å; K100-D104 IonicContact NZ-OD1 3.85Å; K100-D104 IonicContact NZ-OD2 3.64Å; K100-D104 PolarHBondContact NZ-OD2 2.65Å; K100-D104 VanDerWaalsContact O-CG 3.26Å; K100-D104 PolarHBondContact O-N 3.33Å
101K96.9Very high94.6Very high89 Ų8940.6 Ų40.639%0.38720%0.197SC..Hα-helixtrans-59.4-37.4177-176.1167.2-179.9171.90112.2Q97 F98 L99 D104 V105 Y170Q97-K101 PolarHBondContact O-N 3.24Å; F98-K101 PolarHBondContact O-N 3.21Å; L99-K101 VanDerWaalsContact C-N 3.32Å; L99-K101 PolarHBondContact O-N 3.35Å; K101-D104 PolarHBondContact O-N 2.89Å; K101-V105 HydrophobicContact CG-CG2 4.44Å; K101-V105 VanDerWaalsContact O-CG2 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.15Å; K101-V105 PolarHBondContact O-N 3.45Å; K101-Y170 HydrophobicContact CD-CE2 3.91Å; K101-Y170 HydrophobicContact CG-CD2 4.44Å; K101-Y170 HydrophobicContact CG-CE2 4.13Å
102A96.3Very high95.1Very high0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-63.5-43.6176.800000112.2F98 L99 K100 V105 L106 L146 L150 V166 Y170F98-A102 WeakPolarHBondContact O-CB 3.33Å; F98-A102 PolarHBondContact O-N 3.18Å; L99-A102 WeakPolarHBondContact O-CB 3.34Å; L99-A102 PolarHBondContact O-N 3.36Å; L99-A102 VanDerWaalsContact O-N 3.15Å; K100-A102 VanDerWaalsContact C-N 3.26Å; K100-A102 PolarHBondContact O-N 3.06Å; A102-V105 PolarHBondContact O-N 2.91Å; A102-L106 WeakPolarHBondContact O-CB 3.39Å; A102-L106 PolarHBondContact O-N 3.36Å; A102-L146 HydrophobicContact CB-CD1 4.41Å; A102-L150 HydrophobicContact CB-CD1 4.15Å; A102-L150 HydrophobicContact CB-CD2 4.24Å; A102-V166 HydrophobicContact CB-CG1 3.4Å; A102-V166 VanDerWaalsContact CB-CG1 3.4Å; A102-Y170 HydrophobicContact CB-CD1 3.82Å; A102-Y170 HydrophobicContact CB-CG 4.34Å
103V96.4Very high95.5Very high0 Ų037.7 Ų37.70%018%0.178CC..Hα-helixtrans-66.9-41.8175.2-174.70000111.3L75 Y76 V79 L99 K100 V105 L106 C107 L150L75-V103 HydrophobicContact CB-CG1 4.5Å; L75-V103 HydrophobicContact CD2-CG2 3.96Å; L75-V103 HydrophobicContact CG-CG2 4.18Å; Y76-V103 HydrophobicContact CD1-CB 4.34Å; Y76-V103 HydrophobicContact CD1-CG1 3.94Å; Y76-V103 HydrophobicContact CD2-CG1 4.01Å; Y76-V103 HydrophobicContact CE1-CB 3.98Å; Y76-V103 HydrophobicContact CE1-CG1 3.66Å; Y76-V103 HydrophobicContact CE2-CG1 3.73Å; Y76-V103 HydrophobicContact CG-CG1 4.1Å; V79-V103 HydrophobicContact CB-CG2 4.23Å; V79-V103 HydrophobicContact CG1-CG2 4.41Å; V79-V103 HydrophobicContact CG2-CG2 3.62Å; L99-V103 PolarHBondContact O-N 2.95Å; L99-V103 VanDerWaalsContact O-N 3.14Å; K100-V103 PolarHBondContact O-N 2.99Å; V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 2.82Å; V103-L106 PolarHBondContact O-N 3.29Å; V103-C107 PolarHBondContact O-N 2.91Å; V103-C107 PolarHBondContact O-SG 3.3Å; V103-L150 HydrophobicContact CG2-CD1 4.3Å
104D98Very high95.9Very high44 Ų4430.5 Ų30.524%0.23515%0.151CC..Hα-helixtrans-56.6-47175.9-68.6-24.4000110.3Y76 K100 K101 Q108Y76-D104 VanDerWaalsContact CE1-OD1 3.31Å; Y76-D104 WeakPolarHBondContact CE1-OD1 3.39Å; Y76-D104 PolarHBondContact OH-OD1 3.22Å; K100-D104 IonicContact NZ-OD1 3.85Å; K100-D104 IonicContact NZ-OD2 3.64Å; K100-D104 PolarHBondContact NZ-OD2 2.65Å; K100-D104 VanDerWaalsContact O-CG 3.26Å; K100-D104 PolarHBondContact O-N 3.33Å; K101-D104 PolarHBondContact O-N 2.89Å; D104-Q108 VanDerWaalsContact O-CG 3.3Å; D104-Q108 WeakPolarHBondContact O-CG 3.26Å; D104-Q108 PolarHBondContact O-N 3Å; D104-Q108 VanDerWaalsContact O-N 3.11Å
105V98.3Very high96.3Very high4 Ų431.3 Ų31.32%0.02415%0.148CC..Hα-helixtrans-65.3-43.1177169.50000111.7K101 A102 V103 C107 Q108 C109 Y170 C173 E174K101-V105 HydrophobicContact CG-CG2 4.44Å; K101-V105 VanDerWaalsContact O-CG2 3.31Å; K101-V105 WeakPolarHBondContact O-CG2 3.15Å; K101-V105 PolarHBondContact O-N 3.45Å; A102-V105 PolarHBondContact O-N 2.91Å; V103-V105 VanDerWaalsContact C-N 3.32Å; V103-V105 PolarHBondContact O-N 2.82Å; V105-C107 VanDerWaalsContact C-N 3.34Å; V105-C107 PolarHBondContact O-N 3.47Å; V105-Q108 PolarHBondContact O-N 3.12Å; V105-Q108 VanDerWaalsContact O-N 3.17Å; V105-C109 PolarHBondContact O-N 2.93Å; V105-C109 PolarHBondContact O-SG 2.89Å; V105-C109 VanDerWaalsContact O-SG 3.42Å; V105-Y170 HydrophobicContact CG2-CD2 4.18Å; V105-C173 HydrophobicContact CG1-CB 3.89Å; V105-E174 HydrophobicContact CG1-CB 4.29Å
106L97.4Very high96.7Very high0 Ų028 Ų280%013%0.133CC..Hα-helixtrans-57.3-48178.1-179.756.5000111.1E72 L75 A102 V103 Q108 C109 R110 T143 L146 L150E72-L106 HydrophobicContact CG-CD2 3.77Å; E72-L106 HydrophobicContact CG-CG 3.94Å; L75-L106 HydrophobicContact CD2-CD2 4.49Å; A102-L106 WeakPolarHBondContact O-CB 3.39Å; A102-L106 PolarHBondContact O-N 3.36Å; V103-L106 PolarHBondContact O-N 3.29Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 2.78Å; L106-C109 PolarHBondContact O-N 3.02Å; L106-R110 HydrophobicContact CD1-CG 4.45Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.43Å; L106-R110 PolarHBondContact O-N 2.86Å; L106-T143 HydrophobicContact CD1-CG2 3.59Å; L106-L146 HydrophobicContact CB-CD2 3.99Å; L106-L146 HydrophobicContact CD1-CD2 4.4Å; L106-L150 HydrophobicContact CD2-CD1 4.02Å
107C98Very high97Very high12 Ų1228 Ų288%0.08113%0.133CC..Hα-helixtrans-60.1-42.3176.5-63.70000111.7L69 V103 V105 R110 A111L69-C107 HydrophobicContact CD1-CB 3.7Å; V103-C107 PolarHBondContact O-N 2.91Å; V103-C107 PolarHBondContact O-SG 3.3Å; V105-C107 VanDerWaalsContact C-N 3.34Å; V105-C107 PolarHBondContact O-N 3.47Å; C107-R110 PolarHBondContact O-N 2.92Å; C107-A111 WeakPolarHBondContact O-CB 3.18Å; C107-A111 PolarHBondContact O-N 3.36Å
108Q98.5Very high97.2Very high81 Ų8128.7 Ų28.738%0.37914%0.14SC..Hα-helixtrans-65.3-40.6177.7-7217422.400112.6D104 V105 L106 R110 T112 R177D104-Q108 VanDerWaalsContact O-CG 3.3Å; D104-Q108 WeakPolarHBondContact O-CG 3.26Å; D104-Q108 PolarHBondContact O-N 3Å; D104-Q108 VanDerWaalsContact O-N 3.11Å; V105-Q108 PolarHBondContact O-N 3.12Å; V105-Q108 VanDerWaalsContact O-N 3.17Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 2.78Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; Q108-T112 WeakPolarHBondContact O-CB 3.46Å; Q108-T112 PolarHBondContact O-N 3.41Å; Q108-T112 PolarHBondContact O-OG1 3.47Å; Q108-R177 VanDerWaalsContact OE1-NH2 3.1Å
109C98.4Very high97.4Very high0 Ų029.6 Ų29.60%014%0.144CC..Hα-helixtrans-63-42.7176.2-73.30000111.1V105 L106 T112 L113 L139 T143V105-C109 PolarHBondContact O-N 2.93Å; V105-C109 PolarHBondContact O-SG 2.89Å; V105-C109 VanDerWaalsContact O-SG 3.42Å; L106-C109 PolarHBondContact O-N 3.02Å; C109-T112 WeakPolarHBondContact O-CB 3.27Å; C109-T112 PolarHBondContact O-N 3.45Å; C109-L113 WeakPolarHBondContact O-CB 3.41Å; C109-L113 VanDerWaalsContact O-CG 3.3Å; C109-L113 WeakPolarHBondContact O-CG 3.25Å; C109-L113 PolarHBondContact O-N 3.13Å; C109-L139 HydrophobicContact CB-CD1 4.23Å; C109-T143 HydrophobicContact CB-CG2 4.04Å; C109-T143 WeakPolarHBondContact CB-OG1 3.48Å
110R97.8Very high97.6Very high2 Ų229.6 Ų29.61%0.00814%0.144CC..Hα-helixtrans-63.8-48.2177.9-71-90.5-165.9-143.3-2.1112.8H65 L69 E72 L106 C107 Q108 T112 L113 M114 T143 E144H65-R110 PolarHBondContact CE1-NH1 2.97Å; H65-R110 VanDerWaalsContact CE1-NH1 3.28Å; H65-R110 WeakPolarHBondContact ND1-CD 3.23Å; H65-R110 PolarHBondContact ND1-NH1 3.26Å; L69-R110 HydrophobicContact CB-CB 4.35Å; L69-R110 HydrophobicContact CD1-CB 4.23Å; E72-R110 VanDerWaalsContact OE1-CD 3.27Å; E72-R110 WeakPolarHBondContact OE1-CD 3.11Å; E72-R110 WeakPolarHBondContact OE1-CG 3.29Å; E72-R110 IonicContact OE1-CZ 3.29Å; E72-R110 IonicContact OE1-NE 3.05Å; E72-R110 PolarHBondContact OE1-NE 2.92Å; E72-R110 IonicContact OE1-NH2 2.86Å; E72-R110 WeakPolarHBondContact OE2-CG 3.48Å; E72-R110 IonicContact OE2-NE 3.88Å; L106-R110 HydrophobicContact CD1-CG 4.45Å; L106-R110 VanDerWaalsContact O-CG 3.23Å; L106-R110 WeakPolarHBondContact O-CG 3.43Å; L106-R110 PolarHBondContact O-N 2.86Å; C107-R110 PolarHBondContact O-N 2.92Å; Q108-R110 VanDerWaalsContact C-N 3.34Å; R110-T112 VanDerWaalsContact C-N 3.29Å; R110-T112 PolarHBondContact O-N 2.91Å; R110-L113 PolarHBondContact O-N 3.33Å; R110-M114 WeakPolarHBondContact O-CG 3.44Å; R110-M114 PolarHBondContact O-N 2.87Å; R110-T143 HydrophobicContact CG-CG2 3.86Å; R110-E144 IonicContact CZ-OE1 3.02Å; R110-E144 IonicContact CZ-OE2 2.92Å; R110-E144 IonicContact NH1-OE1 3.8Å; R110-E144 PolarHBondContact NH1-OE1 3.48Å; R110-E144 IonicContact NH1-OE2 3.54Å; R110-E144 IonicContact NH2-OE1 3.23Å; R110-E144 PolarHBondContact NH2-OE1 3.26Å; R110-E144 IonicContact NH2-OE2 3.56Å; R110-E144 PolarHBondContact NH2-OE2 3.42Å
111A98.3Very high97.6Very high30 Ų3027.8 Ų27.825%0.24814%0.136CC..Hα-helixtrans-59.2-41.6173.100000111.6L69 C107 M114 Y115L69-A111 HydrophobicContact CD2-CB 4.43Å; C107-A111 WeakPolarHBondContact O-CB 3.18Å; C107-A111 PolarHBondContact O-N 3.36Å; A111-M114 WeakPolarHBondContact O-CB 3.49Å; A111-M114 PolarHBondContact O-N 3.16Å; A111-Y115 WeakPolarHBondContact O-CD2 3.38Å; A111-Y115 PolarHBondContact O-N 3.25Å
112T98.5Very high97.5Very high16 Ų1629.6 Ų29.610%0.09814%0.142CC..Hα-helixtrans-61.9-49.6175.5-57.10000110.6Q108 C109 R110 M114 Y115 T116 L139 R177 L181Q108-T112 WeakPolarHBondContact O-CB 3.46Å; Q108-T112 PolarHBondContact O-N 3.41Å; Q108-T112 PolarHBondContact O-OG1 3.47Å; C109-T112 WeakPolarHBondContact O-CB 3.27Å; C109-T112 PolarHBondContact O-N 3.45Å; R110-T112 VanDerWaalsContact C-N 3.29Å; R110-T112 PolarHBondContact O-N 2.91Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 3.49Å; T112-Y115 PolarHBondContact O-N 3.42Å; T112-Y115 VanDerWaalsContact O-N 3.16Å; T112-T116 HydrophobicContact CG2-CG2 3.96Å; T112-T116 WeakPolarHBondContact O-CG2 3.49Å; T112-T116 PolarHBondContact O-N 3.23Å; T112-L139 HydrophobicContact CG2-CD2 4.27Å; T112-R177 HydrophobicContact CG2-CG 4.07Å; T112-R177 WeakPolarHBondContact OG1-CD 3.35Å; T112-R177 PolarHBondContact OG1-NH1 2.81Å; T112-L181 HydrophobicContact CG2-CD2 3.99Å; T112-L181 HydrophobicContact CG2-CG 4.29Å
113L98.1Very high97.5Very high0 Ų030 Ų300%014%0.144CC..Hα-helixtrans-58.2-42.4-179.9-75.4163.9000112.1H65 C109 R110 Y115 T116 Y117 Q136 L139 E140 T143H65-L113 VanDerWaalsContact CE1-CD1 3.49Å; H65-L113 WeakPolarHBondContact CE1-CD1 3.25Å; C109-L113 WeakPolarHBondContact O-CB 3.41Å; C109-L113 VanDerWaalsContact O-CG 3.3Å; C109-L113 WeakPolarHBondContact O-CG 3.25Å; C109-L113 PolarHBondContact O-N 3.13Å; R110-L113 PolarHBondContact O-N 3.33Å; L113-Y115 PolarHBondContact O-N 2.9Å; L113-T116 VanDerWaalsContact CA-OG1 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.46Å; L113-T116 PolarHBondContact O-N 3.11Å; L113-T116 VanDerWaalsContact O-N 3.16Å; L113-T116 PolarHBondContact O-OG1 3.18Å; L113-Y117 WeakPolarHBondContact O-CD2 3.48Å; L113-Y117 PolarHBondContact O-N 2.86Å; L113-Q136 HydrophobicContact CD2-CG 4.06Å; L113-L139 HydrophobicContact CD1-CG 4.39Å; L113-L139 HydrophobicContact CD2-CB 4.39Å; L113-L139 HydrophobicContact CD2-CD2 4Å; L113-L139 HydrophobicContact CD2-CG 4.07Å; L113-L139 HydrophobicContact CG-CD2 4.06Å; L113-L139 HydrophobicContact CG-CG 4.2Å; L113-E140 HydrophobicContact CD1-CB 4.13Å; L113-E140 HydrophobicContact CD1-CG 4.23Å; L113-E140 HydrophobicContact CD2-CB 3.96Å; L113-T143 HydrophobicContact CD1-CG2 4.12Å
114M98.1Very high97.4Very high10 Ų1034.9 Ų34.95%0.04917%0.165CC..Hα-helixtrans-48-57.9172.8-71.5168.25800111.2Y62 H65 M66 L69 R110 A111 T112 T116 Y117 V118Y62-M114 HydrophobicContact CD2-CB 3.72Å; Y62-M114 HydrophobicContact CD2-CE 4.37Å; Y62-M114 HydrophobicContact CD2-CG 4.37Å; Y62-M114 WeakPolarHBondContact CD2-O 3.31Å; Y62-M114 HydrophobicContact CE1-CE 4.08Å; Y62-M114 HydrophobicContact CE2-CB 3.75Å; Y62-M114 HydrophobicContact CE2-CE 3.58Å; Y62-M114 HydrophobicContact CE2-CG 4.4Å; Y62-M114 VanDerWaalsContact OH-CE 3.32Å; Y62-M114 WeakPolarHBondContact OH-CE 3.37Å; H65-M114 HydrophobicContact CB-CG 3.47Å; H65-M114 VanDerWaalsContact CB-CG 3.47Å; M66-M114 HydrophobicContact CB-CE 3.8Å; M66-M114 HydrophobicContact CB-SD 4Å; M66-M114 HydrophobicContact CG-CE 3.97Å; M66-M114 HydrophobicContact CG-SD 4.49Å; L69-M114 HydrophobicContact CD2-SD 4.08Å; R110-M114 WeakPolarHBondContact O-CG 3.44Å; R110-M114 PolarHBondContact O-N 2.87Å; A111-M114 WeakPolarHBondContact O-CB 3.49Å; A111-M114 PolarHBondContact O-N 3.16Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 3.49Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-T116 PolarHBondContact O-N 3.4Å; M114-Y117 PolarHBondContact O-N 3.33Å; M114-V118 PolarHBondContact O-N 3.37Å
115Y98.1Very high97.1Very high145 Ų14537.4 Ų37.457%0.56917%0.174SC*.Hα-helixtrans-72.2-25.4-176.5-61-62.7000113.4Y62 A111 T112 L113 Y117 V118 F119Y62-Y115 HydrophobicContact CE2-CE1 4.42Å; A111-Y115 WeakPolarHBondContact O-CD2 3.38Å; A111-Y115 PolarHBondContact O-N 3.25Å; T112-Y115 PolarHBondContact O-N 3.42Å; T112-Y115 VanDerWaalsContact O-N 3.16Å; L113-Y115 PolarHBondContact O-N 2.9Å; Y115-Y117 VanDerWaalsContact C-N 3.28Å; Y115-Y117 PolarHBondContact O-N 2.88Å; Y115-V118 PolarHBondContact O-N 3.27Å; Y115-F119 PolarHBondContact O-N 3.36Å
116T97.9Very high96.9Very high9 Ų938.6 Ų38.66%0.05518%0.18CC..Hα-helixtrans-65.6-31.4173.767.60000112.1T112 L113 M114 F119 A120 F132 Q136 L180T112-T116 HydrophobicContact CG2-CG2 3.96Å; T112-T116 WeakPolarHBondContact O-CG2 3.49Å; T112-T116 PolarHBondContact O-N 3.23Å; L113-T116 VanDerWaalsContact CA-OG1 3.29Å; L113-T116 WeakPolarHBondContact CA-OG1 3.46Å; L113-T116 PolarHBondContact O-N 3.11Å; L113-T116 VanDerWaalsContact O-N 3.16Å; L113-T116 PolarHBondContact O-OG1 3.18Å; M114-T116 VanDerWaalsContact C-N 3.32Å; M114-T116 PolarHBondContact O-N 3.4Å; T116-F119 PolarHBondContact O-N 2.95Å; T116-A120 VanDerWaalsContact O-CB 3.25Å; T116-A120 WeakPolarHBondContact O-CB 3.44Å; T116-A120 PolarHBondContact O-N 2.88Å; T116-F132 HydrophobicContact CG2-CZ 4.29Å; T116-Q136 VanDerWaalsContact C-NE2 3.31Å; T116-Q136 VanDerWaalsContact CB-NE2 3.33Å; T116-Q136 PolarHBondContact O-NE2 3.33Å; T116-Q136 PolarHBondContact OG1-NE2 2.67Å; T116-L180 HydrophobicContact CG2-CD2 3.55Å; T116-L180 HydrophobicContact CG2-CG 4.39Å
117Y97.4Very high96.8Very high0 Ų044.6 Ų44.60%021%0.212CC..Hα-helixtrans-73.5-33.6173.8-75.5-65.6000112.8Y58 R61 H65 L113 M114 Y115 F121 Q136 E140Y58-Y117 AromaticContact CD1-CD1 3.89Å; Y58-Y117 HydrophobicContact CD1-CD1 3.89Å; Y58-Y117 WeakPolarHBondContact CD1-O 3.36Å; Y58-Y117 HydrophobicContact CE1-CD1 4.34Å; R61-Y117 HydrophobicContact CB-CD1 3.84Å; R61-Y117 HydrophobicContact CB-CD2 3.66Å; R61-Y117 HydrophobicContact CB-CE1 3.94Å; R61-Y117 HydrophobicContact CB-CE2 3.75Å; R61-Y117 HydrophobicContact CB-CG 3.7Å; R61-Y117 HydrophobicContact CG-CD1 4.43Å; R61-Y117 HydrophobicContact CG-CE1 4.15Å; R61-Y117 HydrophobicContact CG-CE2 4.45Å; H65-Y117 AromaticContact CD2-CD2 3.92Å; H65-Y117 AromaticContact CD2-CE2 3.58Å; H65-Y117 AromaticContact NE2-CE2 3.55Å; L113-Y117 WeakPolarHBondContact O-CD2 3.48Å; L113-Y117 PolarHBondContact O-N 2.86Å; M114-Y117 PolarHBondContact O-N 3.33Å; Y115-Y117 VanDerWaalsContact C-N 3.28Å; Y115-Y117 PolarHBondContact O-N 2.88Å; Y117-F121 PolarHBondContact O-N 3.28Å; Y117-F121 VanDerWaalsContact O-N 3.08Å; Y117-Q136 VanDerWaalsContact CE1-OE1 3.28Å; Y117-E140 PolarHBondContact OH-OE2 3.16Å
118V97.4Very high96.8Very high65 Ų6546.5 Ų46.539%0.39422%0.22SC..Hα-helixtrans-63.8-45.7170.9-177.40000110Y62 M114 Y115 F121 Y122Y62-V118 HydrophobicContact CD2-CG2 3.73Å; Y62-V118 HydrophobicContact CE2-CG2 4.15Å; M114-V118 PolarHBondContact O-N 3.37Å; Y115-V118 PolarHBondContact O-N 3.27Å; V118-F121 WeakPolarHBondContact O-CB 3.34Å; V118-F121 PolarHBondContact O-N 2.92Å; V118-Y122 HydrophobicContact CG1-CE2 4.34Å; V118-Y122 VanDerWaalsContact O-CD2 3.27Å; V118-Y122 WeakPolarHBondContact O-CD2 3.44Å
119F97.5Very high96.6Very high26 Ų2642.8 Ų42.811%0.11420%0.203CC..Hα-helixtrans-61-49.4176.3-179.4-116000111.8Y115 T116 F121 Y122 L123 F132 V184 Y188 W193 Y195Y115-F119 PolarHBondContact O-N 3.36Å; T116-F119 PolarHBondContact O-N 2.95Å; F119-F121 PolarHBondContact O-N 3.23Å; F119-Y122 PolarHBondContact O-N 2.86Å; F119-Y122 VanDerWaalsContact O-N 3.11Å; F119-L123 HydrophobicContact CD1-CD1 3.99Å; F119-L123 HydrophobicContact CD1-CG 4.38Å; F119-L123 HydrophobicContact CE1-CD1 3.68Å; F119-L123 HydrophobicContact CE1-CD2 4.03Å; F119-L123 HydrophobicContact CE1-CG 4.16Å; F119-L123 HydrophobicContact CE2-CD2 4.06Å; F119-L123 HydrophobicContact CZ-CD1 4.26Å; F119-L123 HydrophobicContact CZ-CD2 3.72Å; F119-L123 HydrophobicContact CZ-CG 4.33Å; F119-L123 PolarHBondContact O-N 2.65Å; F119-F132 HydrophobicContact CD1-CD2 4.18Å; F119-F132 HydrophobicContact CD1-CE1 4.07Å; F119-F132 AromaticContact CD1-CE2 3.57Å; F119-F132 HydrophobicContact CD1-CE2 3.57Å; F119-F132 AromaticContact CD1-CZ 3.51Å; F119-F132 HydrophobicContact CD1-CZ 3.51Å; F119-F132 HydrophobicContact CE1-CD2 4.01Å; F119-F132 AromaticContact CE1-CE2 3.84Å; F119-F132 HydrophobicContact CE1-CE2 3.84Å; F119-F132 HydrophobicContact CE1-CG 4.45Å; F119-F132 HydrophobicContact CE1-CZ 4.17Å; F119-V184 HydrophobicContact CD1-CG2 4.43Å; F119-V184 HydrophobicContact CE1-CG1 4.46Å; F119-V184 HydrophobicContact CE1-CG2 4.07Å; F119-V184 HydrophobicContact CZ-CG1 4.4Å; F119-Y188 AromaticContact CE2-CZ 3.98Å; F119-Y188 VanDerWaalsContact CE2-OH 3.25Å; F119-Y188 WeakPolarHBondContact CE2-OH 3.35Å; F119-W193 HydrophobicContact CE1-CD2 4.29Å; F119-W193 HydrophobicContact CE1-CE3 4.34Å; F119-W193 HydrophobicContact CE1-CH2 4.35Å; F119-W193 HydrophobicContact CE1-CZ2 4.28Å; F119-W193 HydrophobicContact CE1-CZ3 4.36Å; F119-W193 AromaticContact CZ-CD2 3.65Å; F119-W193 HydrophobicContact CZ-CD2 3.65Å; F119-W193 AromaticContact CZ-CE2 3.69Å; F119-W193 HydrophobicContact CZ-CE3 4.06Å; F119-W193 AromaticContact CZ-CG 3.96Å; F119-W193 HydrophobicContact CZ-CG 3.96Å; F119-W193 HydrophobicContact CZ-CZ2 4.24Å; F119-W193 HydrophobicContact CZ-CZ3 4.5Å; F119-W193 AromaticContact CZ-NE1 3.87Å; F119-Y195 HydrophobicContact CE2-CE1 4.2Å
120A96.7Very high96.5Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-58.4-33.4179.300000113.7R54 Y58 T116 Y122 L123 F132R54-A120 PolarHBondContact NH2-O 3.23Å; Y58-A120 HydrophobicContact CD1-CB 3.97Å; Y58-A120 HydrophobicContact CE1-CB 3.38Å; T116-A120 VanDerWaalsContact O-CB 3.25Å; T116-A120 WeakPolarHBondContact O-CB 3.44Å; T116-A120 PolarHBondContact O-N 2.88Å; A120-Y122 PolarHBondContact O-N 2.6Å; A120-L123 PolarHBondContact O-N 2.88Å; A120-F132 HydrophobicContact CB-CE1 3.92Å
121F95.5Very high96.4Very high50 Ų5048.6 Ų48.622%0.21923%0.233CC..Hα-helixtrans-55.9-38.5177171.3-94.5000112.1R54 Y58 Y117 V118 F119R54-F121 HydrophobicContact CB-CE2 4.45Å; R54-F121 HydrophobicContact CG-CD2 4.01Å; R54-F121 HydrophobicContact CG-CE2 4.01Å; R54-F121 VanDerWaalsContact CZ-O 3.27Å; R54-F121 PolarHBondContact NE-O 3.07Å; R54-F121 PolarHBondContact NH2-O 2.87Å; Y58-F121 HydrophobicContact CD1-CB 4.34Å; Y58-F121 HydrophobicContact CD2-CB 3.88Å; Y58-F121 AromaticContact CD2-CD2 3.73Å; Y58-F121 HydrophobicContact CD2-CD2 3.73Å; Y58-F121 HydrophobicContact CD2-CG 4.3Å; Y58-F121 HydrophobicContact CE2-CB 4.44Å; Y58-F121 HydrophobicContact CE2-CD2 4.48Å; Y58-F121 HydrophobicContact CG-CB 3.81Å; Y58-F121 HydrophobicContact CG-CD2 4.27Å; Y117-F121 PolarHBondContact O-N 3.28Å; Y117-F121 VanDerWaalsContact O-N 3.08Å; V118-F121 WeakPolarHBondContact O-CB 3.34Å; V118-F121 PolarHBondContact O-N 2.92Å; F119-F121 PolarHBondContact O-N 3.23Å
122Y95.3Very high96.4Very high128 Ų12847.2 Ų47.250%0.50222%0.221SC..Hα-helixtrans-87.2-13.6-177.9-67.2-76.5000114.1V118 F119 A120 Y195 I196V118-Y122 HydrophobicContact CG1-CE2 4.34Å; V118-Y122 VanDerWaalsContact O-CD2 3.27Å; V118-Y122 WeakPolarHBondContact O-CD2 3.44Å; F119-Y122 PolarHBondContact O-N 2.86Å; F119-Y122 VanDerWaalsContact O-N 3.11Å; A120-Y122 PolarHBondContact O-N 2.6Å; Y122-Y195 CarbonylContact O-C 3.51Å; Y122-Y195 VanDerWaalsContact O-CA 3.23Å; Y122-Y195 WeakPolarHBondContact O-CA 2.78Å; Y122-I196 PolarHBondContact O-N 2.95Å
123L95.4Very high96.3Very high9 Ų947.1 Ų47.15%0.04722%0.22CC..BIsolated β-bridgetrans-72.2133.4-176.8-67.4-177000112R54 F119 A120 F132 W193 Y195R54-L123 PolarHBondContact NH2-O 3.39Å; F119-L123 HydrophobicContact CD1-CD1 3.99Å; F119-L123 HydrophobicContact CD1-CG 4.38Å; F119-L123 HydrophobicContact CE1-CD1 3.68Å; F119-L123 HydrophobicContact CE1-CD2 4.03Å; F119-L123 HydrophobicContact CE1-CG 4.16Å; F119-L123 HydrophobicContact CE2-CD2 4.06Å; F119-L123 HydrophobicContact CZ-CD1 4.26Å; F119-L123 HydrophobicContact CZ-CD2 3.72Å; F119-L123 HydrophobicContact CZ-CG 4.33Å; F119-L123 PolarHBondContact O-N 2.65Å; A120-L123 PolarHBondContact O-N 2.88Å; L123-F132 HydrophobicContact CD1-CD1 3.96Å; L123-F132 HydrophobicContact CD1-CE1 4.4Å; L123-F132 HydrophobicContact CD1-CG 4.34Å; L123-W193 HydrophobicContact CD1-CE3 4.17Å; L123-W193 HydrophobicContact CD1-CZ3 4.08Å; L123-W193 HydrophobicContact CD2-CB 4.4Å; L123-W193 HydrophobicContact CD2-CD2 4.24Å; L123-W193 HydrophobicContact CD2-CE3 3.7Å; L123-W193 HydrophobicContact CD2-CZ3 4.44Å; L123-Y195 HydrophobicContact CD2-CD1 4.25Å; L123-Y195 HydrophobicContact CD2-CE1 3.99Å
124K94.3Very high96.1Very high102 Ų10251.2 Ų51.244%0.44324%0.241SC..  trans-77.6140.4164.8-177.4178.8168.5-155.50109.5N126 S129 E194 I196K124-N126 PolarHBondContact O-N 3.33Å; K124-S129 WeakPolarHBondContact O-CB 3.39Å; K124-E194 HydrophobicContact CB-CB 3.94Å; K124-E194 HydrophobicContact CD-CB 4.15Å; K124-E194 WeakPolarHBondContact CE-OE2 3.3Å; K124-E194 PolarHBondContact N-O 3.29Å; K124-E194 IonicContact NZ-OE2 2.71Å; K124-E194 PolarHBondContact NZ-OE2 2.76Å; K124-I196 HydrophobicContact CB-CG1 4.42Å
125K92.7Very high96.1Very high97 Ų9751.9 Ų51.942%0.42225%0.245SC..SBendtrans-67.9114.3-176.4-171.2170.5174.2-179.80111R32 S129R32-K125 VanDerWaalsContact NH2-CE 3.3Å; K125-S129 WeakPolarHBondContact CA-OG 3.47Å
126N93.8Very high96Very high29 Ų2945 Ų4516%0.15522%0.218CC..SBendtrans-150.2-173.5173.16916.5000110.1K124 Q128 S129 I130 E194K124-N126 PolarHBondContact O-N 3.33Å; N126-Q128 VanDerWaalsContact C-N 3.26Å; N126-Q128 PolarHBondContact O-N 3.48Å; N126-Q128 WeakPolarHBondContact OD1-CA 3.49Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.28Å; N126-Q128 PolarHBondContact OD1-N 3.14Å; N126-S129 PolarHBondContact N-OG 2.89Å; N126-S129 PolarHBondContact O-N 2.9Å; N126-S129 PolarHBondContact O-OG 3.41Å; N126-S129 VanDerWaalsContact O-OG 3.08Å; N126-S129 PolarHBondContact OD1-N 3.49Å; N126-I130 WeakPolarHBondContact O-CD1 3.43Å; N126-I130 VanDerWaalsContact O-CG1 3.26Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 3.35Å; N126-E194 PolarHBondContact ND2-OE1 3.05Å
127N95.7Very high95.9Very high125 Ų12545.8 Ų45.867%0.66823%0.225SC*.Hα-helixtrans-61.2-35.9-179.7-70.2-19.8000112.6I130 I131N127-I130 PolarHBondContact O-N 2.83Å; N127-I131 WeakPolarHBondContact O-CD1 3.47Å; N127-I131 VanDerWaalsContact O-CG1 3.28Å; N127-I131 WeakPolarHBondContact O-CG1 3.18Å; N127-I131 PolarHBondContact O-N 3.14Å; N127-I131 VanDerWaalsContact O-N 3.08Å
128Q97Very high95.7Very high52 Ų5247.8 Ų47.824%0.24324%0.236CC..Hα-helixtrans-72.8-41.7-179-62.5-64.9-19.200111.2N126 I130 I131 F132 H183 L192 W193N126-Q128 VanDerWaalsContact C-N 3.26Å; N126-Q128 PolarHBondContact O-N 3.48Å; N126-Q128 WeakPolarHBondContact OD1-CA 3.49Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.28Å; N126-Q128 PolarHBondContact OD1-N 3.14Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 3.34Å; Q128-I131 PolarHBondContact O-N 3.41Å; Q128-F132 WeakPolarHBondContact O-CB 3.37Å; Q128-F132 PolarHBondContact O-N 3.43Å; Q128-H183 PolarHBondContact O-CE1 3.47Å; Q128-H183 PolarHBondContact OE1-NE2 3.35Å; Q128-L192 HydrophobicContact CG-CB 4.1Å; Q128-W193 HydrophobicContact CB-CE3 4.36Å; Q128-W193 HydrophobicContact CB-CH2 4.43Å; Q128-W193 HydrophobicContact CB-CZ3 3.89Å
129S95.8Very high95.7Very high3 Ų344.7 Ų44.72%0.02122%0.217CC..Hα-helixtrans-61.9-38.3173.889.20000111.3K124 K125 N126 F132 E133K124-S129 WeakPolarHBondContact O-CB 3.39Å; K125-S129 WeakPolarHBondContact CA-OG 3.47Å; N126-S129 PolarHBondContact N-OG 2.89Å; N126-S129 PolarHBondContact O-N 2.9Å; N126-S129 PolarHBondContact O-OG 3.41Å; N126-S129 VanDerWaalsContact O-OG 3.08Å; N126-S129 PolarHBondContact OD1-N 3.49Å; S129-F132 PolarHBondContact O-N 3.46Å; S129-E133 WeakPolarHBondContact O-CB 3.49Å; S129-E133 VanDerWaalsContact O-CG 3.24Å; S129-E133 WeakPolarHBondContact O-CG 3.35Å; S129-E133 PolarHBondContact O-N 3.49Å
130I94.8Very high95.6Very high50 Ų5043.7 Ų43.726%0.25621%0.213SC..Hα-helixtrans-62-48.7175.4-71.1160000111.3N126 N127 Q128 F132 E133 N134N126-I130 WeakPolarHBondContact O-CD1 3.43Å; N126-I130 VanDerWaalsContact O-CG1 3.26Å; N126-I130 WeakPolarHBondContact O-CG1 3.44Å; N126-I130 PolarHBondContact O-N 3.35Å; N127-I130 PolarHBondContact O-N 2.83Å; Q128-I130 VanDerWaalsContact C-N 3.29Å; Q128-I130 PolarHBondContact O-N 3.34Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 2.92Å; I130-E133 PolarHBondContact O-N 3.38Å; I130-N134 VanDerWaalsContact O-CG 3.26Å; I130-N134 PolarHBondContact O-N 3.34Å; I130-N134 PolarHBondContact O-ND2 2.98Å
131I96.4Very high95.4Very high75 Ų7548.2 Ų48.239%0.38524%0.237SC..Hα-helixtrans-62.1-41.7179.6-66.3163.5000110N127 Q128 N134 N135 H183N127-I131 WeakPolarHBondContact O-CD1 3.47Å; N127-I131 VanDerWaalsContact O-CG1 3.28Å; N127-I131 WeakPolarHBondContact O-CG1 3.18Å; N127-I131 PolarHBondContact O-N 3.14Å; N127-I131 VanDerWaalsContact O-N 3.08Å; Q128-I131 PolarHBondContact O-N 3.41Å; I131-N134 PolarHBondContact O-N 3.4Å; I131-N135 PolarHBondContact O-N 3.44Å; I131-N135 PolarHBondContact O-ND2 3.36Å; I131-H183 VanDerWaalsContact CG2-CE1 3.43Å; I131-H183 WeakPolarHBondContact CG2-CE1 3.33Å
132F97.9Very high95.4Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-60.5-49.9175.9170-89.8000111.8T116 F119 A120 L123 Q128 S129 I130 N134 N135 Q136 L180 H183 V184 W193T116-F132 HydrophobicContact CG2-CZ 4.29Å; F119-F132 HydrophobicContact CD1-CD2 4.18Å; F119-F132 HydrophobicContact CD1-CE1 4.07Å; F119-F132 AromaticContact CD1-CE2 3.57Å; F119-F132 HydrophobicContact CD1-CE2 3.57Å; F119-F132 AromaticContact CD1-CZ 3.51Å; F119-F132 HydrophobicContact CD1-CZ 3.51Å; F119-F132 HydrophobicContact CE1-CD2 4.01Å; F119-F132 AromaticContact CE1-CE2 3.84Å; F119-F132 HydrophobicContact CE1-CE2 3.84Å; F119-F132 HydrophobicContact CE1-CG 4.45Å; F119-F132 HydrophobicContact CE1-CZ 4.17Å; A120-F132 HydrophobicContact CB-CE1 3.92Å; L123-F132 HydrophobicContact CD1-CD1 3.96Å; L123-F132 HydrophobicContact CD1-CE1 4.4Å; L123-F132 HydrophobicContact CD1-CG 4.34Å; Q128-F132 WeakPolarHBondContact O-CB 3.37Å; Q128-F132 PolarHBondContact O-N 3.43Å; S129-F132 PolarHBondContact O-N 3.46Å; I130-F132 VanDerWaalsContact C-N 3.28Å; I130-F132 PolarHBondContact O-N 2.92Å; F132-N134 VanDerWaalsContact C-N 3.28Å; F132-N134 PolarHBondContact O-N 3.23Å; F132-N135 PolarHBondContact O-N 3.33Å; F132-N135 VanDerWaalsContact O-N 3.14Å; F132-Q136 WeakPolarHBondContact O-CB 3.27Å; F132-Q136 PolarHBondContact O-N 3.24Å; F132-L180 HydrophobicContact CD2-CD1 3.65Å; F132-L180 HydrophobicContact CE2-CD1 3.61Å; F132-L180 HydrophobicContact CE2-CG 4.36Å; F132-L180 HydrophobicContact CG-CD1 4.46Å; F132-L180 HydrophobicContact CZ-CD1 4.38Å; F132-H183 PolarHBondContact N-CE1 3.44Å; F132-V184 HydrophobicContact CD2-CG2 3.73Å; F132-V184 HydrophobicContact CE2-CG2 3.51Å; F132-W193 HydrophobicContact CB-CH2 3.95Å; F132-W193 HydrophobicContact CB-CZ3 4.17Å; F132-W193 HydrophobicContact CD2-CH2 4.41Å; F132-W193 HydrophobicContact CG-CH2 4.43Å
133E96.4Very high95.5Very high15 Ų1539.9 Ų39.97%0.0720%0.204CC..Hα-helixtrans-61.3-36.7179.3-73.1173.3141.700111.7R32 S129 I130 Q136 A137R32-E133 IonicContact CZ-OE2 3.15Å; R32-E133 VanDerWaalsContact CZ-OE2 3.22Å; R32-E133 IonicContact NE-OE1 3.61Å; R32-E133 IonicContact NE-OE2 3.22Å; R32-E133 PolarHBondContact NE-OE2 3.36Å; R32-E133 IonicContact NH2-OE2 3.95Å; R32-E133 PolarHBondContact NH2-OE2 2.81Å; R32-E133 VanDerWaalsContact NH2-OE2 3.15Å; S129-E133 WeakPolarHBondContact O-CB 3.49Å; S129-E133 VanDerWaalsContact O-CG 3.24Å; S129-E133 WeakPolarHBondContact O-CG 3.35Å; S129-E133 PolarHBondContact O-N 3.49Å; I130-E133 PolarHBondContact O-N 3.38Å; E133-Q136 PolarHBondContact O-N 3.34Å; E133-A137 WeakPolarHBondContact O-CB 3.43Å; E133-A137 PolarHBondContact O-N 3.29Å
134N95Very high95.4Very high85 Ų8541.3 Ų41.346%0.45521%0.211SC..Hα-helixtrans-67-43.6174.1-70.6-21.7000111.9I130 I131 F132 Q136 A137 D138I130-N134 VanDerWaalsContact O-CG 3.26Å; I130-N134 PolarHBondContact O-N 3.34Å; I130-N134 PolarHBondContact O-ND2 2.98Å; I131-N134 PolarHBondContact O-N 3.4Å; F132-N134 VanDerWaalsContact C-N 3.28Å; F132-N134 PolarHBondContact O-N 3.23Å; N134-Q136 VanDerWaalsContact C-N 3.32Å; N134-Q136 PolarHBondContact O-N 3.48Å; N134-A137 PolarHBondContact O-N 3.08Å; N134-D138 PolarHBondContact O-N 3.41Å
135N97Very high95.2Very high25 Ų2539.6 Ų39.613%0.13421%0.208CC..Hα-helixtrans-64.1-38175.6-76.3-32.1000111.9I131 F132 L139 R176 L180I131-N135 PolarHBondContact O-N 3.44Å; I131-N135 PolarHBondContact O-ND2 3.36Å; F132-N135 PolarHBondContact O-N 3.33Å; F132-N135 VanDerWaalsContact O-N 3.14Å; N135-L139 PolarHBondContact O-N 3.14Å; N135-R176 PolarHBondContact OD1-NH2 3.48Å; N135-L180 HydrophobicContact CB-CB 4.42Å; N135-L180 HydrophobicContact CB-CD1 3.61Å
136Q97.2Very high95.3Very high1 Ų135 Ų351%0.00519%0.188CC..Hα-helixtrans-62.4-46.7174.1178.7-173.371.700111L113 T116 Y117 F132 E133 N134 D138 L139 E140 L180L113-Q136 HydrophobicContact CD2-CG 4.06Å; T116-Q136 VanDerWaalsContact C-NE2 3.31Å; T116-Q136 VanDerWaalsContact CB-NE2 3.33Å; T116-Q136 PolarHBondContact O-NE2 3.33Å; T116-Q136 PolarHBondContact OG1-NE2 2.67Å; Y117-Q136 VanDerWaalsContact CE1-OE1 3.28Å; F132-Q136 WeakPolarHBondContact O-CB 3.27Å; F132-Q136 PolarHBondContact O-N 3.24Å; E133-Q136 PolarHBondContact O-N 3.34Å; N134-Q136 VanDerWaalsContact C-N 3.32Å; N134-Q136 PolarHBondContact O-N 3.48Å; Q136-D138 PolarHBondContact O-N 3.44Å; Q136-L139 PolarHBondContact O-N 2.93Å; Q136-E140 WeakPolarHBondContact O-CB 3.46Å; Q136-E140 PolarHBondContact O-N 3.44Å; Q136-L180 HydrophobicContact CB-CD1 4.43Å
137A94Very high95.3Very high24 Ų2433.9 Ų33.920%0.19818%0.183CC..Hα-helixtrans-63.6-39.9179.600000112.9E133 N134 E140 N141E133-A137 WeakPolarHBondContact O-CB 3.43Å; E133-A137 PolarHBondContact O-N 3.29Å; N134-A137 PolarHBondContact O-N 3.08Å; A137-E140 PolarHBondContact O-N 3.33Å; A137-N141 WeakPolarHBondContact O-CB 2.91Å; A137-N141 PolarHBondContact O-N 3Å
138D94.8Very high95Very high43 Ų4328.8 Ų28.823%0.2316%0.16CC..Hα-helixtrans-65.9-44.3175.4-170.43.3000111.4N134 Q136 E140 N141 A142 Y172 R176N134-D138 PolarHBondContact O-N 3.41Å; Q136-D138 PolarHBondContact O-N 3.44Å; D138-E140 VanDerWaalsContact C-N 3.32Å; D138-E140 PolarHBondContact O-N 2.94Å; D138-N141 PolarHBondContact O-N 3.28Å; D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 3.11Å; D138-Y172 PolarHBondContact OD1-OH 3.43Å; D138-Y172 PolarHBondContact OD2-OH 2.96Å; D138-Y172 VanDerWaalsContact OD2-OH 3.13Å; D138-R176 WeakPolarHBondContact OD2-CD 3.28Å; D138-R176 IonicContact OD2-CZ 3.88Å; D138-R176 IonicContact OD2-NE 2.66Å; D138-R176 PolarHBondContact OD2-NE 2.82Å; D138-R176 IonicContact OD2-NH1 3.58Å; D138-R176 PolarHBondContact OD2-NH1 2.79Å; D138-R176 IonicContact OD2-NH2 2.85Å; D138-R176 PolarHBondContact OD2-NH2 2.86Å
139L97.3Very high94.6Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-59-44174175.960.4000111.6C109 T112 L113 N135 Q136 A142 T143 R176 R177 L180C109-L139 HydrophobicContact CB-CD1 4.23Å; T112-L139 HydrophobicContact CG2-CD2 4.27Å; L113-L139 HydrophobicContact CD1-CG 4.39Å; L113-L139 HydrophobicContact CD2-CB 4.39Å; L113-L139 HydrophobicContact CD2-CD2 4Å; L113-L139 HydrophobicContact CD2-CG 4.07Å; L113-L139 HydrophobicContact CG-CD2 4.06Å; L113-L139 HydrophobicContact CG-CG 4.2Å; N135-L139 PolarHBondContact O-N 3.14Å; Q136-L139 PolarHBondContact O-N 2.93Å; L139-A142 PolarHBondContact O-N 3.38Å; L139-T143 WeakPolarHBondContact O-CB 3.41Å; L139-T143 PolarHBondContact O-N 3.07Å; L139-T143 PolarHBondContact O-OG1 2.85Å; L139-R176 HydrophobicContact CB-CB 4.31Å; L139-R176 HydrophobicContact CD1-CB 4.05Å; L139-R177 HydrophobicContact CD1-CB 3.92Å; L139-R177 HydrophobicContact CD2-CB 4.34Å; L139-R177 HydrophobicContact CD2-CG 4.34Å; L139-L180 HydrophobicContact CD2-CD2 3.56Å
140E95.3Very high94.2Very high5 Ų528.2 Ų28.22%0.02316%0.156CC..Hα-helixtrans-63.6-46.1178.7-169.917669.800111.7W14 V15 N31 H65 L113 Y117 Q136 A137 D138 A142 T143 E144W14-E140 HydrophobicContact CZ2-CG 4.46Å; V15-E140 HydrophobicContact CG2-CG 4.47Å; V15-E140 VanDerWaalsContact CG2-OE1 3.3Å; V15-E140 WeakPolarHBondContact CG2-OE1 3.31Å; N31-E140 PolarHBondContact ND2-OE1 2.95Å; N31-E140 PolarHBondContact OD1-OE1 2.78Å; H65-E140 IonicContact CD2-OE2 2.87Å; H65-E140 IonicContact CE1-OE2 2.79Å; H65-E140 PolarHBondContact CE1-OE2 2.85Å; H65-E140 VanDerWaalsContact CE1-OE2 3.23Å; H65-E140 IonicContact NE2-OE2 3.74Å; H65-E140 PolarHBondContact NE2-OE2 3.5Å; L113-E140 HydrophobicContact CD1-CB 4.13Å; L113-E140 HydrophobicContact CD1-CG 4.23Å; L113-E140 HydrophobicContact CD2-CB 3.96Å; Y117-E140 PolarHBondContact OH-OE2 3.16Å; Q136-E140 WeakPolarHBondContact O-CB 3.46Å; Q136-E140 PolarHBondContact O-N 3.44Å; A137-E140 PolarHBondContact O-N 3.33Å; D138-E140 VanDerWaalsContact C-N 3.32Å; D138-E140 PolarHBondContact O-N 2.94Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.07Å; E140-T143 WeakPolarHBondContact O-CB 3.23Å; E140-T143 PolarHBondContact O-N 2.93Å; E140-T143 VanDerWaalsContact O-N 3.14Å; E140-E144 WeakPolarHBondContact O-CG 3.21Å; E140-E144 PolarHBondContact O-N 3.33Å
141N92.5Very high93.6Very high94 Ų9429.7 Ų29.750%0.50316%0.162SC..Hα-helixtrans-58.3-47.3176.1-172.9-82.1000111.8A137 D138 T143 E144 V145A137-N141 WeakPolarHBondContact O-CB 2.91Å; A137-N141 PolarHBondContact O-N 3Å; D138-N141 PolarHBondContact O-N 3.28Å; N141-T143 VanDerWaalsContact C-N 3.28Å; N141-T143 PolarHBondContact O-N 3.06Å; N141-E144 PolarHBondContact O-N 3.36Å; N141-V145 WeakPolarHBondContact O-CG2 3.24Å; N141-V145 PolarHBondContact O-N 2.98Å
142A95.4Very high92.8Very high4 Ų435.1 Ų35.13%0.03318%0.178CC..Hα-helixtrans-56.8-43.9175.900000111.8D138 L139 E140 E144 V145 L146 Y172 C173D138-A142 WeakPolarHBondContact O-CB 3.49Å; D138-A142 PolarHBondContact O-N 3.11Å; L139-A142 PolarHBondContact O-N 3.38Å; E140-A142 VanDerWaalsContact C-N 3.35Å; E140-A142 PolarHBondContact O-N 3.07Å; A142-E144 PolarHBondContact O-N 3.32Å; A142-V145 PolarHBondContact O-N 3.38Å; A142-L146 PolarHBondContact O-N 3.33Å; A142-Y172 HydrophobicContact CB-CD1 3.59Å; A142-Y172 HydrophobicContact CB-CE1 3.68Å; A142-C173 PolarHBondContact O-SG 3.47Å
143T96.4Very high91Very high0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-60.8-44.1179.2-58.40000111.1L106 C109 R110 L113 L139 E140 N141 L146 S147L106-T143 HydrophobicContact CD1-CG2 3.59Å; C109-T143 HydrophobicContact CB-CG2 4.04Å; C109-T143 WeakPolarHBondContact CB-OG1 3.48Å; R110-T143 HydrophobicContact CG-CG2 3.86Å; L113-T143 HydrophobicContact CD1-CG2 4.12Å; L139-T143 WeakPolarHBondContact O-CB 3.41Å; L139-T143 PolarHBondContact O-N 3.07Å; L139-T143 PolarHBondContact O-OG1 2.85Å; E140-T143 WeakPolarHBondContact O-CB 3.23Å; E140-T143 PolarHBondContact O-N 2.93Å; E140-T143 VanDerWaalsContact O-N 3.14Å; N141-T143 VanDerWaalsContact C-N 3.28Å; N141-T143 PolarHBondContact O-N 3.06Å; T143-L146 PolarHBondContact O-N 3.45Å; T143-S147 WeakPolarHBondContact O-CB 3.48Å; T143-S147 PolarHBondContact O-N 2.91Å
144E92.8Very high89.4Confident39 Ų3941.2 Ų41.218%0.18221%0.211CC..Hα-helixtrans-67.5-39.2176.1-62.6-37.912300113.9W14 R110 E140 N141 A142 L146 S147 G148W14-E144 VanDerWaalsContact CZ2-CD 3.4Å; W14-E144 HydrophobicContact CZ2-CG 4.26Å; W14-E144 WeakPolarHBondContact CZ2-OE1 3.42Å; W14-E144 PolarHBondContact NE1-OE1 3.47Å; W14-E144 PolarHBondContact NE1-OE2 3.3Å; R110-E144 IonicContact CZ-OE1 3.02Å; R110-E144 IonicContact CZ-OE2 2.92Å; R110-E144 IonicContact NH1-OE1 3.8Å; R110-E144 PolarHBondContact NH1-OE1 3.48Å; R110-E144 IonicContact NH1-OE2 3.54Å; R110-E144 IonicContact NH2-OE1 3.23Å; R110-E144 PolarHBondContact NH2-OE1 3.26Å; R110-E144 IonicContact NH2-OE2 3.56Å; R110-E144 PolarHBondContact NH2-OE2 3.42Å; E140-E144 WeakPolarHBondContact O-CG 3.21Å; E140-E144 PolarHBondContact O-N 3.33Å; N141-E144 PolarHBondContact O-N 3.36Å; A142-E144 PolarHBondContact O-N 3.32Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 PolarHBondContact O-N 2.88Å; E144-S147 PolarHBondContact O-N 2.86Å; E144-G148 PolarHBondContact O-N 3.22Å
145V92.1Very high87.6Confident65 Ų6540.2 Ų40.239%0.39421%0.21SC..Hα-helixtrans-62.6-39.3177.3169.50000110.1N141 A142 Y149 K169N141-V145 WeakPolarHBondContact O-CG2 3.24Å; N141-V145 PolarHBondContact O-N 2.98Å; A142-V145 PolarHBondContact O-N 3.38Å; V145-Y149 WeakPolarHBondContact O-CB 3.41Å; V145-Y149 PolarHBondContact O-N 2.91Å; V145-Y149 VanDerWaalsContact O-N 3.12Å; V145-K169 HydrophobicContact CG1-CD 4.09Å; V145-K169 HydrophobicContact CG1-CG 4.4Å
146L94.3Very high85.6Confident0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-67.7-49.8173.9179.360.9000111.7A102 L106 A142 T143 E144 G148 Y149 L150 K169 C173A102-L146 HydrophobicContact CB-CD1 4.41Å; L106-L146 HydrophobicContact CB-CD2 3.99Å; L106-L146 HydrophobicContact CD1-CD2 4.4Å; A142-L146 PolarHBondContact O-N 3.33Å; T143-L146 PolarHBondContact O-N 3.45Å; E144-L146 VanDerWaalsContact C-N 3.26Å; E144-L146 PolarHBondContact O-N 2.88Å; L146-G148 PolarHBondContact O-N 3.21Å; L146-Y149 PolarHBondContact O-N 2.87Å; L146-L150 HydrophobicContact CD1-CD1 3.94Å; L146-L150 HydrophobicContact CD1-CG 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 WeakPolarHBondContact O-CG 3.43Å; L146-L150 PolarHBondContact O-N 3.19Å; L146-K169 HydrophobicContact CB-CB 4.44Å; L146-K169 HydrophobicContact CD1-CB 3.82Å; L146-C173 HydrophobicContact CD2-CB 4.47Å
147S92.8Very high84Confident6 Ų650.4 Ų50.44%0.04226%0.259CS..Hα-helixtrans-55.5-51.6178.6-162.20000111.2T143 E144 Y149 L150 E151T143-S147 WeakPolarHBondContact O-CB 3.48Å; T143-S147 PolarHBondContact O-N 2.91Å; E144-S147 PolarHBondContact O-N 2.86Å; S147-Y149 VanDerWaalsContact C-N 3.3Å; S147-Y149 PolarHBondContact O-N 3.24Å; S147-L150 PolarHBondContact O-N 3.03Å; S147-E151 WeakPolarHBondContact O-CB 3.43Å; S147-E151 WeakPolarHBondContact O-CG 3.3Å; S147-E151 PolarHBondContact O-N 3.23Å
148G89Confident83Confident19 Ų1953 Ų5320%0.19628%0.276CS..Hα-helixtrans-64.5-31.4179.600000113.4E144 L146 R152E144-G148 PolarHBondContact O-N 3.22Å; L146-G148 PolarHBondContact O-N 3.21Å; G148-R152 WeakPolarHBondContact O-CB 3.4Å; G148-R152 WeakPolarHBondContact O-CD 3.26Å; G148-R152 WeakPolarHBondContact O-CG 3.25Å; G148-R152 PolarHBondContact O-N 2.66Å; G148-R152 VanDerWaalsContact O-N 3.14Å
149Y88.7Confident82Confident34 Ų3453.8 Ų53.813%0.13328%0.28CS..Hα-helixtrans-72.5-39.9174.5-170.1-93.5000112V145 L146 S147 D157 K165 V166 K169V145-Y149 WeakPolarHBondContact O-CB 3.41Å; V145-Y149 PolarHBondContact O-N 2.91Å; V145-Y149 VanDerWaalsContact O-N 3.12Å; L146-Y149 PolarHBondContact O-N 2.87Å; S147-Y149 VanDerWaalsContact C-N 3.3Å; S147-Y149 PolarHBondContact O-N 3.24Å; Y149-D157 PolarHBondContact OH-OD2 3.5Å; Y149-K165 HydrophobicContact CE1-CB 4.09Å; Y149-K165 HydrophobicContact CE2-CB 4.26Å; Y149-K165 HydrophobicContact CE2-CD 3.91Å; Y149-K165 VanDerWaalsContact OH-CD 3.22Å; Y149-K165 WeakPolarHBondContact OH-CD 3.26Å; Y149-V166 HydrophobicContact CD1-CG2 3.83Å; Y149-V166 HydrophobicContact CE1-CG2 3.5Å; Y149-K169 HydrophobicContact CD1-CD 4.24Å; Y149-K169 HydrophobicContact CD2-CD 4.34Å; Y149-K169 HydrophobicContact CG-CD 3.83Å
150L88Confident81.1Confident9 Ų961.6 Ų61.65%0.04732%0.316CS..Hα-helixtrans-72.8-29.4178-66.5173.9000113.1L75 A102 V103 L106 L146 S147 I154 V166L75-L150 HydrophobicContact CD2-CB 3.87Å; L75-L150 HydrophobicContact CD2-CD1 4.08Å; A102-L150 HydrophobicContact CB-CD1 4.15Å; A102-L150 HydrophobicContact CB-CD2 4.24Å; V103-L150 HydrophobicContact CG2-CD1 4.3Å; L106-L150 HydrophobicContact CD2-CD1 4.02Å; L146-L150 HydrophobicContact CD1-CD1 3.94Å; L146-L150 HydrophobicContact CD1-CG 4.07Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 WeakPolarHBondContact O-CG 3.43Å; L146-L150 PolarHBondContact O-N 3.19Å; S147-L150 PolarHBondContact O-N 3.03Å; L150-I154 HydrophobicContact CD2-CD1 4.28Å; L150-V166 HydrophobicContact CD2-CG1 4.26Å; L150-V166 HydrophobicContact CD2-CG2 4.28Å
151E83.2Confident80.5Confident81 Ų8164.1 Ų64.138%0.37933%0.33SS..Hα-helixtrans-80.4-24.6175.4-76.8-178.8-159.900114.1R4 S147 D153R4-E151 IonicContact NH2-OE2 2.81Å; R4-E151 PolarHBondContact NH2-OE2 3.08Å; S147-E151 WeakPolarHBondContact O-CB 3.43Å; S147-E151 WeakPolarHBondContact O-CG 3.3Å; S147-E151 PolarHBondContact O-N 3.23Å; E151-D153 PolarHBondContact O-N 3.21Å
152R78.2Confident80Confident188 Ų18859.7 Ų59.771%0.70931%0.306SS*.SBendtrans-70.9130.2170.3-78.2171.4-169.4-166.63106.5G148 I154G148-R152 WeakPolarHBondContact O-CB 3.4Å; G148-R152 WeakPolarHBondContact O-CD 3.26Å; G148-R152 WeakPolarHBondContact O-CG 3.25Å; G148-R152 PolarHBondContact O-N 2.66Å; G148-R152 VanDerWaalsContact O-N 3.14Å; R152-I154 PolarHBondContact O-N 3.19Å
153D60.9Low79.7Confident125 Ų12562.1 Ų62.167%0.66832%0.316SS*.  trans-54.2112.6-176-1597000108.5E151 S155E151-D153 PolarHBondContact O-N 3.21Å; D153-S155 WeakPolarHBondContact CB-OG 3.4Å; D153-S155 PolarHBondContact O-N 2.81Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.96Å
154I61.8Low79.4Confident18 Ų1866.7 Ų66.79%0.09234%0.337CS..THydrogen-bonded Turntrans-67.217.2-179-59174.2000109.7M86 L99 L150 R152 I162M86-I154 HydrophobicContact CE-CG2 4.24Å; L99-I154 HydrophobicContact CD2-CD1 4.07Å; L150-I154 HydrophobicContact CD2-CD1 4.28Å; R152-I154 PolarHBondContact O-N 3.19Å; I154-I162 HydrophobicContact CG2-CB 4.12Å; I154-I162 HydrophobicContact CG2-CD1 3.46Å; I154-I162 VanDerWaalsContact CG2-CD1 3.46Å; I154-I162 HydrophobicContact CG2-CG1 3.71Å; I154-I162 HydrophobicContact CG2-CG2 3.29Å; I154-I162 WeakPolarHBondContact O-CD1 3.38Å
155S57.7Low79.3Confident64 Ų6468 Ų6845%0.44834%0.342SS..THydrogen-bonded Turntrans-88.8-17.8-17360.90000113.6D153D153-S155 WeakPolarHBondContact CB-OG 3.4Å; D153-S155 PolarHBondContact O-N 2.81Å; D153-S155 PolarHBondContact OD1-OG 2.89Å; D153-S155 PolarHBondContact OD2-OG 2.96Å
156Q56.2Low79.4Confident179 Ų17964.9 Ų64.984%0.83632%0.324SS*.SBendtrans-96.3-22.4-173.9-64.2-167.8-19.100114.9
157D62.5Low79.4Confident61 Ų6166.5 Ų66.533%0.32633%0.331SS..SBendtrans-91.5154.6-179.7-77.2-15.2000110.7Y149 I162 K165Y149-D157 PolarHBondContact OH-OD2 3.5Å; D157-I162 HydrophobicContact CB-CD1 4.03Å; D157-I162 HydrophobicContact CB-CG1 3.53Å; D157-I162 WeakPolarHBondContact O-CD1 3.42Å; D157-K165 IonicContact OD1-NZ 3.93Å; D157-K165 IonicContact OD2-NZ 2.65Å; D157-K165 PolarHBondContact OD2-NZ 3.42Å
158S72.4Confident79.5Confident78 Ų7869.9 Ų69.955%0.54535%0.349SS..  trans-65.5148.3171.276.40000111.1Q160 D161 I162S158-Q160 PolarHBondContact O-N 3.04Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; S158-D161 WeakPolarHBondContact O-CB 3.17Å; S158-D161 PolarHBondContact O-N 3.08Å; S158-D161 VanDerWaalsContact OG-CB 3.29Å; S158-D161 WeakPolarHBondContact OG-CB 3.05Å; S158-D161 PolarHBondContact OG-N 3.39Å; S158-I162 WeakPolarHBondContact O-CG1 3.41Å; S158-I162 PolarHBondContact O-N 3.15Å
159L75.1Confident79.9Confident61 Ų6171.8 Ų71.832%0.31935%0.352SS..Hα-helixtrans-54.6-37.9-176.9-68.7177.9000113.9M86 H89 M91 I162 K163M86-L159 HydrophobicContact CE-CD2 3.72Å; M86-L159 HydrophobicContact CG-CD2 3.73Å; M86-L159 HydrophobicContact SD-CD2 4.21Å; H89-L159 HydrophobicContact CB-CD1 4.04Å; M91-L159 HydrophobicContact SD-CB 4.43Å; M91-L159 HydrophobicContact SD-CD1 4.31Å; L159-I162 HydrophobicContact CD2-CD1 4.46Å; L159-K163 PolarHBondContact O-N 2.64Å; L159-K163 VanDerWaalsContact O-N 3.08Å
160Q76.8Confident80.3Confident163 Ų16370.8 Ų70.876%0.76235%0.348SS*.Hα-helixtrans-70-40.1179.1-173.3172.50.600112S158 K163 Q164S158-Q160 PolarHBondContact O-N 3.04Å; S158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-K163 PolarHBondContact O-N 3.04Å; Q160-Q164 PolarHBondContact O-N 3.48Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å
161D82.8Confident80.8Confident58 Ų5875.8 Ų75.831%0.3137%0.366SS..Hα-helixtrans-67.7-40.6178-175.841.5000111.3S158 K163 Q164 K165S158-D161 WeakPolarHBondContact O-CB 3.17Å; S158-D161 PolarHBondContact O-N 3.08Å; S158-D161 VanDerWaalsContact OG-CB 3.29Å; S158-D161 WeakPolarHBondContact OG-CB 3.05Å; S158-D161 PolarHBondContact OG-N 3.39Å; D161-K163 PolarHBondContact O-N 2.98Å; D161-Q164 PolarHBondContact O-N 2.81Å; D161-K165 VanDerWaalsContact O-CB 3.32Å; D161-K165 WeakPolarHBondContact O-CB 3.41Å; D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.09Å; D161-K165 PolarHBondContact O-N 3.17Å; D161-K165 WeakPolarHBondContact OD1-CE 3.44Å; D161-K165 IonicContact OD1-NZ 3.36Å; D161-K165 VanDerWaalsContact OD2-CE 3.22Å; D161-K165 WeakPolarHBondContact OD2-CE 3.37Å; D161-K165 IonicContact OD2-NZ 2.66Å; D161-K165 PolarHBondContact OD2-NZ 2.71Å
162I83.8Confident81.5Confident1 Ų177.2 Ų77.21%0.00537%0.369CS..Hα-helixtrans-56.8-51.2171.7-67.5159.6000110.6M86 F98 I154 D157 S158 L159 Q164 K165 V166M86-I162 HydrophobicContact CE-CD1 4.48Å; M86-I162 HydrophobicContact CE-CG2 3.97Å; F98-I162 HydrophobicContact CE2-CG2 4.23Å; F98-I162 HydrophobicContact CZ-CG2 4.16Å; I154-I162 HydrophobicContact CG2-CB 4.12Å; I154-I162 HydrophobicContact CG2-CD1 3.46Å; I154-I162 VanDerWaalsContact CG2-CD1 3.46Å; I154-I162 HydrophobicContact CG2-CG1 3.71Å; I154-I162 HydrophobicContact CG2-CG2 3.29Å; I154-I162 WeakPolarHBondContact O-CD1 3.38Å; D157-I162 HydrophobicContact CB-CD1 4.03Å; D157-I162 HydrophobicContact CB-CG1 3.53Å; D157-I162 WeakPolarHBondContact O-CD1 3.42Å; S158-I162 WeakPolarHBondContact O-CG1 3.41Å; S158-I162 PolarHBondContact O-N 3.15Å; L159-I162 HydrophobicContact CD2-CD1 4.46Å; I162-Q164 VanDerWaalsContact C-N 3.33Å; I162-Q164 PolarHBondContact O-N 2.95Å; I162-K165 PolarHBondContact O-N 2.98Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.3Å; I162-V166 VanDerWaalsContact O-CG2 3.25Å; I162-V166 WeakPolarHBondContact O-CG2 3.08Å; I162-V166 PolarHBondContact O-N 3.15Å
163K87.8Confident82.5Confident56 Ų5668.3 Ų68.324%0.24334%0.335CS..Hα-helixtrans-56.1-49.9-178.6-177.2178.3-179.7178.80111M91 F98 L159 Q160 D161 Q167M91-K163 HydrophobicContact CE-CD 4.46Å; F98-K163 HydrophobicContact CD1-CG 4.14Å; F98-K163 HydrophobicContact CE1-CB 4.22Å; F98-K163 HydrophobicContact CE1-CG 4.12Å; F98-K163 HydrophobicContact CE2-CB 4.33Å; F98-K163 HydrophobicContact CG-CG 4.34Å; F98-K163 HydrophobicContact CZ-CB 4.02Å; F98-K163 HydrophobicContact CZ-CG 4.33Å; L159-K163 PolarHBondContact O-N 2.64Å; L159-K163 VanDerWaalsContact O-N 3.08Å; Q160-K163 PolarHBondContact O-N 3.04Å; D161-K163 PolarHBondContact O-N 2.98Å; K163-Q167 VanDerWaalsContact O-CB 3.27Å; K163-Q167 WeakPolarHBondContact O-CB 3.49Å; K163-Q167 WeakPolarHBondContact O-CG 3.36Å; K163-Q167 PolarHBondContact O-N 3.36Å
164Q90.4Very high84.2Confident96 Ų9665.4 Ų65.445%0.44932%0.318SS..Hα-helixtrans-62.5-52.4179.9-173.86145.600111.4Q160 D161 I162 V166 Q167 D168Q160-Q164 PolarHBondContact O-N 3.48Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å; D161-Q164 PolarHBondContact O-N 2.81Å; I162-Q164 VanDerWaalsContact C-N 3.33Å; I162-Q164 PolarHBondContact O-N 2.95Å; Q164-V166 PolarHBondContact O-N 2.9Å; Q164-Q167 PolarHBondContact O-N 2.84Å; Q164-D168 PolarHBondContact NE2-OD1 3.37Å; Q164-D168 PolarHBondContact NE2-OD2 2.88Å; Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 3.1Å
165K91.7Very high86Confident66 Ų6666.7 Ų66.729%0.28733%0.328SS..Hα-helixtrans-60.3-43.4-178.1-75.1171.3171168.60112.8Y149 D157 D161 I162 K169Y149-K165 HydrophobicContact CE1-CB 4.09Å; Y149-K165 HydrophobicContact CE2-CB 4.26Å; Y149-K165 HydrophobicContact CE2-CD 3.91Å; Y149-K165 VanDerWaalsContact OH-CD 3.22Å; Y149-K165 WeakPolarHBondContact OH-CD 3.26Å; D157-K165 IonicContact OD1-NZ 3.93Å; D157-K165 IonicContact OD2-NZ 2.65Å; D157-K165 PolarHBondContact OD2-NZ 3.42Å; D161-K165 VanDerWaalsContact O-CB 3.32Å; D161-K165 WeakPolarHBondContact O-CB 3.41Å; D161-K165 VanDerWaalsContact O-CG 3.3Å; D161-K165 WeakPolarHBondContact O-CG 3.09Å; D161-K165 PolarHBondContact O-N 3.17Å; D161-K165 WeakPolarHBondContact OD1-CE 3.44Å; D161-K165 IonicContact OD1-NZ 3.36Å; D161-K165 VanDerWaalsContact OD2-CE 3.22Å; D161-K165 WeakPolarHBondContact OD2-CE 3.37Å; D161-K165 IonicContact OD2-NZ 2.66Å; D161-K165 PolarHBondContact OD2-NZ 2.71Å; I162-K165 PolarHBondContact O-N 2.98Å; K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 VanDerWaalsContact O-CG 3.23Å; K165-K169 WeakPolarHBondContact O-CG 3.34Å; K165-K169 PolarHBondContact O-N 3.44Å; K165-K169 VanDerWaalsContact O-N 3.16Å
166V92.9Very high87.9Confident0 Ų065.8 Ų65.80%032%0.315CS..Hα-helixtrans-65.4-44.4176.9174.60000110.3F98 L99 A102 Y149 L150 I162 Q164 D168 K169 Y170F98-V166 HydrophobicContact CD2-CB 3.72Å; F98-V166 HydrophobicContact CD2-CG1 3.6Å; F98-V166 HydrophobicContact CD2-CG2 4.45Å; F98-V166 HydrophobicContact CE2-CB 3.67Å; F98-V166 HydrophobicContact CE2-CG1 3.9Å; F98-V166 HydrophobicContact CE2-CG2 3.93Å; L99-V166 HydrophobicContact CD2-CG2 4.35Å; A102-V166 HydrophobicContact CB-CG1 3.4Å; A102-V166 VanDerWaalsContact CB-CG1 3.4Å; Y149-V166 HydrophobicContact CD1-CG2 3.83Å; Y149-V166 HydrophobicContact CE1-CG2 3.5Å; L150-V166 HydrophobicContact CD2-CG1 4.26Å; L150-V166 HydrophobicContact CD2-CG2 4.28Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.3Å; I162-V166 VanDerWaalsContact O-CG2 3.25Å; I162-V166 WeakPolarHBondContact O-CG2 3.08Å; I162-V166 PolarHBondContact O-N 3.15Å; Q164-V166 PolarHBondContact O-N 2.9Å; V166-D168 PolarHBondContact O-N 3.35Å; V166-K169 PolarHBondContact O-N 3.3Å; V166-Y170 HydrophobicContact CG1-CD1 4.11Å; V166-Y170 WeakPolarHBondContact O-CD1 3.46Å; V166-Y170 PolarHBondContact O-N 2.82Å
167Q94.9Very high89.9Confident34 Ų3460 Ų6016%0.15929%0.285CS..Hα-helixtrans-59.9-46.1179.1-77.6-173.7-18.300112.7F98 K163 Q164 K169 Y170 R171F98-Q167 HydrophobicContact CB-CG 4.02Å; F98-Q167 HydrophobicContact CD2-CG 4.42Å; F98-Q167 HydrophobicContact CG-CG 4.46Å; K163-Q167 VanDerWaalsContact O-CB 3.27Å; K163-Q167 WeakPolarHBondContact O-CB 3.49Å; K163-Q167 WeakPolarHBondContact O-CG 3.36Å; K163-Q167 PolarHBondContact O-N 3.36Å; Q164-Q167 PolarHBondContact O-N 2.84Å; Q167-K169 PolarHBondContact O-N 3.3Å; Q167-Y170 VanDerWaalsContact CA-CE1 3.41Å; Q167-Y170 HydrophobicContact CB-CE1 4.06Å; Q167-Y170 HydrophobicContact CG-CE1 3.71Å; Q167-R171 VanDerWaalsContact O-CB 3.23Å; Q167-R171 WeakPolarHBondContact O-CB 3.29Å; Q167-R171 WeakPolarHBondContact O-CD 3.4Å; Q167-R171 WeakPolarHBondContact O-CG 3.46Å; Q167-R171 PolarHBondContact O-N 3.38Å
168D95.6Very high91.7Very high76 Ų7664.3 Ų64.341%0.40630%0.297SS..Hα-helixtrans-64-43.1179.8-66.6-22.3000111.4Q164 V166 Y172Q164-D168 PolarHBondContact NE2-OD1 3.37Å; Q164-D168 PolarHBondContact NE2-OD2 2.88Å; Q164-D168 VanDerWaalsContact O-CG 3.3Å; Q164-D168 PolarHBondContact O-N 3.1Å; V166-D168 PolarHBondContact O-N 3.35Å; D168-Y172 WeakPolarHBondContact O-CB 3.38Å; D168-Y172 PolarHBondContact O-N 3.27Å
169K96.5Very high92.9Very high60 Ų6063 Ų6326%0.26129%0.286SS..Hα-helixtrans-65-49.1179.6-70.5177.3-164-43.40112.6V145 L146 Y149 K165 V166 Q167 Y172 C173V145-K169 HydrophobicContact CG1-CD 4.09Å; V145-K169 HydrophobicContact CG1-CG 4.4Å; L146-K169 HydrophobicContact CB-CB 4.44Å; L146-K169 HydrophobicContact CD1-CB 3.82Å; Y149-K169 HydrophobicContact CD1-CD 4.24Å; Y149-K169 HydrophobicContact CD2-CD 4.34Å; Y149-K169 HydrophobicContact CG-CD 3.83Å; K165-K169 WeakPolarHBondContact O-CB 3.23Å; K165-K169 VanDerWaalsContact O-CG 3.23Å; K165-K169 WeakPolarHBondContact O-CG 3.34Å; K165-K169 PolarHBondContact O-N 3.44Å; K165-K169 VanDerWaalsContact O-N 3.16Å; V166-K169 PolarHBondContact O-N 3.3Å; Q167-K169 PolarHBondContact O-N 3.3Å; K169-Y172 PolarHBondContact O-N 2.93Å; K169-C173 PolarHBondContact O-N 3.47Å; K169-C173 PolarHBondContact O-SG 3.24Å
170Y97.1Very high94Very high12 Ų1260.1 Ų60.15%0.04727%0.271CS..Hα-helixtrans-69.8-35-179.882.5-116.2000111.6F98 K101 A102 V105 V166 Q167 Y172 C173 E174F98-Y170 HydrophobicContact CB-CE1 4.33Å; K101-Y170 HydrophobicContact CD-CE2 3.91Å; K101-Y170 HydrophobicContact CG-CD2 4.44Å; K101-Y170 HydrophobicContact CG-CE2 4.13Å; A102-Y170 HydrophobicContact CB-CD1 3.82Å; A102-Y170 HydrophobicContact CB-CG 4.34Å; V105-Y170 HydrophobicContact CG2-CD2 4.18Å; V166-Y170 HydrophobicContact CG1-CD1 4.11Å; V166-Y170 WeakPolarHBondContact O-CD1 3.46Å; V166-Y170 PolarHBondContact O-N 2.82Å; Q167-Y170 VanDerWaalsContact CA-CE1 3.41Å; Q167-Y170 HydrophobicContact CB-CE1 4.06Å; Q167-Y170 HydrophobicContact CG-CE1 3.71Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 PolarHBondContact O-N 2.62Å; Y170-C173 WeakPolarHBondContact O-CB 3.38Å; Y170-C173 PolarHBondContact O-N 2.93Å; Y170-E174 WeakPolarHBondContact O-CB 3.42Å; Y170-E174 PolarHBondContact O-N 3.25Å
171R98.3Very high95Very high115 Ų11556 Ų5643%0.43425%0.253SS..Hα-helixtrans-63.8-39.8175.5-75.9173.1-178.6150.82.9111.2Q167 E174 S175Q167-R171 VanDerWaalsContact O-CB 3.23Å; Q167-R171 WeakPolarHBondContact O-CB 3.29Å; Q167-R171 WeakPolarHBondContact O-CD 3.4Å; Q167-R171 WeakPolarHBondContact O-CG 3.46Å; Q167-R171 PolarHBondContact O-N 3.38Å; R171-E174 PolarHBondContact O-N 2.79Å; R171-S175 WeakPolarHBondContact O-CB 3.49Å; R171-S175 PolarHBondContact O-N 2.89Å
172Y98.1Very high95.8Very high111 Ų11159 Ų5944%0.43527%0.266SS..Hα-helixtrans-62-48.5174.2-173.7-110.1000111.1D138 A142 D168 K169 Y170 E174 S175 R176D138-Y172 PolarHBondContact OD1-OH 3.43Å; D138-Y172 PolarHBondContact OD2-OH 2.96Å; D138-Y172 VanDerWaalsContact OD2-OH 3.13Å; A142-Y172 HydrophobicContact CB-CD1 3.59Å; A142-Y172 HydrophobicContact CB-CE1 3.68Å; D168-Y172 WeakPolarHBondContact O-CB 3.38Å; D168-Y172 PolarHBondContact O-N 3.27Å; K169-Y172 PolarHBondContact O-N 2.93Å; Y170-Y172 VanDerWaalsContact C-N 3.32Å; Y170-Y172 PolarHBondContact O-N 2.62Å; Y172-E174 PolarHBondContact O-N 2.84Å; Y172-S175 WeakPolarHBondContact O-CB 3.39Å; Y172-S175 PolarHBondContact O-N 3.32Å; Y172-R176 HydrophobicContact CD1-CG 4.18Å; Y172-R176 HydrophobicContact CD2-CG 4.44Å; Y172-R176 HydrophobicContact CE1-CG 3.76Å; Y172-R176 HydrophobicContact CE2-CG 4.07Å; Y172-R176 HydrophobicContact CG-CG 4.48Å; Y172-R176 WeakPolarHBondContact O-CG 3.4Å; Y172-R176 PolarHBondContact O-N 3.4Å
173C98.2Very high96.4Very high0 Ų059.8 Ų59.80%027%0.269CS..Hα-helixtrans-55.7-48.8175.3-66.70000112.3V105 A142 L146 K169 Y170 S175 R176 R177V105-C173 HydrophobicContact CG1-CB 3.89Å; A142-C173 PolarHBondContact O-SG 3.47Å; L146-C173 HydrophobicContact CD2-CB 4.47Å; K169-C173 PolarHBondContact O-N 3.47Å; K169-C173 PolarHBondContact O-SG 3.24Å; Y170-C173 WeakPolarHBondContact O-CB 3.38Å; Y170-C173 PolarHBondContact O-N 2.93Å; C173-S175 VanDerWaalsContact C-N 3.33Å; C173-S175 PolarHBondContact O-N 2.85Å; C173-R176 PolarHBondContact O-N 3.3Å; C173-R177 VanDerWaalsContact O-CB 3.31Å; C173-R177 WeakPolarHBondContact O-CB 3.46Å; C173-R177 PolarHBondContact O-N 3.27Å
174E98.3Very high96.9Very high65 Ų6558.4 Ų58.430%0.30427%0.265SS..Hα-helixtrans-60.3-42.9178.6-175.1174.5-138.100111.5V105 Y170 R171 Y172 R177 R178V105-E174 HydrophobicContact CG1-CB 4.29Å; Y170-E174 WeakPolarHBondContact O-CB 3.42Å; Y170-E174 PolarHBondContact O-N 3.25Å; R171-E174 PolarHBondContact O-N 2.79Å; Y172-E174 PolarHBondContact O-N 2.84Å; E174-R177 PolarHBondContact O-N 3.07Å; E174-R178 PolarHBondContact O-N 3.07Å
175S98.4Very high97.3Very high44 Ų4459 Ų5931%0.30827%0.268SS..Hα-helixtrans-62.5-49.2175.8-169.80000111.9R171 Y172 C173 R177 R178 V179R171-S175 WeakPolarHBondContact O-CB 3.49Å; R171-S175 PolarHBondContact O-N 2.89Å; Y172-S175 WeakPolarHBondContact O-CB 3.39Å; Y172-S175 PolarHBondContact O-N 3.32Å; C173-S175 VanDerWaalsContact C-N 3.33Å; C173-S175 PolarHBondContact O-N 2.85Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.09Å; S175-R178 PolarHBondContact O-N 3.32Å; S175-V179 WeakPolarHBondContact O-CG2 3.43Å; S175-V179 PolarHBondContact O-N 2.91Å
176R98.4Very high97.6Very high46 Ų4659.1 Ų59.117%0.17427%0.269CS..Hα-helixtrans-61.9-40.3178-67-44.3-50.2-168.31.6112.2N135 D138 L139 Y172 C173 R178 V179 L180N135-R176 PolarHBondContact OD1-NH2 3.48Å; D138-R176 WeakPolarHBondContact OD2-CD 3.28Å; D138-R176 IonicContact OD2-CZ 3.88Å; D138-R176 IonicContact OD2-NE 2.66Å; D138-R176 PolarHBondContact OD2-NE 2.82Å; D138-R176 IonicContact OD2-NH1 3.58Å; D138-R176 PolarHBondContact OD2-NH1 2.79Å; D138-R176 IonicContact OD2-NH2 2.85Å; D138-R176 PolarHBondContact OD2-NH2 2.86Å; L139-R176 HydrophobicContact CB-CB 4.31Å; L139-R176 HydrophobicContact CD1-CB 4.05Å; Y172-R176 HydrophobicContact CD1-CG 4.18Å; Y172-R176 HydrophobicContact CD2-CG 4.44Å; Y172-R176 HydrophobicContact CE1-CG 3.76Å; Y172-R176 HydrophobicContact CE2-CG 4.07Å; Y172-R176 HydrophobicContact CG-CG 4.48Å; Y172-R176 WeakPolarHBondContact O-CG 3.4Å; Y172-R176 PolarHBondContact O-N 3.4Å; C173-R176 PolarHBondContact O-N 3.3Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 2.91Å; R176-V179 PolarHBondContact O-N 3.3Å; R176-L180 PolarHBondContact O-N 3.39Å
177R98.6Very high97.8Very high58 Ų5859.1 Ų59.122%0.21927%0.269CS..Hα-helixtrans-60.1-45.3175.9-167.6-179.38291.1-5.2111Q108 T112 L139 C173 E174 S175 L180 L181Q108-R177 VanDerWaalsContact OE1-NH2 3.1Å; T112-R177 HydrophobicContact CG2-CG 4.07Å; T112-R177 WeakPolarHBondContact OG1-CD 3.35Å; T112-R177 PolarHBondContact OG1-NH1 2.81Å; L139-R177 HydrophobicContact CD1-CB 3.92Å; L139-R177 HydrophobicContact CD2-CB 4.34Å; L139-R177 HydrophobicContact CD2-CG 4.34Å; C173-R177 VanDerWaalsContact O-CB 3.31Å; C173-R177 WeakPolarHBondContact O-CB 3.46Å; C173-R177 PolarHBondContact O-N 3.27Å; E174-R177 PolarHBondContact O-N 3.07Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-R177 PolarHBondContact O-N 3.09Å; R177-L180 PolarHBondContact O-N 3.12Å; R177-L181 HydrophobicContact CG-CD1 4.18Å; R177-L181 WeakPolarHBondContact O-CB 3.22Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.34Å; R177-L181 PolarHBondContact O-N 3.45Å
178R98.5Very high98Very high150 Ų15063.8 Ų63.857%0.56629%0.287SS*.Hα-helixtrans-63.3-45.5176.9-178.3176.359.4-142.3-6.5112E174 S175 R176 L180 L181 Q182E174-R178 PolarHBondContact O-N 3.07Å; S175-R178 PolarHBondContact O-N 3.32Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 2.91Å; R178-L180 VanDerWaalsContact C-N 3.34Å; R178-L180 PolarHBondContact O-N 3.43Å; R178-L181 PolarHBondContact O-N 2.93Å; R178-Q182 VanDerWaalsContact O-CB 3.25Å; R178-Q182 WeakPolarHBondContact O-CB 3.18Å; R178-Q182 PolarHBondContact O-N 2.89Å
179V98.3Very high98.1Very high52 Ų5266.7 Ų66.732%0.31530%0.298SS..Hα-helixtrans-58.8-45.9177.8170.30000111.1S175 R176 Q182 H183S175-V179 WeakPolarHBondContact O-CG2 3.43Å; S175-V179 PolarHBondContact O-N 2.91Å; R176-V179 PolarHBondContact O-N 3.3Å; V179-Q182 PolarHBondContact O-N 2.86Å; V179-H183 PolarHBondContact O-N 3.36Å
180L98.3Very high98.2Very high0 Ų069.7 Ų69.70%031%0.311CS..Hα-helixtrans-61-49.1177.4-179.465.2000111.9T116 F132 N135 Q136 L139 R176 R177 R178 Q182 H183 V184T116-L180 HydrophobicContact CG2-CD2 3.55Å; T116-L180 HydrophobicContact CG2-CG 4.39Å; F132-L180 HydrophobicContact CD2-CD1 3.65Å; F132-L180 HydrophobicContact CE2-CD1 3.61Å; F132-L180 HydrophobicContact CE2-CG 4.36Å; F132-L180 HydrophobicContact CG-CD1 4.46Å; F132-L180 HydrophobicContact CZ-CD1 4.38Å; N135-L180 HydrophobicContact CB-CB 4.42Å; N135-L180 HydrophobicContact CB-CD1 3.61Å; Q136-L180 HydrophobicContact CB-CD1 4.43Å; L139-L180 HydrophobicContact CD2-CD2 3.56Å; R176-L180 PolarHBondContact O-N 3.39Å; R177-L180 PolarHBondContact O-N 3.12Å; R178-L180 VanDerWaalsContact C-N 3.34Å; R178-L180 PolarHBondContact O-N 3.43Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.45Å; L180-H183 PolarHBondContact O-N 3.42Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 3.08Å
181L98.4Very high98.2Very high76 Ų7676.2 Ų76.240%0.39835%0.346SS..Hα-helixtrans-65.3-37.3-180-70.2174000112.5T112 R177 R178 V184 H185T112-L181 HydrophobicContact CG2-CD2 3.99Å; T112-L181 HydrophobicContact CG2-CG 4.29Å; R177-L181 HydrophobicContact CG-CD1 4.18Å; R177-L181 WeakPolarHBondContact O-CB 3.22Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.34Å; R177-L181 PolarHBondContact O-N 3.45Å; R178-L181 PolarHBondContact O-N 2.93Å; L181-V184 PolarHBondContact O-N 3.28Å; L181-H185 WeakPolarHBondContact O-CB 3.39Å; L181-H185 PolarHBondContact O-N 2.99Å
182Q98.4Very high98.1Very high122 Ų12273.1 Ų73.157%0.5734%0.338SS*.Hα-helixtrans-66-40.4176.2-175.2173.82.100111.4R178 V179 L180 H185 E186R178-Q182 VanDerWaalsContact O-CB 3.25Å; R178-Q182 WeakPolarHBondContact O-CB 3.18Å; R178-Q182 PolarHBondContact O-N 2.89Å; V179-Q182 PolarHBondContact O-N 2.86Å; L180-Q182 VanDerWaalsContact C-N 3.34Å; L180-Q182 PolarHBondContact O-N 3.45Å; Q182-H185 PolarHBondContact O-N 3.33Å; Q182-E186 WeakPolarHBondContact O-CB 3.36Å; Q182-E186 PolarHBondContact O-N 3.16Å
183H98.3Very high98.1Very high17 Ų1768.4 Ų68.48%0.07932%0.32CS..Hα-helixtrans-63.1-42.5174.9-178.9-147.8000111.6Q128 I131 F132 V179 L180 H185 E186 G187 W193Q128-H183 PolarHBondContact O-CE1 3.47Å; Q128-H183 PolarHBondContact OE1-NE2 3.35Å; I131-H183 VanDerWaalsContact CG2-CE1 3.43Å; I131-H183 WeakPolarHBondContact CG2-CE1 3.33Å; F132-H183 PolarHBondContact N-CE1 3.44Å; V179-H183 PolarHBondContact O-N 3.36Å; L180-H183 PolarHBondContact O-N 3.42Å; H183-H185 PolarHBondContact O-N 3.06Å; H183-E186 PolarHBondContact O-N 3.14Å; H183-G187 PolarHBondContact O-N 2.85Å; H183-W193 AromaticContact CE1-CH2 3.75Å; H183-W193 AromaticContact NE2-CH2 3.88Å
184V98.2Very high98Very high26 Ų2672.3 Ų72.316%0.15834%0.338CS..Hα-helixtrans-57.7-48.2172.8173.70000111.3F119 F132 L180 L181 G187 Y188 W193F119-V184 HydrophobicContact CD1-CG2 4.43Å; F119-V184 HydrophobicContact CE1-CG1 4.46Å; F119-V184 HydrophobicContact CE1-CG2 4.07Å; F119-V184 HydrophobicContact CZ-CG1 4.4Å; F132-V184 HydrophobicContact CD2-CG2 3.73Å; F132-V184 HydrophobicContact CE2-CG2 3.51Å; L180-V184 WeakPolarHBondContact O-CG2 3.34Å; L180-V184 PolarHBondContact O-N 3.08Å; L181-V184 PolarHBondContact O-N 3.28Å; V184-G187 PolarHBondContact O-N 2.95Å; V184-Y188 HydrophobicContact CG1-CD2 4.01Å; V184-Y188 HydrophobicContact CG1-CE2 3.54Å; V184-Y188 WeakPolarHBondContact O-CD2 3.48Å; V184-Y188 PolarHBondContact O-N 3.44Å; V184-W193 PolarHBondContact O-NE1 3.06Å
185H98.1Very high97.9Very high108 Ų10873.9 Ų73.950%0.534%0.342SS..Hα-helixtrans-62.6-49.6179.7-176.261.5000112.5L181 Q182 H183 G187 Y188 E189L181-H185 WeakPolarHBondContact O-CB 3.39Å; L181-H185 PolarHBondContact O-N 2.99Å; Q182-H185 PolarHBondContact O-N 3.33Å; H183-H185 PolarHBondContact O-N 3.06Å; H185-G187 PolarHBondContact O-N 2.78Å; H185-Y188 WeakPolarHBondContact O-CB 3.42Å; H185-Y188 PolarHBondContact O-N 3.24Å; H185-E189 IonicContact CD2-OE2 3.55Å; H185-E189 IonicContact NE2-OE1 2.6Å; H185-E189 IonicContact NE2-OE2 2.93Å; H185-E189 PolarHBondContact O-N 3.41Å
186E97.9Very high97.5Very high70 Ų7075.4 Ų75.433%0.32735%0.345SS..Hα-helixtrans-56.7-40176.2176.9179.2-172.400111.4Q182 H183 Y188 E189 K190Q182-E186 WeakPolarHBondContact O-CB 3.36Å; Q182-E186 PolarHBondContact O-N 3.16Å; H183-E186 PolarHBondContact O-N 3.14Å; E186-Y188 VanDerWaalsContact C-N 3.29Å; E186-Y188 PolarHBondContact O-N 2.87Å; E186-E189 PolarHBondContact O-N 3.29Å; E186-K190 HydrophobicContact CG-CD 3.84Å; E186-K190 HydrophobicContact CG-CG 4.48Å; E186-K190 WeakPolarHBondContact O-CB 3.43Å; E186-K190 PolarHBondContact O-N 2.86Å; E186-K190 IonicContact OE1-NZ 3.92Å; E186-K190 PolarHBondContact OE1-NZ 2.84Å
187G97.9Very high96.5Very high0 Ų081.9 Ų81.90%038%0.378CS..Hα-helixtrans-66.2-29.5177.600000113.6H183 V184 H185 D191 L192 W193H183-G187 PolarHBondContact O-N 2.85Å; V184-G187 PolarHBondContact O-N 2.95Å; H185-G187 PolarHBondContact O-N 2.78Å; G187-D191 PolarHBondContact O-N 3.07Å; G187-L192 PolarHBondContact O-N 3Å; G187-W193 VanDerWaalsContact C-NE1 3.26Å; G187-W193 VanDerWaalsContact CA-NE1 3.31Å
188Y97.8Very high94.5Very high132 Ų13290.6 Ų90.652%0.51843%0.429SS..Hα-helixtrans-73.8-42.7169.8-73-63.3000112.1F119 V184 H185 E186 K190 D191 W193 Y195F119-Y188 AromaticContact CE2-CZ 3.98Å; F119-Y188 VanDerWaalsContact CE2-OH 3.25Å; F119-Y188 WeakPolarHBondContact CE2-OH 3.35Å; V184-Y188 HydrophobicContact CG1-CD2 4.01Å; V184-Y188 HydrophobicContact CG1-CE2 3.54Å; V184-Y188 WeakPolarHBondContact O-CD2 3.48Å; V184-Y188 PolarHBondContact O-N 3.44Å; H185-Y188 WeakPolarHBondContact O-CB 3.42Å; H185-Y188 PolarHBondContact O-N 3.24Å; E186-Y188 VanDerWaalsContact C-N 3.29Å; E186-Y188 PolarHBondContact O-N 2.87Å; Y188-K190 VanDerWaalsContact C-N 3.26Å; Y188-K190 PolarHBondContact O-N 3.46Å; Y188-D191 PolarHBondContact O-N 3.21Å; Y188-W193 AromaticContact CD1-CD1 3.87Å; Y188-Y195 VanDerWaalsContact CE1-OH 3.28Å; Y188-Y195 WeakPolarHBondContact CE1-OH 3.46Å
189E98.3Very high94.3Very high137 Ų13787.7 Ų87.764%0.6442%0.422SS*.Hα-helixtrans-63-33.4179.9-69.8-170.9125.700113H185 E186H185-E189 IonicContact CD2-OE2 3.55Å; H185-E189 IonicContact NE2-OE1 2.6Å; H185-E189 IonicContact NE2-OE2 2.93Å; H185-E189 PolarHBondContact O-N 3.41Å; E186-E189 PolarHBondContact O-N 3.29Å
190K97.8Very high94.1Very high123 Ų12389.5 Ų89.554%0.53543%0.428SS..THydrogen-bonded Turntrans-1058.2-175.8-65.2-179.6-176.8177.30113.8E186 Y188 L192E186-K190 HydrophobicContact CG-CD 3.84Å; E186-K190 HydrophobicContact CG-CG 4.48Å; E186-K190 WeakPolarHBondContact O-CB 3.43Å; E186-K190 PolarHBondContact O-N 2.86Å; E186-K190 IonicContact OE1-NZ 3.92Å; E186-K190 PolarHBondContact OE1-NZ 2.84Å; Y188-K190 VanDerWaalsContact C-N 3.26Å; Y188-K190 PolarHBondContact O-N 3.46Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 HydrophobicContact CB-CD1 4Å; K190-L192 HydrophobicContact CB-CD2 3.96Å; K190-L192 HydrophobicContact CB-CG 3.66Å; K190-L192 HydrophobicContact CD-CD1 4.35Å; K190-L192 PolarHBondContact O-N 3.41Å
191D97.1Very high93.9Very high148 Ų14894.5 Ų94.579%0.79145%0.451SS*.THydrogen-bonded Turntrans51.847.6-179.2-160.733.3000113.2G187 Y188G187-D191 PolarHBondContact O-N 3.07Å; Y188-D191 PolarHBondContact O-N 3.21Å
192L97.1Very high93.6Very high51 Ų5195.6 Ų95.627%0.26746%0.455SS..  trans-92.1-11.8-174.8-58-178.1000113.7Q128 G187 K190Q128-L192 HydrophobicContact CG-CB 4.1Å; G187-L192 PolarHBondContact O-N 3Å; K190-L192 VanDerWaalsContact C-N 3.32Å; K190-L192 HydrophobicContact CB-CD1 4Å; K190-L192 HydrophobicContact CB-CD2 3.96Å; K190-L192 HydrophobicContact CB-CG 3.66Å; K190-L192 HydrophobicContact CD-CD1 4.35Å; K190-L192 PolarHBondContact O-N 3.41Å
193W97.6Very high93.3Very high12 Ų1293.9 Ų93.95%0.04545%0.447CS..  trans-89.1118.2-174.9-61.7123.5000110.9F119 L123 Q128 F132 H183 V184 G187 Y188 Y195F119-W193 HydrophobicContact CE1-CD2 4.29Å; F119-W193 HydrophobicContact CE1-CE3 4.34Å; F119-W193 HydrophobicContact CE1-CH2 4.35Å; F119-W193 HydrophobicContact CE1-CZ2 4.28Å; F119-W193 HydrophobicContact CE1-CZ3 4.36Å; F119-W193 AromaticContact CZ-CD2 3.65Å; F119-W193 HydrophobicContact CZ-CD2 3.65Å; F119-W193 AromaticContact CZ-CE2 3.69Å; F119-W193 HydrophobicContact CZ-CE3 4.06Å; F119-W193 AromaticContact CZ-CG 3.96Å; F119-W193 HydrophobicContact CZ-CG 3.96Å; F119-W193 HydrophobicContact CZ-CZ2 4.24Å; F119-W193 HydrophobicContact CZ-CZ3 4.5Å; F119-W193 AromaticContact CZ-NE1 3.87Å; L123-W193 HydrophobicContact CD1-CE3 4.17Å; L123-W193 HydrophobicContact CD1-CZ3 4.08Å; L123-W193 HydrophobicContact CD2-CB 4.4Å; L123-W193 HydrophobicContact CD2-CD2 4.24Å; L123-W193 HydrophobicContact CD2-CE3 3.7Å; L123-W193 HydrophobicContact CD2-CZ3 4.44Å; Q128-W193 HydrophobicContact CB-CE3 4.36Å; Q128-W193 HydrophobicContact CB-CH2 4.43Å; Q128-W193 HydrophobicContact CB-CZ3 3.89Å; F132-W193 HydrophobicContact CB-CH2 3.95Å; F132-W193 HydrophobicContact CB-CZ3 4.17Å; F132-W193 HydrophobicContact CD2-CH2 4.41Å; F132-W193 HydrophobicContact CG-CH2 4.43Å; H183-W193 AromaticContact CE1-CH2 3.75Å; H183-W193 AromaticContact NE2-CH2 3.88Å; V184-W193 PolarHBondContact O-NE1 3.06Å; G187-W193 VanDerWaalsContact C-NE1 3.26Å; G187-W193 VanDerWaalsContact CA-NE1 3.31Å; Y188-W193 AromaticContact CD1-CD1 3.87Å; W193-Y195 HydrophobicContact CB-CE1 4.31Å; W193-Y195 HydrophobicContact CB-CE2 3.92Å; W193-Y195 WeakPolarHBondContact CB-OH 3.37Å
194E96.9Very high92.9Very high82 Ų8299.1 Ų99.138%0.38347%0.472SS..  trans-98137.8167.2-68.3174.7-112.600109.3K124 N126K124-E194 HydrophobicContact CB-CB 3.94Å; K124-E194 HydrophobicContact CD-CB 4.15Å; K124-E194 WeakPolarHBondContact CE-OE2 3.3Å; K124-E194 PolarHBondContact N-O 3.29Å; K124-E194 IonicContact NZ-OE2 2.71Å; K124-E194 PolarHBondContact NZ-OE2 2.76Å; N126-E194 PolarHBondContact ND2-OE1 3.05Å
195Y95.3Very high92.6Very high98 Ų98104.3 Ų104.338%0.38449%0.494SS..BIsolated β-bridgetrans-111.1155-179.4-57-79000111.1F119 Y122 L123 Y188 W193 E197F119-Y195 HydrophobicContact CE2-CE1 4.2Å; Y122-Y195 CarbonylContact O-C 3.51Å; Y122-Y195 VanDerWaalsContact O-CA 3.23Å; Y122-Y195 WeakPolarHBondContact O-CA 2.78Å; L123-Y195 HydrophobicContact CD2-CD1 4.25Å; L123-Y195 HydrophobicContact CD2-CE1 3.99Å; Y188-Y195 VanDerWaalsContact CE1-OH 3.28Å; Y188-Y195 WeakPolarHBondContact CE1-OH 3.46Å; W193-Y195 HydrophobicContact CB-CE1 4.31Å; W193-Y195 HydrophobicContact CB-CE2 3.92Å; W193-Y195 WeakPolarHBondContact CB-OH 3.37Å; Y195-E197 PolarHBondContact O-N 2.7Å
196I90.1Very high92.1Very high75 Ų75104 Ų10439%0.38549%0.494SS..  trans-70.1126.8171.3-58173.4000107.6Y122 K124Y122-I196 PolarHBondContact O-N 2.95Å; K124-I196 HydrophobicContact CB-CG1 4.42Å
197E77.3Confident91.7Very high182 Ų182106.8 Ų106.885%0.8551%0.508SS*.  trans-81.2139.3172.3-64.6176.9176.800109.6Y195Y195-E197 PolarHBondContact O-N 2.7Å
198D56.8Low91.1Very high242 Ų242116.5 Ų116.5100%1.29455%0.554SS**  trans-69.20174.6-77.9-33.8000112.7

Retrieved 198 of 198 residues in 343.7 ms (Link to these results)

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