A0A5K4F4Z3_SCHMA Loading...

SOCS box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4Z3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 463 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
1M87.3Confident90.5Very high178 Ų17895.4 Ų95.488%0.87750%0.502SS*.  0-65.30-169.259.288.500112.5H3 Y4 L5M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.31Å; M1-Y4 WeakPolarHBondContact O-CB 3.2Å; M1-Y4 PolarHBondContact O-N 3.14Å; M1-L5 HydrophobicContact CG-CD1 4.17Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 HydrophobicContact SD-CG 4.44Å
2L89Confident90.6Very high50 Ų5088.8 Ų88.826%0.26247%0.468SS..Hα-helixtrans-55.3-41.7-176.5-17762.9000113.6Y4 L5 I6 C35 M38 L39L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 3.35Å; L2-L5 PolarHBondContact O-N 2.86Å; L2-I6 HydrophobicContact CD1-CD1 4.18Å; L2-I6 HydrophobicContact CD1-CG1 4.33Å; L2-I6 HydrophobicContact CG-CD1 3.97Å; L2-I6 HydrophobicContact CG-CG1 4.5Å; L2-I6 WeakPolarHBondContact O-CG1 3.26Å; L2-I6 PolarHBondContact O-N 3.48Å; L2-C35 HydrophobicContact CD2-CB 3.73Å; L2-M38 HydrophobicContact CB-CE 4.34Å; L2-M38 HydrophobicContact CD2-CB 4.42Å; L2-M38 HydrophobicContact CD2-CE 4.44Å; L2-M38 HydrophobicContact CG-CE 4.23Å; L2-L39 HydrophobicContact CD1-CD2 4.31Å; L2-L39 HydrophobicContact CD2-CG 4.25Å
3H89.4Confident90.7Very high110 Ų11086.8 Ų86.851%0.50945%0.454SS..Hα-helixtrans-54.8-48.5176-165.4-99.8000112M1 L5 I6 Q7 M38M1-H3 VanDerWaalsContact C-N 3.3Å; M1-H3 PolarHBondContact O-N 3.31Å; H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 2.77Å; H3-I6 PolarHBondContact O-N 2.89Å; H3-Q7 PolarHBondContact CE1-NE2 3.08Å; H3-Q7 PolarHBondContact CE1-OE1 3.07Å; H3-Q7 VanDerWaalsContact ND1-CD 3.32Å; H3-Q7 PolarHBondContact ND1-OE1 3.49Å; H3-Q7 VanDerWaalsContact ND1-OE1 3.08Å; H3-Q7 WeakPolarHBondContact O-CG 3.37Å; H3-Q7 PolarHBondContact O-N 3.14Å; H3-M38 HydrophobicContact CB-CE 3.54Å; H3-M38 VanDerWaalsContact N-CE 3.32Å
4Y93Very high90.8Very high146 Ų14688.6 Ų88.657%0.57346%0.46SS*.Hα-helixtrans-62.6-42179179.7-96.6000111.3M1 L2 Q7 N8M1-Y4 WeakPolarHBondContact O-CB 3.2Å; M1-Y4 PolarHBondContact O-N 3.14Å; L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 3.35Å; Y4-Q7 PolarHBondContact O-N 3.48Å; Y4-N8 WeakPolarHBondContact CD1-ND2 3.31Å; Y4-N8 WeakPolarHBondContact CE1-ND2 3.23Å; Y4-N8 VanDerWaalsContact CE2-ND2 3.35Å; Y4-N8 WeakPolarHBondContact CE2-ND2 3.33Å; Y4-N8 PolarHBondContact O-N 3.06Å; Y4-N8 PolarHBondContact O-ND2 3.5Å
5L92.6Very high90.9Very high69 Ų6985.1 Ų85.136%0.36145%0.445SS..Hα-helixtrans-63.1-43.3177.1-66.9175.1000112.1M1 L2 H3 N8 G9 V10M1-L5 HydrophobicContact CG-CD1 4.17Å; M1-L5 HydrophobicContact CG-CG 4.49Å; M1-L5 PolarHBondContact O-N 3.46Å; M1-L5 HydrophobicContact SD-CG 4.44Å; L2-L5 PolarHBondContact O-N 2.86Å; H3-L5 VanDerWaalsContact C-N 3.35Å; H3-L5 PolarHBondContact O-N 2.77Å; L5-N8 PolarHBondContact O-N 3.4Å; L5-G9 PolarHBondContact O-N 3.42Å; L5-V10 HydrophobicContact CB-CB 4.32Å; L5-V10 HydrophobicContact CB-CG2 3.95Å; L5-V10 HydrophobicContact CD2-CG2 4.23Å; L5-V10 VanDerWaalsContact O-CB 3.28Å; L5-V10 WeakPolarHBondContact O-CB 3.41Å; L5-V10 VanDerWaalsContact O-CG2 3.22Å; L5-V10 WeakPolarHBondContact O-CG2 3.39Å; L5-V10 PolarHBondContact O-N 3.23Å; L5-V10 VanDerWaalsContact O-N 3.13Å
6I90.7Very high90.8Very high43 Ų4382.4 Ų82.422%0.22143%0.433CS..Hα-helixtrans-64.5-43.8177.6-66.7171.1000110.7L2 H3 N8 G9 V12 M38 L39 A42L2-I6 HydrophobicContact CD1-CD1 4.18Å; L2-I6 HydrophobicContact CD1-CG1 4.33Å; L2-I6 HydrophobicContact CG-CD1 3.97Å; L2-I6 HydrophobicContact CG-CG1 4.5Å; L2-I6 WeakPolarHBondContact O-CG1 3.26Å; L2-I6 PolarHBondContact O-N 3.48Å; H3-I6 PolarHBondContact O-N 2.89Å; I6-N8 PolarHBondContact O-N 3.2Å; I6-G9 PolarHBondContact O-N 3.45Å; I6-V12 HydrophobicContact CG1-CG1 4.17Å; I6-M38 HydrophobicContact CD1-CB 4.41Å; I6-M38 HydrophobicContact CD1-CE 4.35Å; I6-L39 HydrophobicContact CD1-CD2 4.41Å; I6-A42 HydrophobicContact CD1-CB 4.09Å; I6-A42 HydrophobicContact CG2-CB 3.68Å
7Q90.4Very high90.5Very high134 Ų13484.6 Ų84.663%0.62646%0.455SS*.Hα-helixtrans-62.8-30.7176.9-74.1-179.7-46.400113.1H3 Y4 G9H3-Q7 PolarHBondContact CE1-NE2 3.08Å; H3-Q7 PolarHBondContact CE1-OE1 3.07Å; H3-Q7 VanDerWaalsContact ND1-CD 3.32Å; H3-Q7 PolarHBondContact ND1-OE1 3.49Å; H3-Q7 VanDerWaalsContact ND1-OE1 3.08Å; H3-Q7 WeakPolarHBondContact O-CG 3.37Å; H3-Q7 PolarHBondContact O-N 3.14Å; Y4-Q7 PolarHBondContact O-N 3.48Å; Q7-G9 PolarHBondContact O-N 2.93Å
8N93.6Very high90.4Very high97 Ų9785.7 Ų85.752%0.51947%0.465SS..THydrogen-bonded Turntrans-83.313.6174.4-73.4-69.7000113.5Y4 L5 I6Y4-N8 WeakPolarHBondContact CD1-ND2 3.31Å; Y4-N8 WeakPolarHBondContact CE1-ND2 3.23Å; Y4-N8 VanDerWaalsContact CE2-ND2 3.35Å; Y4-N8 WeakPolarHBondContact CE2-ND2 3.33Å; Y4-N8 PolarHBondContact O-N 3.06Å; Y4-N8 PolarHBondContact O-ND2 3.5Å; L5-N8 PolarHBondContact O-N 3.4Å; I6-N8 PolarHBondContact O-N 3.2Å
9G88Confident90.4Very high66 Ų6683.6 Ų83.668%0.6845%0.453SS*.THydrogen-bonded Turntrans77.321.7172.500000114.9L5 I6 Q7 N11L5-G9 PolarHBondContact O-N 3.42Å; I6-G9 PolarHBondContact O-N 3.45Å; Q7-G9 PolarHBondContact O-N 2.93Å; G9-N11 PolarHBondContact O-N 3.05Å
10V89.9Confident90.4Very high77 Ų7783.5 Ų83.547%0.46745%0.45SS..  trans-60.7129.9173.5171.20000109.9L5 V12L5-V10 HydrophobicContact CB-CB 4.32Å; L5-V10 HydrophobicContact CB-CG2 3.95Å; L5-V10 HydrophobicContact CD2-CG2 4.23Å; L5-V10 VanDerWaalsContact O-CB 3.28Å; L5-V10 WeakPolarHBondContact O-CB 3.41Å; L5-V10 VanDerWaalsContact O-CG2 3.22Å; L5-V10 WeakPolarHBondContact O-CG2 3.39Å; L5-V10 PolarHBondContact O-N 3.23Å; L5-V10 VanDerWaalsContact O-N 3.13Å; V10-V12 PolarHBondContact O-N 3.05Å
11N91.2Very high90.5Very high79 Ų7981.6 Ų81.642%0.42244%0.436SS..  trans-64.2106177.5-1794.8000111.2G9 H13 Q14G9-N11 PolarHBondContact O-N 3.05Å; N11-H13 PolarHBondContact O-N 3.21Å; N11-H13 VanDerWaalsContact O-N 3.16Å; N11-H13 WeakPolarHBondContact OD1-CA 3.22Å; N11-H13 WeakPolarHBondContact OD1-CB 3.36Å; N11-H13 PolarHBondContact OD1-N 2.97Å; N11-Q14 HydrophobicContact CB-CB 4.29Å; N11-Q14 PolarHBondContact ND2-OE1 3.5Å; N11-Q14 WeakPolarHBondContact O-CB 3.08Å; N11-Q14 PolarHBondContact O-N 2.95Å; N11-Q14 VanDerWaalsContact O-N 3.15Å
12V92.6Very high90.9Very high17 Ų1775.5 Ų75.510%0.10340%0.403CS..THydrogen-bonded Turntrans-66.6-13.3178.6-61.50000113.6I6 V10 P23 L39 A42 A44I6-V12 HydrophobicContact CG1-CG1 4.17Å; V10-V12 PolarHBondContact O-N 3.05Å; V12-P23 WeakPolarHBondContact O-CD 3.33Å; V12-L39 HydrophobicContact CB-CD2 4.36Å; V12-L39 HydrophobicContact CG1-CD2 4.24Å; V12-A42 HydrophobicContact CG1-CB 3.9Å; V12-A44 HydrophobicContact CB-CB 4.35Å; V12-A44 HydrophobicContact CG2-CB 4.19Å
13H91.7Very high91.1Very high62 Ų6275.1 Ų75.129%0.28740%0.404SS..THydrogen-bonded Turntrans-96.1-2177.7-55.1-72.6000113.7N11 P15 R22 G43N11-H13 PolarHBondContact O-N 3.21Å; N11-H13 VanDerWaalsContact O-N 3.16Å; N11-H13 WeakPolarHBondContact OD1-CA 3.22Å; N11-H13 WeakPolarHBondContact OD1-CB 3.36Å; N11-H13 PolarHBondContact OD1-N 2.97Å; H13-P15 WeakPolarHBondContact O-CD 3.46Å; H13-P15 VanDerWaalsContact O-N 3.1Å; H13-R22 VanDerWaalsContact O-CD 3.26Å; H13-R22 WeakPolarHBondContact O-CD 3.45Å; H13-R22 WeakPolarHBondContact O-CG 3.27Å; H13-R22 PolarHBondContact O-NE 3.29Å; H13-G43 PolarHBondContact CE1-O 3.23Å; H13-G43 PolarHBondContact NE2-O 2.99Å
14Q91.5Very high91.3Very high113 Ų11369.9 Ų69.953%0.52838%0.38SS..  trans-60.4115.1-173.9-170.663.133.700110.6N11 P23N11-Q14 HydrophobicContact CB-CB 4.29Å; N11-Q14 PolarHBondContact ND2-OE1 3.5Å; N11-Q14 WeakPolarHBondContact O-CB 3.08Å; N11-Q14 PolarHBondContact O-N 2.95Å; N11-Q14 VanDerWaalsContact O-N 3.15Å; Q14-P23 WeakPolarHBondContact O-CD 3.37Å
15P92.4Very high91.4Very high36 Ų3663 Ų6323%0.23435%0.353CS..  trans-81.1151.4177.532.6-32.3000110.9H13 Q20 R22H13-P15 WeakPolarHBondContact O-CD 3.46Å; H13-P15 VanDerWaalsContact O-N 3.1Å; P15-Q20 HydrophobicContact CB-CB 4.37Å; P15-Q20 VanDerWaalsContact CG-OE1 3.28Å; P15-R22 HydrophobicContact CB-CG 4.25Å
16T89.9Confident91.4Very high41 Ų4163.9 Ų63.925%0.25235%0.352SS..  trans-68.6145.6166.354.90000111.2T18 Q20 R21 Y26T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 3.4Å; T16-Q20 VanDerWaalsContact O-CA 3.24Å; T16-Q20 WeakPolarHBondContact O-CA 3.45Å; T16-Q20 PolarHBondContact O-N 3.25Å; T16-R21 PolarHBondContact N-O 3.01Å; T16-R21 PolarHBondContact OG1-N 3.2Å; T16-R21 VanDerWaalsContact OG1-N 3.08Å; T16-R21 PolarHBondContact OG1-O 3.33Å; T16-Y26 HydrophobicContact CG2-CE2 3.79Å
17C84.7Confident91.5Very high120 Ų12062.1 Ų62.181%0.81134%0.344SS*.THydrogen-bonded Turntrans-62.8-31-177.852.50000113.6
18T88.7Confident91.7Very high104 Ų10455.8 Ų55.864%0.63831%0.314SS*.THydrogen-bonded Turntrans-87.7-51.2-173.851.70000113T16T16-T18 VanDerWaalsContact C-N 3.26Å; T16-T18 PolarHBondContact O-N 3.4Å
19L90.8Very high91.5Very high47 Ų4754.5 Ų54.525%0.24631%0.307CS..THydrogen-bonded Turntrans-110.53.3-171.2-63.2-179.8000113.4R21 D50 T51 F52L19-R21 HydrophobicContact CB-CB 4.45Å; L19-R21 HydrophobicContact CB-CG 3.82Å; L19-R21 PolarHBondContact O-N 3.39Å; L19-D50 WeakPolarHBondContact O-CB 3.28Å; L19-T51 WeakPolarHBondContact CA-OG1 3.36Å; L19-T51 WeakPolarHBondContact O-CG2 3.26Å; L19-T51 PolarHBondContact O-N 3.41Å; L19-T51 PolarHBondContact O-OG1 3.38Å; L19-T51 VanDerWaalsContact O-OG1 3.13Å; L19-F52 HydrophobicContact CD2-CE2 3.82Å; L19-F52 HydrophobicContact CD2-CZ 4.23Å
20Q91.4Very high91.7Very high81 Ų8160 Ų6038%0.37931%0.307SS..  trans51.425.5-172-63.3-71.8-30.500113.3P15 T16 R22 T51P15-Q20 HydrophobicContact CB-CB 4.37Å; P15-Q20 VanDerWaalsContact CG-OE1 3.28Å; T16-Q20 VanDerWaalsContact O-CA 3.24Å; T16-Q20 WeakPolarHBondContact O-CA 3.45Å; T16-Q20 PolarHBondContact O-N 3.25Å; Q20-R22 PolarHBondContact O-N 3.03Å; Q20-T51 HydrophobicContact CB-CG2 3.95Å; Q20-T51 HydrophobicContact CG-CG2 3.77Å
21R92.6Very high91.6Very high43 Ų4360.4 Ų60.416%0.16230%0.304CS..  trans-78.4120-179-76.5177174.4170.1-2.3108.8T16 L19 H25 Y26 D50 Y59T16-R21 PolarHBondContact N-O 3.01Å; T16-R21 PolarHBondContact OG1-N 3.2Å; T16-R21 VanDerWaalsContact OG1-N 3.08Å; T16-R21 PolarHBondContact OG1-O 3.33Å; L19-R21 HydrophobicContact CB-CB 4.45Å; L19-R21 HydrophobicContact CB-CG 3.82Å; L19-R21 PolarHBondContact O-N 3.39Å; R21-H25 HydrophobicContact CB-CB 4.23Å; R21-H25 HydrophobicContact CG-CB 4.23Å; R21-Y26 HydrophobicContact CB-CD2 4.18Å; R21-Y26 HydrophobicContact CB-CE2 3.46Å; R21-Y26 VanDerWaalsContact CB-CE2 3.46Å; R21-D50 HydrophobicContact CG-CB 3.82Å; R21-D50 IonicContact NE-OD2 3.82Å; R21-Y59 PolarHBondContact NE-OH 3.2Å; R21-Y59 PolarHBondContact NH2-OH 3.49Å
22R93.9Very high91.7Very high50 Ų5061.2 Ų61.219%0.18931%0.305CS..  trans-81.5160169.7-60.9-175.9-176.2730.7111.5H13 P15 Q20 V24 H25 R49H13-R22 VanDerWaalsContact O-CD 3.26Å; H13-R22 WeakPolarHBondContact O-CD 3.45Å; H13-R22 WeakPolarHBondContact O-CG 3.27Å; H13-R22 PolarHBondContact O-NE 3.29Å; P15-R22 HydrophobicContact CB-CG 4.25Å; Q20-R22 PolarHBondContact O-N 3.03Å; R22-V24 HydrophobicContact CB-CG2 4.08Å; R22-V24 PolarHBondContact O-N 3.47Å; R22-H25 PolarHBondContact N-ND1 2.94Å; R22-H25 WeakPolarHBondContact O-CB 3.3Å; R22-H25 PolarHBondContact O-N 3.46Å; R22-H25 PolarHBondContact O-ND1 2.8Å; R22-R49 PolarHBondContact NH1-O 3.23Å
23P93.4Very high91.7Very high42 Ų4262.8 Ų62.827%0.27331%0.314SS..Hα-helixtrans-45.7-38.5177.9-32.235.3000114.9V12 Q14 H25 Y26 A27 L39V12-P23 WeakPolarHBondContact O-CD 3.33Å; Q14-P23 WeakPolarHBondContact O-CD 3.37Å; P23-H25 VanDerWaalsContact C-N 3.29Å; P23-H25 PolarHBondContact O-N 3.08Å; P23-Y26 PolarHBondContact O-N 3.35Å; P23-Y26 VanDerWaalsContact O-N 3.1Å; P23-A27 PolarHBondContact O-N 3.39Å; P23-L39 HydrophobicContact CB-CD1 3.75Å; P23-L39 HydrophobicContact CB-CD2 3.71Å; P23-L39 HydrophobicContact CB-CG 4.4Å
24V95Very high91.8Very high1 Ų164.1 Ų64.11%0.00633%0.331CS..Hα-helixtrans-59.5-34.6177.3-680000113.6R22 A28 L36 L39 A44 A48 P56R22-V24 HydrophobicContact CB-CG2 4.08Å; R22-V24 PolarHBondContact O-N 3.47Å; V24-A28 WeakPolarHBondContact O-CB 3.23Å; V24-A28 PolarHBondContact O-N 3.12Å; V24-L36 HydrophobicContact CB-CD1 4.07Å; V24-L36 HydrophobicContact CG1-CD1 4.03Å; V24-L39 HydrophobicContact CG1-CB 3.98Å; V24-L39 HydrophobicContact CG1-CD1 4.18Å; V24-A44 HydrophobicContact CG1-CB 3.43Å; V24-A44 VanDerWaalsContact CG1-CB 3.43Å; V24-A48 HydrophobicContact CG2-CB 3.86Å; V24-P56 HydrophobicContact CB-CG 3.89Å; V24-P56 HydrophobicContact CG2-CG 3.74Å
25H94.6Very high91.9Very high1 Ų160.6 Ų60.61%0.00532%0.318CS..Hα-helixtrans-69.2-38.3176.1-57.694.8000111.2R21 R22 P23 A28 L29 A48 D50 N54 Y59R21-H25 HydrophobicContact CB-CB 4.23Å; R21-H25 HydrophobicContact CG-CB 4.23Å; R22-H25 PolarHBondContact N-ND1 2.94Å; R22-H25 WeakPolarHBondContact O-CB 3.3Å; R22-H25 PolarHBondContact O-N 3.46Å; R22-H25 PolarHBondContact O-ND1 2.8Å; P23-H25 VanDerWaalsContact C-N 3.29Å; P23-H25 PolarHBondContact O-N 3.08Å; H25-A28 PolarHBondContact O-N 3.45Å; H25-L29 WeakPolarHBondContact O-CB 3.2Å; H25-L29 PolarHBondContact O-N 3.04Å; H25-A48 PolarHBondContact NE2-O 3.43Å; H25-D50 PolarHBondContact NE2-N 3.13Å; H25-N54 PolarHBondContact NE2-O 3.26Å; H25-Y59 HydrophobicContact CB-CE2 4.32Å; H25-Y59 AromaticContact CD2-CE2 3.92Å
26Y92.7Very high91.9Very high88 Ų8858.9 Ų58.935%0.34531%0.307SS..Hα-helixtrans-72-38.4177-72.7-77.2000111.7T16 R21 P23 A28 L29 R30T16-Y26 HydrophobicContact CG2-CE2 3.79Å; R21-Y26 HydrophobicContact CB-CD2 4.18Å; R21-Y26 HydrophobicContact CB-CE2 3.46Å; R21-Y26 VanDerWaalsContact CB-CE2 3.46Å; P23-Y26 PolarHBondContact O-N 3.35Å; P23-Y26 VanDerWaalsContact O-N 3.1Å; Y26-A28 VanDerWaalsContact C-N 3.25Å; Y26-A28 PolarHBondContact O-N 3.17Å; Y26-L29 PolarHBondContact O-N 3.35Å; Y26-R30 VanDerWaalsContact O-CB 3.24Å; Y26-R30 WeakPolarHBondContact O-CB 3.49Å; Y26-R30 WeakPolarHBondContact O-CG 3.19Å; Y26-R30 PolarHBondContact O-N 2.97Å
27A93Very high92.1Very high6 Ų660 Ų605%0.0531%0.31CS..Hα-helixtrans-58.6-42.2171.800000110.6P23 Q31 Q32 C35 L36 L39P23-A27 PolarHBondContact O-N 3.39Å; A27-Q31 PolarHBondContact O-N 3.09Å; A27-Q32 PolarHBondContact O-N 3.02Å; A27-C35 HydrophobicContact CB-CB 4.35Å; A27-L36 HydrophobicContact CB-CB 3.98Å; A27-L36 HydrophobicContact CB-CD1 4.29Å; A27-L39 HydrophobicContact CB-CD1 3.89Å
28A93.7Very high92.6Very high0 Ų057 Ų570%028%0.284CS..Hα-helixtrans-69.4-48.4176.400000113.4V24 H25 Y26 R30 Q31 P56 L68V24-A28 WeakPolarHBondContact O-CB 3.23Å; V24-A28 PolarHBondContact O-N 3.12Å; H25-A28 PolarHBondContact O-N 3.45Å; Y26-A28 VanDerWaalsContact C-N 3.25Å; Y26-A28 PolarHBondContact O-N 3.17Å; A28-R30 PolarHBondContact O-N 3.42Å; A28-Q31 PolarHBondContact O-N 3.19Å; A28-Q31 VanDerWaalsContact O-N 3.14Å; A28-P56 HydrophobicContact CB-CB 3.91Å; A28-P56 WeakPolarHBondContact CB-O 3.36Å; A28-L68 VanDerWaalsContact CA-CD2 3.46Å; A28-L68 HydrophobicContact CB-CD2 3.89Å; A28-L68 VanDerWaalsContact O-CD2 3.29Å; A28-L68 WeakPolarHBondContact O-CD2 3.49Å
29L90.9Very high92.9Very high71 Ų7152.2 Ų52.237%0.37226%0.255SS..Hα-helixtrans-60.2-30178.7-177.369.6000112.8H25 Y26 Y59H25-L29 WeakPolarHBondContact O-CB 3.2Å; H25-L29 PolarHBondContact O-N 3.04Å; Y26-L29 PolarHBondContact O-N 3.35Å; L29-Y59 HydrophobicContact CB-CD1 4.44Å; L29-Y59 HydrophobicContact CD1-CD1 3.7Å; L29-Y59 HydrophobicContact CD1-CE1 3.96Å
30R90.4Very high93Very high182 Ų18251.1 Ų51.169%0.68725%0.249SC*.THydrogen-bonded Turntrans-101.89.4-178.7-56.3-70.8-97.8-153.1-5.1113Y26 A28 Q32Y26-R30 VanDerWaalsContact O-CB 3.24Å; Y26-R30 WeakPolarHBondContact O-CB 3.49Å; Y26-R30 WeakPolarHBondContact O-CG 3.19Å; Y26-R30 PolarHBondContact O-N 2.97Å; A28-R30 PolarHBondContact O-N 3.42Å; R30-Q32 HydrophobicContact CB-CG 3.93Å; R30-Q32 WeakPolarHBondContact O-CG 3.37Å; R30-Q32 PolarHBondContact O-N 3.42Å; R30-Q32 PolarHBondContact O-NE2 3.09Å; R30-Q32 VanDerWaalsContact O-NE2 3.15Å
31Q89.2Confident93.1Very high84 Ų8453 Ų5339%0.39326%0.262SS..THydrogen-bonded Turntrans5337179.3-55.7174.343.500113.7A27 A28 V33 D63 D65A27-Q31 PolarHBondContact O-N 3.09Å; A28-Q31 PolarHBondContact O-N 3.19Å; A28-Q31 VanDerWaalsContact O-N 3.14Å; Q31-V33 PolarHBondContact O-N 3.01Å; Q31-D63 VanDerWaalsContact CD-CG 3.44Å; Q31-D63 WeakPolarHBondContact CG-OD2 3.45Å; Q31-D63 PolarHBondContact NE2-OD1 3.04Å; Q31-D63 PolarHBondContact NE2-OD2 3.23Å; Q31-D63 PolarHBondContact OE1-OD2 3.21Å; Q31-D65 HydrophobicContact CG-CB 4.17Å
32Q92Very high93.2Very high97 Ų9752.8 Ų52.845%0.45327%0.269SS..  trans-92.181-177.4-62.8-63.7-50.800110.3A27 R30 S34 C35 L36A27-Q32 PolarHBondContact O-N 3.02Å; R30-Q32 HydrophobicContact CB-CG 3.93Å; R30-Q32 WeakPolarHBondContact O-CG 3.37Å; R30-Q32 PolarHBondContact O-N 3.42Å; R30-Q32 PolarHBondContact O-NE2 3.09Å; R30-Q32 VanDerWaalsContact O-NE2 3.15Å; Q32-S34 PolarHBondContact O-N 3.48Å; Q32-C35 HydrophobicContact CB-CB 3.66Å; Q32-C35 PolarHBondContact O-N 3.45Å; Q32-L36 PolarHBondContact O-N 3.48Å
33V93.1Very high93.1Very high49 Ų4952.7 Ų52.730%0.29728%0.284SS..Hα-helixtrans-54.5-49.2-178.4-176.50000111.8Q31 C35 L36 Q37 L68 L71Q31-V33 PolarHBondContact O-N 3.01Å; V33-C35 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.42Å; V33-Q37 PolarHBondContact O-N 3.44Å; V33-L68 HydrophobicContact CG2-CB 4.21Å; V33-L68 HydrophobicContact CG2-CD1 4.49Å; V33-L71 HydrophobicContact CG1-CD1 3.64Å
34S93Very high93.2Very high91 Ų9151.1 Ų51.164%0.63627%0.274SS*.Hα-helixtrans-63.5-41.3179.8-50.70000112.4Q32 L36 Q37 M38Q32-S34 PolarHBondContact O-N 3.48Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-Q37 PolarHBondContact O-N 3.04Å; S34-M38 VanDerWaalsContact O-CG 3.3Å; S34-M38 WeakPolarHBondContact O-CG 3.23Å; S34-M38 PolarHBondContact O-N 3.4Å
35C93.6Very high93.2Very high38 Ų3856.2 Ų56.226%0.25730%0.298SS..Hα-helixtrans-65.4-40.2176.6-65.70000111.3L2 A27 Q32 V33 M38 L39L2-C35 HydrophobicContact CD2-CB 3.73Å; A27-C35 HydrophobicContact CB-CB 4.35Å; Q32-C35 HydrophobicContact CB-CB 3.66Å; Q32-C35 PolarHBondContact O-N 3.45Å; V33-C35 PolarHBondContact O-N 3.3Å; C35-M38 PolarHBondContact O-N 3.24Å; C35-L39 VanDerWaalsContact O-CG 3.23Å; C35-L39 WeakPolarHBondContact O-CG 3.43Å; C35-L39 PolarHBondContact O-N 3.36Å
36L94Very high93.2Very high0 Ų057.7 Ų57.70%031%0.305CS..Hα-helixtrans-64.4-45.3176.5-176.763.7000111.1V24 A27 Q32 V33 S34 M38 L39 L40 L68 L71 L72V24-L36 HydrophobicContact CB-CD1 4.07Å; V24-L36 HydrophobicContact CG1-CD1 4.03Å; A27-L36 HydrophobicContact CB-CB 3.98Å; A27-L36 HydrophobicContact CB-CD1 4.29Å; Q32-L36 PolarHBondContact O-N 3.48Å; V33-L36 PolarHBondContact O-N 3.42Å; S34-L36 VanDerWaalsContact C-N 3.35Å; L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 PolarHBondContact O-N 3.05Å; L36-L39 PolarHBondContact O-N 2.89Å; L36-L39 VanDerWaalsContact O-N 3.14Å; L36-L40 HydrophobicContact CD1-CG 4.27Å; L36-L40 HydrophobicContact CG-CD1 4.24Å; L36-L40 HydrophobicContact CG-CG 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.14Å; L36-L68 HydrophobicContact CB-CD1 4.08Å; L36-L68 HydrophobicContact CD2-CD1 3.39Å; L36-L68 HydrophobicContact CD2-CG 4.15Å; L36-L68 HydrophobicContact CG-CD1 4.37Å; L36-L71 HydrophobicContact CD2-CD2 3.72Å; L36-L71 HydrophobicContact CG-CD2 3.95Å; L36-L72 HydrophobicContact CD1-CD2 4.43Å; L36-L72 HydrophobicContact CD2-CD1 4.16Å; L36-L72 HydrophobicContact CD2-CD2 3.62Å; L36-L72 HydrophobicContact CD2-CG 3.66Å
37Q94.1Very high93.4Very high65 Ų6556.1 Ų56.130%0.30430%0.303SS..Hα-helixtrans-56.7-44.7176.2-169.860.763.100111.4V33 S34 L39 L40 N41 L71V33-Q37 PolarHBondContact O-N 3.44Å; S34-Q37 PolarHBondContact O-N 3.04Å; Q37-L39 PolarHBondContact O-N 3.24Å; Q37-L40 PolarHBondContact O-N 2.92Å; Q37-N41 PolarHBondContact NE2-OD1 3.41Å; Q37-N41 WeakPolarHBondContact O-CB 3.25Å; Q37-N41 PolarHBondContact O-N 2.96Å; Q37-N41 PolarHBondContact O-OD1 3.38Å; Q37-L71 HydrophobicContact CB-CD1 4Å; Q37-L71 VanDerWaalsContact OE1-CD1 3.24Å
38M93.9Very high93.6Very high56 Ų5655.9 Ų55.928%0.27630%0.301SS..Hα-helixtrans-63.8-40.7177.4-72.1178.656.700112.9L2 H3 I6 S34 C35 L36 N41 A42L2-M38 HydrophobicContact CB-CE 4.34Å; L2-M38 HydrophobicContact CD2-CB 4.42Å; L2-M38 HydrophobicContact CD2-CE 4.44Å; L2-M38 HydrophobicContact CG-CE 4.23Å; H3-M38 HydrophobicContact CB-CE 3.54Å; H3-M38 VanDerWaalsContact N-CE 3.32Å; I6-M38 HydrophobicContact CD1-CB 4.41Å; I6-M38 HydrophobicContact CD1-CE 4.35Å; S34-M38 VanDerWaalsContact O-CG 3.3Å; S34-M38 WeakPolarHBondContact O-CG 3.23Å; S34-M38 PolarHBondContact O-N 3.4Å; C35-M38 PolarHBondContact O-N 3.24Å; L36-M38 VanDerWaalsContact C-N 3.28Å; L36-M38 PolarHBondContact O-N 3.05Å; M38-N41 PolarHBondContact O-N 3.34Å; M38-A42 WeakPolarHBondContact O-CB 3.35Å; M38-A42 PolarHBondContact O-N 3.33Å
39L95.1Very high93.7Very high5 Ų562.8 Ų62.83%0.02633%0.327CS..Hα-helixtrans-65.1-43177.1-72.3167.3000111.4L2 I6 V12 P23 V24 A27 C35 L36 Q37 A42 G43 A44L2-L39 HydrophobicContact CD1-CD2 4.31Å; L2-L39 HydrophobicContact CD2-CG 4.25Å; I6-L39 HydrophobicContact CD1-CD2 4.41Å; V12-L39 HydrophobicContact CB-CD2 4.36Å; V12-L39 HydrophobicContact CG1-CD2 4.24Å; P23-L39 HydrophobicContact CB-CD1 3.75Å; P23-L39 HydrophobicContact CB-CD2 3.71Å; P23-L39 HydrophobicContact CB-CG 4.4Å; V24-L39 HydrophobicContact CG1-CB 3.98Å; V24-L39 HydrophobicContact CG1-CD1 4.18Å; A27-L39 HydrophobicContact CB-CD1 3.89Å; C35-L39 VanDerWaalsContact O-CG 3.23Å; C35-L39 WeakPolarHBondContact O-CG 3.43Å; C35-L39 PolarHBondContact O-N 3.36Å; L36-L39 PolarHBondContact O-N 2.89Å; L36-L39 VanDerWaalsContact O-N 3.14Å; Q37-L39 PolarHBondContact O-N 3.24Å; L39-A42 CarbonylContact O-C 3.55Å; L39-A42 PolarHBondContact O-N 3.05Å; L39-G43 PolarHBondContact O-N 3.47Å; L39-A44 HydrophobicContact CB-CB 4.03Å; L39-A44 WeakPolarHBondContact O-CB 3.39Å; L39-A44 PolarHBondContact O-N 3.17Å
40L94.3Very high94Very high23 Ų2359.9 Ų59.912%0.1231%0.312CS..Hα-helixtrans-64.8-42.5176.8-66.5-179.5000111.5L36 Q37 A42 G43 I46 L71 N75L36-L40 HydrophobicContact CD1-CG 4.27Å; L36-L40 HydrophobicContact CG-CD1 4.24Å; L36-L40 HydrophobicContact CG-CG 4.35Å; L36-L40 WeakPolarHBondContact O-CG 3.36Å; L36-L40 PolarHBondContact O-N 3.14Å; Q37-L40 PolarHBondContact O-N 2.92Å; L40-A42 PolarHBondContact O-N 3.32Å; L40-G43 PolarHBondContact O-N 2.97Å; L40-I46 HydrophobicContact CD1-CD1 4.36Å; L40-I46 HydrophobicContact CD2-CB 4Å; L40-I46 HydrophobicContact CD2-CD1 4.42Å; L40-I46 HydrophobicContact CD2-CG1 4.08Å; L40-L71 HydrophobicContact CD1-CD2 3.42Å; L40-L71 VanDerWaalsContact CD1-CD2 3.42Å; L40-N75 HydrophobicContact CD1-CB 4.14Å
41N93.6Very high94.2Very high122 Ų12254 Ų5465%0.65230%0.297SS*.Hα-helixtrans-61.8-28.6174.8-68.91.4000112.4Q37 M38 G43Q37-N41 PolarHBondContact NE2-OD1 3.41Å; Q37-N41 WeakPolarHBondContact O-CB 3.25Å; Q37-N41 PolarHBondContact O-N 2.96Å; Q37-N41 PolarHBondContact O-OD1 3.38Å; M38-N41 PolarHBondContact O-N 3.34Å; N41-G43 PolarHBondContact O-N 3.39Å
42A93.4Very high94.6Very high38 Ų3854.6 Ų54.631%0.31430%0.298SS..THydrogen-bonded Turntrans-848.7174.800000113.7I6 V12 M38 L39 L40I6-A42 HydrophobicContact CD1-CB 4.09Å; I6-A42 HydrophobicContact CG2-CB 3.68Å; V12-A42 HydrophobicContact CG1-CB 3.9Å; M38-A42 WeakPolarHBondContact O-CB 3.35Å; M38-A42 PolarHBondContact O-N 3.33Å; L39-A42 CarbonylContact O-C 3.55Å; L39-A42 PolarHBondContact O-N 3.05Å; L40-A42 PolarHBondContact O-N 3.32Å
43G92.8Very high94.8Very high48 Ų4850.3 Ų50.350%0.49528%0.28SS..THydrogen-bonded Turntrans87.911.9175.900000115H13 L39 L40 N41 Q45H13-G43 PolarHBondContact CE1-O 3.23Å; H13-G43 PolarHBondContact NE2-O 2.99Å; L39-G43 PolarHBondContact O-N 3.47Å; L40-G43 PolarHBondContact O-N 2.97Å; N41-G43 PolarHBondContact O-N 3.39Å; G43-Q45 PolarHBondContact O-N 3.15Å
44A94.5Very high95Very high9 Ų948.8 Ų48.87%0.07427%0.27CS..  trans-60.7138.7178.200000111.9V12 V24 L39 I46V12-A44 HydrophobicContact CB-CB 4.35Å; V12-A44 HydrophobicContact CG2-CB 4.19Å; V24-A44 HydrophobicContact CG1-CB 3.43Å; V24-A44 VanDerWaalsContact CG1-CB 3.43Å; L39-A44 HydrophobicContact CB-CB 4.03Å; L39-A44 WeakPolarHBondContact O-CB 3.39Å; L39-A44 PolarHBondContact O-N 3.17Å; A44-I46 PolarHBondContact O-N 2.96Å
45Q95.3Very high95.2Very high108 Ų10844.4 Ų44.451%0.50524%0.24SC..  trans-66.9116.8179.4-74.7172.4-300110.7G43 D47 A48G43-Q45 PolarHBondContact O-N 3.15Å; Q45-D47 VanDerWaalsContact C-N 3.33Å; Q45-D47 PolarHBondContact O-N 3.16Å; Q45-A48 HydrophobicContact CB-CB 4.15Å; Q45-A48 WeakPolarHBondContact O-CB 3.32Å; Q45-A48 PolarHBondContact O-N 2.96Å
46I95.6Very high95.3Very high31 Ų3142.6 Ų42.616%0.15923%0.228CC..THydrogen-bonded Turntrans-63.9-37.4-177.5-164.9165000112.9L40 A44 P56 L72 N75 A77L40-I46 HydrophobicContact CD1-CD1 4.36Å; L40-I46 HydrophobicContact CD2-CB 4Å; L40-I46 HydrophobicContact CD2-CD1 4.42Å; L40-I46 HydrophobicContact CD2-CG1 4.08Å; A44-I46 PolarHBondContact O-N 2.96Å; I46-P56 VanDerWaalsContact O-CD 3.31Å; I46-P56 WeakPolarHBondContact O-CD 3.39Å; I46-P56 WeakPolarHBondContact O-CG 3.31Å; I46-L72 HydrophobicContact CD1-CD2 4.23Å; I46-L72 WeakPolarHBondContact CD1-O 3.35Å; I46-L72 HydrophobicContact CG1-CD2 3.77Å; I46-N75 HydrophobicContact CD1-CB 3.47Å; I46-N75 VanDerWaalsContact CD1-CB 3.47Å; I46-N75 VanDerWaalsContact CD1-O 3.31Å; I46-N75 WeakPolarHBondContact CD1-O 3.41Å; I46-A77 HydrophobicContact CD1-CB 3.85Å; I46-A77 HydrophobicContact CG1-CB 3.92Å
47D96.4Very high95.4Very high56 Ų5642.7 Ų42.730%0.29923%0.228SC..THydrogen-bonded Turntrans-101.629.4178.1-69.2-33.7000112.2Q45 R49 T55 C78Q45-D47 VanDerWaalsContact C-N 3.33Å; Q45-D47 PolarHBondContact O-N 3.16Å; D47-R49 PolarHBondContact O-N 3.32Å; D47-T55 HydrophobicContact CB-CG2 4.41Å; D47-C78 PolarHBondContact OD1-N 3.17Å; D47-C78 VanDerWaalsContact OD1-N 3.09Å; D47-C78 VanDerWaalsContact OD2-CB 3.23Å; D47-C78 WeakPolarHBondContact OD2-CB 3.22Å; D47-C78 PolarHBondContact OD2-N 3.09Å
48A96.3Very high95.6Very high1 Ų139.6 Ų39.61%0.00821%0.214CC..  trans-51.6138.3169.800000110V24 H25 Q45 T55 P56V24-A48 HydrophobicContact CG2-CB 3.86Å; H25-A48 PolarHBondContact NE2-O 3.43Å; Q45-A48 HydrophobicContact CB-CB 4.15Å; Q45-A48 WeakPolarHBondContact O-CB 3.32Å; Q45-A48 PolarHBondContact O-N 2.96Å; A48-T55 WeakPolarHBondContact O-CA 3.33Å; A48-P56 WeakPolarHBondContact O-CD 3.45Å
49R96.7Very high95.7Very high144 Ų14438 Ų3854%0.54321%0.205SC..  trans-109.7138.1177.4-67.7-174.1177.5157.21111R22 D47 T55R22-R49 PolarHBondContact NH1-O 3.23Å; D47-R49 PolarHBondContact O-N 3.32Å; R49-T55 HydrophobicContact CG-CG2 4.13Å
50D96.2Very high95.7Very high10 Ų1037.8 Ų37.85%0.05320%0.203CC..  trans-87.3-175.3169.374.63.5000112L19 R21 H25 F52 G53 N54 Y59L19-D50 WeakPolarHBondContact O-CB 3.28Å; R21-D50 HydrophobicContact CG-CB 3.82Å; R21-D50 IonicContact NE-OD2 3.82Å; H25-D50 PolarHBondContact NE2-N 3.13Å; D50-F52 PolarHBondContact O-N 3.15Å; D50-F52 VanDerWaalsContact O-N 3.15Å; D50-F52 WeakPolarHBondContact OD1-CA 3.15Å; D50-F52 PolarHBondContact OD1-N 3.49Å; D50-G53 PolarHBondContact O-N 2.92Å; D50-G53 PolarHBondContact OD1-N 2.77Å; D50-G53 VanDerWaalsContact OD1-N 3.11Å; D50-N54 PolarHBondContact N-O 3.32Å; D50-N54 PolarHBondContact OD1-N 3.02Å; D50-Y59 PolarHBondContact OD2-OH 3.36Å
51T96Very high95.8Very high60 Ų6036.7 Ų36.737%0.36820%0.198SC..THydrogen-bonded Turntrans-58.9-23.2178.644.50000114.1L19 Q20L19-T51 WeakPolarHBondContact CA-OG1 3.36Å; L19-T51 WeakPolarHBondContact O-CG2 3.26Å; L19-T51 PolarHBondContact O-N 3.41Å; L19-T51 PolarHBondContact O-OG1 3.38Å; L19-T51 VanDerWaalsContact O-OG1 3.13Å; Q20-T51 HydrophobicContact CB-CG2 3.95Å; Q20-T51 HydrophobicContact CG-CG2 3.77Å
52F95.7Very high95.9Very high95 Ų9534.1 Ų34.142%0.41718%0.182SC..THydrogen-bonded Turntrans-97.97.6177.5-55.2-70.2000112L19 D50 N54 D83 I84L19-F52 HydrophobicContact CD2-CE2 3.82Å; L19-F52 HydrophobicContact CD2-CZ 4.23Å; D50-F52 PolarHBondContact O-N 3.15Å; D50-F52 VanDerWaalsContact O-N 3.15Å; D50-F52 WeakPolarHBondContact OD1-CA 3.15Å; D50-F52 PolarHBondContact OD1-N 3.49Å; F52-N54 WeakPolarHBondContact CB-ND2 3.49Å; F52-N54 PolarHBondContact O-N 3.32Å; F52-D83 WeakPolarHBondContact O-CB 3.18Å; F52-I84 VanDerWaalsContact C-CG2 3.48Å; F52-I84 HydrophobicContact CD1-CD1 4.2Å; F52-I84 WeakPolarHBondContact O-CG1 3.44Å; F52-I84 WeakPolarHBondContact O-CG2 3.36Å; F52-I84 PolarHBondContact O-N 2.92Å
53G96.5Very high95.7Very high8 Ų835 Ų358%0.08218%0.181CC..  trans72.44.7-178.200000113.9D50 T55D50-G53 PolarHBondContact O-N 2.92Å; D50-G53 PolarHBondContact OD1-N 2.77Å; D50-G53 VanDerWaalsContact OD1-N 3.11Å; G53-T55 PolarHBondContact O-N 3.16Å
54N97.4Very high95.3Very high16 Ų1633.6 Ų33.69%0.08617%0.167CC..  trans-71.1135179.1-68-64.1000109.3H25 D50 F52 H58 Y59H25-N54 PolarHBondContact NE2-O 3.26Å; D50-N54 PolarHBondContact N-O 3.32Å; D50-N54 PolarHBondContact OD1-N 3.02Å; F52-N54 WeakPolarHBondContact CB-ND2 3.49Å; F52-N54 PolarHBondContact O-N 3.32Å; N54-H58 HydrophobicContact CB-CB 4.02Å; N54-Y59 HydrophobicContact CB-CD2 4.36Å; N54-Y59 HydrophobicContact CB-CE2 3.68Å
55T97.3Very high94.4Very high0 Ų035.1 Ų35.10%017%0.174CC..  trans-90.7164.1168.166.40000110.8D47 A48 R49 G53 L57 H58 Y59 A81D47-T55 HydrophobicContact CB-CG2 4.41Å; A48-T55 WeakPolarHBondContact O-CA 3.33Å; R49-T55 HydrophobicContact CG-CG2 4.13Å; G53-T55 PolarHBondContact O-N 3.16Å; T55-L57 PolarHBondContact O-N 3.29Å; T55-L57 VanDerWaalsContact O-N 3.1Å; T55-L57 PolarHBondContact OG1-N 3.03Å; T55-H58 PolarHBondContact N-ND1 3.28Å; T55-H58 VanDerWaalsContact N-ND1 3.13Å; T55-H58 WeakPolarHBondContact O-CB 3.36Å; T55-H58 PolarHBondContact O-N 3.28Å; T55-H58 PolarHBondContact OG1-ND1 3.02Å; T55-Y59 WeakPolarHBondContact O-CD2 3.19Å; T55-A81 HydrophobicContact CG2-CB 3.85Å
56P95.9Very high93.7Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-48.3-34.9168.9-31.337.3000113.5V24 A28 I46 A48 H58 Y59 A60 L72V24-P56 HydrophobicContact CB-CG 3.89Å; V24-P56 HydrophobicContact CG2-CG 3.74Å; A28-P56 HydrophobicContact CB-CB 3.91Å; A28-P56 WeakPolarHBondContact CB-O 3.36Å; I46-P56 VanDerWaalsContact O-CD 3.31Å; I46-P56 WeakPolarHBondContact O-CD 3.39Å; I46-P56 WeakPolarHBondContact O-CG 3.31Å; A48-P56 WeakPolarHBondContact O-CD 3.45Å; P56-H58 VanDerWaalsContact C-N 3.34Å; P56-H58 PolarHBondContact O-N 3.21Å; P56-Y59 PolarHBondContact O-N 2.93Å; P56-A60 PolarHBondContact O-N 3.1Å; P56-L72 HydrophobicContact CB-CD1 3.97Å; P56-L72 HydrophobicContact CB-CD2 3.89Å
57L97.2Very high93.4Very high1 Ų131 Ų311%0.00517%0.168CC..Hα-helixtrans-66.3-32.7178.1-172.162.5000113T55 A60 A61 L69 L72 L73 A77 P89 L105T55-L57 PolarHBondContact O-N 3.29Å; T55-L57 VanDerWaalsContact O-N 3.1Å; T55-L57 PolarHBondContact OG1-N 3.03Å; L57-A60 PolarHBondContact O-N 3.1Å; L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 3.29Å; L57-L69 HydrophobicContact CD1-CD1 3.71Å; L57-L69 HydrophobicContact CD1-CG 4.13Å; L57-L72 HydrophobicContact CB-CD1 4.37Å; L57-L72 HydrophobicContact CD1-CB 4.06Å; L57-L72 HydrophobicContact CD1-CD1 4.33Å; L57-L73 HydrophobicContact CD1-CD2 4.02Å; L57-L73 HydrophobicContact CD1-CG 4.01Å; L57-L73 HydrophobicContact CD2-CD2 3.84Å; L57-A77 HydrophobicContact CB-CB 4.46Å; L57-A77 HydrophobicContact CD2-CB 4.13Å; L57-P89 HydrophobicContact CB-CG 4.28Å; L57-P89 HydrophobicContact CD2-CB 4.36Å; L57-P89 HydrophobicContact CD2-CG 3.92Å; L57-P89 HydrophobicContact CG-CB 4.03Å; L57-P89 HydrophobicContact CG-CG 3.84Å; L57-L105 HydrophobicContact CD1-CD2 4.37Å; L57-L105 HydrophobicContact CD2-CD2 4.29Å; L57-L105 HydrophobicContact CG-CD2 4.47Å
58H97.3Very high93.2Very high1 Ų128.3 Ų28.31%0.00515%0.153CC..Hα-helixtrans-62.1-45.8173.9-72.378.1000111.5N54 T55 P56 A61 E62 A81 K87N54-H58 HydrophobicContact CB-CB 4.02Å; T55-H58 PolarHBondContact N-ND1 3.28Å; T55-H58 VanDerWaalsContact N-ND1 3.13Å; T55-H58 WeakPolarHBondContact O-CB 3.36Å; T55-H58 PolarHBondContact O-N 3.28Å; T55-H58 PolarHBondContact OG1-ND1 3.02Å; P56-H58 VanDerWaalsContact C-N 3.34Å; P56-H58 PolarHBondContact O-N 3.21Å; H58-A61 PolarHBondContact O-N 2.9Å; H58-E62 WeakPolarHBondContact O-CB 3.1Å; H58-E62 PolarHBondContact O-N 3.27Å; H58-A81 PolarHBondContact CE1-O 3.23Å; H58-A81 PolarHBondContact NE2-O 3.41Å; H58-K87 PolarHBondContact NE2-O 2.76Å
59Y95.3Very high93.2Very high22 Ų2228.2 Ų28.29%0.08615%0.153CC..Hα-helixtrans-64.7-44.8178.4-70.1-70.3000111.7R21 H25 L29 D50 N54 T55 P56 A61 E62 D63R21-Y59 PolarHBondContact NE-OH 3.2Å; R21-Y59 PolarHBondContact NH2-OH 3.49Å; H25-Y59 HydrophobicContact CB-CE2 4.32Å; H25-Y59 AromaticContact CD2-CE2 3.92Å; L29-Y59 HydrophobicContact CB-CD1 4.44Å; L29-Y59 HydrophobicContact CD1-CD1 3.7Å; L29-Y59 HydrophobicContact CD1-CE1 3.96Å; D50-Y59 PolarHBondContact OD2-OH 3.36Å; N54-Y59 HydrophobicContact CB-CD2 4.36Å; N54-Y59 HydrophobicContact CB-CE2 3.68Å; T55-Y59 WeakPolarHBondContact O-CD2 3.19Å; P56-Y59 PolarHBondContact O-N 2.93Å; Y59-A61 VanDerWaalsContact C-N 3.32Å; Y59-A61 PolarHBondContact O-N 3.3Å; Y59-E62 PolarHBondContact O-N 3.38Å; Y59-D63 PolarHBondContact O-N 3.19Å
60A95.4Very high93Very high0 Ų022.4 Ų22.40%013%0.134CC..Hα-helixtrans-60.8-40.6176.200000112.3P56 L57 G64 L68 L69 L72P56-A60 PolarHBondContact O-N 3.1Å; L57-A60 PolarHBondContact O-N 3.1Å; A60-G64 PolarHBondContact O-N 3.39Å; A60-L68 HydrophobicContact CB-CD2 3.53Å; A60-L68 HydrophobicContact CB-CG 4.04Å; A60-L69 HydrophobicContact CB-CB 4.3Å; A60-L69 HydrophobicContact CB-CD1 4Å; A60-L72 HydrophobicContact CB-CD1 3.8Å
61A96.7Very high93Very high0 Ų022.7 Ų22.70%014%0.136CC..Hα-helixtrans-69.2-37.6179.400000113.2L57 H58 Y59 L69 P89 A93 L105L57-A61 WeakPolarHBondContact O-CB 3.47Å; L57-A61 PolarHBondContact O-N 3.29Å; H58-A61 PolarHBondContact O-N 2.9Å; Y59-A61 VanDerWaalsContact C-N 3.32Å; Y59-A61 PolarHBondContact O-N 3.3Å; A61-L69 HydrophobicContact CB-CD1 3.91Å; A61-P89 HydrophobicContact CB-CB 3.74Å; A61-P89 WeakPolarHBondContact CB-O 3.47Å; A61-A93 HydrophobicContact CB-CB 4.17Å; A61-A93 WeakPolarHBondContact O-CA 3.36Å; A61-A93 WeakPolarHBondContact O-CB 3.45Å; A61-L105 HydrophobicContact CB-CD1 3.98Å
62E95Very high93Very high68 Ų6819.8 Ų19.832%0.31812%0.118SC..Hα-helixtrans-68.4-36.6178.8-169.6166.6168.100112.6H58 Y59 K92 R95 S96 K98H58-E62 WeakPolarHBondContact O-CB 3.1Å; H58-E62 PolarHBondContact O-N 3.27Å; Y59-E62 PolarHBondContact O-N 3.38Å; E62-K92 HydrophobicContact CB-CB 4.23Å; E62-R95 IonicContact OE1-CZ 2.73Å; E62-R95 IonicContact OE1-NH2 3.92Å; E62-R95 PolarHBondContact OE1-NH2 3.36Å; E62-R95 IonicContact OE2-NH2 3.75Å; E62-S96 WeakPolarHBondContact CG-OG 3.44Å; E62-S96 VanDerWaalsContact O-CB 3.29Å; E62-S96 WeakPolarHBondContact O-CB 3.49Å; E62-S96 PolarHBondContact O-OG 3.01Å; E62-K98 VanDerWaalsContact O-CE 3.28Å; E62-K98 WeakPolarHBondContact O-CE 3.36Å; E62-K98 WeakPolarHBondContact O-CG 3.31Å
63D91Very high93Very high56 Ų5615.6 Ų15.630%0.29910%0.1SC..Hα-helixtrans-80.4-41.4-178.6-177.186000112.5Q31 Y59 D65 K98Q31-D63 VanDerWaalsContact CD-CG 3.44Å; Q31-D63 WeakPolarHBondContact CG-OD2 3.45Å; Q31-D63 PolarHBondContact NE2-OD1 3.04Å; Q31-D63 PolarHBondContact NE2-OD2 3.23Å; Q31-D63 PolarHBondContact OE1-OD2 3.21Å; Y59-D63 PolarHBondContact O-N 3.19Å; D63-D65 PolarHBondContact OD2-N 2.89Å; D63-K98 VanDerWaalsContact O-CD 3.28Å; D63-K98 WeakPolarHBondContact O-CD 3.39Å; D63-K98 WeakPolarHBondContact O-CE 3.33Å; D63-K98 PolarHBondContact O-NZ 2.85Å
64G83.1Confident93Very high20 Ų2020.4 Ų20.421%0.20612%0.124CC..  trans94.45.6175.800000115.7A60 G66A60-G64 PolarHBondContact O-N 3.39Å; G64-G66 PolarHBondContact O-N 2.87Å
65D76.6Confident92.9Very high41 Ų4123.4 Ų23.422%0.21914%0.14CC..  trans-63.4119.4172.2176.813.9000111.6Q31 D63 G67 L68 L69Q31-D65 HydrophobicContact CG-CB 4.17Å; D63-D65 PolarHBondContact OD2-N 2.89Å; D65-G67 PolarHBondContact OD1-N 3.19Å; D65-L68 HydrophobicContact CB-CB 4.41Å; D65-L69 WeakPolarHBondContact O-CB 3.23Å; D65-L69 PolarHBondContact O-N 2.93Å
66G80.6Confident92.8Very high16 Ų1626 Ų2617%0.16517%0.167CC..Hα-helixtrans-77.4-23-17700000116.5G64 S70 W100G64-G66 PolarHBondContact O-N 2.87Å; G66-S70 VanDerWaalsContact O-CB 3.22Å; G66-S70 WeakPolarHBondContact O-CB 3.5Å; G66-S70 PolarHBondContact O-N 2.99Å; G66-S70 VanDerWaalsContact O-N 3.1Å; G66-S70 PolarHBondContact O-OG 3.42Å; G66-W100 VanDerWaalsContact CA-CE3 3.47Å; G66-W100 WeakPolarHBondContact O-CH2 3.33Å
67G89.2Confident92.8Very high35 Ų3526.3 Ų26.336%0.36117%0.169SC..Hα-helixtrans-66.9-53.4174.700000110.4D65 S70 L71D65-G67 PolarHBondContact OD1-N 3.19Å; G67-S70 PolarHBondContact O-N 3.45Å; G67-L71 WeakPolarHBondContact O-CB 3.43Å; G67-L71 PolarHBondContact O-N 3.05Å
68L92.3Very high92.8Very high0 Ų029.2 Ų29.20%019%0.189CC..Hα-helixtrans-62.9-47.3-179.6-169.980.7000112.6A28 V33 L36 A60 D65 S70 L71 L72A28-L68 VanDerWaalsContact CA-CD2 3.46Å; A28-L68 HydrophobicContact CB-CD2 3.89Å; A28-L68 VanDerWaalsContact O-CD2 3.29Å; A28-L68 WeakPolarHBondContact O-CD2 3.49Å; V33-L68 HydrophobicContact CG2-CB 4.21Å; V33-L68 HydrophobicContact CG2-CD1 4.49Å; L36-L68 HydrophobicContact CB-CD1 4.08Å; L36-L68 HydrophobicContact CD2-CD1 3.39Å; L36-L68 HydrophobicContact CD2-CG 4.15Å; L36-L68 HydrophobicContact CG-CD1 4.37Å; A60-L68 HydrophobicContact CB-CD2 3.53Å; A60-L68 HydrophobicContact CB-CG 4.04Å; D65-L68 HydrophobicContact CB-CB 4.41Å; L68-S70 PolarHBondContact O-N 3.38Å; L68-L71 PolarHBondContact O-N 3.23Å; L68-L72 HydrophobicContact CG-CD1 4.43Å; L68-L72 PolarHBondContact O-N 3.21Å
69L95Very high92.8Very high0 Ų030.3 Ų30.30%020%0.195CC..Hα-helixtrans-62.7-43.3179.6-168.3100.8000111.3L57 A60 A61 D65 L71 L72 L73 W100 A101 R104 L105L57-L69 HydrophobicContact CD1-CD1 3.71Å; L57-L69 HydrophobicContact CD1-CG 4.13Å; A60-L69 HydrophobicContact CB-CB 4.3Å; A60-L69 HydrophobicContact CB-CD1 4Å; A61-L69 HydrophobicContact CB-CD1 3.91Å; D65-L69 WeakPolarHBondContact O-CB 3.23Å; D65-L69 PolarHBondContact O-N 2.93Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 3.48Å; L69-L72 PolarHBondContact O-N 3.02Å; L69-L73 HydrophobicContact CD2-CD1 3.85Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 3.3Å; L69-W100 HydrophobicContact CB-CZ3 4.1Å; L69-W100 HydrophobicContact CD2-CE3 4.28Å; L69-W100 HydrophobicContact CD2-CZ3 3.59Å; L69-W100 HydrophobicContact CG-CZ3 4.49Å; L69-A101 HydrophobicContact CD1-CB 4.47Å; L69-A101 HydrophobicContact CD2-CB 4.23Å; L69-R104 HydrophobicContact CD2-CB 3.68Å; L69-L105 HydrophobicContact CD1-CD2 4.46Å; L69-L105 HydrophobicContact CD2-CG 4.38Å
70S94.3Very high93Very high21 Ų2131.5 Ų31.515%0.14720%0.204CC..Hα-helixtrans-62.9-41.9176.7-66.40000112.1G66 G67 L68 L73 N74 W100 R104G66-S70 VanDerWaalsContact O-CB 3.22Å; G66-S70 WeakPolarHBondContact O-CB 3.5Å; G66-S70 PolarHBondContact O-N 2.99Å; G66-S70 VanDerWaalsContact O-N 3.1Å; G66-S70 PolarHBondContact O-OG 3.42Å; G67-S70 PolarHBondContact O-N 3.45Å; L68-S70 PolarHBondContact O-N 3.38Å; S70-L73 PolarHBondContact O-N 2.97Å; S70-N74 WeakPolarHBondContact O-CB 3.47Å; S70-N74 PolarHBondContact O-N 2.96Å; S70-N74 PolarHBondContact O-ND2 3.1Å; S70-W100 WeakPolarHBondContact OG-CH2 3.28Å; S70-R104 PolarHBondContact OG-NH2 2.91Å
71L94.7Very high93.1Very high16 Ų1631.7 Ų31.78%0.08421%0.205CC..Hα-helixtrans-61.6-46.8179.7-175.3159.5000110.5V33 L36 Q37 L40 G67 L68 L69 N75V33-L71 HydrophobicContact CG1-CD1 3.64Å; L36-L71 HydrophobicContact CD2-CD2 3.72Å; L36-L71 HydrophobicContact CG-CD2 3.95Å; Q37-L71 HydrophobicContact CB-CD1 4Å; Q37-L71 VanDerWaalsContact OE1-CD1 3.24Å; L40-L71 HydrophobicContact CD1-CD2 3.42Å; L40-L71 VanDerWaalsContact CD1-CD2 3.42Å; G67-L71 WeakPolarHBondContact O-CB 3.43Å; G67-L71 PolarHBondContact O-N 3.05Å; L68-L71 PolarHBondContact O-N 3.23Å; L69-L71 VanDerWaalsContact C-N 3.34Å; L69-L71 PolarHBondContact O-N 3.48Å; L71-N75 WeakPolarHBondContact O-CB 3.37Å; L71-N75 PolarHBondContact O-N 3.43Å; L71-N75 VanDerWaalsContact O-N 3.09Å; L71-N75 PolarHBondContact O-ND2 3.31Å
72L96.3Very high93.2Very high0 Ų035.2 Ų35.20%022%0.221CC..Hα-helixtrans-61.1-48.9176.8-73.3167.7000112.2L36 I46 P56 L57 A60 L68 L69 N74 N75 G76 A77L36-L72 HydrophobicContact CD1-CD2 4.43Å; L36-L72 HydrophobicContact CD2-CD1 4.16Å; L36-L72 HydrophobicContact CD2-CD2 3.62Å; L36-L72 HydrophobicContact CD2-CG 3.66Å; I46-L72 HydrophobicContact CD1-CD2 4.23Å; I46-L72 WeakPolarHBondContact CD1-O 3.35Å; I46-L72 HydrophobicContact CG1-CD2 3.77Å; P56-L72 HydrophobicContact CB-CD1 3.97Å; P56-L72 HydrophobicContact CB-CD2 3.89Å; L57-L72 HydrophobicContact CB-CD1 4.37Å; L57-L72 HydrophobicContact CD1-CB 4.06Å; L57-L72 HydrophobicContact CD1-CD1 4.33Å; A60-L72 HydrophobicContact CB-CD1 3.8Å; L68-L72 HydrophobicContact CG-CD1 4.43Å; L68-L72 PolarHBondContact O-N 3.21Å; L69-L72 PolarHBondContact O-N 3.02Å; L72-N74 PolarHBondContact O-N 3.46Å; L72-N75 PolarHBondContact O-N 2.88Å; L72-G76 PolarHBondContact O-N 3.04Å; L72-A77 HydrophobicContact CB-CB 4.07Å; L72-A77 WeakPolarHBondContact O-CB 3.21Å; L72-A77 PolarHBondContact O-N 2.99Å; L72-A77 VanDerWaalsContact O-N 3.07Å
73L96.4Very high93.3Very high7 Ų732.4 Ų32.44%0.03721%0.209CC..Hα-helixtrans-63.8-42.3-179.2-69.4170.1000112.2L57 L69 S70 N75 G76 V79 L105 F108L57-L73 HydrophobicContact CD1-CD2 4.02Å; L57-L73 HydrophobicContact CD1-CG 4.01Å; L57-L73 HydrophobicContact CD2-CD2 3.84Å; L69-L73 HydrophobicContact CD2-CD1 3.85Å; L69-L73 HydrophobicContact CG-CD1 3.91Å; L69-L73 WeakPolarHBondContact O-CB 3.29Å; L69-L73 VanDerWaalsContact O-CG 3.27Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 3.3Å; S70-L73 PolarHBondContact O-N 2.97Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-N 2.88Å; L73-G76 PolarHBondContact O-N 3.13Å; L73-G76 VanDerWaalsContact O-N 3.14Å; L73-V79 HydrophobicContact CD2-CG1 4.47Å; L73-V79 HydrophobicContact CD2-CG2 3.83Å; L73-L105 HydrophobicContact CD1-CD2 4.32Å; L73-L105 HydrophobicContact CD2-CD2 4.21Å; L73-F108 HydrophobicContact CB-CD1 3.82Å; L73-F108 HydrophobicContact CB-CD2 4.09Å; L73-F108 HydrophobicContact CB-CE1 3.77Å; L73-F108 HydrophobicContact CB-CE2 4.04Å; L73-F108 HydrophobicContact CB-CG 3.98Å; L73-F108 HydrophobicContact CB-CZ 3.89Å; L73-F108 HydrophobicContact CD1-CB 4.43Å; L73-F108 HydrophobicContact CD1-CD2 3.78Å; L73-F108 HydrophobicContact CD1-CE2 4.22Å; L73-F108 HydrophobicContact CD1-CG 4.06Å; L73-F108 HydrophobicContact CD2-CB 4.15Å; L73-F108 HydrophobicContact CD2-CD1 4.41Å; L73-F108 HydrophobicContact CD2-CG 4.18Å; L73-F108 HydrophobicContact CG-CD2 4.41Å; L73-F108 HydrophobicContact CG-CG 4.31Å
74N95.5Very high93.6Very high108 Ų10833.4 Ų33.458%0.57821%0.213SC*.Hα-helixtrans-66.5-26.7177.7-71.2-14.6000112.9S70 L72 G76 F108S70-N74 WeakPolarHBondContact O-CB 3.47Å; S70-N74 PolarHBondContact O-N 2.96Å; S70-N74 PolarHBondContact O-ND2 3.1Å; L72-N74 PolarHBondContact O-N 3.46Å; N74-G76 VanDerWaalsContact C-N 3.28Å; N74-F108 VanDerWaalsContact OD1-CZ 3.26Å; N74-F108 WeakPolarHBondContact OD1-CZ 3.41Å
75N95.4Very high94.3Very high79 Ų7934.3 Ų34.342%0.42222%0.215SC..THydrogen-bonded Turntrans-90.614176.4-75.4-91000112.7L40 I46 L71 L72 L73L40-N75 HydrophobicContact CD1-CB 4.14Å; I46-N75 HydrophobicContact CD1-CB 3.47Å; I46-N75 VanDerWaalsContact CD1-CB 3.47Å; I46-N75 VanDerWaalsContact CD1-O 3.31Å; I46-N75 WeakPolarHBondContact CD1-O 3.41Å; L71-N75 WeakPolarHBondContact O-CB 3.37Å; L71-N75 PolarHBondContact O-N 3.43Å; L71-N75 VanDerWaalsContact O-N 3.09Å; L71-N75 PolarHBondContact O-ND2 3.31Å; L72-N75 PolarHBondContact O-N 2.88Å; L73-N75 VanDerWaalsContact C-N 3.26Å; L73-N75 PolarHBondContact O-N 2.88Å
76G94.9Very high95.3Very high56 Ų5635.3 Ų35.358%0.57722%0.22SC*.THydrogen-bonded Turntrans83.524.3171.800000115.3L72 L73 N74 C78L72-G76 PolarHBondContact O-N 3.04Å; L73-G76 PolarHBondContact O-N 3.13Å; L73-G76 VanDerWaalsContact O-N 3.14Å; N74-G76 VanDerWaalsContact C-N 3.28Å; G76-C78 PolarHBondContact O-N 3.1Å
77A96.9Very high96.2Very high5 Ų536.5 Ų36.54%0.04122%0.221CC..  trans-59.2137.6172.500000111I46 L57 L72 V79I46-A77 HydrophobicContact CD1-CB 3.85Å; I46-A77 HydrophobicContact CG1-CB 3.92Å; L57-A77 HydrophobicContact CB-CB 4.46Å; L57-A77 HydrophobicContact CD2-CB 4.13Å; L72-A77 HydrophobicContact CB-CB 4.07Å; L72-A77 WeakPolarHBondContact O-CB 3.21Å; L72-A77 PolarHBondContact O-N 2.99Å; L72-A77 VanDerWaalsContact O-N 3.07Å; A77-V79 PolarHBondContact O-N 3.25Å
78C97.5Very high96.6Very high62 Ų6234.9 Ų34.942%0.41920%0.204SC..  trans-65.9109.1178.4-1780000111D47 G76 D80 A81D47-C78 PolarHBondContact OD1-N 3.17Å; D47-C78 VanDerWaalsContact OD1-N 3.09Å; D47-C78 VanDerWaalsContact OD2-CB 3.23Å; D47-C78 WeakPolarHBondContact OD2-CB 3.22Å; D47-C78 PolarHBondContact OD2-N 3.09Å; G76-C78 PolarHBondContact O-N 3.1Å; C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 2.97Å; C78-A81 HydrophobicContact CB-CB 4.19Å; C78-A81 WeakPolarHBondContact O-CB 3.36Å; C78-A81 PolarHBondContact O-N 3.21Å; C78-A81 VanDerWaalsContact O-N 3.16Å
79V97.7Very high96.9Very high24 Ų2434.9 Ų34.915%0.14520%0.204CC..THydrogen-bonded Turntrans-60.2-39-173.3-172.70000112.3L73 A77 L105 F108 A110L73-V79 HydrophobicContact CD2-CG1 4.47Å; L73-V79 HydrophobicContact CD2-CG2 3.83Å; A77-V79 PolarHBondContact O-N 3.25Å; V79-L105 HydrophobicContact CG1-CD2 4.17Å; V79-F108 HydrophobicContact CG1-CB 4.48Å; V79-F108 HydrophobicContact CG2-CB 4.02Å; V79-A110 HydrophobicContact CG1-CB 3.54Å
80D98Very high97.1Very high48 Ų4835 Ų3526%0.25720%0.204SC..THydrogen-bonded Turntrans-102.626.1-179.1-67.9-33.9000112.5C78 Q82 A110 N111C78-D80 VanDerWaalsContact C-N 3.29Å; C78-D80 PolarHBondContact O-N 2.97Å; D80-Q82 PolarHBondContact O-N 3.5Å; D80-A110 WeakPolarHBondContact OD1-CA 3.42Å; D80-N111 PolarHBondContact OD1-N 3.24Å; D80-N111 VanDerWaalsContact OD2-CB 3.25Å; D80-N111 WeakPolarHBondContact OD2-CB 3.45Å; D80-N111 PolarHBondContact OD2-N 3.21Å; D80-N111 VanDerWaalsContact OD2-N 3.15Å
81A98.1Very high97.3Very high4 Ų434 Ų343%0.03320%0.198CC..  trans-53.4138.6171.700000110.2T55 H58 C78 T88 P89T55-A81 HydrophobicContact CG2-CB 3.85Å; H58-A81 PolarHBondContact CE1-O 3.23Å; H58-A81 PolarHBondContact NE2-O 3.41Å; C78-A81 HydrophobicContact CB-CB 4.19Å; C78-A81 WeakPolarHBondContact O-CB 3.36Å; C78-A81 PolarHBondContact O-N 3.21Å; C78-A81 VanDerWaalsContact O-N 3.16Å; A81-T88 WeakPolarHBondContact O-CA 3.5Å; A81-P89 WeakPolarHBondContact O-CD 3.34Å
82Q98.2Very high97.4Very high73 Ų7334.4 Ų34.434%0.34120%0.199SC..  trans-112.8132.2-177.7-77.1179.636.600111D80 K87 T88D80-Q82 PolarHBondContact O-N 3.5Å; Q82-K87 WeakPolarHBondContact CA-O 2.95Å; Q82-T88 HydrophobicContact CG-CG2 4Å
83D97.8Very high97.5Very high9 Ų934.4 Ų34.45%0.04820%0.199CC..  trans-71.3178.8169.581.62.6000111.5F52 T85 N86 K87 K92F52-D83 WeakPolarHBondContact O-CB 3.18Å; D83-T85 PolarHBondContact O-N 3.49Å; D83-T85 VanDerWaalsContact O-N 3.1Å; D83-T85 VanDerWaalsContact OD1-C 3.22Å; D83-T85 WeakPolarHBondContact OD1-CA 3.42Å; D83-T85 WeakPolarHBondContact OD1-CB 3.35Å; D83-T85 PolarHBondContact OD1-N 2.99Å; D83-T85 PolarHBondContact OD1-OG1 3.26Å; D83-T85 PolarHBondContact OD2-OG1 2.91Å; D83-N86 PolarHBondContact O-N 3.04Å; D83-N86 PolarHBondContact OD1-N 3.36Å; D83-K87 PolarHBondContact N-O 2.95Å; D83-K87 WeakPolarHBondContact OD1-CB 3.47Å; D83-K87 PolarHBondContact OD1-N 2.96Å; D83-K92 WeakPolarHBondContact OD2-CE 3.24Å; D83-K92 IonicContact OD2-NZ 3.86Å; D83-K92 PolarHBondContact OD2-NZ 3.27Å
84I97.8Very high97.5Very high77 Ų7734.1 Ų34.140%0.39520%0.197SC..THydrogen-bonded Turntrans-58.2-29.1179.760.5171000111.7F52 N86 R117F52-I84 VanDerWaalsContact C-CG2 3.48Å; F52-I84 HydrophobicContact CD1-CD1 4.2Å; F52-I84 WeakPolarHBondContact O-CG1 3.44Å; F52-I84 WeakPolarHBondContact O-CG2 3.36Å; F52-I84 PolarHBondContact O-N 2.92Å; I84-N86 VanDerWaalsContact C-N 3.27Å; I84-N86 PolarHBondContact O-N 3.26Å; I84-R117 PolarHBondContact O-NE 3.43Å; I84-R117 PolarHBondContact O-NH2 3.18Å
85T97.4Very high97.6Very high40 Ų4033.7 Ų33.725%0.24519%0.187CC..THydrogen-bonded Turntrans-8915.7177.760.50000113.5D83 K87 D116 R117D83-T85 PolarHBondContact O-N 3.49Å; D83-T85 VanDerWaalsContact O-N 3.1Å; D83-T85 VanDerWaalsContact OD1-C 3.22Å; D83-T85 WeakPolarHBondContact OD1-CA 3.42Å; D83-T85 WeakPolarHBondContact OD1-CB 3.35Å; D83-T85 PolarHBondContact OD1-N 2.99Å; D83-T85 PolarHBondContact OD1-OG1 3.26Å; D83-T85 PolarHBondContact OD2-OG1 2.91Å; T85-K87 PolarHBondContact O-N 3.38Å; T85-K87 WeakPolarHBondContact OG1-CD 3.45Å; T85-K87 VanDerWaalsContact OG1-CE 3.29Å; T85-K87 WeakPolarHBondContact OG1-CE 3.36Å; T85-K87 WeakPolarHBondContact OG1-CG 3.35Å; T85-D116 WeakPolarHBondContact O-CB 3.44Å; T85-R117 WeakPolarHBondContact O-CB 3.39Å; T85-R117 WeakPolarHBondContact O-CG 3.43Å; T85-R117 PolarHBondContact O-N 3.42Å
86N98.1Very high97.7Very high61 Ų6131.5 Ų31.533%0.32618%0.178SC..  trans60.818.7-176.3-59.4-6.5000114.1D83 I84 R117D83-N86 PolarHBondContact O-N 3.04Å; D83-N86 PolarHBondContact OD1-N 3.36Å; I84-N86 VanDerWaalsContact C-N 3.27Å; I84-N86 PolarHBondContact O-N 3.26Å; N86-R117 HydrophobicContact CB-CG 4.38Å
87K98.5Very high97.8Very high42 Ų4230 Ų3018%0.18316%0.162CC..  trans-81.5136.6177.9-63.8175.9-169.6-1680109.4H58 Q82 D83 T85 M91 D116 Y125H58-K87 PolarHBondContact NE2-O 2.76Å; Q82-K87 WeakPolarHBondContact CA-O 2.95Å; D83-K87 PolarHBondContact N-O 2.95Å; D83-K87 WeakPolarHBondContact OD1-CB 3.47Å; D83-K87 PolarHBondContact OD1-N 2.96Å; T85-K87 PolarHBondContact O-N 3.38Å; T85-K87 WeakPolarHBondContact OG1-CD 3.45Å; T85-K87 VanDerWaalsContact OG1-CE 3.29Å; T85-K87 WeakPolarHBondContact OG1-CE 3.36Å; T85-K87 WeakPolarHBondContact OG1-CG 3.35Å; K87-M91 HydrophobicContact CB-SD 4.16Å; K87-M91 HydrophobicContact CG-SD 4.28Å; K87-D116 WeakPolarHBondContact CE-OD2 3.41Å; K87-D116 HydrophobicContact CG-CB 3.72Å; K87-Y125 WeakPolarHBondContact CE-OH 3.25Å; K87-Y125 PolarHBondContact NZ-OH 3Å
88T98.5Very high97.8Very high1 Ų133.2 Ų33.21%0.00618%0.175CC..  trans-92.3163.5174.764.50000111.6A81 Q82 L90 M91 K92 V114A81-T88 WeakPolarHBondContact O-CA 3.5Å; Q82-T88 HydrophobicContact CG-CG2 4Å; T88-L90 PolarHBondContact O-N 3.47Å; T88-M91 WeakPolarHBondContact O-CB 3.31Å; T88-M91 PolarHBondContact O-N 2.96Å; T88-M91 PolarHBondContact OG1-N 3.16Å; T88-K92 PolarHBondContact O-N 3.06Å; T88-K92 VanDerWaalsContact O-N 3.17Å; T88-V114 HydrophobicContact CG2-CB 4.03Å; T88-V114 HydrophobicContact CG2-CG1 3.64Å; T88-V114 HydrophobicContact CG2-CG2 4.31Å
89P97.9Very high97.7Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-52-37.7170.2-28.534.5000112.7L57 A61 A81 M91 K92 A93 L105L57-P89 HydrophobicContact CB-CG 4.28Å; L57-P89 HydrophobicContact CD2-CB 4.36Å; L57-P89 HydrophobicContact CD2-CG 3.92Å; L57-P89 HydrophobicContact CG-CB 4.03Å; L57-P89 HydrophobicContact CG-CG 3.84Å; A61-P89 HydrophobicContact CB-CB 3.74Å; A61-P89 WeakPolarHBondContact CB-O 3.47Å; A81-P89 WeakPolarHBondContact O-CD 3.34Å; P89-M91 VanDerWaalsContact C-N 3.35Å; P89-M91 PolarHBondContact O-N 3.25Å; P89-K92 PolarHBondContact O-N 3.42Å; P89-A93 PolarHBondContact O-N 3.41Å; P89-L105 HydrophobicContact CB-CD1 4.08Å; P89-L105 HydrophobicContact CB-CD2 4.08Å
90L98.4Very high97.6Very high1 Ų137.1 Ų37.11%0.00519%0.185CC..Hα-helixtrans-61.3-41.3177.7-177.165.7000112.1T88 A93 A94 V102 L105 L106 A110 V112 A122 L138T88-L90 PolarHBondContact O-N 3.47Å; L90-A93 PolarHBondContact O-N 3.23Å; L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.36Å; L90-A94 PolarHBondContact O-N 3.04Å; L90-V102 HydrophobicContact CD1-CB 4.31Å; L90-V102 HydrophobicContact CD1-CG1 3.75Å; L90-V102 HydrophobicContact CD1-CG2 4.41Å; L90-L105 HydrophobicContact CB-CD1 4.32Å; L90-L105 HydrophobicContact CD1-CB 4.13Å; L90-L105 HydrophobicContact CD1-CD1 4.39Å; L90-L106 HydrophobicContact CD1-CD2 4.28Å; L90-L106 HydrophobicContact CD1-CG 4.35Å; L90-L106 HydrophobicContact CD2-CD2 4.13Å; L90-A110 HydrophobicContact CB-CB 4.4Å; L90-A110 HydrophobicContact CD2-CB 4.09Å; L90-V112 HydrophobicContact CD2-CB 4.47Å; L90-V112 HydrophobicContact CD2-CG1 4.02Å; L90-A122 HydrophobicContact CD2-CB 3.94Å; L90-A122 HydrophobicContact CG-CB 3.91Å; L90-L138 HydrophobicContact CD1-CD2 4.38Å; L90-L138 HydrophobicContact CD2-CD2 4.12Å; L90-L138 HydrophobicContact CG-CD2 4.48Å
91M98.5Very high97.6Very high2 Ų234.8 Ų34.81%0.0117%0.173CC..Hα-helixtrans-66.3-40.2176.2-65.3172.8-177.300111.9K87 T88 P89 A94 R95 V114 D116 E120 A122 Y125K87-M91 HydrophobicContact CB-SD 4.16Å; K87-M91 HydrophobicContact CG-SD 4.28Å; T88-M91 WeakPolarHBondContact O-CB 3.31Å; T88-M91 PolarHBondContact O-N 2.96Å; T88-M91 PolarHBondContact OG1-N 3.16Å; P89-M91 VanDerWaalsContact C-N 3.35Å; P89-M91 PolarHBondContact O-N 3.25Å; M91-A94 PolarHBondContact O-N 3.34Å; M91-R95 WeakPolarHBondContact O-CB 3.09Å; M91-R95 PolarHBondContact O-N 3.08Å; M91-V114 VanDerWaalsContact CE-C 3.47Å; M91-V114 HydrophobicContact CE-CB 4.11Å; M91-V114 HydrophobicContact CE-CG1 4.06Å; M91-V114 WeakPolarHBondContact CE-O 3.41Å; M91-D116 HydrophobicContact CE-CB 4.33Å; M91-D116 HydrophobicContact SD-CB 3.9Å; M91-E120 WeakPolarHBondContact CE-O 3.49Å; M91-A122 HydrophobicContact CG-CB 4.23Å; M91-Y125 HydrophobicContact CB-CD2 3.97Å; M91-Y125 HydrophobicContact CB-CE2 4.09Å; M91-Y125 HydrophobicContact CG-CD2 4.14Å; M91-Y125 HydrophobicContact CG-CE2 4.24Å; M91-Y125 HydrophobicContact SD-CE2 4.2Å
92K97.4Very high97.6Very high24 Ų2434.6 Ų34.610%0.10417%0.171CC..Hα-helixtrans-63.1-45.6175.9-59.3-73.5-178.2175.70111E62 D83 T88 P89 R95 S96E62-K92 HydrophobicContact CB-CB 4.23Å; D83-K92 WeakPolarHBondContact OD2-CE 3.24Å; D83-K92 IonicContact OD2-NZ 3.86Å; D83-K92 PolarHBondContact OD2-NZ 3.27Å; T88-K92 PolarHBondContact O-N 3.06Å; T88-K92 VanDerWaalsContact O-N 3.17Å; P89-K92 PolarHBondContact O-N 3.42Å; K92-R95 PolarHBondContact O-N 3.45Å; K92-S96 WeakPolarHBondContact O-CB 3.5Å; K92-S96 PolarHBondContact O-N 2.9Å; K92-S96 PolarHBondContact O-OG 3.21Å
93A97.7Very high97.5Very high0 Ų039.6 Ų39.60%019%0.187CC..Hα-helixtrans-62.3-43.2176.200000112.5A61 P89 L90 S96 G97 K98 A101 V102 L105A61-A93 HydrophobicContact CB-CB 4.17Å; A61-A93 WeakPolarHBondContact O-CA 3.36Å; A61-A93 WeakPolarHBondContact O-CB 3.45Å; P89-A93 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.23Å; A93-S96 PolarHBondContact O-N 2.92Å; A93-G97 PolarHBondContact O-N 3.09Å; A93-G97 VanDerWaalsContact O-N 3.07Å; A93-K98 HydrophobicContact CB-CB 4.46Å; A93-K98 PolarHBondContact O-N 2.86Å; A93-A101 HydrophobicContact CB-CB 3.98Å; A93-V102 HydrophobicContact CB-CG2 3.71Å; A93-L105 HydrophobicContact CB-CD1 4.14Å
94A98.2Very high97.5Very high0 Ų041.9 Ų41.90%020%0.195CC..Hα-helixtrans-63.3-45.2177.500000111.8L90 M91 S96 G97 A126 I134L90-A94 VanDerWaalsContact O-CB 3.31Å; L90-A94 WeakPolarHBondContact O-CB 3.36Å; L90-A94 PolarHBondContact O-N 3.04Å; M91-A94 PolarHBondContact O-N 3.34Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3Å; A94-G97 PolarHBondContact O-N 3.01Å; A94-A126 HydrophobicContact CB-CB 4.39Å; A94-I134 HydrophobicContact CB-CG2 4.16Å
95R97.5Very high97.5Very high100 Ų10038.2 Ų38.238%0.37718%0.176SC..Hα-helixtrans-60.1-41.1175.7-174.2-17668.286-2.5112E62 M91 K92 G97 Y125 Q129E62-R95 IonicContact OE1-CZ 2.73Å; E62-R95 IonicContact OE1-NH2 3.92Å; E62-R95 PolarHBondContact OE1-NH2 3.36Å; E62-R95 IonicContact OE2-NH2 3.75Å; M91-R95 WeakPolarHBondContact O-CB 3.09Å; M91-R95 PolarHBondContact O-N 3.08Å; K92-R95 PolarHBondContact O-N 3.45Å; R95-G97 VanDerWaalsContact C-N 3.29Å; R95-G97 PolarHBondContact O-N 3.47Å; R95-Y125 HydrophobicContact CB-CD1 3.79Å; R95-Y125 HydrophobicContact CB-CG 4.3Å; R95-Y125 HydrophobicContact CG-CD1 3.96Å; R95-Y125 HydrophobicContact CG-CE1 4.46Å; R95-Q129 PolarHBondContact O-OE1 2.99Å
96S96.3Very high97.5Very high32 Ų3238.1 Ų38.122%0.22417%0.174CC..THydrogen-bonded Turntrans-841.2-179.2-65.60000114.1E62 K92 A93 A94 K98E62-S96 WeakPolarHBondContact CG-OG 3.44Å; E62-S96 VanDerWaalsContact O-CB 3.29Å; E62-S96 WeakPolarHBondContact O-CB 3.49Å; E62-S96 PolarHBondContact O-OG 3.01Å; K92-S96 WeakPolarHBondContact O-CB 3.5Å; K92-S96 PolarHBondContact O-N 2.9Å; K92-S96 PolarHBondContact O-OG 3.21Å; A93-S96 PolarHBondContact O-N 2.92Å; A94-S96 VanDerWaalsContact C-N 3.32Å; A94-S96 PolarHBondContact O-N 3Å; S96-K98 VanDerWaalsContact C-N 3.3Å; S96-K98 WeakPolarHBondContact O-CE 3.34Å; S96-K98 PolarHBondContact O-N 3.3Å
97G96.8Very high97.4Very high24 Ų2441.2 Ų41.225%0.24719%0.189CC..THydrogen-bonded Turntrans69.322.7178.700000114.5A93 A94 R95 V99 I134A93-G97 PolarHBondContact O-N 3.09Å; A93-G97 VanDerWaalsContact O-N 3.07Å; A94-G97 PolarHBondContact O-N 3.01Å; R95-G97 VanDerWaalsContact C-N 3.29Å; R95-G97 PolarHBondContact O-N 3.47Å; G97-V99 PolarHBondContact O-N 3.2Å; G97-V99 VanDerWaalsContact O-N 3.08Å; G97-I134 VanDerWaalsContact C-CD1 3.48Å
98K97Very high97.3Very high73 Ų7342.6 Ų42.632%0.31720%0.196SC..  trans-85.381.4-173.5-55-57.8178.11540111.7E62 D63 A93 S96 W100 A101 V102E62-K98 VanDerWaalsContact O-CE 3.28Å; E62-K98 WeakPolarHBondContact O-CE 3.36Å; E62-K98 WeakPolarHBondContact O-CG 3.31Å; D63-K98 VanDerWaalsContact O-CD 3.28Å; D63-K98 WeakPolarHBondContact O-CD 3.39Å; D63-K98 WeakPolarHBondContact O-CE 3.33Å; D63-K98 PolarHBondContact O-NZ 2.85Å; A93-K98 HydrophobicContact CB-CB 4.46Å; A93-K98 PolarHBondContact O-N 2.86Å; S96-K98 VanDerWaalsContact C-N 3.3Å; S96-K98 WeakPolarHBondContact O-CE 3.34Å; S96-K98 PolarHBondContact O-N 3.3Å; K98-W100 VanDerWaalsContact C-N 3.32Å; K98-W100 PolarHBondContact O-N 3.47Å; K98-A101 HydrophobicContact CB-CB 3.91Å; K98-A101 PolarHBondContact O-N 3.48Å; K98-A101 VanDerWaalsContact O-N 3.09Å; K98-V102 WeakPolarHBondContact O-CG2 3.43Å; K98-V102 PolarHBondContact O-N 3.08Å
99V96.5Very high97.2Very high56 Ų5645.2 Ų45.234%0.33922%0.223SC..Hα-helixtrans-50.4-48.3-175.8-179.70000112.6G97 A101 V102 R103 E133 I134 M137G97-V99 PolarHBondContact O-N 3.2Å; G97-V99 VanDerWaalsContact O-N 3.08Å; V99-A101 PolarHBondContact O-N 3.14Å; V99-V102 PolarHBondContact O-N 3.18Å; V99-R103 WeakPolarHBondContact O-CB 3.4Å; V99-R103 PolarHBondContact O-N 3.15Å; V99-E133 HydrophobicContact CG1-CG 3.84Å; V99-E133 HydrophobicContact CG2-CB 4.49Å; V99-I134 HydrophobicContact CG2-CD1 4.28Å; V99-I134 HydrophobicContact CG2-CG1 4.03Å; V99-M137 HydrophobicContact CG1-SD 4.15Å
100W95.9Very high97.2Very high112 Ų11245.6 Ų45.642%0.42423%0.226SC..Hα-helixtrans-63.8-42.3-178.2-170.7102.2000111.7G66 L69 S70 K98 R103 R104G66-W100 VanDerWaalsContact CA-CE3 3.47Å; G66-W100 WeakPolarHBondContact O-CH2 3.33Å; L69-W100 HydrophobicContact CB-CZ3 4.1Å; L69-W100 HydrophobicContact CD2-CE3 4.28Å; L69-W100 HydrophobicContact CD2-CZ3 3.59Å; L69-W100 HydrophobicContact CG-CZ3 4.49Å; S70-W100 WeakPolarHBondContact OG-CH2 3.28Å; K98-W100 VanDerWaalsContact C-N 3.32Å; K98-W100 PolarHBondContact O-N 3.47Å; W100-R103 WeakPolarHBondContact O-CB 3.38Å; W100-R103 PolarHBondContact O-N 2.72Å; W100-R104 HydrophobicContact CD2-CG 4.04Å; W100-R104 HydrophobicContact CE3-CB 4.3Å; W100-R104 HydrophobicContact CE3-CG 3.9Å; W100-R104 HydrophobicContact CH2-CB 4.11Å; W100-R104 HydrophobicContact CH2-CG 3.43Å; W100-R104 VanDerWaalsContact CH2-CG 3.43Å; W100-R104 HydrophobicContact CZ2-CG 3.65Å; W100-R104 HydrophobicContact CZ3-CB 3.83Å; W100-R104 HydrophobicContact CZ3-CG 3.53Å; W100-R104 PolarHBondContact O-N 2.88Å
101A97.3Very high97.2Very high0 Ų049.1 Ų49.10%025%0.245CC..Hα-helixtrans-65.2-44.3178.800000111.8L69 A93 K98 V99 R103 R104 L105L69-A101 HydrophobicContact CD1-CB 4.47Å; L69-A101 HydrophobicContact CD2-CB 4.23Å; A93-A101 HydrophobicContact CB-CB 3.98Å; K98-A101 HydrophobicContact CB-CB 3.91Å; K98-A101 PolarHBondContact O-N 3.48Å; K98-A101 VanDerWaalsContact O-N 3.09Å; V99-A101 PolarHBondContact O-N 3.14Å; A101-R103 VanDerWaalsContact C-N 3.28Å; A101-R103 PolarHBondContact O-N 2.99Å; A101-R104 PolarHBondContact O-N 3.4Å; A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 VanDerWaalsContact O-CG 3.28Å; A101-L105 WeakPolarHBondContact O-CG 3.24Å; A101-L105 PolarHBondContact O-N 3.46Å
102V97.8Very high97.2Very high0 Ų049.4 Ų49.40%025%0.247CC..Hα-helixtrans-56.9-45.9173178.50000110L90 A93 K98 V99 R104 L105 L106 I134 M137 L138L90-V102 HydrophobicContact CD1-CB 4.31Å; L90-V102 HydrophobicContact CD1-CG1 3.75Å; L90-V102 HydrophobicContact CD1-CG2 4.41Å; A93-V102 HydrophobicContact CB-CG2 3.71Å; K98-V102 WeakPolarHBondContact O-CG2 3.43Å; K98-V102 PolarHBondContact O-N 3.08Å; V99-V102 PolarHBondContact O-N 3.18Å; V102-R104 VanDerWaalsContact C-N 3.28Å; V102-R104 PolarHBondContact O-N 3.42Å; V102-L105 PolarHBondContact O-N 2.92Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.33Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 2.92Å; V102-I134 HydrophobicContact CG1-CG2 4.11Å; V102-I134 HydrophobicContact CG2-CD1 4Å; V102-I134 HydrophobicContact CG2-CG1 4.14Å; V102-I134 HydrophobicContact CG2-CG2 4.05Å; V102-M137 HydrophobicContact CB-CE 3.77Å; V102-M137 HydrophobicContact CG1-CE 3.41Å; V102-M137 VanDerWaalsContact CG1-CE 3.41Å; V102-L138 HydrophobicContact CG1-CD2 4.44Å
103R96.8Very high97.2Very high178 Ų17850.2 Ų50.267%0.67225%0.252SS*.Hα-helixtrans-60.4-40.5-177.6-167.2177.9-160.9170.26.1111.9V99 W100 A101 L107 M137V99-R103 WeakPolarHBondContact O-CB 3.4Å; V99-R103 PolarHBondContact O-N 3.15Å; W100-R103 WeakPolarHBondContact O-CB 3.38Å; W100-R103 PolarHBondContact O-N 2.72Å; A101-R103 VanDerWaalsContact C-N 3.28Å; A101-R103 PolarHBondContact O-N 2.99Å; R103-L107 PolarHBondContact O-N 3.01Å; R103-L107 VanDerWaalsContact O-N 3.12Å; R103-M137 HydrophobicContact CB-CE 3.7Å; R103-M137 HydrophobicContact CB-SD 4.44Å; R103-M137 HydrophobicContact CG-CE 4.31Å; R103-M137 VanDerWaalsContact N-CE 3.29Å
104R96.6Very high97.2Very high57 Ų5751.1 Ų51.122%0.21526%0.258CS..Hα-helixtrans-77.6-39.5-178.4-73.7-80.8-67.81711112.1L69 S70 W100 A101 V102 L106 L107 F108L69-R104 HydrophobicContact CD2-CB 3.68Å; S70-R104 PolarHBondContact OG-NH2 2.91Å; W100-R104 HydrophobicContact CD2-CG 4.04Å; W100-R104 HydrophobicContact CE3-CB 4.3Å; W100-R104 HydrophobicContact CE3-CG 3.9Å; W100-R104 HydrophobicContact CH2-CB 4.11Å; W100-R104 HydrophobicContact CH2-CG 3.43Å; W100-R104 VanDerWaalsContact CH2-CG 3.43Å; W100-R104 HydrophobicContact CZ2-CG 3.65Å; W100-R104 HydrophobicContact CZ3-CB 3.83Å; W100-R104 HydrophobicContact CZ3-CG 3.53Å; W100-R104 PolarHBondContact O-N 2.88Å; A101-R104 PolarHBondContact O-N 3.4Å; V102-R104 VanDerWaalsContact C-N 3.28Å; V102-R104 PolarHBondContact O-N 3.42Å; R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.23Å; R104-L107 WeakPolarHBondContact O-CB 3.21Å; R104-L107 PolarHBondContact O-N 3.37Å; R104-F108 WeakPolarHBondContact O-CD2 3.19Å; R104-F108 PolarHBondContact O-N 3.22Å; R104-F108 VanDerWaalsContact O-N 3.09Å
105L97.7Very high97.2Very high0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-58.8-43.9172.3-71.1166.9000111.5L57 A61 L69 L73 V79 P89 L90 A93 A101 V102 L107 F108 G109 A110L57-L105 HydrophobicContact CD1-CD2 4.37Å; L57-L105 HydrophobicContact CD2-CD2 4.29Å; L57-L105 HydrophobicContact CG-CD2 4.47Å; A61-L105 HydrophobicContact CB-CD1 3.98Å; L69-L105 HydrophobicContact CD1-CD2 4.46Å; L69-L105 HydrophobicContact CD2-CG 4.38Å; L73-L105 HydrophobicContact CD1-CD2 4.32Å; L73-L105 HydrophobicContact CD2-CD2 4.21Å; V79-L105 HydrophobicContact CG1-CD2 4.17Å; P89-L105 HydrophobicContact CB-CD1 4.08Å; P89-L105 HydrophobicContact CB-CD2 4.08Å; L90-L105 HydrophobicContact CB-CD1 4.32Å; L90-L105 HydrophobicContact CD1-CB 4.13Å; L90-L105 HydrophobicContact CD1-CD1 4.39Å; A93-L105 HydrophobicContact CB-CD1 4.14Å; A101-L105 WeakPolarHBondContact O-CB 3.19Å; A101-L105 VanDerWaalsContact O-CG 3.28Å; A101-L105 WeakPolarHBondContact O-CG 3.24Å; A101-L105 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 2.92Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.38Å; L105-F108 CarbonylContact O-C 3.56Å; L105-F108 PolarHBondContact O-N 2.93Å; L105-G109 PolarHBondContact O-N 2.79Å; L105-A110 HydrophobicContact CB-CB 4.03Å; L105-A110 WeakPolarHBondContact O-CB 3.17Å; L105-A110 PolarHBondContact O-N 2.89Å
106L97.5Very high97.2Very high38 Ų3850.2 Ų50.220%0.19926%0.257CS..Hα-helixtrans-62.7-39.4175.4-67.6176.3000112.6L90 V102 R104 F108 G109 V112 M137 L138 A141L90-L106 HydrophobicContact CD1-CD2 4.28Å; L90-L106 HydrophobicContact CD1-CG 4.35Å; L90-L106 HydrophobicContact CD2-CD2 4.13Å; V102-L106 HydrophobicContact CG1-CD1 3.96Å; V102-L106 HydrophobicContact CG1-CG 4.33Å; V102-L106 WeakPolarHBondContact O-CB 3.36Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.49Å; V102-L106 PolarHBondContact O-N 2.92Å; R104-L106 VanDerWaalsContact C-N 3.31Å; R104-L106 PolarHBondContact O-N 3.23Å; L106-F108 PolarHBondContact O-N 3.43Å; L106-G109 PolarHBondContact O-N 3.19Å; L106-V112 HydrophobicContact CD2-CG1 3.36Å; L106-M137 HydrophobicContact CD1-CB 4.09Å; L106-M137 HydrophobicContact CD1-CE 3.94Å; L106-L138 HydrophobicContact CD2-CD2 4.34Å; L106-A141 HydrophobicContact CD1-CB 4.38Å; L106-A141 HydrophobicContact CD2-CB 4.02Å
107L96.2Very high97.3Very high125 Ų12555.3 Ų55.365%0.65427%0.271SS*.Hα-helixtrans-62.4-32.4176.3-176.966.3000112.4R103 R104 L105 G109R103-L107 PolarHBondContact O-N 3.01Å; R103-L107 VanDerWaalsContact O-N 3.12Å; R104-L107 WeakPolarHBondContact O-CB 3.21Å; R104-L107 PolarHBondContact O-N 3.37Å; L105-L107 VanDerWaalsContact C-N 3.35Å; L105-L107 PolarHBondContact O-N 3.38Å; L107-G109 PolarHBondContact O-N 3.42Å
108F96.8Very high97.3Very high71 Ų7157.8 Ų57.831%0.31128%0.278SS..THydrogen-bonded Turntrans-86.111.6175.5-82.9-97.8000113.4L73 N74 V79 R104 L105 L106L73-F108 HydrophobicContact CB-CD1 3.82Å; L73-F108 HydrophobicContact CB-CD2 4.09Å; L73-F108 HydrophobicContact CB-CE1 3.77Å; L73-F108 HydrophobicContact CB-CE2 4.04Å; L73-F108 HydrophobicContact CB-CG 3.98Å; L73-F108 HydrophobicContact CB-CZ 3.89Å; L73-F108 HydrophobicContact CD1-CB 4.43Å; L73-F108 HydrophobicContact CD1-CD2 3.78Å; L73-F108 HydrophobicContact CD1-CE2 4.22Å; L73-F108 HydrophobicContact CD1-CG 4.06Å; L73-F108 HydrophobicContact CD2-CB 4.15Å; L73-F108 HydrophobicContact CD2-CD1 4.41Å; L73-F108 HydrophobicContact CD2-CG 4.18Å; L73-F108 HydrophobicContact CG-CD2 4.41Å; L73-F108 HydrophobicContact CG-CG 4.31Å; N74-F108 VanDerWaalsContact OD1-CZ 3.26Å; N74-F108 WeakPolarHBondContact OD1-CZ 3.41Å; V79-F108 HydrophobicContact CG1-CB 4.48Å; V79-F108 HydrophobicContact CG2-CB 4.02Å; R104-F108 WeakPolarHBondContact O-CD2 3.19Å; R104-F108 PolarHBondContact O-N 3.22Å; R104-F108 VanDerWaalsContact O-N 3.09Å; L105-F108 CarbonylContact O-C 3.56Å; L105-F108 PolarHBondContact O-N 2.93Å; L106-F108 PolarHBondContact O-N 3.43Å
109G96.1Very high97.4Very high56 Ų5657 Ų5758%0.57728%0.278SS*.THydrogen-bonded Turntrans82.924172.900000115L105 L106 L107 N111L105-G109 PolarHBondContact O-N 2.79Å; L106-G109 PolarHBondContact O-N 3.19Å; L107-G109 PolarHBondContact O-N 3.42Å; G109-N111 PolarHBondContact O-N 3.44Å
110A98Very high97.5Very high8 Ų854.8 Ų54.87%0.06626%0.264CS..  trans-54.9129.217500000111.7V79 D80 L90 L105 V112V79-A110 HydrophobicContact CG1-CB 3.54Å; D80-A110 WeakPolarHBondContact OD1-CA 3.42Å; L90-A110 HydrophobicContact CB-CB 4.4Å; L90-A110 HydrophobicContact CD2-CB 4.09Å; L105-A110 HydrophobicContact CB-CB 4.03Å; L105-A110 WeakPolarHBondContact O-CB 3.17Å; L105-A110 PolarHBondContact O-N 2.89Å; A110-V112 PolarHBondContact O-N 3.36Å
111N98.1Very high97.6Very high76 Ų7649.5 Ų49.541%0.40624%0.244SC..  trans-77.1110.8179.5-178.6-7.4000111.1D80 G109 N113 V114D80-N111 PolarHBondContact OD1-N 3.24Å; D80-N111 VanDerWaalsContact OD2-CB 3.25Å; D80-N111 WeakPolarHBondContact OD2-CB 3.45Å; D80-N111 PolarHBondContact OD2-N 3.21Å; D80-N111 VanDerWaalsContact OD2-N 3.15Å; G109-N111 PolarHBondContact O-N 3.44Å; N111-N113 PolarHBondContact O-N 3.44Å; N111-N113 PolarHBondContact OD1-N 2.95Å; N111-V114 HydrophobicContact CB-CG2 3.79Å
112V98.1Very high97.7Very high8 Ų849.6 Ų49.65%0.04825%0.245CC..THydrogen-bonded Turntrans-69.1-16.2-178.1-58.30000114.6L90 L106 A110 L138 A141L90-V112 HydrophobicContact CD2-CB 4.47Å; L90-V112 HydrophobicContact CD2-CG1 4.02Å; L106-V112 HydrophobicContact CD2-CG1 3.36Å; A110-V112 PolarHBondContact O-N 3.36Å; V112-L138 HydrophobicContact CB-CD2 4.38Å; V112-L138 HydrophobicContact CG1-CD2 3.91Å; V112-A141 HydrophobicContact CG1-CB 3.74Å; V112-A141 VanDerWaalsContact CG2-O 3.23Å; V112-A141 WeakPolarHBondContact CG2-O 3.48Å
113N98Very high97.7Very high40 Ų4049.7 Ų49.721%0.21425%0.245CC..THydrogen-bonded Turntrans-103.15.8-173-69.1-50.9000113.3N111 E142 R144N111-N113 PolarHBondContact O-N 3.44Å; N111-N113 PolarHBondContact OD1-N 2.95Å; N113-E142 PolarHBondContact ND2-O 3.48Å; N113-R144 WeakPolarHBondContact OD1-CG 3.29Å; N113-R144 PolarHBondContact OD1-N 3.25Å
114V98.2Very high97.8Very high19 Ų1941.2 Ų41.212%0.11521%0.213CC..  trans-59142.6168.5-179.90000108.9T88 M91 N111T88-V114 HydrophobicContact CG2-CB 4.03Å; T88-V114 HydrophobicContact CG2-CG1 3.64Å; T88-V114 HydrophobicContact CG2-CG2 4.31Å; M91-V114 VanDerWaalsContact CE-C 3.47Å; M91-V114 HydrophobicContact CE-CB 4.11Å; M91-V114 HydrophobicContact CE-CG1 4.06Å; M91-V114 WeakPolarHBondContact CE-O 3.41Å; N111-V114 HydrophobicContact CB-CG2 3.79Å
115K98.1Very high97.8Very high76 Ų7638.8 Ų38.833%0.3320%0.204SC..  trans-113.4136.3177.9-70.8-168175.6-162.70110.1D119 E120 T121K115-D119 HydrophobicContact CD-CB 4.05Å; K115-D119 WeakPolarHBondContact CD-OD1 3.49Å; K115-D119 IonicContact NZ-OD1 3.23Å; K115-D119 PolarHBondContact NZ-OD1 2.99Å; K115-E120 WeakPolarHBondContact CA-O 3.47Å; K115-T121 HydrophobicContact CG-CG2 4.1Å
116D98.2Very high97.9Very high6 Ų638.8 Ų38.83%0.03220%0.204CC..  trans-79.5-175.1172.279.1-2.1000111.6T85 K87 M91 N118 D119 E120 Y125T85-D116 WeakPolarHBondContact O-CB 3.44Å; K87-D116 WeakPolarHBondContact CE-OD2 3.41Å; K87-D116 HydrophobicContact CG-CB 3.72Å; M91-D116 HydrophobicContact CE-CB 4.33Å; M91-D116 HydrophobicContact SD-CB 3.9Å; D116-N118 PolarHBondContact O-N 3.2Å; D116-N118 VanDerWaalsContact O-N 3.1Å; D116-N118 WeakPolarHBondContact OD1-CA 3.2Å; D116-N118 WeakPolarHBondContact OD1-CB 3.42Å; D116-N118 PolarHBondContact OD1-N 3.17Å; D116-D119 PolarHBondContact O-N 2.94Å; D116-D119 PolarHBondContact OD1-N 3.05Å; D116-E120 PolarHBondContact N-O 2.89Å; D116-E120 WeakPolarHBondContact OD1-CB 3.44Å; D116-E120 PolarHBondContact OD1-N 3.23Å; D116-Y125 PolarHBondContact OD2-OH 2.84Å
117R97.6Very high97.9Very high139 Ų13937 Ų3753%0.52520%0.195SC..THydrogen-bonded Turntrans-60.8-17.3178.1-85.9-168.1-170.5-177.62.1114.2I84 T85 N86 Q150I84-R117 PolarHBondContact O-NE 3.43Å; I84-R117 PolarHBondContact O-NH2 3.18Å; T85-R117 WeakPolarHBondContact O-CB 3.39Å; T85-R117 WeakPolarHBondContact O-CG 3.43Å; T85-R117 PolarHBondContact O-N 3.42Å; N86-R117 HydrophobicContact CB-CG 4.38Å; R117-Q150 VanDerWaalsContact O-CD 3.3Å; R117-Q150 PolarHBondContact O-NE2 3.42Å
118N97.5Very high98Very high75 Ų7533.6 Ų33.640%0.40117%0.173SC..THydrogen-bonded Turntrans-101.213.7177.9-64.3-15.1000111.8D116 E120 N149 Q150D116-N118 PolarHBondContact O-N 3.2Å; D116-N118 VanDerWaalsContact O-N 3.1Å; D116-N118 WeakPolarHBondContact OD1-CA 3.2Å; D116-N118 WeakPolarHBondContact OD1-CB 3.42Å; D116-N118 PolarHBondContact OD1-N 3.17Å; N118-E120 HydrophobicContact CB-CG 3.96Å; N118-E120 PolarHBondContact O-N 2.87Å; N118-N149 WeakPolarHBondContact O-CB 3.28Å; N118-Q150 WeakPolarHBondContact O-CG 3.39Å; N118-Q150 PolarHBondContact O-N 3.23Å
119D98.1Very high97.9Very high56 Ų5634.7 Ų34.730%0.29918%0.179SC..SBendtrans60.417-171-75.2-64.2000114.1K115 D116 Q150K115-D119 HydrophobicContact CD-CB 4.05Å; K115-D119 WeakPolarHBondContact CD-OD1 3.49Å; K115-D119 IonicContact NZ-OD1 3.23Å; K115-D119 PolarHBondContact NZ-OD1 2.99Å; D116-D119 PolarHBondContact O-N 2.94Å; D116-D119 PolarHBondContact OD1-N 3.05Å; D119-Q150 HydrophobicContact CB-CG 4.21Å; D119-Q150 WeakPolarHBondContact OD2-CG 3.49Å
120E98.4Very high97.9Very high10 Ų1032.9 Ų32.95%0.04716%0.161CC..  trans-82137.2179.1-59.2-169142.100110.9M91 K115 D116 N118 H124 Y125 R128 N149M91-E120 WeakPolarHBondContact CE-O 3.49Å; K115-E120 WeakPolarHBondContact CA-O 3.47Å; D116-E120 PolarHBondContact N-O 2.89Å; D116-E120 WeakPolarHBondContact OD1-CB 3.44Å; D116-E120 PolarHBondContact OD1-N 3.23Å; N118-E120 HydrophobicContact CB-CG 3.96Å; N118-E120 PolarHBondContact O-N 2.87Å; E120-H124 HydrophobicContact CB-CB 4.17Å; E120-Y125 HydrophobicContact CB-CE2 3.86Å; E120-Y125 PolarHBondContact OE2-OH 3.1Å; E120-R128 IonicContact OE1-CZ 2.91Å; E120-R128 IonicContact OE1-NH1 2.91Å; E120-R128 PolarHBondContact OE1-NH1 3.15Å; E120-R128 IonicContact OE1-NH2 3.87Å; E120-R128 PolarHBondContact OE1-NH2 2.92Å; E120-R128 IonicContact OE2-CZ 2.64Å; E120-R128 IonicContact OE2-NH1 3.32Å; E120-R128 PolarHBondContact OE2-NH1 3.13Å; E120-R128 IonicContact OE2-NH2 3.63Å; E120-N149 HydrophobicContact CG-CB 3.79Å; E120-N149 PolarHBondContact OE1-ND2 3.25Å
121T98.5Very high97.7Very high2 Ų233.6 Ų33.61%0.01217%0.165CC..  trans-99.6167.6173.865.60000110.8K115 L123 H124 Y125 A147K115-T121 HydrophobicContact CG-CG2 4.1Å; T121-L123 PolarHBondContact O-N 2.89Å; T121-L123 VanDerWaalsContact O-N 3.08Å; T121-L123 PolarHBondContact OG1-N 3.25Å; T121-H124 PolarHBondContact N-ND1 2.67Å; T121-H124 VanDerWaalsContact N-ND1 3.2Å; T121-H124 WeakPolarHBondContact O-CB 3.37Å; T121-H124 PolarHBondContact O-N 3.17Å; T121-H124 PolarHBondContact OG1-ND1 2.73Å; T121-Y125 WeakPolarHBondContact O-CD2 3.48Å; T121-Y125 PolarHBondContact O-N 2.78Å; T121-A147 HydrophobicContact CG2-CB 4.17Å
122A98.4Very high97.6Very high2 Ų232.5 Ų32.52%0.01716%0.161CC..Hα-helixtrans-54.3-30.6173.500000113.1L90 M91 Y125 A126 L138L90-A122 HydrophobicContact CD2-CB 3.94Å; L90-A122 HydrophobicContact CG-CB 3.91Å; M91-A122 HydrophobicContact CG-CB 4.23Å; A122-Y125 PolarHBondContact O-N 3.25Å; A122-A126 PolarHBondContact O-N 2.5Å; A122-L138 HydrophobicContact CB-CD1 4.01Å; A122-L138 HydrophobicContact CB-CD2 4.1Å; A122-L138 WeakPolarHBondContact O-CD1 3.44Å
123L98.5Very high97.6Very high1 Ų136 Ų361%0.00518%0.177CC..Hα-helixtrans-68.1-35.9177.7-172.263.5000112.2T121 A126 C127 T135 L138 I139 L145 P155 L171T121-L123 PolarHBondContact O-N 2.89Å; T121-L123 VanDerWaalsContact O-N 3.08Å; T121-L123 PolarHBondContact OG1-N 3.25Å; L123-A126 PolarHBondContact O-N 2.89Å; L123-C127 VanDerWaalsContact O-CB 3.29Å; L123-C127 WeakPolarHBondContact O-CB 3.43Å; L123-C127 PolarHBondContact O-N 2.71Å; L123-C127 PolarHBondContact O-SG 2.87Å; L123-T135 HydrophobicContact CD1-CG2 3.94Å; L123-L138 HydrophobicContact CB-CD1 4.43Å; L123-L138 HydrophobicContact CD1-CB 4.07Å; L123-L138 HydrophobicContact CD1-CD1 4.36Å; L123-I139 HydrophobicContact CD1-CG1 4.22Å; L123-L145 HydrophobicContact CD2-CD2 3.91Å; L123-P155 HydrophobicContact CB-CG 4.27Å; L123-P155 HydrophobicContact CD2-CB 3.93Å; L123-P155 HydrophobicContact CD2-CG 3.8Å; L123-P155 HydrophobicContact CG-CB 3.8Å; L123-P155 HydrophobicContact CG-CG 3.93Å; L123-L171 HydrophobicContact CD2-CD2 4.5Å
124H98.5Very high97.6Very high0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-59.7-49.2173.6-71.181.9000110.6E120 T121 A126 C127 R128 A147 L153 E158E120-H124 HydrophobicContact CB-CB 4.17Å; T121-H124 PolarHBondContact N-ND1 2.67Å; T121-H124 VanDerWaalsContact N-ND1 3.2Å; T121-H124 WeakPolarHBondContact O-CB 3.37Å; T121-H124 PolarHBondContact O-N 3.17Å; T121-H124 PolarHBondContact OG1-ND1 2.73Å; H124-A126 PolarHBondContact O-N 3.25Å; H124-C127 PolarHBondContact O-N 2.71Å; H124-R128 WeakPolarHBondContact O-CB 3.43Å; H124-R128 PolarHBondContact O-N 3.11Å; H124-A147 PolarHBondContact CE1-O 3.41Å; H124-A147 VanDerWaalsContact CE1-O 3.25Å; H124-A147 PolarHBondContact NE2-O 2.95Å; H124-L153 PolarHBondContact NE2-O 2.93Å; H124-L153 VanDerWaalsContact NE2-O 3.11Å; H124-E158 HydrophobicContact CB-CG 4.48Å
125Y98.2Very high97.6Very high7 Ų733.2 Ų33.23%0.02716%0.162CC..Hα-helixtrans-60.8-44.1178.1-73-75.2000112.7K87 M91 R95 D116 E120 T121 A122 R128 Q129K87-Y125 WeakPolarHBondContact CE-OH 3.25Å; K87-Y125 PolarHBondContact NZ-OH 3Å; M91-Y125 HydrophobicContact CB-CD2 3.97Å; M91-Y125 HydrophobicContact CB-CE2 4.09Å; M91-Y125 HydrophobicContact CG-CD2 4.14Å; M91-Y125 HydrophobicContact CG-CE2 4.24Å; M91-Y125 HydrophobicContact SD-CE2 4.2Å; R95-Y125 HydrophobicContact CB-CD1 3.79Å; R95-Y125 HydrophobicContact CB-CG 4.3Å; R95-Y125 HydrophobicContact CG-CD1 3.96Å; R95-Y125 HydrophobicContact CG-CE1 4.46Å; D116-Y125 PolarHBondContact OD2-OH 2.84Å; E120-Y125 HydrophobicContact CB-CE2 3.86Å; E120-Y125 PolarHBondContact OE2-OH 3.1Å; T121-Y125 WeakPolarHBondContact O-CD2 3.48Å; T121-Y125 PolarHBondContact O-N 2.78Å; A122-Y125 PolarHBondContact O-N 3.25Å; Y125-R128 PolarHBondContact O-N 3.45Å; Y125-Q129 VanDerWaalsContact O-CB 3.28Å; Y125-Q129 WeakPolarHBondContact O-CB 3.24Å; Y125-Q129 PolarHBondContact O-N 2.93Å
126A98.2Very high97.6Very high0 Ų034.6 Ų34.60%017%0.165CC..Hα-helixtrans-63-43.1177.700000112.4A94 A122 L123 H124 Q129 G130 S131 I134 L138A94-A126 HydrophobicContact CB-CB 4.39Å; A122-A126 PolarHBondContact O-N 2.5Å; L123-A126 PolarHBondContact O-N 2.89Å; H124-A126 PolarHBondContact O-N 3.25Å; A126-Q129 PolarHBondContact O-N 3.46Å; A126-G130 PolarHBondContact O-N 2.91Å; A126-S131 PolarHBondContact O-N 3.1Å; A126-I134 HydrophobicContact CB-CB 4.3Å; A126-I134 HydrophobicContact CB-CG2 3.57Å; A126-L138 HydrophobicContact CB-CD1 3.7Å
127C98.2Very high97.6Very high0 Ų035.3 Ų35.30%017%0.168CC..Hα-helixtrans-67.9-37.8178.8-74.10000112.8L123 H124 G130 P155 E158 Q164L123-C127 VanDerWaalsContact O-CB 3.29Å; L123-C127 WeakPolarHBondContact O-CB 3.43Å; L123-C127 PolarHBondContact O-N 2.71Å; L123-C127 PolarHBondContact O-SG 2.87Å; H124-C127 PolarHBondContact O-N 2.71Å; C127-G130 PolarHBondContact O-N 3.08Å; C127-P155 HydrophobicContact CB-CB 4.32Å; C127-P155 VanDerWaalsContact CB-O 3.27Å; C127-P155 WeakPolarHBondContact CB-O 3.32Å; C127-E158 HydrophobicContact CB-CB 4.49Å; C127-Q164 WeakPolarHBondContact O-CG 3.32Å
128R97.2Very high97.6Very high53 Ų5328.8 Ų28.820%0.214%0.143CC..Hα-helixtrans-63.5-43.1171.5178.9176.9-60.3152.4-4.5111.8E120 H124 Y125 G130 E158 Y162 Q164E120-R128 IonicContact OE1-CZ 2.91Å; E120-R128 IonicContact OE1-NH1 2.91Å; E120-R128 PolarHBondContact OE1-NH1 3.15Å; E120-R128 IonicContact OE1-NH2 3.87Å; E120-R128 PolarHBondContact OE1-NH2 2.92Å; E120-R128 IonicContact OE2-CZ 2.64Å; E120-R128 IonicContact OE2-NH1 3.32Å; E120-R128 PolarHBondContact OE2-NH1 3.13Å; E120-R128 IonicContact OE2-NH2 3.63Å; H124-R128 WeakPolarHBondContact O-CB 3.43Å; H124-R128 PolarHBondContact O-N 3.11Å; Y125-R128 PolarHBondContact O-N 3.45Å; R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 3.02Å; R128-E158 IonicContact CZ-OE1 3.84Å; R128-E158 IonicContact CZ-OE2 3.93Å; R128-E158 VanDerWaalsContact CZ-OE2 3.32Å; R128-E158 IonicContact NE-OE2 2.86Å; R128-E158 PolarHBondContact NE-OE2 3.23Å; R128-E158 IonicContact NH2-OE1 2.58Å; R128-E158 PolarHBondContact NH2-OE1 2.97Å; R128-E158 IonicContact NH2-OE2 3.18Å; R128-E158 PolarHBondContact NH2-OE2 3.21Å; R128-Y162 HydrophobicContact CB-CD2 4.27Å; R128-Y162 HydrophobicContact CB-CE2 4.39Å; R128-Y162 HydrophobicContact CG-CD1 3.89Å; R128-Y162 HydrophobicContact CG-CD2 3.67Å; R128-Y162 HydrophobicContact CG-CE1 3.75Å; R128-Y162 HydrophobicContact CG-CE2 3.53Å; R128-Y162 HydrophobicContact CG-CG 3.84Å; R128-Y162 PolarHBondContact NE-OH 2.93Å; R128-Q164 PolarHBondContact O-NE2 3.44Å; R128-Q164 VanDerWaalsContact O-NE2 3.12Å
129Q96.6Very high97.6Very high95 Ų9526.1 Ų26.144%0.44413%0.129SC..Hα-helixtrans-71.6-24-179.4-176.355.519.300113.4R95 Y125 A126R95-Q129 PolarHBondContact O-OE1 2.99Å; Y125-Q129 VanDerWaalsContact O-CB 3.28Å; Y125-Q129 WeakPolarHBondContact O-CB 3.24Å; Y125-Q129 PolarHBondContact O-N 2.93Å; A126-Q129 PolarHBondContact O-N 3.46Å
130G94.3Very high97.5Very high18 Ų1831.2 Ų31.219%0.18615%0.148CC..THydrogen-bonded Turntrans81.710.9179.700000115.1A126 C127 R128 T132 Q164A126-G130 PolarHBondContact O-N 2.91Å; C127-G130 PolarHBondContact O-N 3.08Å; R128-G130 VanDerWaalsContact C-N 3.31Å; R128-G130 PolarHBondContact O-N 3.02Å; G130-T132 PolarHBondContact O-N 3.29Å; G130-Q164 VanDerWaalsContact CA-OE1 3.28Å
131S95.7Very high97.4Very high23 Ų2332.5 Ų32.516%0.16116%0.161CC..  trans-77.295.3-179.7-175.60000111A126 E133 I134 T135A126-S131 PolarHBondContact O-N 3.1Å; S131-E133 PolarHBondContact O-N 2.85Å; S131-I134 PolarHBondContact O-N 2.86Å; S131-I134 VanDerWaalsContact O-N 3.16Å; S131-I134 WeakPolarHBondContact OG-CD1 3.3Å; S131-I134 WeakPolarHBondContact OG-CG1 3.34Å; S131-T135 PolarHBondContact O-N 3.33Å; S131-T135 PolarHBondContact O-OG1 3.16Å; S131-T135 VanDerWaalsContact O-OG1 3.07Å
132T95.9Very high97.3Very high52 Ų5240.3 Ų40.332%0.31920%0.197SC..Hα-helixtrans-54.7-36.8-179.355.30000113.2G130 R136 E166G130-T132 PolarHBondContact O-N 3.29Å; T132-R136 WeakPolarHBondContact O-CB 3.33Å; T132-R136 PolarHBondContact O-N 3.46Å; T132-E166 HydrophobicContact CG2-CB 3.34Å; T132-E166 HydrophobicContact CG2-CG 4.34Å
133E97.6Very high97.2Very high83 Ų8340.7 Ų40.739%0.38820%0.2SC..Hα-helixtrans-71.3-43.6179.6-172.557.8-163.800111.9V99 S131 R136 M137V99-E133 HydrophobicContact CG1-CG 3.84Å; V99-E133 HydrophobicContact CG2-CB 4.49Å; S131-E133 PolarHBondContact O-N 2.85Å; E133-R136 WeakPolarHBondContact O-CB 3.2Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE2-NE 3.72Å; E133-M137 HydrophobicContact CG-SD 4.22Å; E133-M137 VanDerWaalsContact O-CG 3.31Å; E133-M137 WeakPolarHBondContact O-CG 3.44Å; E133-M137 PolarHBondContact O-N 3.19Å
134I98.3Very high97.2Very high0 Ų048.4 Ų48.40%023%0.229CC..Hα-helixtrans-64.4-45.2175.9-65.6174000110A94 G97 V99 V102 A126 S131 R136 M137 L138A94-I134 HydrophobicContact CB-CG2 4.16Å; G97-I134 VanDerWaalsContact C-CD1 3.48Å; V99-I134 HydrophobicContact CG2-CD1 4.28Å; V99-I134 HydrophobicContact CG2-CG1 4.03Å; V102-I134 HydrophobicContact CG1-CG2 4.11Å; V102-I134 HydrophobicContact CG2-CD1 4Å; V102-I134 HydrophobicContact CG2-CG1 4.14Å; V102-I134 HydrophobicContact CG2-CG2 4.05Å; A126-I134 HydrophobicContact CB-CB 4.3Å; A126-I134 HydrophobicContact CB-CG2 3.57Å; S131-I134 PolarHBondContact O-N 2.86Å; S131-I134 VanDerWaalsContact O-N 3.16Å; S131-I134 WeakPolarHBondContact OG-CD1 3.3Å; S131-I134 WeakPolarHBondContact OG-CG1 3.34Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 PolarHBondContact O-N 2.94Å; I134-M137 PolarHBondContact O-N 3.01Å; I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.25Å; I134-L138 WeakPolarHBondContact O-CG 3.36Å; I134-L138 PolarHBondContact O-N 3.32Å
135T98.1Very high97.1Very high0 Ų049.2 Ų49.20%023%0.233CC..Hα-helixtrans-56.2-46.4175.3-56.40000110.5L123 S131 M137 L138 I139 L170L123-T135 HydrophobicContact CD1-CG2 3.94Å; S131-T135 PolarHBondContact O-N 3.33Å; S131-T135 PolarHBondContact O-OG1 3.16Å; S131-T135 VanDerWaalsContact O-OG1 3.07Å; T135-M137 PolarHBondContact O-N 3.01Å; T135-L138 PolarHBondContact O-N 3.47Å; T135-I139 HydrophobicContact CG2-CD1 3.96Å; T135-I139 VanDerWaalsContact O-CG1 3.24Å; T135-I139 WeakPolarHBondContact O-CG1 3.04Å; T135-I139 PolarHBondContact O-N 2.97Å; T135-L170 HydrophobicContact CG2-CD2 4.07Å
136R97.6Very high97.1Very high104 Ų10451.1 Ų51.139%0.39224%0.244SC..Hα-helixtrans-60.3-43.9177.3-167.5-172.9-52.6-71.7-2.9112.4T132 E133 I134 I139 K140 L170T132-R136 WeakPolarHBondContact O-CB 3.33Å; T132-R136 PolarHBondContact O-N 3.46Å; E133-R136 WeakPolarHBondContact O-CB 3.2Å; E133-R136 PolarHBondContact O-N 3.3Å; E133-R136 IonicContact OE2-NE 3.72Å; I134-R136 VanDerWaalsContact C-N 3.3Å; I134-R136 PolarHBondContact O-N 2.94Å; R136-I139 PolarHBondContact O-N 3.21Å; R136-K140 WeakPolarHBondContact O-CG 3.28Å; R136-K140 PolarHBondContact O-N 3.29Å; R136-L170 HydrophobicContact CB-CD1 4.04Å
137M98Very high97.1Very high22 Ų2251.7 Ų51.711%0.10825%0.249CC..Hα-helixtrans-64.1-44.4179-74.3169.335.900111.9V99 V102 R103 L106 E133 I134 T135 I139 K140 A141V99-M137 HydrophobicContact CG1-SD 4.15Å; V102-M137 HydrophobicContact CB-CE 3.77Å; V102-M137 HydrophobicContact CG1-CE 3.41Å; V102-M137 VanDerWaalsContact CG1-CE 3.41Å; R103-M137 HydrophobicContact CB-CE 3.7Å; R103-M137 HydrophobicContact CB-SD 4.44Å; R103-M137 HydrophobicContact CG-CE 4.31Å; R103-M137 VanDerWaalsContact N-CE 3.29Å; L106-M137 HydrophobicContact CD1-CB 4.09Å; L106-M137 HydrophobicContact CD1-CE 3.94Å; E133-M137 HydrophobicContact CG-SD 4.22Å; E133-M137 VanDerWaalsContact O-CG 3.31Å; E133-M137 WeakPolarHBondContact O-CG 3.44Å; E133-M137 PolarHBondContact O-N 3.19Å; I134-M137 PolarHBondContact O-N 3.01Å; T135-M137 PolarHBondContact O-N 3.01Å; M137-I139 PolarHBondContact O-N 2.94Å; M137-K140 PolarHBondContact O-N 2.95Å; M137-A141 WeakPolarHBondContact O-CB 3.28Å; M137-A141 PolarHBondContact O-N 3.07Å
138L98.1Very high97Very high1 Ų153.6 Ų53.61%0.00526%0.257CS..Hα-helixtrans-66.4-36.6178.7-68.7174.9000112.3L90 V102 L106 V112 A122 L123 A126 I134 T135 A141 S143L90-L138 HydrophobicContact CD1-CD2 4.38Å; L90-L138 HydrophobicContact CD2-CD2 4.12Å; L90-L138 HydrophobicContact CG-CD2 4.48Å; V102-L138 HydrophobicContact CG1-CD2 4.44Å; L106-L138 HydrophobicContact CD2-CD2 4.34Å; V112-L138 HydrophobicContact CB-CD2 4.38Å; V112-L138 HydrophobicContact CG1-CD2 3.91Å; A122-L138 HydrophobicContact CB-CD1 4.01Å; A122-L138 HydrophobicContact CB-CD2 4.1Å; A122-L138 WeakPolarHBondContact O-CD1 3.44Å; L123-L138 HydrophobicContact CB-CD1 4.43Å; L123-L138 HydrophobicContact CD1-CB 4.07Å; L123-L138 HydrophobicContact CD1-CD1 4.36Å; A126-L138 HydrophobicContact CB-CD1 3.7Å; I134-L138 HydrophobicContact CG2-CD1 3.87Å; I134-L138 HydrophobicContact CG2-CG 4.25Å; I134-L138 WeakPolarHBondContact O-CG 3.36Å; I134-L138 PolarHBondContact O-N 3.32Å; T135-L138 PolarHBondContact O-N 3.47Å; L138-A141 CarbonylContact O-C 3.57Å; L138-A141 PolarHBondContact O-N 3.22Å; L138-S143 VanDerWaalsContact O-CB 3.23Å; L138-S143 WeakPolarHBondContact O-CB 3.49Å; L138-S143 PolarHBondContact O-N 3.07Å; L138-S143 PolarHBondContact O-OG 3.44Å
139I96.8Very high97.1Very high20 Ų2051.3 Ų51.310%0.10325%0.249CC..Hα-helixtrans-65.9-43174.3-66.4173.8000110.9L123 T135 R136 M137 A141 E142 S143 L145 L170 L171 H174L123-I139 HydrophobicContact CD1-CG1 4.22Å; T135-I139 HydrophobicContact CG2-CD1 3.96Å; T135-I139 VanDerWaalsContact O-CG1 3.24Å; T135-I139 WeakPolarHBondContact O-CG1 3.04Å; T135-I139 PolarHBondContact O-N 2.97Å; R136-I139 PolarHBondContact O-N 3.21Å; M137-I139 PolarHBondContact O-N 2.94Å; I139-A141 PolarHBondContact O-N 3.38Å; I139-E142 PolarHBondContact O-N 2.79Å; I139-E142 VanDerWaalsContact O-N 3.1Å; I139-S143 WeakPolarHBondContact CA-OG 3.49Å; I139-S143 PolarHBondContact N-OG 3.34Å; I139-L145 HydrophobicContact CB-CD2 4.4Å; I139-L145 HydrophobicContact CD1-CD2 4.23Å; I139-L145 HydrophobicContact CG1-CD2 3.68Å; I139-L145 HydrophobicContact CG2-CD2 4.19Å; I139-L170 HydrophobicContact CD1-CD2 3.31Å; I139-L171 HydrophobicContact CD1-CD2 3.78Å; I139-H174 VanDerWaalsContact CG2-CE1 3.5Å; I139-H174 WeakPolarHBondContact CG2-CE1 3.26Å
140K96.6Very high97.1Very high162 Ų16252 Ų5270%0.70425%0.253SS*.Hα-helixtrans-61.7-28.2174.6-75.8178.7177.2-1770113.1R136 M137 E142R136-K140 WeakPolarHBondContact O-CG 3.28Å; R136-K140 PolarHBondContact O-N 3.29Å; M137-K140 PolarHBondContact O-N 2.95Å; K140-E142 PolarHBondContact O-N 3.47Å
141A96.8Very high97.2Very high37 Ų3755 Ų5531%0.30626%0.263SS..THydrogen-bonded Turntrans-86.722.217600000113.4L106 V112 M137 L138 I139 S143L106-A141 HydrophobicContact CD1-CB 4.38Å; L106-A141 HydrophobicContact CD2-CB 4.02Å; V112-A141 HydrophobicContact CG1-CB 3.74Å; V112-A141 VanDerWaalsContact CG2-O 3.23Å; V112-A141 WeakPolarHBondContact CG2-O 3.48Å; M137-A141 WeakPolarHBondContact O-CB 3.28Å; M137-A141 PolarHBondContact O-N 3.07Å; L138-A141 CarbonylContact O-C 3.57Å; L138-A141 PolarHBondContact O-N 3.22Å; I139-A141 PolarHBondContact O-N 3.38Å; A141-S143 PolarHBondContact O-N 2.74Å
142E95.3Very high97.2Very high167 Ų16753.9 Ų53.978%0.7826%0.255SS*.THydrogen-bonded Turntrans61.638.9174.4-54.7-175.8170.700114.5N113 I139 K140N113-E142 PolarHBondContact ND2-O 3.48Å; I139-E142 PolarHBondContact O-N 2.79Å; I139-E142 VanDerWaalsContact O-N 3.1Å; K140-E142 PolarHBondContact O-N 3.47Å
143S96.9Very high97.3Very high9 Ų952.4 Ų52.46%0.06325%0.245CC..  trans-64.4140.3170.454.90000112.3L138 I139 A141 L145L138-S143 VanDerWaalsContact O-CB 3.23Å; L138-S143 WeakPolarHBondContact O-CB 3.49Å; L138-S143 PolarHBondContact O-N 3.07Å; L138-S143 PolarHBondContact O-OG 3.44Å; I139-S143 WeakPolarHBondContact CA-OG 3.49Å; I139-S143 PolarHBondContact N-OG 3.34Å; A141-S143 PolarHBondContact O-N 2.74Å; S143-L145 PolarHBondContact O-N 3.17Å
144R97.3Very high97.4Very high163 Ų16348.5 Ų48.562%0.61523%0.228SC*.  trans-67.997.9173.9-71.9173.5178.9172.4-0.6110.5N113 N146 A147N113-R144 WeakPolarHBondContact OD1-CG 3.29Å; N113-R144 PolarHBondContact OD1-N 3.25Å; R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 PolarHBondContact O-N 3.32Å; R144-A147 HydrophobicContact CB-CB 4.12Å; R144-A147 WeakPolarHBondContact O-CB 3.37Å; R144-A147 PolarHBondContact O-N 3.46Å
145L97.5Very high97.3Very high18 Ų1848.5 Ų48.59%0.09423%0.228CC..THydrogen-bonded Turntrans-59.8-33.4-173.5-55-173.9000114.3L123 I139 S143 P155 H174 D176 I177L123-L145 HydrophobicContact CD2-CD2 3.91Å; I139-L145 HydrophobicContact CB-CD2 4.4Å; I139-L145 HydrophobicContact CD1-CD2 4.23Å; I139-L145 HydrophobicContact CG1-CD2 3.68Å; I139-L145 HydrophobicContact CG2-CD2 4.19Å; S143-L145 PolarHBondContact O-N 3.17Å; L145-P155 WeakPolarHBondContact O-CD 3.27Å; L145-H174 HydrophobicContact CD1-CB 3.87Å; L145-D176 HydrophobicContact CD1-CB 4.36Å; L145-I177 HydrophobicContact CB-CD1 3.99Å
146N97.8Very high97.4Very high46 Ų4648.6 Ų48.625%0.24623%0.228CC..THydrogen-bonded Turntrans-105.419.9-177-55-44.2000112.9R144 Q148 D176 D178R144-N146 VanDerWaalsContact C-N 3.28Å; R144-N146 PolarHBondContact O-N 3.32Å; N146-Q148 PolarHBondContact O-N 2.95Å; N146-D176 PolarHBondContact ND2-O 2.92Å; N146-D178 PolarHBondContact OD1-N 2.91Å
147A97.7Very high97.4Very high13 Ų1343.8 Ų43.811%0.10721%0.21CC..  trans-58132.9174.300000109.5T121 H124 R144 T154 P155T121-A147 HydrophobicContact CG2-CB 4.17Å; H124-A147 PolarHBondContact CE1-O 3.41Å; H124-A147 VanDerWaalsContact CE1-O 3.25Å; H124-A147 PolarHBondContact NE2-O 2.95Å; R144-A147 HydrophobicContact CB-CB 4.12Å; R144-A147 WeakPolarHBondContact O-CB 3.37Å; R144-A147 PolarHBondContact O-N 3.46Å; A147-T154 WeakPolarHBondContact O-CA 3.29Å; A147-P155 VanDerWaalsContact O-CD 3.24Å; A147-P155 WeakPolarHBondContact O-CD 3.19Å
148Q97.9Very high97.4Very high39 Ų3942.9 Ų42.918%0.18221%0.206CC..  trans-102.7132.3176.1-69.9-175-84.300109.5N146 G152 L153 T154 K181 R182 F184N146-Q148 PolarHBondContact O-N 2.95Å; Q148-G152 PolarHBondContact NE2-O 3.45Å; Q148-L153 WeakPolarHBondContact CA-O 3.35Å; Q148-T154 HydrophobicContact CG-CG2 3.83Å; Q148-K181 HydrophobicContact CG-CG 4.29Å; Q148-R182 PolarHBondContact NE2-O 3.43Å; Q148-F184 HydrophobicContact CB-CE2 4.39Å; Q148-F184 HydrophobicContact CB-CZ 4.01Å; Q148-F184 HydrophobicContact CG-CZ 4.49Å
149N97.6Very high97.4Very high5 Ų542.9 Ų42.93%0.02721%0.205CC..  trans-75.2-176.9170.375.14.2000110.9N118 E120 I151 G152 L153 E158N118-N149 WeakPolarHBondContact O-CB 3.28Å; E120-N149 HydrophobicContact CG-CB 3.79Å; E120-N149 PolarHBondContact OE1-ND2 3.25Å; N149-I151 PolarHBondContact O-N 3.36Å; N149-I151 VanDerWaalsContact O-N 3.11Å; N149-I151 WeakPolarHBondContact OD1-CG1 3.46Å; N149-I151 PolarHBondContact OD1-N 3.41Å; N149-G152 PolarHBondContact O-N 3Å; N149-G152 PolarHBondContact OD1-N 3.32Å; N149-L153 PolarHBondContact N-O 3.36Å; N149-L153 PolarHBondContact OD1-N 3.43Å; N149-L153 PolarHBondContact OD1-O 3.29Å; N149-E158 PolarHBondContact ND2-OE1 2.88Å
150Q96.9Very high97.5Very high111 Ų11141.9 Ų41.952%0.51920%0.2SC..THydrogen-bonded Turntrans-58.7-26.8-175.1-85.7-178.6-12.700115.1R117 N118 D119R117-Q150 VanDerWaalsContact O-CD 3.3Å; R117-Q150 PolarHBondContact O-NE2 3.42Å; N118-Q150 WeakPolarHBondContact O-CG 3.39Å; N118-Q150 PolarHBondContact O-N 3.23Å; D119-Q150 HydrophobicContact CB-CG 4.21Å; D119-Q150 WeakPolarHBondContact OD2-CG 3.49Å
151I96Very high97.5Very high79 Ų7935.7 Ų35.741%0.40518%0.178SC..THydrogen-bonded Turntrans-98.56.3177.554.9167.6000112.2N149 L153 F184N149-I151 PolarHBondContact O-N 3.36Å; N149-I151 VanDerWaalsContact O-N 3.11Å; N149-I151 WeakPolarHBondContact OD1-CG1 3.46Å; N149-I151 PolarHBondContact OD1-N 3.41Å; I151-L153 HydrophobicContact CD1-CD1 3.5Å; I151-L153 VanDerWaalsContact CD1-CD1 3.5Å; I151-L153 HydrophobicContact CD1-CG 3.79Å; I151-L153 HydrophobicContact CG1-CD1 4.14Å; I151-L153 HydrophobicContact CG1-CG 3.91Å; I151-F184 PolarHBondContact O-N 3.18Å
152G96.9Very high97.5Very high0 Ų038.1 Ų38.10%018%0.179CC..  trans85.14.8176.800000114.5Q148 N149 F184Q148-G152 PolarHBondContact NE2-O 3.45Å; N149-G152 PolarHBondContact O-N 3Å; N149-G152 PolarHBondContact OD1-N 3.32Å; G152-F184 VanDerWaalsContact CA-CE2 3.41Å
153L98.1Very high97.6Very high21 Ų2134 Ų3411%0.1116%0.163CC..  trans-72.7134.9177.6-61.2-178.9000110.2H124 Q148 N149 I151 M157 E158 D183 I193H124-L153 PolarHBondContact NE2-O 2.93Å; H124-L153 VanDerWaalsContact NE2-O 3.11Å; Q148-L153 WeakPolarHBondContact CA-O 3.35Å; N149-L153 PolarHBondContact N-O 3.36Å; N149-L153 PolarHBondContact OD1-N 3.43Å; N149-L153 PolarHBondContact OD1-O 3.29Å; I151-L153 HydrophobicContact CD1-CD1 3.5Å; I151-L153 VanDerWaalsContact CD1-CD1 3.5Å; I151-L153 HydrophobicContact CD1-CG 3.79Å; I151-L153 HydrophobicContact CG1-CD1 4.14Å; I151-L153 HydrophobicContact CG1-CG 3.91Å; L153-M157 HydrophobicContact CB-CB 4.24Å; L153-M157 HydrophobicContact CB-SD 4.49Å; L153-M157 HydrophobicContact CD2-CB 3.92Å; L153-M157 HydrophobicContact CD2-CG 4.48Å; L153-M157 HydrophobicContact CD2-SD 3.93Å; L153-E158 WeakPolarHBondContact CD1-OE1 3.39Å; L153-D183 HydrophobicContact CD2-CB 3.83Å; L153-I193 HydrophobicContact CD2-CD1 3.98Å
154T98.3Very high97.6Very high2 Ų236 Ų361%0.01217%0.171CC..  trans-90.5164.6170.260.80000110.7A147 Q148 L156 M157 E158 K181A147-T154 WeakPolarHBondContact O-CA 3.29Å; Q148-T154 HydrophobicContact CG-CG2 3.83Å; T154-L156 PolarHBondContact O-N 3.23Å; T154-M157 HydrophobicContact CG2-SD 4.33Å; T154-M157 PolarHBondContact N-SD 2.96Å; T154-M157 WeakPolarHBondContact O-CA 3.24Å; T154-M157 WeakPolarHBondContact O-CB 3.42Å; T154-M157 PolarHBondContact O-N 3.25Å; T154-M157 WeakPolarHBondContact OG1-CG 3.49Å; T154-M157 PolarHBondContact OG1-N 3.28Å; T154-E158 PolarHBondContact O-N 2.64Å; T154-K181 HydrophobicContact CG2-CB 3.98Å; T154-K181 HydrophobicContact CG2-CG 3.83Å
155P98.1Very high97.6Very high0 Ų033.4 Ų33.40%016%0.161CC..Hα-helixtrans-54.9-32.5170.6-26.633.1000113.9L123 C127 L145 A147 S159L123-P155 HydrophobicContact CB-CG 4.27Å; L123-P155 HydrophobicContact CD2-CB 3.93Å; L123-P155 HydrophobicContact CD2-CG 3.8Å; L123-P155 HydrophobicContact CG-CB 3.8Å; L123-P155 HydrophobicContact CG-CG 3.93Å; C127-P155 HydrophobicContact CB-CB 4.32Å; C127-P155 VanDerWaalsContact CB-O 3.27Å; C127-P155 WeakPolarHBondContact CB-O 3.32Å; L145-P155 WeakPolarHBondContact O-CD 3.27Å; A147-P155 VanDerWaalsContact O-CD 3.24Å; A147-P155 WeakPolarHBondContact O-CD 3.19Å; P155-S159 PolarHBondContact O-N 3.36Å; P155-S159 PolarHBondContact O-OG 2.56Å
156L98.4Very high97.6Very high2 Ų236.7 Ų36.71%0.0118%0.176CC..Hα-helixtrans-63.9-48.9172.6178.163.1000110.8T154 E158 S159 V160 V168 L171 I172 I177 L179 A190T154-L156 PolarHBondContact O-N 3.23Å; L156-E158 VanDerWaalsContact C-N 3.32Å; L156-E158 PolarHBondContact O-N 3.45Å; L156-S159 PolarHBondContact O-N 2.88Å; L156-S159 PolarHBondContact O-OG 3.05Å; L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.22Å; L156-V168 HydrophobicContact CD1-CG1 4.13Å; L156-V168 HydrophobicContact CD1-CG2 4.49Å; L156-L171 HydrophobicContact CB-CD1 4.14Å; L156-L171 HydrophobicContact CD1-CB 4.33Å; L156-L171 HydrophobicContact CD1-CD1 4.21Å; L156-I172 HydrophobicContact CD1-CD1 4.42Å; L156-I172 HydrophobicContact CD1-CG1 4.13Å; L156-I177 HydrophobicContact CB-CD1 4.39Å; L156-I177 HydrophobicContact CD2-CG1 4.2Å; L156-L179 HydrophobicContact CD2-CD2 3.69Å; L156-A190 HydrophobicContact CD2-CB 4.04Å; L156-A190 HydrophobicContact CG-CB 4.11Å
157M98.3Very high97.5Very high2 Ų234.6 Ų34.61%0.0117%0.165CC..Hα-helixtrans-61.8-39.2178.1-67.1165.3168.900112.1L153 T154 V160 S161 K181 D183 D188 A190 I193L153-M157 HydrophobicContact CB-CB 4.24Å; L153-M157 HydrophobicContact CB-SD 4.49Å; L153-M157 HydrophobicContact CD2-CB 3.92Å; L153-M157 HydrophobicContact CD2-CG 4.48Å; L153-M157 HydrophobicContact CD2-SD 3.93Å; T154-M157 HydrophobicContact CG2-SD 4.33Å; T154-M157 PolarHBondContact N-SD 2.96Å; T154-M157 WeakPolarHBondContact O-CA 3.24Å; T154-M157 WeakPolarHBondContact O-CB 3.42Å; T154-M157 PolarHBondContact O-N 3.25Å; T154-M157 WeakPolarHBondContact OG1-CG 3.49Å; T154-M157 PolarHBondContact OG1-N 3.28Å; M157-V160 PolarHBondContact O-N 2.81Å; M157-S161 WeakPolarHBondContact O-CB 3.39Å; M157-S161 PolarHBondContact O-N 3.11Å; M157-S161 PolarHBondContact O-OG 3.11Å; M157-S161 VanDerWaalsContact O-OG 3.08Å; M157-K181 HydrophobicContact CE-CB 4.41Å; M157-K181 WeakPolarHBondContact CE-O 3.3Å; M157-D183 HydrophobicContact SD-CB 4.44Å; M157-D188 WeakPolarHBondContact CE-O 3.13Å; M157-A190 HydrophobicContact CG-CB 4.22Å; M157-I193 HydrophobicContact CB-CD1 3.79Å; M157-I193 HydrophobicContact CG-CD1 3.83Å; M157-I193 HydrophobicContact SD-CD1 4.41Å
158E97.8Very high97.6Very high4 Ų434 Ų342%0.01916%0.16CC..Hα-helixtrans-59.2-48.8172.4-73-68.5163.100111.4H124 C127 R128 N149 L153 T154 L156 V160 S161 Y162H124-E158 HydrophobicContact CB-CG 4.48Å; C127-E158 HydrophobicContact CB-CB 4.49Å; R128-E158 IonicContact CZ-OE1 3.84Å; R128-E158 IonicContact CZ-OE2 3.93Å; R128-E158 VanDerWaalsContact CZ-OE2 3.32Å; R128-E158 IonicContact NE-OE2 2.86Å; R128-E158 PolarHBondContact NE-OE2 3.23Å; R128-E158 IonicContact NH2-OE1 2.58Å; R128-E158 PolarHBondContact NH2-OE1 2.97Å; R128-E158 IonicContact NH2-OE2 3.18Å; R128-E158 PolarHBondContact NH2-OE2 3.21Å; N149-E158 PolarHBondContact ND2-OE1 2.88Å; L153-E158 WeakPolarHBondContact CD1-OE1 3.39Å; T154-E158 PolarHBondContact O-N 2.64Å; L156-E158 VanDerWaalsContact C-N 3.32Å; L156-E158 PolarHBondContact O-N 3.45Å; E158-V160 PolarHBondContact O-N 2.81Å; E158-S161 PolarHBondContact O-N 2.8Å; E158-Y162 WeakPolarHBondContact O-CD2 3.35Å; E158-Y162 PolarHBondContact O-N 3.48Å; E158-Y162 VanDerWaalsContact O-N 3.13Å; E158-Y162 VanDerWaalsContact OE2-CE2 3.28Å; E158-Y162 WeakPolarHBondContact OE2-CE2 3.49Å
159S98Very high97.5Very high0 Ų033.7 Ų33.70%016%0.162CC..Hα-helixtrans-61-33.2176.863.50000112.7P155 L156 N163 Q164 V168P155-S159 PolarHBondContact O-N 3.36Å; P155-S159 PolarHBondContact O-OG 2.56Å; L156-S159 PolarHBondContact O-N 2.88Å; L156-S159 PolarHBondContact O-OG 3.05Å; S159-N163 PolarHBondContact O-N 3.28Å; S159-Q164 WeakPolarHBondContact O-CB 3.42Å; S159-Q164 PolarHBondContact O-N 2.67Å; S159-V168 WeakPolarHBondContact OG-CG2 3.29Å
160V98.3Very high97.5Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-70.6-48.6174.5172.20000111.5L156 M157 E158 Y162 N163 V168 A190 I193 A194 Y199 I202 L206L156-V160 WeakPolarHBondContact O-CG2 3.36Å; L156-V160 PolarHBondContact O-N 3.22Å; M157-V160 PolarHBondContact O-N 2.81Å; E158-V160 PolarHBondContact O-N 2.81Å; V160-Y162 PolarHBondContact O-N 3.31Å; V160-N163 PolarHBondContact O-N 2.88Å; V160-V168 HydrophobicContact CG2-CG2 3.77Å; V160-A190 HydrophobicContact CG2-CB 4.24Å; V160-I193 HydrophobicContact CG1-CB 4.13Å; V160-I193 HydrophobicContact CG1-CG2 3.9Å; V160-A194 HydrophobicContact CG1-CB 3.66Å; V160-Y199 VanDerWaalsContact O-CD2 3.27Å; V160-Y199 WeakPolarHBondContact O-CD2 3.03Å; V160-Y199 WeakPolarHBondContact O-CE2 3.32Å; V160-I202 HydrophobicContact CB-CG2 4.42Å; V160-I202 HydrophobicContact CG1-CG2 4.06Å; V160-I202 HydrophobicContact CG2-CG2 3.8Å; V160-L206 HydrophobicContact CG2-CD1 4.26Å
161S97.2Very high97.5Very high32 Ų3228.8 Ų28.822%0.22414%0.139CC..Hα-helixtrans-57.9-31.3-178.7-68.90000113M157 E158 I193M157-S161 WeakPolarHBondContact O-CB 3.39Å; M157-S161 PolarHBondContact O-N 3.11Å; M157-S161 PolarHBondContact O-OG 3.11Å; M157-S161 VanDerWaalsContact O-OG 3.08Å; E158-S161 PolarHBondContact O-N 2.8Å; S161-I193 WeakPolarHBondContact OG-CG2 3.26Å
162Y97.4Very high97.5Very high88 Ų8826.5 Ų26.535%0.34513%0.128SC..THydrogen-bonded Turntrans-101.613.7179.5-70.9-95.8000113.6R128 E158 V160 Q164 M283R128-Y162 HydrophobicContact CB-CD2 4.27Å; R128-Y162 HydrophobicContact CB-CE2 4.39Å; R128-Y162 HydrophobicContact CG-CD1 3.89Å; R128-Y162 HydrophobicContact CG-CD2 3.67Å; R128-Y162 HydrophobicContact CG-CE1 3.75Å; R128-Y162 HydrophobicContact CG-CE2 3.53Å; R128-Y162 HydrophobicContact CG-CG 3.84Å; R128-Y162 PolarHBondContact NE-OH 2.93Å; E158-Y162 WeakPolarHBondContact O-CD2 3.35Å; E158-Y162 PolarHBondContact O-N 3.48Å; E158-Y162 VanDerWaalsContact O-N 3.13Å; E158-Y162 VanDerWaalsContact OE2-CE2 3.28Å; E158-Y162 WeakPolarHBondContact OE2-CE2 3.49Å; V160-Y162 PolarHBondContact O-N 3.31Å; Y162-Q164 VanDerWaalsContact C-N 3.28Å; Y162-Q164 PolarHBondContact O-N 3.47Å; Y162-M283 HydrophobicContact CE1-CE 4.34Å; Y162-M283 WeakPolarHBondContact OH-CE 3.48Å
163N97.6Very high97.4Very high80 Ų8034.8 Ų34.843%0.42816%0.164SC..THydrogen-bonded Turntrans56.235.3177.8-163.331000114.8S159 V160 R165 Y199 I202S159-N163 PolarHBondContact O-N 3.28Å; V160-N163 PolarHBondContact O-N 2.88Å; N163-R165 PolarHBondContact O-N 2.96Å; N163-R165 VanDerWaalsContact O-N 3.1Å; N163-Y199 HydrophobicContact CB-CD1 4.27Å; N163-Y199 HydrophobicContact CB-CD2 4.06Å; N163-Y199 HydrophobicContact CB-CE1 3.99Å; N163-Y199 HydrophobicContact CB-CE2 3.75Å; N163-Y199 HydrophobicContact CB-CG 4.32Å; N163-I202 VanDerWaalsContact OD1-CD1 3.29Å; N163-I202 WeakPolarHBondContact OD1-CD1 3.34Å
164Q97.6Very high97.2Very high50 Ų5037.2 Ų37.223%0.23417%0.174CC..  trans-88.671.9-176.5-55.7-63.9-2.600111.2C127 R128 G130 S159 Y162 E166 A167 V168C127-Q164 WeakPolarHBondContact O-CG 3.32Å; R128-Q164 PolarHBondContact O-NE2 3.44Å; R128-Q164 VanDerWaalsContact O-NE2 3.12Å; G130-Q164 VanDerWaalsContact CA-OE1 3.28Å; S159-Q164 WeakPolarHBondContact O-CB 3.42Å; S159-Q164 PolarHBondContact O-N 2.67Å; Y162-Q164 VanDerWaalsContact C-N 3.28Å; Y162-Q164 PolarHBondContact O-N 3.47Å; Q164-E166 VanDerWaalsContact C-N 3.3Å; Q164-E166 PolarHBondContact O-N 3.31Å; Q164-A167 HydrophobicContact CB-CB 4Å; Q164-A167 PolarHBondContact O-N 3Å; Q164-A167 VanDerWaalsContact O-N 3.08Å; Q164-V168 WeakPolarHBondContact O-CG2 3.33Å; Q164-V168 PolarHBondContact O-N 3.02Å
165R97.1Very high96.8Very high109 Ų10947.1 Ų47.141%0.41122%0.217SC..Hα-helixtrans-52.6-42.8-171.5-170.6-17575.5165.93.4113.8N163 V168 S169 I202 I205N163-R165 PolarHBondContact O-N 2.96Å; N163-R165 VanDerWaalsContact O-N 3.1Å; R165-V168 PolarHBondContact O-N 3.32Å; R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.94Å; R165-S169 PolarHBondContact O-OG 2.81Å; R165-I202 HydrophobicContact CB-CG1 4.48Å; R165-I205 HydrophobicContact CG-CD1 3.47Å; R165-I205 VanDerWaalsContact CG-CD1 3.47Å
166E96.5Very high96.6Very high88 Ų8853 Ų5341%0.41125%0.249SC..Hα-helixtrans-72.3-35.3-177.6-69.762.6-141.900111.5T132 Q164 S169 L170T132-E166 HydrophobicContact CG2-CB 3.34Å; T132-E166 HydrophobicContact CG2-CG 4.34Å; Q164-E166 VanDerWaalsContact C-N 3.3Å; Q164-E166 PolarHBondContact O-N 3.31Å; E166-S169 PolarHBondContact O-N 3.29Å; E166-L170 VanDerWaalsContact O-CB 3.3Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å
167A96.8Very high96.5Very high1 Ų153.9 Ų53.91%0.00825%0.254CS..Hα-helixtrans-67.2-43.3173.200000111.2Q164 S169 L170 L171Q164-A167 HydrophobicContact CB-CB 4Å; Q164-A167 PolarHBondContact O-N 3Å; Q164-A167 VanDerWaalsContact O-N 3.08Å; A167-S169 PolarHBondContact O-N 3.42Å; A167-L170 PolarHBondContact O-N 3.21Å; A167-L171 WeakPolarHBondContact O-CG 3.37Å; A167-L171 PolarHBondContact O-N 2.97Å
168V98.1Very high96.4Very high0 Ų056.4 Ų56.40%027%0.267CS..Hα-helixtrans-55.3-51.5171.8171.50000110.3L156 S159 V160 Q164 R165 L170 L171 I172 I202 I205L156-V168 HydrophobicContact CD1-CG1 4.13Å; L156-V168 HydrophobicContact CD1-CG2 4.49Å; S159-V168 WeakPolarHBondContact OG-CG2 3.29Å; V160-V168 HydrophobicContact CG2-CG2 3.77Å; Q164-V168 WeakPolarHBondContact O-CG2 3.33Å; Q164-V168 PolarHBondContact O-N 3.02Å; R165-V168 PolarHBondContact O-N 3.32Å; V168-L170 PolarHBondContact O-N 3.48Å; V168-L171 PolarHBondContact O-N 3.38Å; V168-I172 HydrophobicContact CG1-CD1 3.46Å; V168-I172 VanDerWaalsContact CG1-CD1 3.46Å; V168-I172 HydrophobicContact CG1-CG1 4.35Å; V168-I172 WeakPolarHBondContact O-CB 3.4Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.29Å; V168-I172 PolarHBondContact O-N 3.18Å; V168-I202 HydrophobicContact CG1-CG2 4.39Å; V168-I202 HydrophobicContact CG2-CD1 4.36Å; V168-I202 HydrophobicContact CG2-CG2 4.49Å; V168-I205 HydrophobicContact CG1-CG2 4.13Å
169S97Very high96.2Very high34 Ų3456.9 Ų56.924%0.23827%0.27CS..Hα-helixtrans-62.9-31.7-179.3-59.90000112.9R165 E166 A167 K173R165-S169 WeakPolarHBondContact O-CB 3.23Å; R165-S169 PolarHBondContact O-N 2.94Å; R165-S169 PolarHBondContact O-OG 2.81Å; E166-S169 PolarHBondContact O-N 3.29Å; A167-S169 PolarHBondContact O-N 3.42Å; S169-K173 WeakPolarHBondContact O-CG 3.38Å
170L96.8Very high96Very high12 Ų1261.8 Ų61.86%0.06329%0.289CS..Hα-helixtrans-73.2-48.8177.4-168.5155.2000110.7T135 R136 I139 E166 A167 V168 I172 K173 H174T135-L170 HydrophobicContact CG2-CD2 4.07Å; R136-L170 HydrophobicContact CB-CD1 4.04Å; I139-L170 HydrophobicContact CD1-CD2 3.31Å; E166-L170 VanDerWaalsContact O-CB 3.3Å; E166-L170 WeakPolarHBondContact O-CB 3.38Å; E166-L170 PolarHBondContact O-N 3.44Å; A167-L170 PolarHBondContact O-N 3.21Å; V168-L170 PolarHBondContact O-N 3.48Å; L170-I172 PolarHBondContact O-N 2.9Å; L170-K173 PolarHBondContact O-N 3.06Å; L170-H174 PolarHBondContact O-CD2 3.43Å; L170-H174 VanDerWaalsContact O-CD2 3.3Å
171L97.1Very high95.8Very high0 Ų065 Ų650%030%0.303CS..Hα-helixtrans-60.1-45.2178.9-74.4169.8000112.3L123 I139 L156 A167 V168 K173 H174 I177L123-L171 HydrophobicContact CD2-CD2 4.5Å; I139-L171 HydrophobicContact CD1-CD2 3.78Å; L156-L171 HydrophobicContact CB-CD1 4.14Å; L156-L171 HydrophobicContact CD1-CB 4.33Å; L156-L171 HydrophobicContact CD1-CD1 4.21Å; A167-L171 WeakPolarHBondContact O-CG 3.37Å; A167-L171 PolarHBondContact O-N 2.97Å; V168-L171 PolarHBondContact O-N 3.38Å; L171-K173 PolarHBondContact O-N 3.38Å; L171-K173 VanDerWaalsContact O-N 3.16Å; L171-H174 WeakPolarHBondContact O-CB 3.36Å; L171-H174 PolarHBondContact O-N 3.45Å; L171-I177 HydrophobicContact CB-CD1 4.23Å; L171-I177 HydrophobicContact CD2-CD1 4.32Å
172I96Very high95.7Very high32 Ų3266.7 Ų66.716%0.16430%0.304CS..Hα-helixtrans-61.2-25.8-177.1-74.3173.4000113.1L156 V168 L170 H174 L179 I205 L206 A209L156-I172 HydrophobicContact CD1-CD1 4.42Å; L156-I172 HydrophobicContact CD1-CG1 4.13Å; V168-I172 HydrophobicContact CG1-CD1 3.46Å; V168-I172 VanDerWaalsContact CG1-CD1 3.46Å; V168-I172 HydrophobicContact CG1-CG1 4.35Å; V168-I172 WeakPolarHBondContact O-CB 3.4Å; V168-I172 VanDerWaalsContact O-CG1 3.23Å; V168-I172 WeakPolarHBondContact O-CG1 3.29Å; V168-I172 PolarHBondContact O-N 3.18Å; L170-I172 PolarHBondContact O-N 2.9Å; I172-H174 PolarHBondContact O-N 3.11Å; I172-L179 HydrophobicContact CG1-CD2 3.99Å; I172-I205 HydrophobicContact CD1-CG2 3.64Å; I172-L206 HydrophobicContact CD1-CD2 3.69Å; I172-L206 HydrophobicContact CD1-CG 4.44Å; I172-A209 HydrophobicContact CD1-CB 4.3Å; I172-A209 HydrophobicContact CG2-CB 3.29Å
173K94.3Very high95.5Very high174 Ų17463 Ų6376%0.75729%0.291SS*.THydrogen-bonded Turntrans-69.7-18.4177.7-74171.8-178-176.90113.1S169 L170 L171S169-K173 WeakPolarHBondContact O-CG 3.38Å; L170-K173 PolarHBondContact O-N 3.06Å; L171-K173 PolarHBondContact O-N 3.38Å; L171-K173 VanDerWaalsContact O-N 3.16Å
174H94.4Very high95.3Very high71 Ų7164.9 Ų64.933%0.32930%0.295SS..SBendtrans-85.9128.5179.3-69.6-85.6000110.5I139 L145 L170 L171 I172 D176 I177I139-H174 VanDerWaalsContact CG2-CE1 3.5Å; I139-H174 WeakPolarHBondContact CG2-CE1 3.26Å; L145-H174 HydrophobicContact CD1-CB 3.87Å; L170-H174 PolarHBondContact O-CD2 3.43Å; L170-H174 VanDerWaalsContact O-CD2 3.3Å; L171-H174 WeakPolarHBondContact O-CB 3.36Å; L171-H174 PolarHBondContact O-N 3.45Å; I172-H174 PolarHBondContact O-N 3.11Å; H174-D176 PolarHBondContact O-N 2.96Å; H174-I177 WeakPolarHBondContact O-CB 3.47Å; H174-I177 WeakPolarHBondContact O-CG2 3.28Å; H174-I177 PolarHBondContact O-N 2.88Å
175K90.2Very high95Very high210 Ų21066.5 Ų66.591%0.91331%0.311SS*.THydrogen-bonded Turntrans-62.7-26.5-176-67.5-177.9178.5178.60113.8I177K175-I177 PolarHBondContact O-N 3.14Å
176D94.1Very high94.7Very high125 Ų12563.5 Ų63.567%0.66831%0.305SS*.THydrogen-bonded Turntrans-81.3-3.8-176.5-53.1-42.8000112.9L145 N146 H174 D178L145-D176 HydrophobicContact CD1-CB 4.36Å; N146-D176 PolarHBondContact ND2-O 2.92Å; H174-D176 PolarHBondContact O-N 2.96Å; D176-D178 PolarHBondContact O-N 2.95Å
177I96.9Very high94.5Very high20 Ų2059.3 Ų59.310%0.10329%0.286CS..  trans-71.6127.3178.2-159.271.6000110.6L145 L156 L171 H174 K175 L179L145-I177 HydrophobicContact CB-CD1 3.99Å; L156-I177 HydrophobicContact CB-CD1 4.39Å; L156-I177 HydrophobicContact CD2-CG1 4.2Å; L171-I177 HydrophobicContact CB-CD1 4.23Å; L171-I177 HydrophobicContact CD2-CD1 4.32Å; H174-I177 WeakPolarHBondContact O-CB 3.47Å; H174-I177 WeakPolarHBondContact O-CG2 3.28Å; H174-I177 PolarHBondContact O-N 2.88Å; K175-I177 PolarHBondContact O-N 3.14Å; I177-L179 HydrophobicContact CG2-CD2 4.14Å; I177-L179 PolarHBondContact O-N 2.96Å
178D95.3Very high94.3Very high54 Ų5459.7 Ų59.729%0.28929%0.287SS..  trans-94.697.8176.4-175.7-2.2000109.8N146 D176 Y180 K181N146-D178 PolarHBondContact OD1-N 2.91Å; D176-D178 PolarHBondContact O-N 2.95Å; D178-Y180 PolarHBondContact O-N 3.26Å; D178-Y180 PolarHBondContact OD1-N 3.05Å; D178-K181 HydrophobicContact CB-CB 4.49Å; D178-K181 HydrophobicContact CB-CD 4.35Å; D178-K181 PolarHBondContact OD1-N 3.08Å; D178-K181 WeakPolarHBondContact OD2-CD 3.37Å; D178-K181 IonicContact OD2-NZ 2.89Å
179L94.2Very high94.2Very high15 Ų1559.7 Ų59.78%0.07929%0.287CS..THydrogen-bonded Turntrans-64.4-23.8178.2-59.3180000112.7L156 I172 I177 L206 A209 G210 W212L156-L179 HydrophobicContact CD2-CD2 3.69Å; I172-L179 HydrophobicContact CG1-CD2 3.99Å; I177-L179 HydrophobicContact CG2-CD2 4.14Å; I177-L179 PolarHBondContact O-N 2.96Å; L179-L206 HydrophobicContact CD2-CD2 4.45Å; L179-A209 HydrophobicContact CD1-CB 4.03Å; L179-G210 VanDerWaalsContact CD1-CA 3.48Å; L179-W212 HydrophobicContact CB-CH2 4.37Å; L179-W212 HydrophobicContact CB-CZ2 4.17Å; L179-W212 WeakPolarHBondContact O-CH2 3.26Å
180Y92.9Very high94.2Very high103 Ų10358.1 Ų58.140%0.40428%0.276SS..THydrogen-bonded Turntrans-992.6-170.4-50.4-73.1000112.9D178 N211 W212D178-Y180 PolarHBondContact O-N 3.26Å; D178-Y180 PolarHBondContact OD1-N 3.05Å; Y180-N211 WeakPolarHBondContact CE1-O 3.41Å; Y180-N211 WeakPolarHBondContact OH-CA 3.18Å; Y180-N211 PolarHBondContact OH-N 3.05Å; Y180-N211 PolarHBondContact OH-O 3.35Å; Y180-W212 AromaticContact CD1-CE3 3.97Å; Y180-W212 HydrophobicContact CD1-CE3 3.97Å; Y180-W212 HydrophobicContact CD1-CH2 4.49Å; Y180-W212 AromaticContact CD1-CZ3 3.89Å; Y180-W212 HydrophobicContact CD1-CZ3 3.89Å; Y180-W212 HydrophobicContact CE1-CD2 4.23Å; Y180-W212 AromaticContact CE1-CE3 3.95Å; Y180-W212 HydrophobicContact CE1-CE3 3.95Å; Y180-W212 HydrophobicContact CE1-CZ3 4.27Å
181K94.5Very high94.2Very high68 Ų6857.5 Ų57.530%0.29627%0.273SS..  trans-54.5146.2171.4-144.878.2179.7-179.30109.8Q148 T154 M157 D178 T189Q148-K181 HydrophobicContact CG-CG 4.29Å; T154-K181 HydrophobicContact CG2-CB 3.98Å; T154-K181 HydrophobicContact CG2-CG 3.83Å; M157-K181 HydrophobicContact CE-CB 4.41Å; M157-K181 WeakPolarHBondContact CE-O 3.3Å; D178-K181 HydrophobicContact CB-CB 4.49Å; D178-K181 HydrophobicContact CB-CD 4.35Å; D178-K181 PolarHBondContact OD1-N 3.08Å; D178-K181 WeakPolarHBondContact OD2-CD 3.37Å; D178-K181 IonicContact OD2-NZ 2.89Å; K181-T189 WeakPolarHBondContact O-CA 3.23Å
182R94.2Very high94Very high66 Ų6657.5 Ų57.525%0.24927%0.273CS..  trans-120.3138.2-176.5-62.5-178.2-172.8-162.5-4.4110.7Q148 G187 D188 T189 Y216 Y218Q148-R182 PolarHBondContact NE2-O 3.43Å; R182-G187 WeakPolarHBondContact CD-O 3.18Å; R182-G187 WeakPolarHBondContact CG-O 3.43Å; R182-D188 WeakPolarHBondContact CA-O 3.38Å; R182-T189 HydrophobicContact CG-CG2 4.04Å; R182-Y216 PolarHBondContact NH2-O 3.12Å; R182-Y218 PolarHBondContact NH1-O 3.47Å; R182-Y218 PolarHBondContact NH2-O 3.49Å
183D94.4Very high94Very high12 Ų1256.8 Ų56.86%0.06427%0.269CS..  trans-66.8159.517088.7-70.3000110.8L153 M157 C185 T186 G187 D188L153-D183 HydrophobicContact CD2-CB 3.83Å; M157-D183 HydrophobicContact SD-CB 4.44Å; D183-C185 WeakPolarHBondContact OD2-CA 3.47Å; D183-C185 VanDerWaalsContact OD2-CB 3.25Å; D183-C185 WeakPolarHBondContact OD2-CB 3.31Å; D183-C185 PolarHBondContact OD2-N 2.69Å; D183-T186 PolarHBondContact OD1-N 3.28Å; D183-T186 PolarHBondContact OD1-OG1 3.01Å; D183-T186 PolarHBondContact OD2-N 3.4Å; D183-T186 PolarHBondContact OD2-OG1 2.97Å; D183-G187 VanDerWaalsContact O-CA 3.29Å; D183-G187 WeakPolarHBondContact O-CA 3.32Å; D183-G187 PolarHBondContact O-N 3.12Å; D183-G187 VanDerWaalsContact O-N 3.16Å; D183-G187 PolarHBondContact OD1-N 2.76Å; D183-D188 PolarHBondContact N-O 3.24Å; D183-D188 WeakPolarHBondContact OD1-CA 2.96Å; D183-D188 VanDerWaalsContact OD1-CB 3.3Å; D183-D188 WeakPolarHBondContact OD1-CB 3.35Å; D183-D188 PolarHBondContact OD1-N 3.13Å
184F93.6Very high94.2Very high118 Ų11848.5 Ų48.552%0.51823%0.233SC..THydrogen-bonded Turntrans-84.4-26.9-176.9-57-32.2000112.4Q148 I151 G152Q148-F184 HydrophobicContact CB-CE2 4.39Å; Q148-F184 HydrophobicContact CB-CZ 4.01Å; Q148-F184 HydrophobicContact CG-CZ 4.49Å; I151-F184 PolarHBondContact O-N 3.18Å; G152-F184 VanDerWaalsContact CA-CE2 3.41Å
185C91.1Very high94.2Very high85 Ų8545.1 Ų45.157%0.57422%0.218SC*.THydrogen-bonded Turntrans-72.8-48.5-176.5-61.10000111.4D183D183-C185 WeakPolarHBondContact OD2-CA 3.47Å; D183-C185 VanDerWaalsContact OD2-CB 3.25Å; D183-C185 WeakPolarHBondContact OD2-CB 3.31Å; D183-C185 PolarHBondContact OD2-N 2.69Å
186T90.4Very high94.4Very high46 Ų4636 Ų3628%0.28218%0.178SC..THydrogen-bonded Turntrans-119.2-15.5-172.855.80000114.4D183 D188 N219 N220D183-T186 PolarHBondContact OD1-N 3.28Å; D183-T186 PolarHBondContact OD1-OG1 3.01Å; D183-T186 PolarHBondContact OD2-N 3.4Å; D183-T186 PolarHBondContact OD2-OG1 2.97Å; T186-D188 WeakPolarHBondContact OG1-CB 3.47Å; T186-D188 PolarHBondContact OG1-OD2 3.41Å; T186-N219 WeakPolarHBondContact O-CB 3.4Å; T186-N220 WeakPolarHBondContact O-CB 3.48Å; T186-N220 PolarHBondContact O-N 3.49Å
187G92Very high94.5Very high0 Ų034.1 Ų34.10%016%0.164CC..  trans75.214-173.300000113.1R182 D183 N219 N220R182-G187 WeakPolarHBondContact CD-O 3.18Å; R182-G187 WeakPolarHBondContact CG-O 3.43Å; D183-G187 VanDerWaalsContact O-CA 3.29Å; D183-G187 WeakPolarHBondContact O-CA 3.32Å; D183-G187 PolarHBondContact O-N 3.12Å; D183-G187 VanDerWaalsContact O-N 3.16Å; D183-G187 PolarHBondContact OD1-N 2.76Å; G187-N219 WeakPolarHBondContact O-CA 3.38Å; G187-N220 PolarHBondContact N-ND2 3.09Å
188D93.9Very high94.5Very high8 Ų835.9 Ų35.94%0.04317%0.174CC..  trans-70.1140.4176.6-78.4-5.4000110.8M157 R182 D183 T186 H192 I193 K196 N219M157-D188 WeakPolarHBondContact CE-O 3.13Å; R182-D188 WeakPolarHBondContact CA-O 3.38Å; D183-D188 PolarHBondContact N-O 3.24Å; D183-D188 WeakPolarHBondContact OD1-CA 2.96Å; D183-D188 VanDerWaalsContact OD1-CB 3.3Å; D183-D188 WeakPolarHBondContact OD1-CB 3.35Å; D183-D188 PolarHBondContact OD1-N 3.13Å; T186-D188 WeakPolarHBondContact OG1-CB 3.47Å; T186-D188 PolarHBondContact OG1-OD2 3.41Å; D188-H192 HydrophobicContact CB-CB 3.64Å; D188-H192 IonicContact OD1-CD2 3.37Å; D188-H192 IonicContact OD1-CG 3.82Å; D188-I193 HydrophobicContact CB-CG1 4.23Å; D188-K196 IonicContact OD1-NZ 3.89Å; D188-K196 PolarHBondContact OD1-NZ 3.26Å; D188-K196 WeakPolarHBondContact OD2-CD 3.36Å; D188-K196 VanDerWaalsContact OD2-CE 3.23Å; D188-K196 WeakPolarHBondContact OD2-CE 3.45Å; D188-K196 IonicContact OD2-NZ 3.28Å; D188-K196 PolarHBondContact OD2-NZ 3.36Å; D188-N219 WeakPolarHBondContact OD1-CB 3.2Å; D188-N219 PolarHBondContact OD1-ND2 3.32Å
189T95.6Very high94.6Very high0 Ų036.1 Ų36.10%017%0.171CC..  trans-87.9171.2164.965.80000110.8K181 R182 L191 H192 I193 W212 N217K181-T189 WeakPolarHBondContact O-CA 3.23Å; R182-T189 HydrophobicContact CG-CG2 4.04Å; T189-L191 PolarHBondContact O-N 3.17Å; T189-L191 VanDerWaalsContact O-N 3.09Å; T189-L191 PolarHBondContact OG1-N 3.26Å; T189-H192 PolarHBondContact N-ND1 3.08Å; T189-H192 WeakPolarHBondContact O-CB 3.32Å; T189-H192 PolarHBondContact O-N 2.91Å; T189-H192 PolarHBondContact OG1-ND1 2.98Å; T189-I193 PolarHBondContact O-N 2.91Å; T189-I193 VanDerWaalsContact O-N 3.16Å; T189-W212 HydrophobicContact CG2-CZ3 4.04Å; T189-W212 WeakPolarHBondContact OG1-CZ3 3.34Å; T189-N217 VanDerWaalsContact CG2-OD1 3.26Å; T189-N217 WeakPolarHBondContact CG2-OD1 3.14Å
190A96.7Very high94.6Very high1 Ų136.9 Ų36.91%0.00818%0.175CC..Hα-helixtrans-52.3-34173.300000112.8L156 M157 V160 A194 L206L156-A190 HydrophobicContact CD2-CB 4.04Å; L156-A190 HydrophobicContact CG-CB 4.11Å; M157-A190 HydrophobicContact CG-CB 4.22Å; V160-A190 HydrophobicContact CG2-CB 4.24Å; A190-A194 WeakPolarHBondContact O-CB 3.41Å; A190-A194 PolarHBondContact O-N 3.14Å; A190-L206 HydrophobicContact CB-CD1 4.26Å; A190-L206 HydrophobicContact CB-CD2 4.3Å
191L96Very high94.8Very high0 Ų037.6 Ų37.60%018%0.181CC..Hα-helixtrans-69-40.6176.6-177.561.1000112.8T189 I193 A194 V195 V203 L206 L207 W212 F225T189-L191 PolarHBondContact O-N 3.17Å; T189-L191 VanDerWaalsContact O-N 3.09Å; T189-L191 PolarHBondContact OG1-N 3.26Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.38Å; L191-A194 PolarHBondContact O-N 3.15Å; L191-V195 HydrophobicContact CD1-CG2 4.31Å; L191-V195 VanDerWaalsContact O-CG2 3.28Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.31Å; L191-V203 HydrophobicContact CD1-CB 4.42Å; L191-V203 HydrophobicContact CD1-CG1 3.96Å; L191-V203 HydrophobicContact CD1-CG2 4.37Å; L191-L206 HydrophobicContact CB-CD1 4.41Å; L191-L206 HydrophobicContact CD1-CB 4.2Å; L191-L206 HydrophobicContact CD1-CD1 4.4Å; L191-L207 HydrophobicContact CD1-CD2 4.44Å; L191-L207 HydrophobicContact CD1-CG 4.48Å; L191-L207 HydrophobicContact CD2-CD2 3.97Å; L191-W212 HydrophobicContact CB-CD2 4.17Å; L191-W212 HydrophobicContact CB-CE3 4.14Å; L191-W212 HydrophobicContact CB-CH2 3.52Å; L191-W212 HydrophobicContact CB-CZ2 3.6Å; L191-W212 HydrophobicContact CB-CZ3 3.84Å; L191-W212 HydrophobicContact CD2-CB 4.05Å; L191-W212 HydrophobicContact CD2-CD2 3.45Å; L191-W212 VanDerWaalsContact CD2-CD2 3.45Å; L191-W212 HydrophobicContact CD2-CE3 3.86Å; L191-W212 HydrophobicContact CD2-CG 3.59Å; L191-W212 HydrophobicContact CD2-CZ2 4.32Å; L191-W212 HydrophobicContact CD2-CZ3 4.42Å; L191-W212 HydrophobicContact CG-CD2 4.44Å; L191-F225 HydrophobicContact CD2-CD1 3.67Å; L191-F225 HydrophobicContact CD2-CD2 4.35Å; L191-F225 HydrophobicContact CD2-CE1 3.82Å; L191-F225 HydrophobicContact CD2-CE2 4.47Å; L191-F225 HydrophobicContact CD2-CG 3.93Å; L191-F225 HydrophobicContact CD2-CZ 4.2Å; L191-F225 HydrophobicContact CG-CB 4.4Å; L191-F225 HydrophobicContact CG-CD1 4.35Å; L191-F225 HydrophobicContact CG-CG 4.32Å
192H94.5Very high94.9Very high0 Ų034.3 Ų34.30%017%0.167CC..Hα-helixtrans-59.5-47.4175.1-69.385.2000110.1D188 T189 A194 V195 K196 N217 F225 D228D188-H192 HydrophobicContact CB-CB 3.64Å; D188-H192 IonicContact OD1-CD2 3.37Å; D188-H192 IonicContact OD1-CG 3.82Å; T189-H192 PolarHBondContact N-ND1 3.08Å; T189-H192 WeakPolarHBondContact O-CB 3.32Å; T189-H192 PolarHBondContact O-N 2.91Å; T189-H192 PolarHBondContact OG1-ND1 2.98Å; H192-A194 PolarHBondContact O-N 2.85Å; H192-V195 PolarHBondContact O-N 2.68Å; H192-K196 VanDerWaalsContact O-CG 3.29Å; H192-K196 WeakPolarHBondContact O-CG 2.9Å; H192-K196 PolarHBondContact O-N 3.42Å; H192-N217 PolarHBondContact CE1-OD1 3.28Å; H192-F225 PolarHBondContact NE2-N 3.15Å; H192-D228 IonicContact CD2-OD2 3.16Å; H192-D228 PolarHBondContact CD2-OD2 3.29Å; H192-D228 IonicContact CG-OD2 2.68Å
193I95.8Very high95Very high16 Ų1631.2 Ų31.28%0.08216%0.155CC..Hα-helixtrans-57.9-48.4178-59.2172.5000111L153 M157 V160 S161 D188 T189 L191 V195 K196 K197L153-I193 HydrophobicContact CD2-CD1 3.98Å; M157-I193 HydrophobicContact CB-CD1 3.79Å; M157-I193 HydrophobicContact CG-CD1 3.83Å; M157-I193 HydrophobicContact SD-CD1 4.41Å; V160-I193 HydrophobicContact CG1-CB 4.13Å; V160-I193 HydrophobicContact CG1-CG2 3.9Å; S161-I193 WeakPolarHBondContact OG-CG2 3.26Å; D188-I193 HydrophobicContact CB-CG1 4.23Å; T189-I193 PolarHBondContact O-N 2.91Å; T189-I193 VanDerWaalsContact O-N 3.16Å; L191-I193 VanDerWaalsContact C-N 3.33Å; L191-I193 PolarHBondContact O-N 3.38Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 3.21Å; I193-K196 PolarHBondContact O-N 2.99Å; I193-K197 WeakPolarHBondContact O-CB 3.5Å; I193-K197 PolarHBondContact O-N 2.91Å
194A97.2Very high95Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-59.9-39179.200000112.5V160 A190 L191 H192 N198 Y199 I202 V203 L206V160-A194 HydrophobicContact CG1-CB 3.66Å; A190-A194 WeakPolarHBondContact O-CB 3.41Å; A190-A194 PolarHBondContact O-N 3.14Å; L191-A194 PolarHBondContact O-N 3.15Å; H192-A194 PolarHBondContact O-N 2.85Å; A194-N198 PolarHBondContact O-N 3.48Å; A194-Y199 PolarHBondContact O-N 2.87Å; A194-I202 HydrophobicContact CB-CG2 3.87Å; A194-V203 HydrophobicContact CB-CG2 3.66Å; A194-L206 HydrophobicContact CB-CD1 3.98Å
195V95.4Very high95.1Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-68.5-49.3177168.40000111.5L191 H192 I193 K197 N198 V203 F225 D228 V229 L237 F241L191-V195 HydrophobicContact CD1-CG2 4.31Å; L191-V195 VanDerWaalsContact O-CG2 3.28Å; L191-V195 WeakPolarHBondContact O-CG2 3.46Å; L191-V195 PolarHBondContact O-N 3.31Å; H192-V195 PolarHBondContact O-N 2.68Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 3.21Å; V195-K197 PolarHBondContact O-N 3.49Å; V195-N198 PolarHBondContact O-N 2.98Å; V195-V203 HydrophobicContact CG2-CG2 3.96Å; V195-F225 HydrophobicContact CG2-CB 4.32Å; V195-D228 HydrophobicContact CG1-CB 3.68Å; V195-V229 HydrophobicContact CG1-CB 4.38Å; V195-V229 HydrophobicContact CG1-CG2 3.48Å; V195-V229 VanDerWaalsContact CG1-CG2 3.48Å; V195-L237 HydrophobicContact CB-CD1 4.27Å; V195-L237 HydrophobicContact CG1-CD1 4.09Å; V195-L237 HydrophobicContact CG2-CD1 4.23Å; V195-F241 HydrophobicContact CG2-CE2 4.31Å; V195-F241 HydrophobicContact CG2-CZ 3.68Å
196K94.1Very high95.4Very high20 Ų2024.9 Ų24.99%0.08712%0.12CC..Hα-helixtrans-57.1-41.9179.3-68.7-178.4-177.9178.60110.9D188 H192 I193 N198 D228 Y232 R234D188-K196 IonicContact OD1-NZ 3.89Å; D188-K196 PolarHBondContact OD1-NZ 3.26Å; D188-K196 WeakPolarHBondContact OD2-CD 3.36Å; D188-K196 VanDerWaalsContact OD2-CE 3.23Å; D188-K196 WeakPolarHBondContact OD2-CE 3.45Å; D188-K196 IonicContact OD2-NZ 3.28Å; D188-K196 PolarHBondContact OD2-NZ 3.36Å; H192-K196 VanDerWaalsContact O-CG 3.29Å; H192-K196 WeakPolarHBondContact O-CG 2.9Å; H192-K196 PolarHBondContact O-N 3.42Å; I193-K196 PolarHBondContact O-N 2.99Å; K196-N198 VanDerWaalsContact C-N 3.34Å; K196-D228 WeakPolarHBondContact CE-OD1 3.46Å; K196-D228 WeakPolarHBondContact CE-OD2 3.42Å; K196-D228 HydrophobicContact CG-CB 4.16Å; K196-D228 IonicContact NZ-OD1 2.91Å; K196-Y232 HydrophobicContact CB-CD2 4.47Å; K196-Y232 HydrophobicContact CB-CE2 4.1Å; K196-Y232 HydrophobicContact CD-CE2 4.09Å; K196-Y232 HydrophobicContact CG-CD2 4.12Å; K196-Y232 HydrophobicContact CG-CE2 3.59Å; K196-R234 PolarHBondContact O-NH2 2.89Å
197K95.8Very high95.4Very high84 Ų8423.1 Ų23.137%0.36511%0.108SC..THydrogen-bonded Turntrans-82-4.3177.7-68.2-69.2176.9-1710115.2I193 V195 Y199 E287I193-K197 WeakPolarHBondContact O-CB 3.5Å; I193-K197 PolarHBondContact O-N 2.91Å; V195-K197 PolarHBondContact O-N 3.49Å; K197-Y199 HydrophobicContact CB-CD1 4.41Å; K197-Y199 HydrophobicContact CB-CD2 3.75Å; K197-Y199 HydrophobicContact CB-CE1 4.17Å; K197-Y199 HydrophobicContact CB-CE2 3.47Å; K197-Y199 VanDerWaalsContact CB-CE2 3.47Å; K197-Y199 HydrophobicContact CB-CG 4.22Å; K197-Y199 HydrophobicContact CG-CE2 4.07Å; K197-Y199 PolarHBondContact O-N 3.16Å; K197-E287 IonicContact NZ-OE2 2.91Å; K197-E287 PolarHBondContact NZ-OE2 2.73Å
198N96.5Very high95.4Very high57 Ų5731 Ų3131%0.30514%0.138SC..THydrogen-bonded Turntrans60.536.7179.3-158.339.8000115A194 V195 K196 I200 R234A194-N198 PolarHBondContact O-N 3.48Å; V195-N198 PolarHBondContact O-N 2.98Å; K196-N198 VanDerWaalsContact C-N 3.34Å; N198-I200 PolarHBondContact O-N 3.38Å; N198-I200 VanDerWaalsContact O-N 3.15Å; N198-R234 WeakPolarHBondContact OD1-CD 3.28Å
199Y97.2Very high95.4Very high59 Ų5932.8 Ų32.823%0.23115%0.154CC..  trans-87.977.6177.5-59.4-31.7000110.9V160 N163 A194 K197 H201 I202 V203V160-Y199 VanDerWaalsContact O-CD2 3.27Å; V160-Y199 WeakPolarHBondContact O-CD2 3.03Å; V160-Y199 WeakPolarHBondContact O-CE2 3.32Å; N163-Y199 HydrophobicContact CB-CD1 4.27Å; N163-Y199 HydrophobicContact CB-CD2 4.06Å; N163-Y199 HydrophobicContact CB-CE1 3.99Å; N163-Y199 HydrophobicContact CB-CE2 3.75Å; N163-Y199 HydrophobicContact CB-CG 4.32Å; A194-Y199 PolarHBondContact O-N 2.87Å; K197-Y199 HydrophobicContact CB-CD1 4.41Å; K197-Y199 HydrophobicContact CB-CD2 3.75Å; K197-Y199 HydrophobicContact CB-CE1 4.17Å; K197-Y199 HydrophobicContact CB-CE2 3.47Å; K197-Y199 VanDerWaalsContact CB-CE2 3.47Å; K197-Y199 HydrophobicContact CB-CG 4.22Å; K197-Y199 HydrophobicContact CG-CE2 4.07Å; K197-Y199 PolarHBondContact O-N 3.16Å; Y199-H201 VanDerWaalsContact C-N 3.34Å; Y199-H201 PolarHBondContact O-N 2.9Å; Y199-I202 HydrophobicContact CD2-CD1 4.24Å; Y199-I202 HydrophobicContact CG-CD1 4.46Å; Y199-I202 WeakPolarHBondContact O-CA 3.48Å; Y199-I202 PolarHBondContact O-N 3.43Å; Y199-V203 WeakPolarHBondContact O-CG2 3.45Å; Y199-V203 PolarHBondContact O-N 3.49Å
200I95.2Very high94.9Very high31 Ų3133.3 Ų33.316%0.15916%0.159CC..Hα-helixtrans-51.6-47.1-172.2-62.5151000112.7N198 I202 V203 E204 E236 L237 L240N198-I200 PolarHBondContact O-N 3.38Å; N198-I200 VanDerWaalsContact O-N 3.15Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 3.32Å; I200-V203 WeakPolarHBondContact O-CB 3.29Å; I200-V203 PolarHBondContact O-N 3.28Å; I200-E204 PolarHBondContact O-N 3.05Å; I200-E236 HydrophobicContact CD1-CB 4.43Å; I200-E236 HydrophobicContact CD1-CG 4.16Å; I200-E236 WeakPolarHBondContact CD1-OE2 3.43Å; I200-L237 HydrophobicContact CB-CD2 4.2Å; I200-L237 HydrophobicContact CG1-CD2 3.71Å; I200-L237 HydrophobicContact CG1-CG 4.27Å; I200-L237 HydrophobicContact CG2-CD2 4.32Å; I200-L240 HydrophobicContact CG2-CD1 3.93Å
201H96.3Very high94.4Very high118 Ų11836.8 Ų36.855%0.54618%0.178SC..Hα-helixtrans-63.5-36.7178.4-69.5-57.6000113.3Y199 E204 I205Y199-H201 VanDerWaalsContact C-N 3.34Å; Y199-H201 PolarHBondContact O-N 2.9Å; H201-E204 PolarHBondContact O-N 3.03Å; H201-I205 WeakPolarHBondContact O-CD1 3.43Å; H201-I205 VanDerWaalsContact O-CG1 3.24Å; H201-I205 WeakPolarHBondContact O-CG1 3.3Å; H201-I205 PolarHBondContact O-N 3.36Å
202I97.7Very high93.8Very high0 Ų036.9 Ų36.90%018%0.178CC..Hα-helixtrans-70.8-39.6176.1-68.3179.6000110.2V160 N163 R165 V168 A194 Y199 I200 E204 I205 L206V160-I202 HydrophobicContact CB-CG2 4.42Å; V160-I202 HydrophobicContact CG1-CG2 4.06Å; V160-I202 HydrophobicContact CG2-CG2 3.8Å; N163-I202 VanDerWaalsContact OD1-CD1 3.29Å; N163-I202 WeakPolarHBondContact OD1-CD1 3.34Å; R165-I202 HydrophobicContact CB-CG1 4.48Å; V168-I202 HydrophobicContact CG1-CG2 4.39Å; V168-I202 HydrophobicContact CG2-CD1 4.36Å; V168-I202 HydrophobicContact CG2-CG2 4.49Å; A194-I202 HydrophobicContact CB-CG2 3.87Å; Y199-I202 HydrophobicContact CD2-CD1 4.24Å; Y199-I202 HydrophobicContact CG-CD1 4.46Å; Y199-I202 WeakPolarHBondContact O-CA 3.48Å; Y199-I202 PolarHBondContact O-N 3.43Å; I200-I202 VanDerWaalsContact C-N 3.33Å; I200-I202 PolarHBondContact O-N 3.32Å; I202-E204 VanDerWaalsContact C-N 3.34Å; I202-E204 PolarHBondContact O-N 3.06Å; I202-I205 PolarHBondContact O-N 3.44Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CB 3.46Å; I202-L206 WeakPolarHBondContact O-CG 3.33Å; I202-L206 PolarHBondContact O-N 3Å
203V96.2Very high92.9Very high0 Ų040.9 Ų40.90%019%0.194CC..Hα-helixtrans-56.3-49172.5171.20000110.2L191 A194 V195 Y199 I200 I205 L206 L207 L237 L240 F241L191-V203 HydrophobicContact CD1-CB 4.42Å; L191-V203 HydrophobicContact CD1-CG1 3.96Å; L191-V203 HydrophobicContact CD1-CG2 4.37Å; A194-V203 HydrophobicContact CB-CG2 3.66Å; V195-V203 HydrophobicContact CG2-CG2 3.96Å; Y199-V203 WeakPolarHBondContact O-CG2 3.45Å; Y199-V203 PolarHBondContact O-N 3.49Å; I200-V203 WeakPolarHBondContact O-CB 3.29Å; I200-V203 PolarHBondContact O-N 3.28Å; V203-I205 PolarHBondContact O-N 3.05Å; V203-L206 PolarHBondContact O-N 2.81Å; V203-L207 HydrophobicContact CG1-CD1 3.93Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.33Å; V203-L207 PolarHBondContact O-N 3.34Å; V203-L237 HydrophobicContact CB-CD2 4.07Å; V203-L237 HydrophobicContact CG1-CD2 4Å; V203-L237 HydrophobicContact CG2-CD1 4.32Å; V203-L237 HydrophobicContact CG2-CD2 4.03Å; V203-L240 HydrophobicContact CG1-CD2 4.4Å; V203-F241 HydrophobicContact CG1-CE1 3.74Å; V203-F241 HydrophobicContact CG1-CZ 4.26Å
204E94.8Very high91.8Very high50 Ų5040.5 Ų40.523%0.23419%0.192CC..Hα-helixtrans-57.8-46.2175.7-74.9-171.5-164.500113.1I200 H201 I202 L206 L207 R208 L240I200-E204 PolarHBondContact O-N 3.05Å; H201-E204 PolarHBondContact O-N 3.03Å; I202-E204 VanDerWaalsContact C-N 3.34Å; I202-E204 PolarHBondContact O-N 3.06Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.28Å; E204-L207 PolarHBondContact O-N 3.48Å; E204-R208 WeakPolarHBondContact O-CB 3.5Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.84Å; E204-R208 IonicContact OE2-CZ 2.85Å; E204-R208 IonicContact OE2-NH1 3.93Å; E204-R208 PolarHBondContact OE2-NH1 3.06Å; E204-R208 IonicContact OE2-NH2 3.98Å; E204-R208 PolarHBondContact OE2-NH2 2.97Å; E204-L240 HydrophobicContact CG-CD1 3.66Å
205I95.9Very high90.4Very high33 Ų3344.1 Ų44.117%0.16921%0.209CC..Hα-helixtrans-60.1-46.8179.6-71162000110R165 V168 I172 H201 I202 V203 R208 A209R165-I205 HydrophobicContact CG-CD1 3.47Å; R165-I205 VanDerWaalsContact CG-CD1 3.47Å; V168-I205 HydrophobicContact CG1-CG2 4.13Å; I172-I205 HydrophobicContact CD1-CG2 3.64Å; H201-I205 WeakPolarHBondContact O-CD1 3.43Å; H201-I205 VanDerWaalsContact O-CG1 3.24Å; H201-I205 WeakPolarHBondContact O-CG1 3.3Å; H201-I205 PolarHBondContact O-N 3.36Å; I202-I205 PolarHBondContact O-N 3.44Å; V203-I205 PolarHBondContact O-N 3.05Å; I205-R208 PolarHBondContact O-N 2.77Å; I205-A209 VanDerWaalsContact O-CB 3.3Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 2.91Å
206L95.5Very high89.2Confident0 Ų051.6 Ų51.60%024%0.238CC..Hα-helixtrans-64.6-41.3179-71.6169.8000112V160 I172 L179 A190 L191 A194 I202 V203 E204 A209 G210 W212V160-L206 HydrophobicContact CG2-CD1 4.26Å; I172-L206 HydrophobicContact CD1-CD2 3.69Å; I172-L206 HydrophobicContact CD1-CG 4.44Å; L179-L206 HydrophobicContact CD2-CD2 4.45Å; A190-L206 HydrophobicContact CB-CD1 4.26Å; A190-L206 HydrophobicContact CB-CD2 4.3Å; L191-L206 HydrophobicContact CB-CD1 4.41Å; L191-L206 HydrophobicContact CD1-CB 4.2Å; L191-L206 HydrophobicContact CD1-CD1 4.4Å; A194-L206 HydrophobicContact CB-CD1 3.98Å; I202-L206 HydrophobicContact CG2-CD1 3.84Å; I202-L206 HydrophobicContact CG2-CG 4.29Å; I202-L206 WeakPolarHBondContact O-CB 3.46Å; I202-L206 WeakPolarHBondContact O-CG 3.33Å; I202-L206 PolarHBondContact O-N 3Å; V203-L206 PolarHBondContact O-N 2.81Å; E204-L206 VanDerWaalsContact C-N 3.33Å; E204-L206 PolarHBondContact O-N 3.28Å; L206-A209 PolarHBondContact O-N 3.42Å; L206-G210 PolarHBondContact O-N 3.23Å; L206-W212 HydrophobicContact CB-CZ2 4.35Å; L206-W212 PolarHBondContact O-NE1 3.45Å
207L92Very high88.6Confident9 Ų951 Ų515%0.04724%0.236CC..Hα-helixtrans-64.9-37.1176.9-73.9178000113L191 V203 E204 A209 G210 W212 L240 F241 Y244 Y246L191-L207 HydrophobicContact CD1-CD2 4.44Å; L191-L207 HydrophobicContact CD1-CG 4.48Å; L191-L207 HydrophobicContact CD2-CD2 3.97Å; V203-L207 HydrophobicContact CG1-CD1 3.93Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 WeakPolarHBondContact O-CB 3.41Å; V203-L207 VanDerWaalsContact O-CG 3.26Å; V203-L207 WeakPolarHBondContact O-CG 3.33Å; V203-L207 PolarHBondContact O-N 3.34Å; E204-L207 PolarHBondContact O-N 3.48Å; L207-A209 VanDerWaalsContact C-N 3.31Å; L207-G210 VanDerWaalsContact O-O 3.1Å; L207-W212 HydrophobicContact CD2-CG 4.47Å; L207-L240 HydrophobicContact CD1-CD2 3.22Å; L207-F241 HydrophobicContact CD1-CD1 3.94Å; L207-F241 HydrophobicContact CD1-CE1 3.82Å; L207-F241 HydrophobicContact CD2-CE1 4.23Å; L207-F241 HydrophobicContact CG-CE1 4.4Å; L207-Y244 HydrophobicContact CB-CD1 4.45Å; L207-Y244 HydrophobicContact CB-CE1 4.05Å; L207-Y244 HydrophobicContact CD1-CD2 4.03Å; L207-Y244 HydrophobicContact CD1-CE2 4.05Å; L207-Y244 HydrophobicContact CD1-CG 4.25Å; L207-Y246 HydrophobicContact CD2-CE2 3.8Å
208R92Very high88Confident164 Ų16447.5 Ų47.562%0.61922%0.221SC*.Hα-helixtrans-70.9-29.9175.4-71.9-179.2-176.3118.25.2112.1E204 I205 Y244E204-R208 WeakPolarHBondContact O-CB 3.5Å; E204-R208 WeakPolarHBondContact O-CG 3.39Å; E204-R208 PolarHBondContact O-N 2.84Å; E204-R208 IonicContact OE2-CZ 2.85Å; E204-R208 IonicContact OE2-NH1 3.93Å; E204-R208 PolarHBondContact OE2-NH1 3.06Å; E204-R208 IonicContact OE2-NH2 3.98Å; E204-R208 PolarHBondContact OE2-NH2 2.97Å; I205-R208 PolarHBondContact O-N 2.77Å; R208-Y244 WeakPolarHBondContact CG-OH 3.24Å
209A92.6Very high87.6Confident46 Ų4644.8 Ų44.838%0.3821%0.206SC..Hα-helixtrans-82.5-41.1-176.400000114I172 L179 I205 L206 L207I172-A209 HydrophobicContact CD1-CB 4.3Å; I172-A209 HydrophobicContact CG2-CB 3.29Å; L179-A209 HydrophobicContact CD1-CB 4.03Å; I205-A209 VanDerWaalsContact O-CB 3.3Å; I205-A209 WeakPolarHBondContact O-CB 3.48Å; I205-A209 PolarHBondContact O-N 2.91Å; L206-A209 PolarHBondContact O-N 3.42Å; L207-A209 VanDerWaalsContact C-N 3.31Å
210G86.6Confident87Confident11 Ų1144.5 Ų44.511%0.11321%0.209CC..SBendtrans-111155.7-172.500000113.1L179 L206 L207L179-G210 VanDerWaalsContact CD1-CA 3.48Å; L206-G210 PolarHBondContact O-N 3.23Å; L207-G210 VanDerWaalsContact O-O 3.1Å
211N84.8Confident86.4Confident75 Ų7546.9 Ų46.940%0.40122%0.221SC..  trans-94.697.7167.2-165.8-3.1000109.5Y180 Y213Y180-N211 WeakPolarHBondContact CE1-O 3.41Å; Y180-N211 WeakPolarHBondContact OH-CA 3.18Å; Y180-N211 PolarHBondContact OH-N 3.05Å; Y180-N211 PolarHBondContact OH-O 3.35Å; N211-Y213 HydrophobicContact CB-CE2 4.39Å; N211-Y213 WeakPolarHBondContact ND2-CE2 3.5Å; N211-Y213 PolarHBondContact ND2-OH 3.36Å; N211-Y213 VanDerWaalsContact ND2-OH 3.12Å; N211-Y213 PolarHBondContact O-N 3.48Å; N211-Y213 VanDerWaalsContact OD1-CE2 3.31Å; N211-Y213 WeakPolarHBondContact OD1-CE2 3.29Å
212W84.5Confident85.7Confident1 Ų141.3 Ų41.30%0.00420%0.195CC..  trans-95.262-169.5-64.695.8000112.9L179 Y180 T189 L191 L206 L207 I214 N217 F225 Y246L179-W212 HydrophobicContact CB-CH2 4.37Å; L179-W212 HydrophobicContact CB-CZ2 4.17Å; L179-W212 WeakPolarHBondContact O-CH2 3.26Å; Y180-W212 AromaticContact CD1-CE3 3.97Å; Y180-W212 HydrophobicContact CD1-CE3 3.97Å; Y180-W212 HydrophobicContact CD1-CH2 4.49Å; Y180-W212 AromaticContact CD1-CZ3 3.89Å; Y180-W212 HydrophobicContact CD1-CZ3 3.89Å; Y180-W212 HydrophobicContact CE1-CD2 4.23Å; Y180-W212 AromaticContact CE1-CE3 3.95Å; Y180-W212 HydrophobicContact CE1-CE3 3.95Å; Y180-W212 HydrophobicContact CE1-CZ3 4.27Å; T189-W212 HydrophobicContact CG2-CZ3 4.04Å; T189-W212 WeakPolarHBondContact OG1-CZ3 3.34Å; L191-W212 HydrophobicContact CB-CD2 4.17Å; L191-W212 HydrophobicContact CB-CE3 4.14Å; L191-W212 HydrophobicContact CB-CH2 3.52Å; L191-W212 HydrophobicContact CB-CZ2 3.6Å; L191-W212 HydrophobicContact CB-CZ3 3.84Å; L191-W212 HydrophobicContact CD2-CB 4.05Å; L191-W212 HydrophobicContact CD2-CD2 3.45Å; L191-W212 VanDerWaalsContact CD2-CD2 3.45Å; L191-W212 HydrophobicContact CD2-CE3 3.86Å; L191-W212 HydrophobicContact CD2-CG 3.59Å; L191-W212 HydrophobicContact CD2-CZ2 4.32Å; L191-W212 HydrophobicContact CD2-CZ3 4.42Å; L191-W212 HydrophobicContact CG-CD2 4.44Å; L206-W212 HydrophobicContact CB-CZ2 4.35Å; L206-W212 PolarHBondContact O-NE1 3.45Å; L207-W212 HydrophobicContact CD2-CG 4.47Å; W212-I214 PolarHBondContact O-N 2.94Å; W212-N217 WeakPolarHBondContact CZ3-ND2 3.27Å; W212-F225 HydrophobicContact CB-CE1 3.96Å; W212-F225 HydrophobicContact CB-CZ 4.15Å; W212-Y246 HydrophobicContact CB-CE1 4.48Å; W212-Y246 WeakPolarHBondContact CB-OH 3.2Å; W212-Y246 WeakPolarHBondContact O-CE1 3.46Å
213Y75.4Confident85.1Confident84 Ų8442.4 Ų42.433%0.32920%0.201SC..  trans-58112.9176.1-67.6-70.1000111.4N211 E215 Y216 N217 K398N211-Y213 HydrophobicContact CB-CE2 4.39Å; N211-Y213 WeakPolarHBondContact ND2-CE2 3.5Å; N211-Y213 PolarHBondContact ND2-OH 3.36Å; N211-Y213 VanDerWaalsContact ND2-OH 3.12Å; N211-Y213 PolarHBondContact O-N 3.48Å; N211-Y213 VanDerWaalsContact OD1-CE2 3.31Å; N211-Y213 WeakPolarHBondContact OD1-CE2 3.29Å; Y213-E215 PolarHBondContact O-N 2.82Å; Y213-E215 VanDerWaalsContact O-N 3.14Å; Y213-Y216 PolarHBondContact O-N 3.47Å; Y213-Y216 VanDerWaalsContact O-N 3.11Å; Y213-N217 PolarHBondContact O-N 3.48Å; Y213-K398 WeakPolarHBondContact OH-CE 3.48Å
214I72Confident84.7Confident8 Ų842.5 Ų42.54%0.04120%0.201CC..G310 helixtrans-54.4-36.3-177.5-68.9170.3000111.2W212 Y216 N217 Y218 F225 V226 Y246 D247 R250W212-I214 PolarHBondContact O-N 2.94Å; I214-Y216 PolarHBondContact O-N 3.1Å; I214-N217 PolarHBondContact O-N 2.87Å; I214-N217 VanDerWaalsContact O-N 3.15Å; I214-Y218 WeakPolarHBondContact O-CE2 3.21Å; I214-F225 HydrophobicContact CD1-CE2 4.08Å; I214-F225 HydrophobicContact CD1-CZ 4.01Å; I214-F225 HydrophobicContact CG1-CE1 3.93Å; I214-F225 HydrophobicContact CG1-CE2 3.89Å; I214-F225 HydrophobicContact CG1-CZ 3.36Å; I214-V226 HydrophobicContact CD1-CG2 3.6Å; I214-V226 HydrophobicContact CG1-CG2 4.43Å; I214-Y246 HydrophobicContact CD1-CD1 3.41Å; I214-Y246 VanDerWaalsContact CD1-CD1 3.41Å; I214-Y246 HydrophobicContact CD1-CE1 4.37Å; I214-Y246 HydrophobicContact CD1-CG 3.91Å; I214-Y246 HydrophobicContact CG1-CD1 3.74Å; I214-Y246 HydrophobicContact CG1-CE1 4.25Å; I214-D247 WeakPolarHBondContact CD1-O 3.5Å; I214-R250 HydrophobicContact CG2-CB 4.26Å
215E68.6Low84.3Confident76 Ų7640.1 Ų40.136%0.35519%0.19SC..G310 helixtrans-53.6-28.6180-168.8158.3175.300115.2Y213 Y218 R250 K253Y213-E215 PolarHBondContact O-N 2.82Å; Y213-E215 VanDerWaalsContact O-N 3.14Å; E215-Y218 VanDerWaalsContact O-CE2 3.28Å; E215-Y218 WeakPolarHBondContact O-CE2 3.5Å; E215-R250 IonicContact OE1-NH1 3.21Å; E215-R250 IonicContact OE2-CZ 3.78Å; E215-R250 VanDerWaalsContact OE2-CZ 3.28Å; E215-R250 IonicContact OE2-NH1 2.66Å; E215-R250 PolarHBondContact OE2-NH1 3.29Å; E215-R250 IonicContact OE2-NH2 3.94Å; E215-R250 PolarHBondContact OE2-NH2 2.89Å; E215-K253 WeakPolarHBondContact O-CE 3.19Å; E215-K253 PolarHBondContact O-NZ 3.19Å
216Y70.4Confident83.9Confident157 Ų15738.6 Ų38.662%0.61618%0.182SC*.G310 helixtrans-114.7-4.9-175.3-54.5-61.9000112.6R182 Y213 I214R182-Y216 PolarHBondContact NH2-O 3.12Å; Y213-Y216 PolarHBondContact O-N 3.47Å; Y213-Y216 VanDerWaalsContact O-N 3.11Å; I214-Y216 PolarHBondContact O-N 3.1Å
217N80Confident83.5Confident8 Ų838.6 Ų38.64%0.04318%0.182CC..  trans-112.771.3-173-166.226.7000111.9T189 H192 W212 Y213 I214 F225T189-N217 VanDerWaalsContact CG2-OD1 3.26Å; T189-N217 WeakPolarHBondContact CG2-OD1 3.14Å; H192-N217 PolarHBondContact CE1-OD1 3.28Å; W212-N217 WeakPolarHBondContact CZ3-ND2 3.27Å; Y213-N217 PolarHBondContact O-N 3.48Å; I214-N217 PolarHBondContact O-N 2.87Å; I214-N217 VanDerWaalsContact O-N 3.15Å; N217-F225 HydrophobicContact CB-CE1 4.49Å; N217-F225 WeakPolarHBondContact ND2-CD1 3.4Å
218Y84.7Confident83.4Confident10 Ų1038.1 Ų38.14%0.03918%0.18CC..BIsolated β-bridgetrans-114.5137.6175.7-67.5-84.2000110.4R182 I214 E215 G222 E223 P251 K253R182-Y218 PolarHBondContact NH1-O 3.47Å; R182-Y218 PolarHBondContact NH2-O 3.49Å; I214-Y218 WeakPolarHBondContact O-CE2 3.21Å; E215-Y218 VanDerWaalsContact O-CE2 3.28Å; E215-Y218 WeakPolarHBondContact O-CE2 3.5Å; Y218-G222 WeakPolarHBondContact CD1-O 3.15Å; Y218-E223 CarbonylContact C-O 3.56Å; Y218-E223 VanDerWaalsContact CA-O 3.31Å; Y218-E223 WeakPolarHBondContact CA-O 3.25Å; Y218-P251 PolarHBondContact OH-O 2.95Å; Y218-P251 VanDerWaalsContact OH-O 3.08Å; Y218-K253 HydrophobicContact CD1-CG 4.42Å; Y218-K253 HydrophobicContact CD2-CD 3.65Å; Y218-K253 HydrophobicContact CD2-CG 3.98Å; Y218-K253 HydrophobicContact CE1-CG 4.28Å; Y218-K253 HydrophobicContact CE2-CD 3.8Å; Y218-K253 HydrophobicContact CE2-CG 3.86Å; Y218-K253 HydrophobicContact CG-CD 4.2Å; Y218-K253 HydrophobicContact CG-CG 4.24Å
219N87.1Confident83.3Confident0 Ų030.3 Ų30.30%015%0.15CC..  trans-76.9-175.1174.371.712.4000111.8T186 G187 D188 L221 G222 E223T186-N219 WeakPolarHBondContact O-CB 3.4Å; G187-N219 WeakPolarHBondContact O-CA 3.38Å; D188-N219 WeakPolarHBondContact OD1-CB 3.2Å; D188-N219 PolarHBondContact OD1-ND2 3.32Å; N219-L221 PolarHBondContact O-N 3.07Å; N219-L221 WeakPolarHBondContact OD1-CA 3.44Å; N219-L221 WeakPolarHBondContact OD1-CB 3.48Å; N219-L221 PolarHBondContact OD1-N 3.04Å; N219-G222 PolarHBondContact O-N 2.99Å; N219-G222 PolarHBondContact OD1-N 2.82Å; N219-E223 PolarHBondContact N-O 2.79Å; N219-E223 WeakPolarHBondContact OD1-CB 3.31Å; N219-E223 PolarHBondContact OD1-N 3.02Å; N219-E223 PolarHBondContact OD1-O 3.22Å
220N85.1Confident83.2Confident53 Ų5328.1 Ų28.128%0.28313%0.132SC..THydrogen-bonded Turntrans-69.9-9.8-178.9-63.8-17.7000113.2T186 G187 G222 P256T186-N220 WeakPolarHBondContact O-CB 3.48Å; T186-N220 PolarHBondContact O-N 3.49Å; G187-N220 PolarHBondContact N-ND2 3.09Å; N220-G222 VanDerWaalsContact C-N 3.32Å; N220-P256 WeakPolarHBondContact O-CB 3.01Å; N220-P256 WeakPolarHBondContact O-CG 3.48Å
221L82Confident83.3Confident82 Ų8228.4 Ų28.443%0.42913%0.134SC..THydrogen-bonded Turntrans-90.3-0.5171.2-58.1171.7000111.9N219 E223N219-L221 PolarHBondContact O-N 3.07Å; N219-L221 WeakPolarHBondContact OD1-CA 3.44Å; N219-L221 WeakPolarHBondContact OD1-CB 3.48Å; N219-L221 PolarHBondContact OD1-N 3.04Å; L221-E223 HydrophobicContact CB-CB 4.46Å; L221-E223 HydrophobicContact CB-CG 4.03Å; L221-E223 PolarHBondContact O-N 3.18Å
222G82.3Confident83.5Confident0 Ų028.7 Ų28.70%013%0.13CC..SBendtrans71.313.7-171.800000112.7Y218 N219 N220 A252 K253Y218-G222 WeakPolarHBondContact CD1-O 3.15Å; N219-G222 PolarHBondContact O-N 2.99Å; N219-G222 PolarHBondContact OD1-N 2.82Å; N220-G222 VanDerWaalsContact C-N 3.32Å; G222-A252 CarbonylContact O-C 3.43Å; G222-A252 WeakPolarHBondContact O-CA 3.28Å; G222-A252 WeakPolarHBondContact O-CB 3.43Å; G222-K253 PolarHBondContact O-N 3.49Å
223E83.9Confident83.8Confident24 Ų2432.4 Ų32.411%0.11215%0.149CC..  trans-92.1139.9178.6-67.9-179.5151.600109.9Y218 N219 L221 H227 R291Y218-E223 CarbonylContact C-O 3.56Å; Y218-E223 VanDerWaalsContact CA-O 3.31Å; Y218-E223 WeakPolarHBondContact CA-O 3.25Å; N219-E223 PolarHBondContact N-O 2.79Å; N219-E223 WeakPolarHBondContact OD1-CB 3.31Å; N219-E223 PolarHBondContact OD1-N 3.02Å; N219-E223 PolarHBondContact OD1-O 3.22Å; L221-E223 HydrophobicContact CB-CB 4.46Å; L221-E223 HydrophobicContact CB-CG 4.03Å; L221-E223 PolarHBondContact O-N 3.18Å; E223-H227 HydrophobicContact CB-CB 3.83Å; E223-H227 HydrophobicContact CG-CB 4.11Å; E223-R291 IonicContact OE2-NH2 2.72Å
224S88.1Confident84.6Confident1 Ų130.9 Ų30.91%0.00714%0.143CC..BIsolated β-bridgetrans-93168.5168.372.80000110.5V226 H227 D228S224-V226 PolarHBondContact O-N 3.15Å; S224-V226 PolarHBondContact OG-N 2.91Å; S224-H227 PolarHBondContact N-ND1 3.34Å; S224-H227 VanDerWaalsContact N-ND1 3.12Å; S224-H227 WeakPolarHBondContact O-CA 3.39Å; S224-H227 VanDerWaalsContact O-CB 3.28Å; S224-H227 WeakPolarHBondContact O-CB 3.47Å; S224-H227 PolarHBondContact O-N 3.3Å; S224-H227 PolarHBondContact OG-ND1 2.6Å; S224-D228 PolarHBondContact O-N 3.22Å
225F86.8Confident85.5Confident0 Ų032.8 Ų32.80%015%0.153CC..Hα-helixtrans-56.9-20.5173.856.6-103.5000114.1L191 H192 V195 W212 I214 N217 D228 V229 F241 Y246L191-F225 HydrophobicContact CD2-CD1 3.67Å; L191-F225 HydrophobicContact CD2-CD2 4.35Å; L191-F225 HydrophobicContact CD2-CE1 3.82Å; L191-F225 HydrophobicContact CD2-CE2 4.47Å; L191-F225 HydrophobicContact CD2-CG 3.93Å; L191-F225 HydrophobicContact CD2-CZ 4.2Å; L191-F225 HydrophobicContact CG-CB 4.4Å; L191-F225 HydrophobicContact CG-CD1 4.35Å; L191-F225 HydrophobicContact CG-CG 4.32Å; H192-F225 PolarHBondContact NE2-N 3.15Å; V195-F225 HydrophobicContact CG2-CB 4.32Å; W212-F225 HydrophobicContact CB-CE1 3.96Å; W212-F225 HydrophobicContact CB-CZ 4.15Å; I214-F225 HydrophobicContact CD1-CE2 4.08Å; I214-F225 HydrophobicContact CD1-CZ 4.01Å; I214-F225 HydrophobicContact CG1-CE1 3.93Å; I214-F225 HydrophobicContact CG1-CE2 3.89Å; I214-F225 HydrophobicContact CG1-CZ 3.36Å; N217-F225 HydrophobicContact CB-CE1 4.49Å; N217-F225 WeakPolarHBondContact ND2-CD1 3.4Å; F225-D228 PolarHBondContact O-N 3.15Å; F225-V229 PolarHBondContact O-N 3Å; F225-F241 HydrophobicContact CD2-CD2 4.05Å; F225-F241 HydrophobicContact CD2-CE1 4.33Å; F225-F241 AromaticContact CD2-CE2 3.35Å; F225-F241 HydrophobicContact CD2-CE2 3.35Å; F225-F241 AromaticContact CD2-CZ 3.51Å; F225-F241 HydrophobicContact CD2-CZ 3.51Å; F225-F241 HydrophobicContact CE2-CD2 4.2Å; F225-F241 HydrophobicContact CE2-CE1 4.39Å; F225-F241 AromaticContact CE2-CE2 3.9Å; F225-F241 HydrophobicContact CE2-CE2 3.9Å; F225-F241 AromaticContact CE2-CZ 3.99Å; F225-F241 HydrophobicContact CE2-CZ 3.99Å; F225-F241 HydrophobicContact CG-CE2 4.42Å; F225-F241 HydrophobicContact CG-CZ 4.39Å; F225-Y246 HydrophobicContact CE2-CD1 4.43Å; F225-Y246 HydrophobicContact CZ-CD1 4.13Å; F225-Y246 AromaticContact CZ-CE1 3.9Å; F225-Y246 HydrophobicContact CZ-CE1 3.9Å
226V86.7Confident86.6Confident1 Ų134.9 Ų34.91%0.00616%0.163CC..Hα-helixtrans-71.7-39.3172178.10000111I214 S224 D228 V229 V230 F241 L248 P301I214-V226 HydrophobicContact CD1-CG2 3.6Å; I214-V226 HydrophobicContact CG1-CG2 4.43Å; S224-V226 PolarHBondContact O-N 3.15Å; S224-V226 PolarHBondContact OG-N 2.91Å; V226-D228 VanDerWaalsContact C-N 3.26Å; V226-D228 PolarHBondContact O-N 2.75Å; V226-V229 WeakPolarHBondContact O-CB 3.3Å; V226-V229 PolarHBondContact O-N 3.04Å; V226-V230 PolarHBondContact O-N 3.11Å; V226-F241 HydrophobicContact CG2-CD2 4.14Å; V226-L248 HydrophobicContact CB-CD2 4.43Å; V226-L248 HydrophobicContact CG1-CB 4.24Å; V226-L248 HydrophobicContact CG1-CD2 3.8Å; V226-L248 HydrophobicContact CG2-CD2 3.68Å; V226-P301 HydrophobicContact CG1-CB 3.99Å; V226-P301 HydrophobicContact CG1-CG 3.82Å
227H87.8Confident87.7Confident0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-62.9-38.4173.9-62.379.5000110.2E223 S224 V230 A231 R250 A252 K299 M304E223-H227 HydrophobicContact CB-CB 3.83Å; E223-H227 HydrophobicContact CG-CB 4.11Å; S224-H227 PolarHBondContact N-ND1 3.34Å; S224-H227 VanDerWaalsContact N-ND1 3.12Å; S224-H227 WeakPolarHBondContact O-CA 3.39Å; S224-H227 VanDerWaalsContact O-CB 3.28Å; S224-H227 WeakPolarHBondContact O-CB 3.47Å; S224-H227 PolarHBondContact O-N 3.3Å; S224-H227 PolarHBondContact OG-ND1 2.6Å; H227-V230 PolarHBondContact O-N 2.79Å; H227-A231 WeakPolarHBondContact O-CB 3.41Å; H227-A231 PolarHBondContact O-N 3.28Å; H227-R250 PolarHBondContact CE1-O 3Å; H227-A252 PolarHBondContact NE2-N 3.14Å; H227-A252 VanDerWaalsContact NE2-N 3.13Å; H227-K299 PolarHBondContact NE2-O 3Å; H227-K299 VanDerWaalsContact NE2-O 3.17Å; H227-M304 HydrophobicContact CB-CE 4.31Å; H227-M304 HydrophobicContact CB-SD 4.28Å
228D89.7Confident88.2Confident0 Ų027 Ų270%013%0.131CC..Hα-helixtrans-62.4-42.9172.7-72.6-35.9000112.4H192 V195 K196 S224 F225 V226 V230 A231 Y232 R291H192-D228 IonicContact CD2-OD2 3.16Å; H192-D228 PolarHBondContact CD2-OD2 3.29Å; H192-D228 IonicContact CG-OD2 2.68Å; V195-D228 HydrophobicContact CG1-CB 3.68Å; K196-D228 WeakPolarHBondContact CE-OD1 3.46Å; K196-D228 WeakPolarHBondContact CE-OD2 3.42Å; K196-D228 HydrophobicContact CG-CB 4.16Å; K196-D228 IonicContact NZ-OD1 2.91Å; S224-D228 PolarHBondContact O-N 3.22Å; F225-D228 PolarHBondContact O-N 3.15Å; V226-D228 VanDerWaalsContact C-N 3.26Å; V226-D228 PolarHBondContact O-N 2.75Å; D228-V230 VanDerWaalsContact C-N 3.28Å; D228-V230 PolarHBondContact O-N 3.36Å; D228-A231 PolarHBondContact O-N 3.39Å; D228-Y232 HydrophobicContact CB-CD2 4.43Å; D228-Y232 VanDerWaalsContact O-CD2 3.3Å; D228-Y232 WeakPolarHBondContact O-CD2 3.4Å; D228-Y232 PolarHBondContact O-N 2.91Å; D228-R291 IonicContact OD1-NH2 2.78Å
229V91.2Very high88.3Confident0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-56-45.1174.9160.30000111.3V195 F225 V226 N233 R234 L237 L238 F241 M313V195-V229 HydrophobicContact CG1-CB 4.38Å; V195-V229 HydrophobicContact CG1-CG2 3.48Å; V195-V229 VanDerWaalsContact CG1-CG2 3.48Å; F225-V229 PolarHBondContact O-N 3Å; V226-V229 WeakPolarHBondContact O-CB 3.3Å; V226-V229 PolarHBondContact O-N 3.04Å; V229-N233 PolarHBondContact O-N 3.16Å; V229-N233 VanDerWaalsContact O-N 3.15Å; V229-R234 HydrophobicContact CG1-CB 4.26Å; V229-R234 WeakPolarHBondContact CG1-O 3.36Å; V229-R234 HydrophobicContact CG2-CB 4.39Å; V229-R234 PolarHBondContact O-N 2.78Å; V229-L237 HydrophobicContact CG1-CB 4.49Å; V229-L237 HydrophobicContact CG2-CB 3.65Å; V229-L237 HydrophobicContact CG2-CD1 4.34Å; V229-L238 HydrophobicContact CG1-CB 3.72Å; V229-L238 HydrophobicContact CG1-CD1 4.22Å; V229-F241 HydrophobicContact CB-CE2 4.36Å; V229-F241 HydrophobicContact CG2-CD2 3.86Å; V229-F241 HydrophobicContact CG2-CE2 3.32Å; V229-F241 HydrophobicContact CG2-CZ 4.14Å; V229-M313 HydrophobicContact CG1-CE 3.58Å
230V89.4Confident88.4Confident0 Ų034.5 Ų34.50%016%0.161CC..Hα-helixtrans-69.9-44.7177.41790000111.5V226 H227 D228 Y232 N233 P301 M304 A305 H310 M313 L317V226-V230 PolarHBondContact O-N 3.11Å; H227-V230 PolarHBondContact O-N 2.79Å; D228-V230 VanDerWaalsContact C-N 3.28Å; D228-V230 PolarHBondContact O-N 3.36Å; V230-Y232 VanDerWaalsContact C-N 3.28Å; V230-Y232 PolarHBondContact O-N 2.86Å; V230-N233 PolarHBondContact O-N 2.69Å; V230-N233 VanDerWaalsContact O-N 3.16Å; V230-P301 HydrophobicContact CG2-CB 3.84Å; V230-M304 HydrophobicContact CB-SD 4.2Å; V230-M304 HydrophobicContact CG1-CB 4.05Å; V230-M304 HydrophobicContact CG1-CG 3.84Å; V230-M304 HydrophobicContact CG1-SD 4.17Å; V230-A305 HydrophobicContact CG1-CB 3.73Å; V230-H310 PolarHBondContact O-CE1 3.19Å; V230-H310 PolarHBondContact O-ND1 2.81Å; V230-M313 HydrophobicContact CB-CE 4.34Å; V230-M313 HydrophobicContact CG2-CE 3.9Å; V230-L317 HydrophobicContact CG2-CD1 4.03Å
231A88.6Confident88.5Confident17 Ų1732 Ų3214%0.1415%0.148CC..Hα-helixtrans-59.8-39.4-177.100000112.5H227 D228 M304 R308H227-A231 WeakPolarHBondContact O-CB 3.41Å; H227-A231 PolarHBondContact O-N 3.28Å; D228-A231 PolarHBondContact O-N 3.39Å; A231-M304 HydrophobicContact CB-SD 4.35Å; A231-R308 VanDerWaalsContact CA-NH1 3.26Å
232Y88.9Confident88.5Confident81 Ų8129.9 Ų29.932%0.31814%0.137SC..THydrogen-bonded Turntrans-99.111.2-180-67.9-83.9000113.7K196 D228 V230 R234 R291K196-Y232 HydrophobicContact CB-CD2 4.47Å; K196-Y232 HydrophobicContact CB-CE2 4.1Å; K196-Y232 HydrophobicContact CD-CE2 4.09Å; K196-Y232 HydrophobicContact CG-CD2 4.12Å; K196-Y232 HydrophobicContact CG-CE2 3.59Å; D228-Y232 HydrophobicContact CB-CD2 4.43Å; D228-Y232 VanDerWaalsContact O-CD2 3.3Å; D228-Y232 WeakPolarHBondContact O-CD2 3.4Å; D228-Y232 PolarHBondContact O-N 2.91Å; V230-Y232 VanDerWaalsContact C-N 3.28Å; V230-Y232 PolarHBondContact O-N 2.86Å; Y232-R234 VanDerWaalsContact O-CD 3.31Å; Y232-R234 WeakPolarHBondContact O-CD 3.25Å; Y232-R234 PolarHBondContact O-N 3.2Å; Y232-R234 PolarHBondContact O-NE 2.81Å; Y232-R291 VanDerWaalsContact OH-CZ 3.28Å; Y232-R291 PolarHBondContact OH-NH1 2.58Å; Y232-R291 PolarHBondContact OH-NH2 3.41Å
233N90.7Very high88.5Confident78 Ų7833.7 Ų33.742%0.41717%0.168SC..THydrogen-bonded Turntrans52.346.9178.6-160.518.3000114.1V229 V230 L235 M313V229-N233 PolarHBondContact O-N 3.16Å; V229-N233 VanDerWaalsContact O-N 3.15Å; V230-N233 PolarHBondContact O-N 2.69Å; V230-N233 VanDerWaalsContact O-N 3.16Å; N233-L235 PolarHBondContact O-N 2.94Å; N233-M313 VanDerWaalsContact OD1-CG 3.26Å; N233-M313 WeakPolarHBondContact OD1-CG 3.45Å
234R93.3Very high88.4Confident52 Ų5236.5 Ų36.520%0.19618%0.178CC..  trans-89.372.2-176.3-52.1-54.5-169.2-1700.2111.5K196 N198 V229 Y232 E236 L237 L238K196-R234 PolarHBondContact O-NH2 2.89Å; N198-R234 WeakPolarHBondContact OD1-CD 3.28Å; V229-R234 HydrophobicContact CG1-CB 4.26Å; V229-R234 WeakPolarHBondContact CG1-O 3.36Å; V229-R234 HydrophobicContact CG2-CB 4.39Å; V229-R234 PolarHBondContact O-N 2.78Å; Y232-R234 VanDerWaalsContact O-CD 3.31Å; Y232-R234 WeakPolarHBondContact O-CD 3.25Å; Y232-R234 PolarHBondContact O-N 3.2Å; Y232-R234 PolarHBondContact O-NE 2.81Å; R234-E236 VanDerWaalsContact C-N 3.29Å; R234-E236 PolarHBondContact O-N 2.98Å; R234-L237 HydrophobicContact CB-CB 3.92Å; R234-L237 HydrophobicContact CB-CD1 3.89Å; R234-L237 HydrophobicContact CB-CG 4.09Å; R234-L237 HydrophobicContact CG-CD1 4.18Å; R234-L237 PolarHBondContact O-N 2.78Å; R234-L237 VanDerWaalsContact O-N 3.08Å; R234-L238 PolarHBondContact O-N 3.33Å
235L90.2Very high87.7Confident49 Ų4943.3 Ų43.326%0.25722%0.215SC..Hα-helixtrans-54.1-40.9-174.7-16578.3000113.8N233 L238 R239 D312 M313 I316N233-L235 PolarHBondContact O-N 2.94Å; L235-L238 WeakPolarHBondContact O-CB 3.2Å; L235-L238 PolarHBondContact O-N 3.44Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 3.01Å; L235-R239 VanDerWaalsContact O-N 3.11Å; L235-D312 HydrophobicContact CD1-CB 4.05Å; L235-M313 HydrophobicContact CB-SD 4.22Å; L235-M313 HydrophobicContact CD1-CG 4.08Å; L235-M313 HydrophobicContact CD1-SD 3.57Å; L235-M313 VanDerWaalsContact CD1-SD 3.57Å; L235-M313 HydrophobicContact CG-SD 4.45Å; L235-I316 HydrophobicContact CD1-CD1 3.58Å; L235-I316 HydrophobicContact CG-CD1 4.28Å
236E92Very high87.2Confident119 Ų11945.1 Ų45.156%0.55622%0.222SC*.Hα-helixtrans-67.5-40.8179-170.6173175.800112I200 R234 L238 R239 L240I200-E236 HydrophobicContact CD1-CB 4.43Å; I200-E236 HydrophobicContact CD1-CG 4.16Å; I200-E236 WeakPolarHBondContact CD1-OE2 3.43Å; R234-E236 VanDerWaalsContact C-N 3.29Å; R234-E236 PolarHBondContact O-N 2.98Å; E236-L238 VanDerWaalsContact C-N 3.31Å; E236-L238 PolarHBondContact O-N 3.2Å; E236-R239 PolarHBondContact O-N 3.26Å; E236-L240 WeakPolarHBondContact O-CB 3.49Å; E236-L240 PolarHBondContact O-N 3.44Å
237L93.3Very high86.5Confident0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-67-32.7174.5-65.5-176.7000112.2V195 I200 V203 V229 R234 L240 F241V195-L237 HydrophobicContact CB-CD1 4.27Å; V195-L237 HydrophobicContact CG1-CD1 4.09Å; V195-L237 HydrophobicContact CG2-CD1 4.23Å; I200-L237 HydrophobicContact CB-CD2 4.2Å; I200-L237 HydrophobicContact CG1-CD2 3.71Å; I200-L237 HydrophobicContact CG1-CG 4.27Å; I200-L237 HydrophobicContact CG2-CD2 4.32Å; V203-L237 HydrophobicContact CB-CD2 4.07Å; V203-L237 HydrophobicContact CG1-CD2 4Å; V203-L237 HydrophobicContact CG2-CD1 4.32Å; V203-L237 HydrophobicContact CG2-CD2 4.03Å; V229-L237 HydrophobicContact CG1-CB 4.49Å; V229-L237 HydrophobicContact CG2-CB 3.65Å; V229-L237 HydrophobicContact CG2-CD1 4.34Å; R234-L237 HydrophobicContact CB-CB 3.92Å; R234-L237 HydrophobicContact CB-CD1 3.89Å; R234-L237 HydrophobicContact CB-CG 4.09Å; R234-L237 HydrophobicContact CG-CD1 4.18Å; R234-L237 PolarHBondContact O-N 2.78Å; R234-L237 VanDerWaalsContact O-N 3.08Å; L237-L240 HydrophobicContact CD2-CD1 4.37Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.1Å; L237-F241 WeakPolarHBondContact O-CG 2.95Å; L237-F241 PolarHBondContact O-N 2.98Å
238L89.7Confident85.8Confident0 Ų048.7 Ų48.70%024%0.241CC..Hα-helixtrans-60.1-49.9171.8-176.665.9000110.7V229 R234 L235 E236 L240 F241 L242 L248 M313 I316 L317V229-L238 HydrophobicContact CG1-CB 3.72Å; V229-L238 HydrophobicContact CG1-CD1 4.22Å; R234-L238 PolarHBondContact O-N 3.33Å; L235-L238 WeakPolarHBondContact O-CB 3.2Å; L235-L238 PolarHBondContact O-N 3.44Å; E236-L238 VanDerWaalsContact C-N 3.31Å; E236-L238 PolarHBondContact O-N 3.2Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.72Å; L238-F241 PolarHBondContact O-N 3.49Å; L238-L242 HydrophobicContact CG-CD1 4.5Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.42Å; L238-L248 HydrophobicContact CD1-CD1 3.6Å; L238-M313 HydrophobicContact CB-CE 3.91Å; L238-M313 HydrophobicContact CB-SD 3.94Å; L238-M313 HydrophobicContact CD1-CE 4.31Å; L238-M313 HydrophobicContact CD2-CE 3.7Å; L238-M313 HydrophobicContact CD2-SD 3.44Å; L238-M313 WeakPolarHBondContact CD2-SD 3.31Å; L238-M313 HydrophobicContact CG-CE 4.17Å; L238-M313 HydrophobicContact CG-SD 4.26Å; L238-I316 HydrophobicContact CD2-CB 3.93Å; L238-I316 HydrophobicContact CD2-CD1 4.37Å; L238-I316 HydrophobicContact CD2-CG2 3.67Å; L238-I316 HydrophobicContact CG-CG2 4.29Å; L238-L317 HydrophobicContact CD1-CD2 3.97Å; L238-L317 HydrophobicContact CD1-CG 4.48Å; L238-L317 HydrophobicContact CD2-CG 4.3Å
239R88Confident84.7Confident147 Ų14749.9 Ų49.956%0.55525%0.247SC*.Hα-helixtrans-61.1-38.7177.1-68.8178.2-178.8179.50.9111.9L235 E236 L242 A243L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 3.01Å; L235-R239 VanDerWaalsContact O-N 3.11Å; E236-R239 PolarHBondContact O-N 3.26Å; R239-L242 WeakPolarHBondContact O-CB 3.36Å; R239-L242 PolarHBondContact O-N 3.34Å; R239-A243 PolarHBondContact O-N 3.46Å
240L88.5Confident83.8Confident20 Ų2053.5 Ų53.511%0.10526%0.261CS..Hα-helixtrans-62.7-48175.7-166.4158.4000111I200 V203 E204 L207 E236 L237 L238 L242 A243 Y244I200-L240 HydrophobicContact CG2-CD1 3.93Å; V203-L240 HydrophobicContact CG1-CD2 4.4Å; E204-L240 HydrophobicContact CG-CD1 3.66Å; L207-L240 HydrophobicContact CD1-CD2 3.22Å; E236-L240 WeakPolarHBondContact O-CB 3.49Å; E236-L240 PolarHBondContact O-N 3.44Å; L237-L240 HydrophobicContact CD2-CD1 4.37Å; L237-L240 WeakPolarHBondContact O-CB 3.28Å; L237-L240 PolarHBondContact O-N 3.1Å; L238-L240 VanDerWaalsContact C-N 3.27Å; L238-L240 PolarHBondContact O-N 2.72Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.36Å; L240-A243 WeakPolarHBondContact O-CB 3.44Å; L240-A243 PolarHBondContact O-N 3.41Å; L240-A243 VanDerWaalsContact O-N 3.08Å; L240-Y244 HydrophobicContact CD2-CD2 3.71Å; L240-Y244 HydrophobicContact CD2-CE2 3.73Å; L240-Y244 HydrophobicContact CG-CD2 4.49Å; L240-Y244 HydrophobicContact CG-CE2 4.41Å; L240-Y244 WeakPolarHBondContact O-CD2 3.32Å; L240-Y244 PolarHBondContact O-N 3.16Å; L240-Y244 VanDerWaalsContact O-N 3.08Å
241F86.4Confident82.5Confident0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-64.2-33.2177.3-67.6-15.6000113V195 V203 L207 F225 V226 V229 L237 L238 Y244 N245 Y246 L248V195-F241 HydrophobicContact CG2-CE2 4.31Å; V195-F241 HydrophobicContact CG2-CZ 3.68Å; V203-F241 HydrophobicContact CG1-CE1 3.74Å; V203-F241 HydrophobicContact CG1-CZ 4.26Å; L207-F241 HydrophobicContact CD1-CD1 3.94Å; L207-F241 HydrophobicContact CD1-CE1 3.82Å; L207-F241 HydrophobicContact CD2-CE1 4.23Å; L207-F241 HydrophobicContact CG-CE1 4.4Å; F225-F241 HydrophobicContact CD2-CD2 4.05Å; F225-F241 HydrophobicContact CD2-CE1 4.33Å; F225-F241 AromaticContact CD2-CE2 3.35Å; F225-F241 HydrophobicContact CD2-CE2 3.35Å; F225-F241 AromaticContact CD2-CZ 3.51Å; F225-F241 HydrophobicContact CD2-CZ 3.51Å; F225-F241 HydrophobicContact CE2-CD2 4.2Å; F225-F241 HydrophobicContact CE2-CE1 4.39Å; F225-F241 AromaticContact CE2-CE2 3.9Å; F225-F241 HydrophobicContact CE2-CE2 3.9Å; F225-F241 AromaticContact CE2-CZ 3.99Å; F225-F241 HydrophobicContact CE2-CZ 3.99Å; F225-F241 HydrophobicContact CG-CE2 4.42Å; F225-F241 HydrophobicContact CG-CZ 4.39Å; V226-F241 HydrophobicContact CG2-CD2 4.14Å; V229-F241 HydrophobicContact CB-CE2 4.36Å; V229-F241 HydrophobicContact CG2-CD2 3.86Å; V229-F241 HydrophobicContact CG2-CE2 3.32Å; V229-F241 HydrophobicContact CG2-CZ 4.14Å; L237-F241 WeakPolarHBondContact O-CG 2.95Å; L237-F241 PolarHBondContact O-N 2.98Å; L238-F241 PolarHBondContact O-N 3.49Å; F241-Y244 CarbonylContact O-C 3.57Å; F241-Y244 PolarHBondContact O-N 2.93Å; F241-N245 PolarHBondContact O-N 2.9Å; F241-Y246 HydrophobicContact CB-CD2 4.22Å; F241-Y246 HydrophobicContact CD1-CD2 4.47Å; F241-Y246 PolarHBondContact O-N 3.38Å; F241-Y246 VanDerWaalsContact O-N 3.16Å; F241-L248 HydrophobicContact CB-CD2 4.21Å
242L83.2Confident81.3Confident38 Ų3855.5 Ų55.520%0.19927%0.274CS..Hα-helixtrans-62.2-43.9169.6-71.8172.6000112.1L238 R239 L240 Y244 N245 L248 I316 V320L238-L242 HydrophobicContact CG-CD1 4.5Å; L238-L242 WeakPolarHBondContact O-CG 3.35Å; L238-L242 PolarHBondContact O-N 3.42Å; R239-L242 WeakPolarHBondContact O-CB 3.36Å; R239-L242 PolarHBondContact O-N 3.34Å; L240-L242 VanDerWaalsContact C-N 3.28Å; L240-L242 PolarHBondContact O-N 3.36Å; L242-Y244 PolarHBondContact O-N 3.31Å; L242-N245 PolarHBondContact O-N 3.2Å; L242-N245 PolarHBondContact O-OD1 2.89Å; L242-L248 HydrophobicContact CD2-CD1 3.34Å; L242-L248 HydrophobicContact CD2-CG 4.21Å; L242-L248 HydrophobicContact CG-CD1 3.79Å; L242-I316 HydrophobicContact CD1-CG2 3.44Å; L242-I316 VanDerWaalsContact CD1-CG2 3.44Å; L242-V320 HydrophobicContact CD1-CG2 3.92Å; L242-V320 HydrophobicContact CD2-CB 4.13Å; L242-V320 HydrophobicContact CD2-CG1 3.67Å; L242-V320 HydrophobicContact CD2-CG2 3.51Å; L242-V320 HydrophobicContact CG-CG2 4.38Å
243A82.1Confident80Confident80 Ų8056 Ų5666%0.66128%0.278SS*.Hα-helixtrans-62.8-27.2176.400000112.8R239 L240 N245R239-A243 PolarHBondContact O-N 3.46Å; L240-A243 WeakPolarHBondContact O-CB 3.44Å; L240-A243 PolarHBondContact O-N 3.41Å; L240-A243 VanDerWaalsContact O-N 3.08Å; A243-N245 VanDerWaalsContact C-N 3.32Å
244Y81.1Confident78Confident84 Ų8460.9 Ų60.933%0.32929%0.29SS..THydrogen-bonded Turntrans-86.56.3172.6-82.3-99.6000114L207 R208 L240 F241 L242 Y246L207-Y244 HydrophobicContact CB-CD1 4.45Å; L207-Y244 HydrophobicContact CB-CE1 4.05Å; L207-Y244 HydrophobicContact CD1-CD2 4.03Å; L207-Y244 HydrophobicContact CD1-CE2 4.05Å; L207-Y244 HydrophobicContact CD1-CG 4.25Å; R208-Y244 WeakPolarHBondContact CG-OH 3.24Å; L240-Y244 HydrophobicContact CD2-CD2 3.71Å; L240-Y244 HydrophobicContact CD2-CE2 3.73Å; L240-Y244 HydrophobicContact CG-CD2 4.49Å; L240-Y244 HydrophobicContact CG-CE2 4.41Å; L240-Y244 WeakPolarHBondContact O-CD2 3.32Å; L240-Y244 PolarHBondContact O-N 3.16Å; L240-Y244 VanDerWaalsContact O-N 3.08Å; F241-Y244 CarbonylContact O-C 3.57Å; F241-Y244 PolarHBondContact O-N 2.93Å; L242-Y244 PolarHBondContact O-N 3.31Å; Y244-Y246 VanDerWaalsContact C-N 3.34Å; Y244-Y246 HydrophobicContact CG-CE2 4.4Å; Y244-Y246 PolarHBondContact O-N 2.97Å
245N74.5Confident75.8Confident144 Ų14464 Ų6477%0.7731%0.31SS*.THydrogen-bonded Turntrans55.840.2-179.9-71.5-26.5000114.2F241 L242 A243F241-N245 PolarHBondContact O-N 2.9Å; L242-N245 PolarHBondContact O-N 3.2Å; L242-N245 PolarHBondContact O-OD1 2.89Å; A243-N245 VanDerWaalsContact C-N 3.32Å
246Y76.2Confident73.8Confident37 Ų3762.5 Ų62.515%0.14530%0.303CS..  trans-72.6142.9172.2-81.5-74.9000112.2L207 W212 I214 F225 F241 Y244 L248L207-Y246 HydrophobicContact CD2-CE2 3.8Å; W212-Y246 HydrophobicContact CB-CE1 4.48Å; W212-Y246 WeakPolarHBondContact CB-OH 3.2Å; W212-Y246 WeakPolarHBondContact O-CE1 3.46Å; I214-Y246 HydrophobicContact CD1-CD1 3.41Å; I214-Y246 VanDerWaalsContact CD1-CD1 3.41Å; I214-Y246 HydrophobicContact CD1-CE1 4.37Å; I214-Y246 HydrophobicContact CD1-CG 3.91Å; I214-Y246 HydrophobicContact CG1-CD1 3.74Å; I214-Y246 HydrophobicContact CG1-CE1 4.25Å; F225-Y246 HydrophobicContact CE2-CD1 4.43Å; F225-Y246 HydrophobicContact CZ-CD1 4.13Å; F225-Y246 AromaticContact CZ-CE1 3.9Å; F225-Y246 HydrophobicContact CZ-CE1 3.9Å; F241-Y246 HydrophobicContact CB-CD2 4.22Å; F241-Y246 HydrophobicContact CD1-CD2 4.47Å; F241-Y246 PolarHBondContact O-N 3.38Å; F241-Y246 VanDerWaalsContact O-N 3.16Å; Y244-Y246 VanDerWaalsContact C-N 3.34Å; Y244-Y246 HydrophobicContact CG-CE2 4.4Å; Y244-Y246 PolarHBondContact O-N 2.97Å; Y246-L248 PolarHBondContact O-N 3.15Å
247D71.1Confident71.7Confident73 Ų7360.8 Ų60.839%0.3930%0.303SS..  trans-75.7106168.81786.2000109.2I214 D249 R250I214-D247 WeakPolarHBondContact CD1-O 3.5Å; D247-D249 PolarHBondContact OD1-N 3.24Å; D247-R250 VanDerWaalsContact OD2-CG 3.32Å; D247-R250 WeakPolarHBondContact OD2-CG 3.09Å; D247-R250 IonicContact OD2-CZ 3.53Å; D247-R250 IonicContact OD2-NE 3.49Å; D247-R250 PolarHBondContact OD2-NE 3.34Å
248L74.3Confident69.2Low4 Ų465.7 Ų65.72%0.02133%0.329CS..  trans-92.3-0.7-174.1-54.3-173.5000113.4V226 L238 F241 L242 Y246 P301 L317V226-L248 HydrophobicContact CB-CD2 4.43Å; V226-L248 HydrophobicContact CG1-CB 4.24Å; V226-L248 HydrophobicContact CG1-CD2 3.8Å; V226-L248 HydrophobicContact CG2-CD2 3.68Å; L238-L248 HydrophobicContact CD1-CD1 3.6Å; F241-L248 HydrophobicContact CB-CD2 4.21Å; L242-L248 HydrophobicContact CD2-CD1 3.34Å; L242-L248 HydrophobicContact CD2-CG 4.21Å; L242-L248 HydrophobicContact CG-CD1 3.79Å; Y246-L248 PolarHBondContact O-N 3.15Å; L248-P301 WeakPolarHBondContact O-CB 3.28Å; L248-P301 WeakPolarHBondContact O-CD 3.43Å; L248-P301 WeakPolarHBondContact O-CG 3.4Å; L248-L317 HydrophobicContact CB-CD2 3.88Å; L248-L317 HydrophobicContact CD1-CD2 3.75Å
249D67Low66.9Low24 Ų2468.3 Ų68.313%0.12834%0.342CS..  trans-86.7-15-177.2-90.8-58.1000114.8D247 P251 C322 F323D247-D249 PolarHBondContact OD1-N 3.24Å; D249-P251 WeakPolarHBondContact O-CD 3.29Å; D249-P251 VanDerWaalsContact O-N 3.14Å; D249-C322 VanDerWaalsContact CG-CB 3.5Å; D249-C322 WeakPolarHBondContact OD1-CA 3.18Å; D249-C322 WeakPolarHBondContact OD1-CB 3.32Å; D249-C322 PolarHBondContact OD1-SG 3.45Å; D249-C322 WeakPolarHBondContact OD2-CA 3.47Å; D249-C322 PolarHBondContact OD2-SG 3.48Å; D249-F323 PolarHBondContact OD1-N 3.43Å
250R70.7Confident64.5Low76 Ų7669.3 Ų69.329%0.28735%0.353SS..PPolyproline II helixtrans-62.9122.5-167-69.2-170.7171.5-135.617.2110.2I214 E215 H227 D247I214-R250 HydrophobicContact CG2-CB 4.26Å; E215-R250 IonicContact OE1-NH1 3.21Å; E215-R250 IonicContact OE2-CZ 3.78Å; E215-R250 VanDerWaalsContact OE2-CZ 3.28Å; E215-R250 IonicContact OE2-NH1 2.66Å; E215-R250 PolarHBondContact OE2-NH1 3.29Å; E215-R250 IonicContact OE2-NH2 3.94Å; E215-R250 PolarHBondContact OE2-NH2 2.89Å; H227-R250 PolarHBondContact CE1-O 3Å; D247-R250 VanDerWaalsContact OD2-CG 3.32Å; D247-R250 WeakPolarHBondContact OD2-CG 3.09Å; D247-R250 IonicContact OD2-CZ 3.53Å; D247-R250 IonicContact OD2-NE 3.49Å; D247-R250 PolarHBondContact OD2-NE 3.34Å
251P63.4Low61.9Low44 Ų4475.1 Ų75.129%0.28638%0.383SS..PPolyproline II helixtrans-67.7157.6178.828.2-33.8000110.6Y218 D249 E298Y218-P251 PolarHBondContact OH-O 2.95Å; Y218-P251 VanDerWaalsContact OH-O 3.08Å; D249-P251 WeakPolarHBondContact O-CD 3.29Å; D249-P251 VanDerWaalsContact O-N 3.14Å; P251-E298 HydrophobicContact CB-CB 3.76Å; P251-E298 HydrophobicContact CB-CG 4.07Å; P251-E298 HydrophobicContact CG-CB 4.49Å; P251-E298 HydrophobicContact CG-CG 4.41Å
252A63.4Low59.3Low16 Ų1679.3 Ų79.313%0.13241%0.405CS..PPolyproline II helixtrans-56.4142.7166.200000110.9G222 H227G222-A252 CarbonylContact O-C 3.43Å; G222-A252 WeakPolarHBondContact O-CA 3.28Å; G222-A252 WeakPolarHBondContact O-CB 3.43Å; H227-A252 PolarHBondContact NE2-N 3.14Å; H227-A252 VanDerWaalsContact NE2-N 3.13Å
253K61.4Low56.7Low91 Ų9181.6 Ų81.640%0.39642%0.421SS..PPolyproline II helixtrans-74.7136.7179.8-79.2-172.5178.1173.60111.7E215 Y218 G222 L255E215-K253 WeakPolarHBondContact O-CE 3.19Å; E215-K253 PolarHBondContact O-NZ 3.19Å; Y218-K253 HydrophobicContact CD1-CG 4.42Å; Y218-K253 HydrophobicContact CD2-CD 3.65Å; Y218-K253 HydrophobicContact CD2-CG 3.98Å; Y218-K253 HydrophobicContact CE1-CG 4.28Å; Y218-K253 HydrophobicContact CE2-CD 3.8Å; Y218-K253 HydrophobicContact CE2-CG 3.86Å; Y218-K253 HydrophobicContact CG-CD 4.2Å; Y218-K253 HydrophobicContact CG-CG 4.24Å; G222-K253 PolarHBondContact O-N 3.49Å; K253-L255 PolarHBondContact O-N 3.35Å
254R48.3Very low54.3Low181 Ų18182.7 Ų82.768%0.68342%0.423SS*.SBendtrans-63.9-33.1-175.8-135.9177.2-169.6171.94.1114.5
255L47Very low51.9Low118 Ų11882.6 Ų82.662%0.61844%0.435SS*.SBendtrans-132.7119173.3-83.5118.7000109.1K253K253-L255 PolarHBondContact O-N 3.35Å
256P49Very low49.9Very low17 Ų1778.9 Ų78.911%0.1142%0.415CS..  trans-60146.3171.6-16.827.8000110.4N220 N258 I259N220-P256 WeakPolarHBondContact O-CB 3.01Å; N220-P256 WeakPolarHBondContact O-CG 3.48Å; P256-N258 PolarHBondContact O-N 3.04Å; P256-I259 HydrophobicContact CB-CD1 4.38Å; P256-I259 HydrophobicContact CB-CG1 4.23Å; P256-I259 HydrophobicContact CG-CD1 3.73Å; P256-I259 HydrophobicContact CG-CG1 4.12Å; P256-I259 PolarHBondContact O-N 3.4Å
257P46.4Very low47.6Very low83 Ų8384 Ų8454%0.53945%0.445SS..THydrogen-bonded Turntrans-60.9-12.1-170.619.4-30.2000115.6
258N41.8Very low45.5Very low102 Ų10289.5 Ų89.555%0.54547%0.468SS..THydrogen-bonded Turntrans-113.89.4-173.5-70.6-19.7000115.7P256P256-N258 PolarHBondContact O-N 3.04Å
259I42Very low43.3Very low56 Ų5692.6 Ų92.629%0.28749%0.49SS..G310 helixtrans-77.8-18.6-176.9-65.9-163.6000114P256 L261 L262 T263P256-I259 HydrophobicContact CB-CD1 4.38Å; P256-I259 HydrophobicContact CB-CG1 4.23Å; P256-I259 HydrophobicContact CG-CD1 3.73Å; P256-I259 HydrophobicContact CG-CG1 4.12Å; P256-I259 PolarHBondContact O-N 3.4Å; I259-L261 PolarHBondContact O-N 3.25Å; I259-L262 PolarHBondContact O-N 2.89Å; I259-T263 HydrophobicContact CG2-CG2 3.61Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.01Å
260H36.2Very low41.5Very low167 Ų16796 Ų9677%0.77351%0.507SS*.G310 helixtrans-60.2-19.4179-92-70.9000114.7
261L34.2Very low39.5Very low142 Ų142100.8 Ų100.874%0.74354%0.537SS*.G310 helixtrans-93.9-18.5177.2-89.1145.5000114.2I259 S264I259-L261 PolarHBondContact O-N 3.25Å; L261-S264 PolarHBondContact O-OG 2.9Å
262L31.1Very low37.7Very low89 Ų89103.2 Ų103.247%0.46655%0.554SS.*THydrogen-bonded Turntrans-91.9-30-177-73.4165000111.7I259 S264 S265 L266I259-L262 PolarHBondContact O-N 2.89Å; L262-S264 PolarHBondContact O-N 2.86Å; L262-S265 PolarHBondContact O-N 3.18Å; L262-L266 HydrophobicContact CB-CD1 3.94Å; L262-L266 HydrophobicContact CD2-CD1 3.35Å; L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 WeakPolarHBondContact O-CB 3.23Å; L262-L266 VanDerWaalsContact O-CD1 3.3Å; L262-L266 WeakPolarHBondContact O-CD1 2.96Å; L262-L266 PolarHBondContact O-N 3.18Å
263T30.2Very low35.9Very low86 Ų86110.5 Ų110.553%0.52858%0.583SS.*THydrogen-bonded Turntrans-71.7-15.8-178.150.70000114.1I259I259-T263 HydrophobicContact CG2-CG2 3.61Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.01Å
264S30Very low34.2Very low102 Ų102112.2 Ų112.271%0.71360%0.601SS**THydrogen-bonded Turntrans-89.5-12.9174.751.50000114.3L261 L262L261-S264 PolarHBondContact O-OG 2.9Å; L262-S264 PolarHBondContact O-N 2.86Å
265S31.8Very low33Very low83 Ų83109.2 Ų109.258%0.5860%0.603SS**THydrogen-bonded Turntrans-126.4-7.4-177.671.90000115.5L262L262-S265 PolarHBondContact O-N 3.18Å
266L31.9Very low31.8Very low65 Ų65111.9 Ų111.934%0.3461%0.613SS.*  trans-100-1-176-90.884.8000116.5L262 H268 I270L262-L266 HydrophobicContact CB-CD1 3.94Å; L262-L266 HydrophobicContact CD2-CD1 3.35Å; L262-L266 HydrophobicContact CG-CD1 4.25Å; L262-L266 WeakPolarHBondContact O-CB 3.23Å; L262-L266 VanDerWaalsContact O-CD1 3.3Å; L262-L266 WeakPolarHBondContact O-CD1 2.96Å; L262-L266 PolarHBondContact O-N 3.18Å; L266-H268 PolarHBondContact O-N 3.33Å; L266-I270 HydrophobicContact CD1-CD1 4.49Å; L266-I270 HydrophobicContact CD2-CD1 3.65Å; L266-I270 HydrophobicContact CD2-CG1 4.44Å; L266-I270 HydrophobicContact CG-CD1 3.75Å; L266-I270 HydrophobicContact CG-CG1 4.44Å
267N28.5Very low30.7Very low144 Ų144117.2 Ų117.277%0.7765%0.645SS**THydrogen-bonded Turntrans-74.212.7-176.9-90.6-4.4000115.7
268H27.7Very low29.6Very low189 Ų189119.9 Ų119.988%0.87566%0.66SS**THydrogen-bonded Turntrans-147.64.7177.6-108.9-68.7000120.2L266L266-H268 PolarHBondContact O-N 3.33Å
269S26.8Very low29Very low69 Ų69121.9 Ų121.948%0.48367%0.669SS.*THydrogen-bonded Turntrans-146.60.6-173.174.60000120.3
270I30.3Very low28.1Very low95 Ų95124.7 Ų124.749%0.48769%0.689SS.*SBendtrans-106-8.3-172.5-58.6-167.5000114.2L266 S272L266-I270 HydrophobicContact CD1-CD1 4.49Å; L266-I270 HydrophobicContact CD2-CD1 3.65Å; L266-I270 HydrophobicContact CD2-CG1 4.44Å; L266-I270 HydrophobicContact CG-CD1 3.75Å; L266-I270 HydrophobicContact CG-CG1 4.44Å; I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.89Å
271I28.5Very low27.5Very low178 Ų178121.7 Ų121.791%0.91368%0.684SS**THydrogen-bonded Turntrans-81.6-7.9176.1-63.1176.2000112.8
272S25Very low27Very low94 Ų94119.8 Ų119.866%0.65768%0.683SS**THydrogen-bonded Turntrans-122.211.2-173.563.10000117.2I270I270-S272 VanDerWaalsContact C-N 3.32Å; I270-S272 PolarHBondContact O-N 2.89Å
273K25.4Very low26.8Very low170 Ų170122.6 Ų122.674%0.73970%0.695SS**SBendtrans-133.17.3-175.4-71.1-173.8179.6179.40117.4T275K273-T275 VanDerWaalsContact C-N 3.32Å; K273-T275 PolarHBondContact O-N 3Å
274T25.6Very low26.8Very low127 Ų127123.6 Ų123.678%0.77970%0.697SS**SBendtrans-89.716.2177.435.70000115
275T23Very low26.5Very low117 Ų117127 Ų12772%0.71870%0.701SS**SBendtrans-120.393163.555.30000108.9K273K273-T275 VanDerWaalsContact C-N 3.32Å; K273-T275 PolarHBondContact O-N 3Å
276Q23.1Very low26.1Very low175 Ų175127.6 Ų127.682%0.81871%0.706SS**  trans132.496.7163.8-74162.321.200110.9
277T25.5Very low25.9Very low128 Ų128130.9 Ų130.979%0.78572%0.719SS**  170102.9128.634.20000110.9
278T23.6Very low25.8Very low140 Ų140128.8 Ų128.886%0.85972%0.716SS**  trans33.288.7140.855.40000119
279I27.8Very low25.7Very low143 Ų143127 Ų12773%0.73371%0.713SS**  trans-115.9127.3148.8-61.3175.8000106.9
280T23.3Very low25.8Very low116 Ų116129.2 Ų129.271%0.71273%0.728SS**  trans-55.9124.5-175.9460000112.4S282T280-S282 PolarHBondContact O-N 2.86Å
281P25.4Very low25.8Very low104 Ų104130.4 Ų130.468%0.67573%0.726SS**  trans-91.889.6-177.334.3-30.1000110.7
282S22.5Very low25.8Very low102 Ų102125.6 Ų125.671%0.71371%0.713SS**SBendtrans-142.34166.660.60000115.4T280T280-S282 PolarHBondContact O-N 2.86Å
283M26.7Very low26.1Very low147 Ų147128.1 Ų128.172%0.72472%0.724SS**SBendtrans-130.713.1166.7-73.7-178.468.300113.2Y162Y162-M283 HydrophobicContact CE1-CE 4.34Å; Y162-M283 WeakPolarHBondContact OH-CE 3.48Å
284I29.8Very low26.4Very low108 Ų108126.3 Ų126.355%0.55472%0.721SS**  trans-1051.4177.8-60.1172.1000111.4S286I284-S286 VanDerWaalsContact C-N 3.33Å; I284-S286 PolarHBondContact O-N 3.08Å
285Q23.7Very low27.1Very low172 Ų172125.8 Ų125.880%0.80471%0.714SS**SBendtrans-91.865.1172.4-79.9174.5-22.900111.2
286S24.4Very low28Very low97 Ų97123.4 Ų123.468%0.67870%0.7SS**SBendtrans179.6128.1147.240.50000107.3I284I284-S286 VanDerWaalsContact C-N 3.33Å; I284-S286 PolarHBondContact O-N 3.08Å
287E27.4Very low29Very low133 Ų133122.5 Ų122.562%0.62169%0.694SS**  trans83.931.1176.5-48.8-176.4142.100118.5K197 N289K197-E287 IonicContact NZ-OE2 2.91Å; K197-E287 PolarHBondContact NZ-OE2 2.73Å; E287-N289 PolarHBondContact O-N 3.12Å
288S26.7Very low30.2Very low100 Ų100121.9 Ų121.970%0.69968%0.682SS**  trans-91.141.1156.450.20000112.3
289N26.2Very low32.2Very low153 Ų153117.4 Ų117.482%0.81865%0.651SS**  trans-90.3109.7168.4-87.6-10.9000109.7E287E287-N289 PolarHBondContact O-N 3.12Å
290S27.5Very low34.6Very low114 Ų114110.8 Ų110.880%0.79762%0.617SS**  trans57.571.9155.161.70000119
291R30.2Very low37.4Very low120 Ų120105.3 Ų105.345%0.45358%0.583SS.*  trans-106.285.3145.3-92.1-174.6168.1134.4-0.6109.7E223 D228 Y232 V293E223-R291 IonicContact OE2-NH2 2.72Å; D228-R291 IonicContact OD1-NH2 2.78Å; Y232-R291 VanDerWaalsContact OH-CZ 3.28Å; Y232-R291 PolarHBondContact OH-NH1 2.58Å; Y232-R291 PolarHBondContact OH-NH2 3.41Å; R291-V293 PolarHBondContact O-N 3.24Å
292A28.1Very low40.2Very low77 Ų77102.2 Ų102.264%0.63656%0.559SS**  trans-59.4126154.700000107.4I294A292-I294 HydrophobicContact CB-CG1 4.43Å; A292-I294 PolarHBondContact O-N 2.94Å
293V31.7Very low43Very low147 Ų147101.4 Ų101.489%0.89154%0.543SS*.  trans-55.899.4171177.10000108R291R291-V293 PolarHBondContact O-N 3.24Å
294I33Very low45.7Very low132 Ų13294.8 Ų94.868%0.67751%0.51SS*.  trans-127.899.1169.8-55.8177.6000108A292A292-I294 HydrophobicContact CB-CG1 4.43Å; A292-I294 PolarHBondContact O-N 2.94Å
295N38.7Very low48.3Very low116 Ų11689.6 Ų89.662%0.6248%0.484SS*.  trans-99.5173.4161.5-147.411.1000107.1
296P43.3Very low51.3Low67 Ų6785.7 Ų85.744%0.43547%0.468SS..  cis-132.8100.7-33.627.2-4.5000110
297F43.3Very low54.1Low156 Ų15685.8 Ų85.868%0.68446%0.458SS*.SBendtrans-138.9147.3165.9-73.6-78.9000108.6K299F297-K299 WeakPolarHBondContact O-CG 3.16Å; F297-K299 PolarHBondContact O-N 3.38Å
298E52Low56.7Low115 Ų11584.6 Ų84.654%0.53745%0.448SS..  trans-50.687.9174.9-73.1173.9175.900109.8P251 S300P251-E298 HydrophobicContact CB-CB 3.76Å; P251-E298 HydrophobicContact CB-CG 4.07Å; P251-E298 HydrophobicContact CG-CB 4.49Å; P251-E298 HydrophobicContact CG-CG 4.41Å; E298-S300 PolarHBondContact O-N 2.93Å
299K64.5Low59.4Low47 Ų4782.1 Ų82.120%0.20444%0.438CS..  trans-93100.8175.7-75.6-174.3-175.9-167.40105.2H227 F297 M304 E307H227-K299 PolarHBondContact NE2-O 3Å; H227-K299 VanDerWaalsContact NE2-O 3.17Å; F297-K299 WeakPolarHBondContact O-CG 3.16Å; F297-K299 PolarHBondContact O-N 3.38Å; K299-M304 HydrophobicContact CB-CE 4.43Å; K299-E307 WeakPolarHBondContact CD-OE2 3.04Å; K299-E307 WeakPolarHBondContact CE-OE2 3.32Å; K299-E307 IonicContact NZ-OE1 3.8Å; K299-E307 IonicContact NZ-OE2 2.75Å; K299-E307 PolarHBondContact NZ-OE2 3.35Å
300S79.1Confident62.4Low3 Ų376.5 Ų76.52%0.02141%0.407CS..  trans-54.3146.4162.481.40000108.1E298 F302 K303 M304E298-S300 PolarHBondContact O-N 2.93Å; S300-F302 PolarHBondContact O-N 3.48Å; S300-F302 VanDerWaalsContact O-N 3.1Å; S300-F302 PolarHBondContact OG-N 3.35Å; S300-K303 PolarHBondContact O-N 3.46Å; S300-K303 PolarHBondContact OG-N 3Å; S300-K303 VanDerWaalsContact OG-N 3.17Å; S300-M304 PolarHBondContact O-N 2.97Å
301P82.3Confident65.2Low1 Ų177.1 Ų77.11%0.00640%0.4CS..Hα-helixtrans-52.2-31.9174.9-33.842000112.9V226 V230 L248 M304 A305 L317V226-P301 HydrophobicContact CG1-CB 3.99Å; V226-P301 HydrophobicContact CG1-CG 3.82Å; V230-P301 HydrophobicContact CG2-CB 3.84Å; L248-P301 WeakPolarHBondContact O-CB 3.28Å; L248-P301 WeakPolarHBondContact O-CD 3.43Å; L248-P301 WeakPolarHBondContact O-CG 3.4Å; P301-M304 PolarHBondContact O-N 3.5Å; P301-A305 PolarHBondContact O-N 3.45Å; P301-L317 HydrophobicContact CB-CD1 4.25Å
302F82.7Confident67.9Low39 Ų3975.2 Ų75.217%0.17140%0.399CS..Hα-helixtrans-63.7-49.8173.8176.1-108.3000112.7S300 M304 A305 L306 A314 L317 A318 C322S300-F302 PolarHBondContact O-N 3.48Å; S300-F302 VanDerWaalsContact O-N 3.1Å; S300-F302 PolarHBondContact OG-N 3.35Å; F302-M304 VanDerWaalsContact C-N 3.27Å; F302-M304 PolarHBondContact O-N 3.26Å; F302-A305 WeakPolarHBondContact O-CB 3.49Å; F302-A305 PolarHBondContact O-N 3.08Å; F302-A305 VanDerWaalsContact O-N 3.11Å; F302-L306 HydrophobicContact CD1-CD1 4.22Å; F302-L306 HydrophobicContact CE1-CD1 3.55Å; F302-L306 HydrophobicContact CE1-CG 4.36Å; F302-L306 HydrophobicContact CE2-CD1 4.31Å; F302-L306 HydrophobicContact CE2-CG 4.35Å; F302-L306 HydrophobicContact CZ-CD1 3.62Å; F302-L306 HydrophobicContact CZ-CD2 4.42Å; F302-L306 HydrophobicContact CZ-CG 4.13Å; F302-L306 PolarHBondContact O-N 2.96Å; F302-L306 VanDerWaalsContact O-N 3.1Å; F302-A314 HydrophobicContact CD2-CB 4.35Å; F302-A314 HydrophobicContact CE2-CB 4.07Å; F302-A314 VanDerWaalsContact CE2-O 3.32Å; F302-A314 WeakPolarHBondContact CE2-O 3.43Å; F302-L317 HydrophobicContact CB-CB 4.28Å; F302-L317 HydrophobicContact CB-CD1 4.47Å; F302-L317 HydrophobicContact CD2-CB 3.99Å; F302-A318 HydrophobicContact CD2-CB 4.44Å; F302-A318 HydrophobicContact CE2-CB 3.83Å; F302-A318 HydrophobicContact CZ-CB 4.45Å; F302-C322 HydrophobicContact CB-CB 4.22Å
303K81Confident70.6Confident85 Ų8571.5 Ų71.537%0.3737%0.369SS..Hα-helixtrans-60.9-40.8177.5-177171.8-179.7175.50111.3S300 A305 L306 E307S300-K303 PolarHBondContact O-N 3.46Å; S300-K303 PolarHBondContact OG-N 3Å; S300-K303 VanDerWaalsContact OG-N 3.17Å; K303-A305 VanDerWaalsContact C-N 3.31Å; K303-A305 PolarHBondContact O-N 2.95Å; K303-L306 PolarHBondContact O-N 3.24Å; K303-E307 WeakPolarHBondContact CE-OE1 3.4Å; K303-E307 HydrophobicContact CG-CG 4.44Å; K303-E307 WeakPolarHBondContact O-CG 3.2Å; K303-E307 PolarHBondContact O-N 3.39Å
304M83.5Confident73.1Confident8 Ų864.8 Ų64.84%0.03933%0.329CS..Hα-helixtrans-61.5-38.1175.8-176.7-180-80.200112.4H227 V230 A231 K299 S300 P301 F302 R308H227-M304 HydrophobicContact CB-CE 4.31Å; H227-M304 HydrophobicContact CB-SD 4.28Å; V230-M304 HydrophobicContact CB-SD 4.2Å; V230-M304 HydrophobicContact CG1-CB 4.05Å; V230-M304 HydrophobicContact CG1-CG 3.84Å; V230-M304 HydrophobicContact CG1-SD 4.17Å; A231-M304 HydrophobicContact CB-SD 4.35Å; K299-M304 HydrophobicContact CB-CE 4.43Å; S300-M304 PolarHBondContact O-N 2.97Å; P301-M304 PolarHBondContact O-N 3.5Å; F302-M304 VanDerWaalsContact C-N 3.27Å; F302-M304 PolarHBondContact O-N 3.26Å; M304-R308 WeakPolarHBondContact O-CB 3.44Å; M304-R308 WeakPolarHBondContact O-CG 3.37Å; M304-R308 PolarHBondContact O-N 3.27Å; M304-R308 PolarHBondContact SD-NH1 3.08Å
305A85.7Confident75.5Confident0 Ų064.3 Ų64.30%032%0.318CS..Hα-helixtrans-66-42.2176.700000111.8V230 P301 F302 K303 R308 G309 H310 M313 A314 L317V230-A305 HydrophobicContact CG1-CB 3.73Å; P301-A305 PolarHBondContact O-N 3.45Å; F302-A305 WeakPolarHBondContact O-CB 3.49Å; F302-A305 PolarHBondContact O-N 3.08Å; F302-A305 VanDerWaalsContact O-N 3.11Å; K303-A305 VanDerWaalsContact C-N 3.31Å; K303-A305 PolarHBondContact O-N 2.95Å; A305-R308 PolarHBondContact O-N 3.36Å; A305-G309 PolarHBondContact O-N 3.36Å; A305-H310 HydrophobicContact CB-CB 4.43Å; A305-H310 PolarHBondContact O-N 2.89Å; A305-M313 HydrophobicContact CB-CB 4.12Å; A305-A314 HydrophobicContact CB-CB 3.92Å; A305-L317 HydrophobicContact CB-CD1 4.22Å
306L85.2Confident77.6Confident90 Ų9059.6 Ų59.647%0.47129%0.293SS..Hα-helixtrans-64.1-48.3176.3-69.2177.9000112.1F302 K303 R308 G309 A314F302-L306 HydrophobicContact CD1-CD1 4.22Å; F302-L306 HydrophobicContact CE1-CD1 3.55Å; F302-L306 HydrophobicContact CE1-CG 4.36Å; F302-L306 HydrophobicContact CE2-CD1 4.31Å; F302-L306 HydrophobicContact CE2-CG 4.35Å; F302-L306 HydrophobicContact CZ-CD1 3.62Å; F302-L306 HydrophobicContact CZ-CD2 4.42Å; F302-L306 HydrophobicContact CZ-CG 4.13Å; F302-L306 PolarHBondContact O-N 2.96Å; F302-L306 VanDerWaalsContact O-N 3.1Å; K303-L306 PolarHBondContact O-N 3.24Å; L306-R308 PolarHBondContact O-N 3.33Å; L306-G309 PolarHBondContact O-N 2.87Å; L306-A314 HydrophobicContact CD2-CB 3.7Å; L306-A314 HydrophobicContact CG-CB 4.19Å
307E83.8Confident79.5Confident99 Ų9956.4 Ų56.446%0.46327%0.272SS..Hα-helixtrans-61-31.6-180-73.9176.3-177.800112.8K299 K303K299-E307 WeakPolarHBondContact CD-OE2 3.04Å; K299-E307 WeakPolarHBondContact CE-OE2 3.32Å; K299-E307 IonicContact NZ-OE1 3.8Å; K299-E307 IonicContact NZ-OE2 2.75Å; K299-E307 PolarHBondContact NZ-OE2 3.35Å; K303-E307 WeakPolarHBondContact CE-OE1 3.4Å; K303-E307 HydrophobicContact CG-CG 4.44Å; K303-E307 WeakPolarHBondContact O-CG 3.2Å; K303-E307 PolarHBondContact O-N 3.39Å
308R83.4Confident81.1Confident108 Ų10850.6 Ų50.641%0.40825%0.253SS..THydrogen-bonded Turntrans-89.4-1.6177.3-69.9-169.8166.4118.7-2.7114A231 M304 A305 L306 H310A231-R308 VanDerWaalsContact CA-NH1 3.26Å; M304-R308 WeakPolarHBondContact O-CB 3.44Å; M304-R308 WeakPolarHBondContact O-CG 3.37Å; M304-R308 PolarHBondContact O-N 3.27Å; M304-R308 PolarHBondContact SD-NH1 3.08Å; A305-R308 PolarHBondContact O-N 3.36Å; L306-R308 PolarHBondContact O-N 3.33Å; R308-H310 VanDerWaalsContact C-N 3.27Å; R308-H310 PolarHBondContact O-CD2 3.45Å; R308-H310 PolarHBondContact O-N 3.08Å
309G83.2Confident82.3Confident48 Ų4849.6 Ų49.650%0.49525%0.248SC..THydrogen-bonded Turntrans7018.9-177.700000114.4A305 L306 L311A305-G309 PolarHBondContact O-N 3.36Å; L306-G309 PolarHBondContact O-N 2.87Å; G309-L311 PolarHBondContact O-N 3.26Å
310H88.8Confident82.7Confident35 Ų3548.9 Ų48.916%0.16225%0.248CC..  trans-79.971.3176.9-60.3166.7000110.1V230 A305 R308 D312 M313 A314V230-H310 PolarHBondContact O-CE1 3.19Å; V230-H310 PolarHBondContact O-ND1 2.81Å; A305-H310 HydrophobicContact CB-CB 4.43Å; A305-H310 PolarHBondContact O-N 2.89Å; R308-H310 VanDerWaalsContact C-N 3.27Å; R308-H310 PolarHBondContact O-CD2 3.45Å; R308-H310 PolarHBondContact O-N 3.08Å; H310-D312 PolarHBondContact O-N 3.5Å; H310-M313 HydrophobicContact CB-CB 3.89Å; H310-M313 HydrophobicContact CB-CG 3.98Å; H310-M313 WeakPolarHBondContact O-CB 3.4Å; H310-M313 PolarHBondContact O-N 3.3Å; H310-M313 VanDerWaalsContact O-N 3.11Å; H310-A314 PolarHBondContact O-N 3.06Å
311L85.3Confident81.8Confident127 Ų12749.7 Ų49.767%0.66526%0.256SS*.Hα-helixtrans-59-40.4-170.8-62.4178.9000113.7G309 A314 R315G309-L311 PolarHBondContact O-N 3.26Å; L311-A314 PolarHBondContact O-N 3.29Å; L311-R315 WeakPolarHBondContact O-CB 3.5Å; L311-R315 PolarHBondContact O-N 3.18Å
312D87.2Confident80.7Confident79 Ų7949.7 Ų49.742%0.42226%0.256SS..Hα-helixtrans-65.4-39.2176.8-74.6-37.1000112.3L235 H310 R315 I316L235-D312 HydrophobicContact CD1-CB 4.05Å; H310-D312 PolarHBondContact O-N 3.5Å; D312-R315 PolarHBondContact O-N 3.01Å; D312-R315 IonicContact OD1-CZ 3.9Å; D312-R315 IonicContact OD1-NH1 2.98Å; D312-R315 PolarHBondContact OD1-NH1 3.44Å; D312-R315 IonicContact OD1-NH2 2.81Å; D312-R315 PolarHBondContact OD1-NH2 3.07Å; D312-I316 WeakPolarHBondContact O-CG1 3.11Å; D312-I316 PolarHBondContact O-N 3.25Å
313M84.8Confident79.1Confident0 Ų053.5 Ų53.50%027%0.273CS..Hα-helixtrans-65.5-45.9175.4-67.5-73.7-75.500110.6V229 V230 N233 L235 L238 A305 H310 R315 I316 L317V229-M313 HydrophobicContact CG1-CE 3.58Å; V230-M313 HydrophobicContact CB-CE 4.34Å; V230-M313 HydrophobicContact CG2-CE 3.9Å; N233-M313 VanDerWaalsContact OD1-CG 3.26Å; N233-M313 WeakPolarHBondContact OD1-CG 3.45Å; L235-M313 HydrophobicContact CB-SD 4.22Å; L235-M313 HydrophobicContact CD1-CG 4.08Å; L235-M313 HydrophobicContact CD1-SD 3.57Å; L235-M313 VanDerWaalsContact CD1-SD 3.57Å; L235-M313 HydrophobicContact CG-SD 4.45Å; L238-M313 HydrophobicContact CB-CE 3.91Å; L238-M313 HydrophobicContact CB-SD 3.94Å; L238-M313 HydrophobicContact CD1-CE 4.31Å; L238-M313 HydrophobicContact CD2-CE 3.7Å; L238-M313 HydrophobicContact CD2-SD 3.44Å; L238-M313 WeakPolarHBondContact CD2-SD 3.31Å; L238-M313 HydrophobicContact CG-CE 4.17Å; L238-M313 HydrophobicContact CG-SD 4.26Å; A305-M313 HydrophobicContact CB-CB 4.12Å; H310-M313 HydrophobicContact CB-CB 3.89Å; H310-M313 HydrophobicContact CB-CG 3.98Å; H310-M313 WeakPolarHBondContact O-CB 3.4Å; H310-M313 PolarHBondContact O-N 3.3Å; H310-M313 VanDerWaalsContact O-N 3.11Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.22Å; M313-I316 PolarHBondContact O-N 3.35Å; M313-L317 WeakPolarHBondContact O-CB 3.33Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.14Å; M313-L317 PolarHBondContact O-N 2.94Å
314A84.3Confident76.9Confident6 Ų653.2 Ų53.25%0.0528%0.281CS..Hα-helixtrans-60.8-41.717700000111.3F302 A305 L306 H310 L311 L317 A318F302-A314 HydrophobicContact CD2-CB 4.35Å; F302-A314 HydrophobicContact CE2-CB 4.07Å; F302-A314 VanDerWaalsContact CE2-O 3.32Å; F302-A314 WeakPolarHBondContact CE2-O 3.43Å; A305-A314 HydrophobicContact CB-CB 3.92Å; L306-A314 HydrophobicContact CD2-CB 3.7Å; L306-A314 HydrophobicContact CG-CB 4.19Å; H310-A314 PolarHBondContact O-N 3.06Å; L311-A314 PolarHBondContact O-N 3.29Å; A314-L317 PolarHBondContact O-N 3.48Å; A314-A318 WeakPolarHBondContact O-CB 3.49Å; A314-A318 PolarHBondContact O-N 3.17Å
315R84.2Confident74.4Confident122 Ų12256.2 Ų56.246%0.4630%0.3SS..Hα-helixtrans-59.6-51.2175.5-176.1179.266.9-117.1-7.6111.5L311 D312 M313 L317 A318 E319L311-R315 WeakPolarHBondContact O-CB 3.5Å; L311-R315 PolarHBondContact O-N 3.18Å; D312-R315 PolarHBondContact O-N 3.01Å; D312-R315 IonicContact OD1-CZ 3.9Å; D312-R315 IonicContact OD1-NH1 2.98Å; D312-R315 PolarHBondContact OD1-NH1 3.44Å; D312-R315 IonicContact OD1-NH2 2.81Å; D312-R315 PolarHBondContact OD1-NH2 3.07Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.22Å; R315-L317 VanDerWaalsContact C-N 3.33Å; R315-L317 PolarHBondContact O-N 2.88Å; R315-A318 PolarHBondContact O-N 3.13Å; R315-E319 WeakPolarHBondContact O-CG 3.3Å; R315-E319 PolarHBondContact O-N 3.48Å
316I81.9Confident71.5Confident16 Ų1665.7 Ų65.78%0.08234%0.344CS..Hα-helixtrans-61.5-43179.6-68.1171.6000110.9L235 L238 L242 D312 M313 E319 V320L235-I316 HydrophobicContact CD1-CD1 3.58Å; L235-I316 HydrophobicContact CG-CD1 4.28Å; L238-I316 HydrophobicContact CD2-CB 3.93Å; L238-I316 HydrophobicContact CD2-CD1 4.37Å; L238-I316 HydrophobicContact CD2-CG2 3.67Å; L238-I316 HydrophobicContact CG-CG2 4.29Å; L242-I316 HydrophobicContact CD1-CG2 3.44Å; L242-I316 VanDerWaalsContact CD1-CG2 3.44Å; D312-I316 WeakPolarHBondContact O-CG1 3.11Å; D312-I316 PolarHBondContact O-N 3.25Å; M313-I316 PolarHBondContact O-N 3.35Å; I316-E319 PolarHBondContact O-N 2.75Å; I316-V320 WeakPolarHBondContact O-CG2 3.42Å; I316-V320 PolarHBondContact O-N 2.68Å; I316-V320 VanDerWaalsContact O-N 3.15Å
317L82.5Confident68.7Low0 Ų067.5 Ų67.50%035%0.353CS..Hα-helixtrans-63.9-42.3177.3-72.2169.2000111.5V230 L238 L248 P301 F302 A305 M313 A314 R315 E319 V320 G321 C322V230-L317 HydrophobicContact CG2-CD1 4.03Å; L238-L317 HydrophobicContact CD1-CD2 3.97Å; L238-L317 HydrophobicContact CD1-CG 4.48Å; L238-L317 HydrophobicContact CD2-CG 4.3Å; L248-L317 HydrophobicContact CB-CD2 3.88Å; L248-L317 HydrophobicContact CD1-CD2 3.75Å; P301-L317 HydrophobicContact CB-CD1 4.25Å; F302-L317 HydrophobicContact CB-CB 4.28Å; F302-L317 HydrophobicContact CB-CD1 4.47Å; F302-L317 HydrophobicContact CD2-CB 3.99Å; A305-L317 HydrophobicContact CB-CD1 4.22Å; M313-L317 WeakPolarHBondContact O-CB 3.33Å; M313-L317 VanDerWaalsContact O-CG 3.3Å; M313-L317 WeakPolarHBondContact O-CG 3.14Å; M313-L317 PolarHBondContact O-N 2.94Å; A314-L317 PolarHBondContact O-N 3.48Å; R315-L317 VanDerWaalsContact C-N 3.33Å; R315-L317 PolarHBondContact O-N 2.88Å; L317-E319 PolarHBondContact O-N 3.47Å; L317-V320 PolarHBondContact O-N 2.94Å; L317-V320 VanDerWaalsContact O-N 3.17Å; L317-G321 PolarHBondContact O-N 3.37Å; L317-C322 HydrophobicContact CB-CB 4.17Å; L317-C322 WeakPolarHBondContact O-CB 3.33Å; L317-C322 PolarHBondContact O-N 3.17Å; L317-C322 VanDerWaalsContact O-N 3.09Å
318A77.9Confident65.8Low34 Ų3467.7 Ų67.728%0.28136%0.363SS..Hα-helixtrans-61.9-41.6175.200000112.2F302 A314 R315 V320 G321F302-A318 HydrophobicContact CD2-CB 4.44Å; F302-A318 HydrophobicContact CE2-CB 3.83Å; F302-A318 HydrophobicContact CZ-CB 4.45Å; A314-A318 WeakPolarHBondContact O-CB 3.49Å; A314-A318 PolarHBondContact O-N 3.17Å; R315-A318 PolarHBondContact O-N 3.13Å; A318-V320 PolarHBondContact O-N 3.36Å; A318-G321 PolarHBondContact O-N 3.03Å; A318-G321 VanDerWaalsContact O-N 3.16Å
319E76.7Confident62.9Low95 Ų9569.3 Ų69.344%0.44438%0.378SS..Hα-helixtrans-60.8-32.6175.5-75.5173.1-165.800112R315 I316 L317 G321 L378R315-E319 WeakPolarHBondContact O-CG 3.3Å; R315-E319 PolarHBondContact O-N 3.48Å; I316-E319 PolarHBondContact O-N 2.75Å; L317-E319 PolarHBondContact O-N 3.47Å; E319-G321 PolarHBondContact O-N 3.22Å; E319-L378 WeakPolarHBondContact O-CD1 3.42Å; E319-L378 VanDerWaalsContact O-CD2 3.25Å; E319-L378 WeakPolarHBondContact O-CD2 3.38Å
320V72.4Confident60Low31 Ų3173.8 Ų73.819%0.18839%0.386CS..THydrogen-bonded Turntrans-82.3-1.8-177.9-179.60000112.4L242 I316 L317 A318L242-V320 HydrophobicContact CD1-CG2 3.92Å; L242-V320 HydrophobicContact CD2-CB 4.13Å; L242-V320 HydrophobicContact CD2-CG1 3.67Å; L242-V320 HydrophobicContact CD2-CG2 3.51Å; L242-V320 HydrophobicContact CG-CG2 4.38Å; I316-V320 WeakPolarHBondContact O-CG2 3.42Å; I316-V320 PolarHBondContact O-N 2.68Å; I316-V320 VanDerWaalsContact O-N 3.15Å; L317-V320 PolarHBondContact O-N 2.94Å; L317-V320 VanDerWaalsContact O-N 3.17Å; A318-V320 PolarHBondContact O-N 3.36Å
321G62.1Low56.9Low20 Ų2077 Ų7721%0.20641%0.412CS..THydrogen-bonded Turntrans89.627.3178.800000113.2L317 A318 E319 F323L317-G321 PolarHBondContact O-N 3.37Å; A318-G321 PolarHBondContact O-N 3.03Å; A318-G321 VanDerWaalsContact O-N 3.16Å; E319-G321 PolarHBondContact O-N 3.22Å; G321-F323 VanDerWaalsContact C-N 3.31Å; G321-F323 PolarHBondContact O-N 3.36Å
322C59.2Low54Low1 Ų176.9 Ų76.91%0.00741%0.412CS..  trans-73.575-175.9-69.30000115.8D249 F302 L317D249-C322 VanDerWaalsContact CG-CB 3.5Å; D249-C322 WeakPolarHBondContact OD1-CA 3.18Å; D249-C322 WeakPolarHBondContact OD1-CB 3.32Å; D249-C322 PolarHBondContact OD1-SG 3.45Å; D249-C322 WeakPolarHBondContact OD2-CA 3.47Å; D249-C322 PolarHBondContact OD2-SG 3.48Å; F302-C322 HydrophobicContact CB-CB 4.22Å; L317-C322 HydrophobicContact CB-CB 4.17Å; L317-C322 WeakPolarHBondContact O-CB 3.33Å; L317-C322 PolarHBondContact O-N 3.17Å; L317-C322 VanDerWaalsContact O-N 3.09Å
323F48.4Very low50.9Low120 Ų12077 Ų7753%0.52642%0.419SS..  trans-125.375-176-61.1-75.7000112.6D249 G321D249-F323 PolarHBondContact OD1-N 3.43Å; G321-F323 VanDerWaalsContact C-N 3.31Å; G321-F323 PolarHBondContact O-N 3.36Å
324C34.1Very low48.2Very low78 Ų7885.2 Ų85.253%0.52746%0.461SS..  trans-113.272.3165.1-780000110.4
325T31.8Very low45.4Very low72 Ų7289.3 Ų89.344%0.44249%0.49SS..  trans-155.9119.9156.852.30000109.4L327T325-L327 PolarHBondContact O-N 3.38Å
326H24.6Very low42.5Very low199 Ų19987.4 Ų87.492%0.92150%0.495SS*.  trans-55.593.7150-85.3-85.6000107.1P328H326-P328 WeakPolarHBondContact O-CD 3.19Å
327L25.5Very low39.9Very low128 Ų12892.9 Ų92.967%0.6753%0.529SS*.  trans-72.1113.8159-85.8149000105.3T325 I329T325-L327 PolarHBondContact O-N 3.38Å; L327-I329 HydrophobicContact CB-CG1 4.29Å; L327-I329 PolarHBondContact O-N 3.23Å
328P22.6Very low37.1Very low102 Ų10299.1 Ų99.166%0.66257%0.571SS**  trans-65.7101.4154.529.5-26.2000104H326 H330H326-P328 WeakPolarHBondContact O-CD 3.19Å; P328-H330 PolarHBondContact O-N 3.46Å
329I24.4Very low34.5Very low142 Ų142101.5 Ų101.573%0.72859%0.591SS**  trans-67.978.5165.1-60.4161.6000104.9L327 S331L327-I329 HydrophobicContact CB-CG1 4.29Å; L327-I329 PolarHBondContact O-N 3.23Å; I329-S331 PolarHBondContact O-N 2.75Å
330H21.7Very low32Very low143 Ų143102.2 Ų102.266%0.66261%0.607SS**  trans-73.5103.1153.6-94.1-71.4000105.1P328 N332 S333P328-H330 PolarHBondContact O-N 3.46Å; H330-N332 PolarHBondContact O-N 2.79Å; H330-S333 PolarHBondContact O-OG 3.44Å
331S23.2Very low29.7Very low102 Ų102106.7 Ų106.771%0.71364%0.639SS**THydrogen-bonded Turntrans-55.414.5176.652.50000115.7I329I329-S331 PolarHBondContact O-N 2.75Å
332N23.6Very low27.9Very low124 Ų124111.4 Ų111.466%0.66367%0.669SS**THydrogen-bonded Turntrans-123.915.1-170.2-71.11.6000114.6H330 S335H330-N332 PolarHBondContact O-N 2.79Å; N332-S335 PolarHBondContact O-OG 3.49Å
333S23.9Very low26.4Very low82 Ų82116.9 Ų116.957%0.57371%0.707SS**SBendtrans-117.76.1-179.444.10000115.4H330H330-S333 PolarHBondContact O-OG 3.44Å
334I27.4Very low25.3Very low172 Ų172116.3 Ų116.388%0.88272%0.718SS**SBendtrans-94.6-5167.8-63.8173.9000111.2
335S24.5Very low25Very low93 Ų93117.4 Ų117.465%0.6573%0.727SS**SBendtrans-94.14.5179.655.10000115.3N332N332-S335 PolarHBondContact O-OG 3.49Å
336S23.4Very low24.7Very low82 Ų82118.8 Ų118.857%0.57374%0.739SS**SBendtrans-118.812.3-170.667.70000116.3
337V27.1Very low24.8Very low130 Ų130115.4 Ų115.479%0.78873%0.733SS**SBendtrans-103.63.8173.6-176.80000112.4
338C24.2Very low24.8Very low131 Ų131114.6 Ų114.689%0.88574%0.738SS**SBendtrans-117.217.7173-65.20000113.9
339A23.3Very low25Very low84 Ų84114.1 Ų114.169%0.69474%0.742SS**  trans-120.470.4-179.400000111.3
340S23.9Very low25Very low111 Ų111112.5 Ų112.578%0.77674%0.744SS**  trans-156.372.2165.6580000111.2
341S25.1Very low25.2Very low124 Ų124110.9 Ų110.987%0.86775%0.749SS**  trans-163.979.2154.744.90000109.8
342S24.8Very low25.4Very low120 Ų120111.3 Ų111.384%0.83975%0.752SS**  trans-112.498.4170.1550000110.6
343S26.3Very low25.5Very low116 Ų116110.5 Ų110.581%0.81176%0.756SS**  trans178.6123.4150.555.20000105.5
344S26.4Very low25.6Very low107 Ų107112.3 Ų112.375%0.74877%0.768SS**  cis-172.2163.620.540.90000108.6
345S27.6Very low25.6Very low102 Ų102107.8 Ų107.871%0.71376%0.764SS**  trans70110.9159.155.20000121.3
346S25.1Very low25.7Very low100 Ų100110.8 Ų110.870%0.69977%0.773SS**  3.6138127.354.10000116.9
347T26.4Very low25.8Very low128 Ų128113.9 Ų113.979%0.78578%0.783SS**  cis-173.7151.539.118.40000109.7
348S25.8Very low25.9Very low111 Ų111113.9 Ų113.978%0.77678%0.783SS**  trans63.1112.8147.563.10000123.2
349A26Very low26Very low92 Ų92112.4 Ų112.476%0.7677%0.77SS**  88.9122.1119.100000122.5
350S26.1Very low26.2Very low108 Ų108114 Ų11476%0.75577%0.767SS**  trans80.4105.1143.344.90000121.9
351S25.7Very low26.5Very low110 Ų110114.4 Ų114.477%0.76977%0.765SS**  trans61.6109.3131.760.80000120.5
352S26Very low26.7Very low111 Ų111115 Ų11578%0.77676%0.759SS**  171.7143.7102.944.80000113.2
353S25.6Very low27Very low107 Ų107112.7 Ų112.775%0.74874%0.739SS**  trans58.5111.1158.4620000120.9
354S26.8Very low27.2Very low119 Ų119112.4 Ų112.483%0.83273%0.728SS**  163.7136.5113.349.30000113.3
355G27Very low27.3Very low77 Ų77113.7 Ų113.779%0.79472%0.721SS**  trans3798.4153.300000121
356N27.7Very low27.4Very low157 Ų157111.5 Ų111.584%0.8471%0.706SS**  trans-99.9106.9161.8-83.1-17000111.2V358N356-V358 PolarHBondContact O-N 2.99Å
357N26Very low27.7Very low146 Ų146110.7 Ų110.778%0.78170%0.697SS**  trans-66.2106.4161.3-81.7-20.1000109.6
358V27.5Very low27.8Very low130 Ų130110.3 Ų110.379%0.78869%0.688SS**  trans-108.566.5166.1-175.90000107.7N356N356-V358 PolarHBondContact O-N 2.99Å
359T27Very low27.9Very low101 Ų101113 Ų11362%0.6269%0.685SS**  trans-150.939.5179.452.40000115.5T363T359-T363 PolarHBondContact O-OG1 3.11Å
360D27.7Very low28Very low116 Ų116112.5 Ų112.562%0.6267%0.67SS**SBendtrans-131.1-5.7179.3-80.8-42.8000117.9
361T30.5Very low28.2Very low120 Ų120109.7 Ų109.774%0.73665%0.651SS**SBendtrans-94.2-27.3177.751.30000113.6T363T361-T363 VanDerWaalsContact C-N 3.34Å
362N28.4Very low28.3Very low138 Ų138111.5 Ų111.574%0.73865%0.647SS**Hα-helixtrans-77.6-18.6176.8-74.7-22.4000113.2S366N362-S366 WeakPolarHBondContact O-CB 3.48Å; N362-S366 PolarHBondContact O-N 3.23Å; N362-S366 PolarHBondContact O-OG 3.33Å
363T31.4Very low28.4Very low70 Ų70111 Ų11143%0.42963%0.634SS.*Hα-helixtrans-75.8-29-179.6-10.80000112.6T359 T361 S366 T367T359-T363 PolarHBondContact O-OG1 3.11Å; T361-T363 VanDerWaalsContact C-N 3.34Å; T363-S366 PolarHBondContact O-OG 2.95Å; T363-S366 VanDerWaalsContact O-OG 3.14Å; T363-T367 VanDerWaalsContact O-CG2 3.29Å; T363-T367 WeakPolarHBondContact O-CG2 3.36Å; T363-T367 PolarHBondContact O-N 3.18Å; T363-T367 PolarHBondContact O-OG1 2.83Å
364I30.2Very low28.7Very low111 Ų111109.7 Ų109.757%0.56962%0.618SS**Hα-helixtrans-79.2-32.8178.2-60.7174.2000111.2T367 M368I364-T367 VanDerWaalsContact CA-OG1 3.32Å; I364-T367 WeakPolarHBondContact CA-OG1 3.43Å; I364-T367 PolarHBondContact O-OG1 3.36Å; I364-M368 PolarHBondContact O-N 2.86Å
365H29Very low28.8Very low133 Ų133108.1 Ų108.162%0.61660%0.598SS**Hα-helixtrans-80.5-30.2177.7-138.334.2000112.6M368 K369H365-M368 PolarHBondContact O-N 3.29Å; H365-K369 PolarHBondContact O-N 3.18Å
366S29.4Very low28.9Very low56 Ų56110.5 Ų110.539%0.39259%0.588SS.*Hα-helixtrans-70.1-34.6171.672.90000112.5N362 T363 K369 N370N362-S366 WeakPolarHBondContact O-CB 3.48Å; N362-S366 PolarHBondContact O-N 3.23Å; N362-S366 PolarHBondContact O-OG 3.33Å; T363-S366 PolarHBondContact O-OG 2.95Å; T363-S366 VanDerWaalsContact O-OG 3.14Å; S366-K369 PolarHBondContact O-N 3.43Å; S366-N370 WeakPolarHBondContact O-CB 3.22Å; S366-N370 PolarHBondContact O-N 2.76Å
367T31.4Very low29Very low83 Ų83107.1 Ų107.151%0.50957%0.57SS.*Hα-helixtrans-67.8-32.2173.844.80000112.9T363 I364 S371T363-T367 VanDerWaalsContact O-CG2 3.29Å; T363-T367 WeakPolarHBondContact O-CG2 3.36Å; T363-T367 PolarHBondContact O-N 3.18Å; T363-T367 PolarHBondContact O-OG1 2.83Å; I364-T367 VanDerWaalsContact CA-OG1 3.32Å; I364-T367 WeakPolarHBondContact CA-OG1 3.43Å; I364-T367 PolarHBondContact O-OG1 3.36Å; T367-S371 PolarHBondContact O-N 3.14Å
368M27.6Very low29.2Very low120 Ų120102.8 Ų102.859%0.59155%0.547SS*.Hα-helixtrans-74.9-31.6173-75.9-163.9164.500114.6I364 H365 S371I364-M368 PolarHBondContact O-N 2.86Å; H365-M368 PolarHBondContact O-N 3.29Å; M368-S371 PolarHBondContact O-N 2.89Å; M368-S371 PolarHBondContact O-OG 3.33Å
369K28.7Very low29.4Very low167 Ų16799.9 Ų99.973%0.72653%0.526SS*.Hα-helixtrans-73.6-34.5170.9-84.6-177.5175.9178.50112H365 S366 S371H365-K369 PolarHBondContact O-N 3.18Å; S366-K369 PolarHBondContact O-N 3.43Å; K369-S371 VanDerWaalsContact C-N 3.3Å; K369-S371 PolarHBondContact O-N 3.16Å
370N28.6Very low29.6Very low83 Ų8398.4 Ų98.444%0.44452%0.517SS..Hα-helixtrans-67.7-29.6172.5-78.9-20000112.2S366 H372 L373 I374S366-N370 WeakPolarHBondContact O-CB 3.22Å; S366-N370 PolarHBondContact O-N 2.76Å; N370-H372 VanDerWaalsContact C-N 3.29Å; N370-H372 PolarHBondContact O-N 3.29Å; N370-L373 PolarHBondContact O-N 3.15Å; N370-I374 HydrophobicContact CB-CD1 4.05Å; N370-I374 WeakPolarHBondContact O-CB 3.48Å; N370-I374 WeakPolarHBondContact O-CD1 3.31Å; N370-I374 WeakPolarHBondContact O-CG1 3.44Å; N370-I374 PolarHBondContact O-N 3.5Å
371S29Very low29.7Very low49 Ų49102.4 Ų102.434%0.34352%0.524SS..Hα-helixtrans-61.2-34.8179.376.50000112.9T367 M368 K369 H375T367-S371 PolarHBondContact O-N 3.14Å; M368-S371 PolarHBondContact O-N 2.89Å; M368-S371 PolarHBondContact O-OG 3.33Å; K369-S371 VanDerWaalsContact C-N 3.3Å; K369-S371 PolarHBondContact O-N 3.16Å; S371-H375 VanDerWaalsContact O-CB 3.32Å; S371-H375 WeakPolarHBondContact O-CB 2.91Å; S371-H375 PolarHBondContact O-N 3.1Å
372H28.4Very low29.9Very low148 Ų148104.3 Ų104.369%0.68552%0.517SS*.Hα-helixtrans-71.1-38.6177.7-124.5-61.1000112.9N370 H375 Q376N370-H372 VanDerWaalsContact C-N 3.29Å; N370-H372 PolarHBondContact O-N 3.29Å; H372-H375 PolarHBondContact O-N 3.17Å; H372-Q376 PolarHBondContact O-N 3.02Å; H372-Q376 VanDerWaalsContact O-N 3.13Å
373L28.9Very low30.1Very low99 Ų99100.7 Ų100.752%0.51849%0.494SS..Hα-helixtrans-73.4-35.4175.5-16473.1000111.3N370 Q376 N377N370-L373 PolarHBondContact O-N 3.15Å; L373-Q376 PolarHBondContact O-N 3.02Å; L373-N377 WeakPolarHBondContact O-CB 3.14Å; L373-N377 PolarHBondContact O-N 3.37Å; L373-N377 PolarHBondContact O-ND2 2.66Å; L373-N377 VanDerWaalsContact O-ND2 3.15Å
374I31.9Very low30Very low81 Ų81103 Ų10342%0.41550%0.503SS..Hα-helixtrans-64.3-41.8170.4-72.5168.5000109.4N370 Q376 N377 L378N370-I374 HydrophobicContact CB-CD1 4.05Å; N370-I374 WeakPolarHBondContact O-CB 3.48Å; N370-I374 WeakPolarHBondContact O-CD1 3.31Å; N370-I374 WeakPolarHBondContact O-CG1 3.44Å; N370-I374 PolarHBondContact O-N 3.5Å; I374-Q376 PolarHBondContact O-N 3.44Å; I374-N377 CarbonylContact O-C 3.55Å; I374-N377 PolarHBondContact O-N 2.99Å; I374-L378 HydrophobicContact CB-CD1 4.49Å; I374-L378 HydrophobicContact CG2-CD1 3.27Å; I374-L378 VanDerWaalsContact O-CB 3.28Å; I374-L378 WeakPolarHBondContact O-CB 3.48Å; I374-L378 WeakPolarHBondContact O-CD1 3.41Å; I374-L378 PolarHBondContact O-N 2.63Å
375H29.4Very low30.2Very low86 Ų86100.3 Ų100.340%0.39850%0.503SS..Hα-helixtrans-62.5-40.9176.5-139.6-76.8000112.5S371 H372 L379S371-H375 VanDerWaalsContact O-CB 3.32Å; S371-H375 WeakPolarHBondContact O-CB 2.91Å; S371-H375 PolarHBondContact O-N 3.1Å; H372-H375 PolarHBondContact O-N 3.17Å; H375-L379 WeakPolarHBondContact O-CB 3.31Å; H375-L379 WeakPolarHBondContact O-CD1 3.36Å; H375-L379 WeakPolarHBondContact O-CG 3.28Å; H375-L379 PolarHBondContact O-N 3.48Å
376Q27.7Very low30.3Very low126 Ų126101.1 Ų101.159%0.58951%0.511SS*.Hα-helixtrans-66.9-44.2172.3-81.4-171.5-11.400111.7H372 L373 I374 L378 L379 T380H372-Q376 PolarHBondContact O-N 3.02Å; H372-Q376 VanDerWaalsContact O-N 3.13Å; L373-Q376 PolarHBondContact O-N 3.02Å; I374-Q376 PolarHBondContact O-N 3.44Å; Q376-L378 VanDerWaalsContact C-N 3.34Å; Q376-L378 PolarHBondContact O-N 3.04Å; Q376-L379 PolarHBondContact O-N 3.48Å; Q376-T380 WeakPolarHBondContact O-CB 3.25Å; Q376-T380 PolarHBondContact O-N 3.45Å; Q376-T380 PolarHBondContact O-OG1 3.49Å
377N29.5Very low30.7Very low87 Ų87102.3 Ų102.347%0.46551%0.513SS..Hα-helixtrans-69-29.1178.6-78.3-37.8000113.3L373 I374 R381L373-N377 WeakPolarHBondContact O-CB 3.14Å; L373-N377 PolarHBondContact O-N 3.37Å; L373-N377 PolarHBondContact O-ND2 2.66Å; L373-N377 VanDerWaalsContact O-ND2 3.15Å; I374-N377 CarbonylContact O-C 3.55Å; I374-N377 PolarHBondContact O-N 2.99Å; N377-R381 VanDerWaalsContact O-CB 3.31Å; N377-R381 WeakPolarHBondContact O-CB 2.84Å; N377-R381 WeakPolarHBondContact O-CG 3.14Å; N377-R381 PolarHBondContact O-N 3.45Å
378L32Very low31.2Very low55 Ų55105 Ų10529%0.28852%0.52SS..Hα-helixtrans-80.4-35.7175.5-92.9137.1000112.8E319 I374 Q376 T380 R381 R382E319-L378 WeakPolarHBondContact O-CD1 3.42Å; E319-L378 VanDerWaalsContact O-CD2 3.25Å; E319-L378 WeakPolarHBondContact O-CD2 3.38Å; I374-L378 HydrophobicContact CB-CD1 4.49Å; I374-L378 HydrophobicContact CG2-CD1 3.27Å; I374-L378 VanDerWaalsContact O-CB 3.28Å; I374-L378 WeakPolarHBondContact O-CB 3.48Å; I374-L378 WeakPolarHBondContact O-CD1 3.41Å; I374-L378 PolarHBondContact O-N 2.63Å; Q376-L378 VanDerWaalsContact C-N 3.34Å; Q376-L378 PolarHBondContact O-N 3.04Å; L378-T380 PolarHBondContact O-N 3.13Å; L378-R381 PolarHBondContact O-N 2.99Å; L378-R382 WeakPolarHBondContact O-CB 2.92Å; L378-R382 PolarHBondContact O-N 2.73Å
379L31.6Very low31.9Very low69 Ų69104.2 Ų104.236%0.36152%0.521SS..Hα-helixtrans-58.3-45.1165.5-78.9162.5000109.4H375 Q376 R382 Y383H375-L379 WeakPolarHBondContact O-CB 3.31Å; H375-L379 WeakPolarHBondContact O-CD1 3.36Å; H375-L379 WeakPolarHBondContact O-CG 3.28Å; H375-L379 PolarHBondContact O-N 3.48Å; Q376-L379 PolarHBondContact O-N 3.48Å; L379-R382 PolarHBondContact O-N 3.21Å; L379-Y383 WeakPolarHBondContact O-CD2 3.39Å; L379-Y383 PolarHBondContact O-N 2.93Å
380T30Very low32.5Very low69 Ų69103.7 Ų103.742%0.42352%0.519SS..Hα-helixtrans-68.3-38179.6-440000112.6Q376 L378 N384Q376-T380 WeakPolarHBondContact O-CB 3.25Å; Q376-T380 PolarHBondContact O-N 3.45Å; Q376-T380 PolarHBondContact O-OG1 3.49Å; L378-T380 PolarHBondContact O-N 3.13Å; T380-N384 VanDerWaalsContact O-CB 3.32Å; T380-N384 WeakPolarHBondContact O-CB 3.35Å; T380-N384 PolarHBondContact O-N 3.41Å; T380-N384 PolarHBondContact O-ND2 3.16Å
381R31.1Very low33.2Very low201 Ų201102.9 Ų102.976%0.75852%0.52SS*.Hα-helixtrans-75.2-33.6174.4-80-178.4177.2-179.9-0.1113.8N377 L378 Y383 N384 G385N377-R381 VanDerWaalsContact O-CB 3.31Å; N377-R381 WeakPolarHBondContact O-CB 2.84Å; N377-R381 WeakPolarHBondContact O-CG 3.14Å; N377-R381 PolarHBondContact O-N 3.45Å; L378-R381 PolarHBondContact O-N 2.99Å; R381-Y383 PolarHBondContact O-N 2.79Å; R381-N384 PolarHBondContact O-N 3.32Å; R381-G385 PolarHBondContact O-N 3.48Å
382R33.4Very low34Very low160 Ų160103.1 Ų103.160%0.60452%0.517SS*.Hα-helixtrans-55.7-32.7172-111-180166.7154.9-1.5111.2L378 L379L378-R382 WeakPolarHBondContact O-CB 2.92Å; L378-R382 PolarHBondContact O-N 2.73Å; L379-R382 PolarHBondContact O-N 3.21Å
383Y32Very low34.8Very low62 Ų62100.5 Ų100.524%0.24351%0.505CS..Hα-helixtrans-98.6-26.6-177.5-76.9-70.4000114.6L379 R381 L421 F424L379-Y383 WeakPolarHBondContact O-CD2 3.39Å; L379-Y383 PolarHBondContact O-N 2.93Å; R381-Y383 PolarHBondContact O-N 2.79Å; Y383-L421 HydrophobicContact CD1-CD1 3.97Å; Y383-L421 HydrophobicContact CG-CD1 3.99Å; Y383-F424 HydrophobicContact CD1-CE1 4.33Å; Y383-F424 HydrophobicContact CE1-CD1 4.05Å; Y383-F424 AromaticContact CE1-CE1 3.37Å; Y383-F424 HydrophobicContact CE1-CE1 3.37Å; Y383-F424 HydrophobicContact CE1-CZ 4.09Å; Y383-F424 AromaticContact CZ-CE1 3.78Å
384N30.6Very low35.8Very low118 Ų118103.5 Ų103.563%0.63151%0.514SS*.Hα-helixtrans-85.8-9-178.7-73.2-13.8000114.8T380 R381T380-N384 VanDerWaalsContact O-CB 3.32Å; T380-N384 WeakPolarHBondContact O-CB 3.35Å; T380-N384 PolarHBondContact O-N 3.41Å; T380-N384 PolarHBondContact O-ND2 3.16Å; R381-N384 PolarHBondContact O-N 3.32Å
385G33.4Very low36.8Very low55 Ų55105.5 Ų105.557%0.56752%0.516SS*.SBendtrans-89.2-24.5-167.800000117.8R381R381-G385 PolarHBondContact O-N 3.48Å
386L31.7Very low37.6Very low150 Ų150103.6 Ų103.679%0.78551%0.512SS*.  trans-165.9102.9-176-105.7137.2000111.1
387L37.7Very low38.6Very low81 Ų81104 Ų10442%0.42451%0.508SS..  trans-144.464.2170.4-126.5135.2000109V389 L392L387-V389 PolarHBondContact O-N 3.33Å; L387-V389 VanDerWaalsContact O-N 3.1Å; L387-L392 HydrophobicContact CD1-CD1 3.71Å; L387-L392 HydrophobicContact CD2-CB 3.28Å; L387-L392 HydrophobicContact CD2-CD1 3.63Å; L387-L392 HydrophobicContact CD2-CD2 3.73Å; L387-L392 HydrophobicContact CD2-CG 3.67Å; L387-L392 HydrophobicContact CG-CB 3.97Å; L387-L392 HydrophobicContact CG-CD1 3.95Å; L387-L392 HydrophobicContact CG-CG 4.41Å
388E42.7Very low39.8Very low140 Ų140103.8 Ų103.865%0.65450%0.503SS*.  trans-54.6118.9147.7-82.4-166.5162.200106.3K390 S391E388-K390 PolarHBondContact O-N 3.17Å; E388-S391 PolarHBondContact O-N 3.15Å
389V41.7Very low40.6Very low102 Ų102103.1 Ų103.162%0.61850%0.501SS*.Hα-helixtrans-45.5-28.8-175177.50000112.9L387 Q393L387-V389 PolarHBondContact O-N 3.33Å; L387-V389 VanDerWaalsContact O-N 3.1Å; V389-Q393 WeakPolarHBondContact O-CG 3.32Å; V389-Q393 PolarHBondContact O-N 3.47Å
390K40.4Very low41.4Very low156 Ų156102.5 Ų102.568%0.67850%0.498SS*.Hα-helixtrans-65.7-35.5176.3-68.1-179.2178.5173.60114.2E388 K394E388-K390 PolarHBondContact O-N 3.17Å; K390-K394 PolarHBondContact O-N 3.34Å
391S45Very low42.3Very low67 Ų67105.6 Ų105.647%0.46950%0.501SS..Hα-helixtrans-74.3-37.6-179.9-63.80000111.4E388 K394 W395E388-S391 PolarHBondContact O-N 3.15Å; S391-K394 PolarHBondContact O-N 2.91Å; S391-W395 WeakPolarHBondContact O-CB 3.42Å; S391-W395 PolarHBondContact O-N 3.09Å
392L44.6Very low43.1Very low53 Ų53101 Ų10128%0.27749%0.489SS..Hα-helixtrans-68.9-42.7172.6-167.190.2000111.6L387 K394 W395 C396 F424L387-L392 HydrophobicContact CD1-CD1 3.71Å; L387-L392 HydrophobicContact CD2-CB 3.28Å; L387-L392 HydrophobicContact CD2-CD1 3.63Å; L387-L392 HydrophobicContact CD2-CD2 3.73Å; L387-L392 HydrophobicContact CD2-CG 3.67Å; L387-L392 HydrophobicContact CG-CB 3.97Å; L387-L392 HydrophobicContact CG-CD1 3.95Å; L387-L392 HydrophobicContact CG-CG 4.41Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 3.25Å; L392-W395 CarbonylContact O-C 3.56Å; L392-W395 PolarHBondContact O-N 3.43Å; L392-C396 PolarHBondContact O-N 3.4Å; L392-C396 PolarHBondContact O-SG 3.45Å; L392-C396 VanDerWaalsContact O-SG 3.34Å; L392-F424 HydrophobicContact CD1-CE2 4.27Å
393Q45.5Very low43.5Very low93 Ų9399.2 Ų99.244%0.43549%0.487SS..Hα-helixtrans-59.7-39.8173.8-80.5-177.1-14.800112.5V389 W395 R397V389-Q393 WeakPolarHBondContact O-CG 3.32Å; V389-Q393 PolarHBondContact O-N 3.47Å; Q393-W395 VanDerWaalsContact C-N 3.34Å; Q393-R397 WeakPolarHBondContact O-CB 3.32Å; Q393-R397 WeakPolarHBondContact O-CG 3.32Å; Q393-R397 PolarHBondContact O-N 3.11Å
394K51.1Low44Very low163 Ų163100.2 Ų100.271%0.70950%0.496SS*.Hα-helixtrans-63.9-39.7173-84.3-179.5178.5176.70111.9K390 S391 L392 K398K390-K394 PolarHBondContact O-N 3.34Å; S391-K394 PolarHBondContact O-N 2.91Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 3.25Å; K394-K398 VanDerWaalsContact O-CB 3.29Å; K394-K398 WeakPolarHBondContact O-CB 3.17Å; K394-K398 PolarHBondContact O-N 2.85Å
395W51.1Low44.6Very low123 Ų12396.4 Ų96.447%0.46649%0.485SS..Hα-helixtrans-69.4-45.4177.6-171.887000112.3S391 L392 Q393 R397 K398 V399 F424S391-W395 WeakPolarHBondContact O-CB 3.42Å; S391-W395 PolarHBondContact O-N 3.09Å; L392-W395 CarbonylContact O-C 3.56Å; L392-W395 PolarHBondContact O-N 3.43Å; Q393-W395 VanDerWaalsContact C-N 3.34Å; W395-R397 PolarHBondContact O-N 3.45Å; W395-K398 CarbonylContact O-C 3.55Å; W395-K398 WeakPolarHBondContact O-CA 3.41Å; W395-K398 VanDerWaalsContact O-CB 3.26Å; W395-K398 WeakPolarHBondContact O-CB 3.43Å; W395-K398 PolarHBondContact O-N 2.91Å; W395-V399 HydrophobicContact CD2-CG2 3.94Å; W395-V399 HydrophobicContact CE3-CG2 4.03Å; W395-V399 HydrophobicContact CH2-CG2 3.85Å; W395-V399 HydrophobicContact CZ2-CG2 3.75Å; W395-V399 HydrophobicContact CZ3-CG2 3.96Å; W395-V399 WeakPolarHBondContact O-CG2 3.22Å; W395-V399 PolarHBondContact O-N 2.97Å; W395-F424 HydrophobicContact CE3-CE2 4.2Å; W395-F424 HydrophobicContact CE3-CZ 4.25Å; W395-F424 HydrophobicContact CH2-CE2 4.21Å; W395-F424 AromaticContact CH2-CZ 3.68Å; W395-F424 HydrophobicContact CH2-CZ 3.68Å; W395-F424 AromaticContact CZ3-CE2 3.49Å; W395-F424 HydrophobicContact CZ3-CE2 3.49Å; W395-F424 VanDerWaalsContact CZ3-CE2 3.49Å; W395-F424 AromaticContact CZ3-CZ 3.42Å; W395-F424 HydrophobicContact CZ3-CZ 3.42Å; W395-F424 VanDerWaalsContact CZ3-CZ 3.42Å
396C46.7Very low44.9Very low45 Ų45102.2 Ų102.230%0.30450%0.495SS..Hα-helixtrans-59.1-45.2173.9-67.40000111.6L392 K398 V399 I400L392-C396 PolarHBondContact O-N 3.4Å; L392-C396 PolarHBondContact O-SG 3.45Å; L392-C396 VanDerWaalsContact O-SG 3.34Å; C396-K398 PolarHBondContact O-N 2.93Å; C396-V399 PolarHBondContact O-N 3.34Å; C396-I400 WeakPolarHBondContact O-CB 3.3Å; C396-I400 VanDerWaalsContact O-CG1 3.23Å; C396-I400 WeakPolarHBondContact O-CG1 3.26Å; C396-I400 PolarHBondContact O-N 3.05Å
397R50Low45.3Very low135 Ų135106.8 Ų106.851%0.50950%0.502SS..Hα-helixtrans-61.1-31.6172.7-76.6-179.6176.3177.9-0.1112.6Q393 W395 R401Q393-R397 WeakPolarHBondContact O-CB 3.32Å; Q393-R397 WeakPolarHBondContact O-CG 3.32Å; Q393-R397 PolarHBondContact O-N 3.11Å; W395-R397 PolarHBondContact O-N 3.45Å; R397-R401 WeakPolarHBondContact O-CB 3.34Å; R397-R401 WeakPolarHBondContact O-CG 3.38Å; R397-R401 PolarHBondContact O-N 3.18Å; R397-R401 VanDerWaalsContact O-N 3.11Å
398K53Low45.3Very low82 Ų82107.3 Ų107.336%0.35750%0.504SS..Hα-helixtrans-72.9-41.6178.2-172.4-178.8-179.5-178.70111.7Y213 K394 W395 C396 R401 Q402Y213-K398 WeakPolarHBondContact OH-CE 3.48Å; K394-K398 VanDerWaalsContact O-CB 3.29Å; K394-K398 WeakPolarHBondContact O-CB 3.17Å; K394-K398 PolarHBondContact O-N 2.85Å; W395-K398 CarbonylContact O-C 3.55Å; W395-K398 WeakPolarHBondContact O-CA 3.41Å; W395-K398 VanDerWaalsContact O-CB 3.26Å; W395-K398 WeakPolarHBondContact O-CB 3.43Å; W395-K398 PolarHBondContact O-N 2.91Å; C396-K398 PolarHBondContact O-N 2.93Å; K398-R401 WeakPolarHBondContact O-CB 3.16Å; K398-R401 PolarHBondContact O-N 3.26Å; K398-Q402 VanDerWaalsContact O-CG 3.28Å; K398-Q402 WeakPolarHBondContact O-CG 3.48Å; K398-Q402 PolarHBondContact O-N 3.47Å; K398-Q402 VanDerWaalsContact O-N 3.14Å
399V49.7Very low45.2Very low42 Ų42103 Ų10326%0.25549%0.485SS..Hα-helixtrans-70.4-42.9176.7175.80000111.3W395 C396 R401 Q402 H403W395-V399 HydrophobicContact CD2-CG2 3.94Å; W395-V399 HydrophobicContact CE3-CG2 4.03Å; W395-V399 HydrophobicContact CH2-CG2 3.85Å; W395-V399 HydrophobicContact CZ2-CG2 3.75Å; W395-V399 HydrophobicContact CZ3-CG2 3.96Å; W395-V399 WeakPolarHBondContact O-CG2 3.22Å; W395-V399 PolarHBondContact O-N 2.97Å; C396-V399 PolarHBondContact O-N 3.34Å; V399-R401 VanDerWaalsContact C-N 3.3Å; V399-R401 PolarHBondContact O-N 3.29Å; V399-Q402 WeakPolarHBondContact O-CB 3.39Å; V399-Q402 PolarHBondContact O-N 3.1Å; V399-H403 PolarHBondContact O-N 3.17Å
400I49.1Very low45Very low55 Ų55107.8 Ų107.828%0.28250%0.501SS..Hα-helixtrans-58.8-42.6173.5-69.7168.6000110.5C396 Q402 H403 L404 I409C396-I400 WeakPolarHBondContact O-CB 3.3Å; C396-I400 VanDerWaalsContact O-CG1 3.23Å; C396-I400 WeakPolarHBondContact O-CG1 3.26Å; C396-I400 PolarHBondContact O-N 3.05Å; I400-Q402 VanDerWaalsContact C-N 3.3Å; I400-Q402 PolarHBondContact O-N 3.47Å; I400-H403 PolarHBondContact O-N 3.43Å; I400-L404 HydrophobicContact CG2-CD1 3.82Å; I400-L404 WeakPolarHBondContact O-CB 3.16Å; I400-L404 PolarHBondContact O-N 3.11Å; I400-I409 HydrophobicContact CG2-CG1 4.46Å
401R47Very low44.9Very low134 Ų134104.8 Ų104.851%0.50650%0.5SS..Hα-helixtrans-61.6-34.6174.2-83.2174.5179155.5-1.3113.8R397 K398 V399 I409R397-R401 WeakPolarHBondContact O-CB 3.34Å; R397-R401 WeakPolarHBondContact O-CG 3.38Å; R397-R401 PolarHBondContact O-N 3.18Å; R397-R401 VanDerWaalsContact O-N 3.11Å; K398-R401 WeakPolarHBondContact O-CB 3.16Å; K398-R401 PolarHBondContact O-N 3.26Å; V399-R401 VanDerWaalsContact C-N 3.3Å; V399-R401 PolarHBondContact O-N 3.29Å; R401-I409 HydrophobicContact CG-CD1 3.35Å
402Q48.8Very low44.5Very low106 Ų106105.5 Ų105.550%0.49550%0.498SS..Hα-helixtrans-73.8-31.5-177.5-77.9172-19.500112.7K398 V399 I400K398-Q402 VanDerWaalsContact O-CG 3.28Å; K398-Q402 WeakPolarHBondContact O-CG 3.48Å; K398-Q402 PolarHBondContact O-N 3.47Å; K398-Q402 VanDerWaalsContact O-N 3.14Å; V399-Q402 WeakPolarHBondContact O-CB 3.39Å; V399-Q402 PolarHBondContact O-N 3.1Å; I400-Q402 VanDerWaalsContact C-N 3.3Å; I400-Q402 PolarHBondContact O-N 3.47Å
403H42.1Very low44Very low121 Ų121107.8 Ų107.856%0.5652%0.516SS*.Hα-helixtrans-104.4-24.4-176-71.2-73.2000114.8V399 I400V399-H403 PolarHBondContact O-N 3.17Å; I400-H403 PolarHBondContact O-N 3.43Å
404L42.9Very low43.4Very low83 Ų83110.1 Ų110.144%0.43553%0.531SS..Hα-helixtrans-110.7-5.4-172.2-69.9155.2000115.1I400I400-L404 HydrophobicContact CG2-CD1 3.82Å; I400-L404 WeakPolarHBondContact O-CB 3.16Å; I400-L404 PolarHBondContact O-N 3.11Å
405G42Very low42.6Very low38 Ų38108 Ų10839%0.39253%0.526SS..  trans67.5163.6-177.600000114R407G405-R407 PolarHBondContact O-N 2.82Å
406F41.3Very low41.7Very low178 Ų178107.8 Ų107.878%0.78154%0.541SS*.G310 helixtrans-60.7-21.5-167.9-110.1-91000115.6
407R38.4Very low41.2Very low246 Ų246110.9 Ų110.993%0.92855%0.553SS**G310 helixtrans-80.6-17.1-167.2-80.2-171.4175.5-175.5-1.1116.1G405G405-R407 PolarHBondContact O-N 2.82Å
408L38.8Very low40.3Very low91 Ų91110.6 Ų110.648%0.47657%0.569SS.*G310 helixtrans-94.2-0.2-172.1-111.1130.6000115.2
409I40.7Very low39.7Very low51 Ų51110.3 Ų110.326%0.26257%0.574SS.*SBendtrans-89.8-23.9-169-63.2173.6000113.1I400 R401 S411I400-I409 HydrophobicContact CG2-CG1 4.46Å; R401-I409 HydrophobicContact CG-CD1 3.35Å; I409-S411 PolarHBondContact O-N 3.15Å
410E37.4Very low39.2Very low201 Ų201111.3 Ų111.394%0.93958%0.582SS**THydrogen-bonded Turntrans-72.1-13.8-177.6-70.7-175.6165.700113.6
411S38.8Very low38.6Very low94 Ų94112.4 Ų112.466%0.65759%0.588SS**THydrogen-bonded Turntrans-105.20.1-179.462.20000115.2I409 P413I409-S411 PolarHBondContact O-N 3.15Å; S411-P413 VanDerWaalsContact O-CD 3.32Å; S411-P413 WeakPolarHBondContact O-CD 3.07Å
412L35.1Very low38Very low81 Ų81113.7 Ų113.742%0.42460%0.598SS.*  trans-87113.6-178-90.3154.1000110.9
413P34.6Very low37.6Very low102 Ų102112.5 Ų112.566%0.66260%0.595SS**  trans-63.2150.7172.226-30.8000110S411 L415S411-P413 VanDerWaalsContact O-CD 3.32Å; S411-P413 WeakPolarHBondContact O-CD 3.07Å; P413-L415 PolarHBondContact O-N 3.25Å
414L33.3Very low37.8Very low142 Ų142108.2 Ų108.274%0.74358%0.575SS**  trans-54102.4175.9-74.3162.6000109.4P416L414-P416 VanDerWaalsContact O-CD 3.25Å; L414-P416 WeakPolarHBondContact O-CD 3.41Å; L414-P416 VanDerWaalsContact O-N 3.14Å
415L35.1Very low37.4Very low117 Ų117107.6 Ų107.661%0.61357%0.572SS**  trans-54117.6176.6-80.3163.5000109.6P413 I417P413-L415 PolarHBondContact O-N 3.25Å; L415-I417 HydrophobicContact CD2-CD1 4.03Å; L415-I417 PolarHBondContact O-N 2.79Å
416P32Very low37.5Very low120 Ų120109.2 Ų109.278%0.77957%0.571SS**  trans-95.785.4175.434-23.4000107.7L414L414-P416 VanDerWaalsContact O-CD 3.25Å; L414-P416 WeakPolarHBondContact O-CD 3.41Å; L414-P416 VanDerWaalsContact O-N 3.14Å
417I34.7Very low37.8Very low110 Ų110103.8 Ų103.856%0.56455%0.55SS*.  trans-142.1124.3178.6-40.9174.9000112.8L415 V419L415-I417 HydrophobicContact CD2-CD1 4.03Å; L415-I417 PolarHBondContact O-N 2.79Å; I417-V419 HydrophobicContact CB-CG2 3.79Å; I417-V419 HydrophobicContact CG2-CB 4.49Å; I417-V419 HydrophobicContact CG2-CG2 3.44Å; I417-V419 VanDerWaalsContact CG2-CG2 3.44Å; I417-V419 PolarHBondContact O-N 2.78Å
418P32Very low38Very low129 Ų12998.8 Ų98.884%0.83853%0.531SS*.  trans-81.799.7155.432.8-22.9000107.3
419V39.4Very low38.1Very low76 Ų7699.8 Ų99.846%0.46154%0.537SS..  trans-89.8129.1-179-174.40000108.9I417 D423I417-V419 HydrophobicContact CB-CG2 3.79Å; I417-V419 HydrophobicContact CG2-CB 4.49Å; I417-V419 HydrophobicContact CG2-CG2 3.44Å; I417-V419 VanDerWaalsContact CG2-CG2 3.44Å; I417-V419 PolarHBondContact O-N 2.78Å; V419-D423 HydrophobicContact CG1-CB 3.6Å
420S40.7Very low38.3Very low62 Ų6299.5 Ų99.543%0.43454%0.535SS..  trans-69.6147.2173.687.10000109.9K422 D423 F424S420-K422 PolarHBondContact O-N 3.49Å; S420-D423 PolarHBondContact O-N 3.3Å; S420-D423 PolarHBondContact OG-OD2 3.5Å; S420-F424 PolarHBondContact O-N 2.8Å
421L35Very low38.4Very low78 Ų7894.6 Ų94.641%0.40852%0.515SS..Hα-helixtrans-53.8-25.7-178.6-169.773.9000113.3Y383 L425Y383-L421 HydrophobicContact CD1-CD1 3.97Å; Y383-L421 HydrophobicContact CG-CD1 3.99Å; L421-L425 PolarHBondContact O-N 3Å
422K35.3Very low38.5Very low161 Ų16195.2 Ų95.270%0.750%0.503SS*.Hα-helixtrans-69.1-39.2178.8-163.4179.6179.8-172.30112.2S420 F424 L425S420-K422 PolarHBondContact O-N 3.49Å; K422-F424 VanDerWaalsContact C-N 3.31Å; K422-L425 PolarHBondContact O-N 2.72Å
423D40.2Very low38.5Very low81 Ų8194 Ų9443%0.43350%0.501SS..Hα-helixtrans-74.9-25.7179.9-50.1-45.8000111.4V419 S420V419-D423 HydrophobicContact CG1-CB 3.6Å; S420-D423 PolarHBondContact O-N 3.3Å; S420-D423 PolarHBondContact OG-OD2 3.5Å
424F45.5Very low38.8Very low31 Ų3195.2 Ų95.214%0.13650%0.501CS..Hα-helixtrans-71.6-36.2174.7179.6-90.6000113.4Y383 L392 W395 S420 K422 L426 L427Y383-F424 HydrophobicContact CD1-CE1 4.33Å; Y383-F424 HydrophobicContact CE1-CD1 4.05Å; Y383-F424 AromaticContact CE1-CE1 3.37Å; Y383-F424 HydrophobicContact CE1-CE1 3.37Å; Y383-F424 HydrophobicContact CE1-CZ 4.09Å; Y383-F424 AromaticContact CZ-CE1 3.78Å; L392-F424 HydrophobicContact CD1-CE2 4.27Å; W395-F424 HydrophobicContact CE3-CE2 4.2Å; W395-F424 HydrophobicContact CE3-CZ 4.25Å; W395-F424 HydrophobicContact CH2-CE2 4.21Å; W395-F424 AromaticContact CH2-CZ 3.68Å; W395-F424 HydrophobicContact CH2-CZ 3.68Å; W395-F424 AromaticContact CZ3-CE2 3.49Å; W395-F424 HydrophobicContact CZ3-CE2 3.49Å; W395-F424 VanDerWaalsContact CZ3-CE2 3.49Å; W395-F424 AromaticContact CZ3-CZ 3.42Å; W395-F424 HydrophobicContact CZ3-CZ 3.42Å; W395-F424 VanDerWaalsContact CZ3-CZ 3.42Å; S420-F424 PolarHBondContact O-N 2.8Å; K422-F424 VanDerWaalsContact C-N 3.31Å; F424-L426 VanDerWaalsContact C-N 3.31Å; F424-L427 PolarHBondContact O-N 3.38Å
425L36.3Very low39Very low71 Ų7196 Ų9637%0.37250%0.495SS..Hα-helixtrans-67.9-33.9176.8-72.2171.9000111.9L421 K422 L427 R428L421-L425 PolarHBondContact O-N 3Å; K422-L425 PolarHBondContact O-N 2.72Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 2.94Å; L425-R428 PolarHBondContact O-N 3.4Å
426L44Very low39Very low72 Ų7295.9 Ų95.938%0.37750%0.495SS..Hα-helixtrans-62.8-37.6174.7-81.9154.9000112.3F424 R428 D429 I430 V461F424-L426 VanDerWaalsContact C-N 3.31Å; L426-R428 VanDerWaalsContact C-N 3.34Å; L426-R428 PolarHBondContact O-N 2.86Å; L426-D429 PolarHBondContact O-N 3.33Å; L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.39Å; L426-V461 HydrophobicContact CD1-CG1 3.98Å; L426-V461 HydrophobicContact CD1-CG2 4.05Å; L426-V461 HydrophobicContact CD2-CG1 3.74Å; L426-V461 HydrophobicContact CD2-CG2 4.39Å
427L47Very low38.9Very low64 Ų6496.1 Ų96.134%0.33549%0.49SS..Hα-helixtrans-66.5-28.7178.2-85.4162.6000114.5F424 L425 I430 W432 I459F424-L427 PolarHBondContact O-N 3.38Å; L425-L427 VanDerWaalsContact C-N 3.33Å; L425-L427 PolarHBondContact O-N 2.94Å; L427-I430 HydrophobicContact CD2-CD1 4.03Å; L427-W432 HydrophobicContact CD2-CZ2 4.12Å; L427-I459 HydrophobicContact CD2-CD1 3.47Å; L427-I459 VanDerWaalsContact CD2-CD1 3.47Å; L427-I459 HydrophobicContact CG-CD1 4.09Å
428R42.5Very low38.8Very low140 Ų14094 Ų9453%0.52850%0.495SS..Hα-helixtrans-74.2-31.5-178.4-169.2-163.467.6-179.7-4.9112.2L425 L426L425-R428 PolarHBondContact O-N 3.4Å; L426-R428 VanDerWaalsContact C-N 3.34Å; L426-R428 PolarHBondContact O-N 2.86Å
429D41.5Very low38.9Very low113 Ų11395.3 Ų95.360%0.60450%0.495SS*.SBendtrans-96.27-175.2-59.8-12.1000112L426 D431L426-D429 PolarHBondContact O-N 3.33Å; D429-D431 PolarHBondContact O-N 2.89Å
430I44.2Very low38.2Very low44 Ų4498.5 Ų98.523%0.22651%0.509CS..  trans-73.5121.8171.4-60.5177.9000109.3L426 L427 W432 Y435 I459L426-I430 VanDerWaalsContact O-CG1 3.31Å; L426-I430 WeakPolarHBondContact O-CG1 3.39Å; L427-I430 HydrophobicContact CD2-CD1 4.03Å; I430-W432 HydrophobicContact CG2-CD2 4.36Å; I430-W432 HydrophobicContact CG2-CG 4.48Å; I430-W432 PolarHBondContact O-N 3.03Å; I430-Y435 HydrophobicContact CG2-CE2 4.45Å; I430-I459 HydrophobicContact CD1-CG2 4.32Å
431D39.3Very low37.6Very low99 Ų99104.4 Ų104.453%0.52953%0.529SS..  trans-72.996.2166.2-167.6-9.4000109.8D429 S433 I434D429-D431 PolarHBondContact O-N 2.89Å; D431-S433 PolarHBondContact O-N 2.75Å; D431-S433 VanDerWaalsContact O-N 3.15Å; D431-S433 VanDerWaalsContact OD1-CB 3.25Å; D431-S433 WeakPolarHBondContact OD1-CB 3.29Å; D431-S433 PolarHBondContact OD1-N 2.99Å; D431-S433 VanDerWaalsContact OD1-N 3.15Å; D431-S433 PolarHBondContact OD1-OG 3.43Å; D431-S433 PolarHBondContact OD2-OG 3.19Å; D431-I434 HydrophobicContact CB-CD1 4.15Å; D431-I434 HydrophobicContact CB-CG1 4.35Å; D431-I434 WeakPolarHBondContact O-CG1 3.32Å; D431-I434 PolarHBondContact O-N 3.47Å
432W41.4Very low37.2Very low106 Ų106107.8 Ų107.840%0.40255%0.548SS..THydrogen-bonded Turntrans-66.4-11.2-179.2-69.189.7000113.3L427 I430 I434 Y435 L436L427-W432 HydrophobicContact CD2-CZ2 4.12Å; I430-W432 HydrophobicContact CG2-CD2 4.36Å; I430-W432 HydrophobicContact CG2-CG 4.48Å; I430-W432 PolarHBondContact O-N 3.03Å; W432-I434 PolarHBondContact O-N 2.91Å; W432-Y435 PolarHBondContact O-N 3.32Å; W432-Y435 VanDerWaalsContact O-N 3.15Å; W432-L436 PolarHBondContact O-N 2.88Å
433S35Very low36.8Very low55 Ų55107.8 Ų107.839%0.38555%0.55SS.*Hα-helixtrans-62.9-27.4174.669.90000112.7D431 Y435 L436 N437D431-S433 PolarHBondContact O-N 2.75Å; D431-S433 VanDerWaalsContact O-N 3.15Å; D431-S433 VanDerWaalsContact OD1-CB 3.25Å; D431-S433 WeakPolarHBondContact OD1-CB 3.29Å; D431-S433 PolarHBondContact OD1-N 2.99Å; D431-S433 VanDerWaalsContact OD1-N 3.15Å; D431-S433 PolarHBondContact OD1-OG 3.43Å; D431-S433 PolarHBondContact OD2-OG 3.19Å; S433-Y435 VanDerWaalsContact C-N 3.27Å; S433-Y435 PolarHBondContact O-N 2.87Å; S433-L436 PolarHBondContact O-N 3.25Å; S433-N437 PolarHBondContact O-N 3.42Å; S433-N437 VanDerWaalsContact O-N 3.14Å
434I40Very low36Very low128 Ų128110.9 Ų110.966%0.65657%0.567SS**Hα-helixtrans-65.3-33.1176.8-50.9170.4000110.8D431 W432D431-I434 HydrophobicContact CB-CD1 4.15Å; D431-I434 HydrophobicContact CB-CG1 4.35Å; D431-I434 WeakPolarHBondContact O-CG1 3.32Å; D431-I434 PolarHBondContact O-N 3.47Å; W432-I434 PolarHBondContact O-N 2.91Å
435Y39Very low35.1Very low158 Ų158116.3 Ų116.362%0.6260%0.597SS**Hα-helixtrans-84.4-19.4176.7-74.7-84.8000113.2I430 W432 S433I430-Y435 HydrophobicContact CG2-CE2 4.45Å; W432-Y435 PolarHBondContact O-N 3.32Å; W432-Y435 VanDerWaalsContact O-N 3.15Å; S433-Y435 VanDerWaalsContact C-N 3.27Å; S433-Y435 PolarHBondContact O-N 2.87Å
436L35.1Very low34.6Very low116 Ų116118.5 Ų118.561%0.60761%0.614SS**Hα-helixtrans-86-21.2178.5-71.3165.1000113.1W432 S433 G438W432-L436 PolarHBondContact O-N 2.88Å; S433-L436 PolarHBondContact O-N 3.25Å; L436-G438 VanDerWaalsContact C-N 3.32Å; L436-G438 PolarHBondContact O-N 3.24Å
437N29.8Very low33.6Very low125 Ų125122.3 Ų122.367%0.66863%0.634SS**G310 helixtrans-84.76.4179.4-94.43.3000115.4S433 N439S433-N437 PolarHBondContact O-N 3.42Å; S433-N437 VanDerWaalsContact O-N 3.14Å; N437-N439 VanDerWaalsContact C-N 3.27Å; N437-N439 PolarHBondContact O-N 2.75Å
438G31.8Very low32.5Very low65 Ų65131.2 Ų131.267%0.6766%0.663SS**G310 helixtrans-73.1-10.3175.400000115.6L436L436-G438 VanDerWaalsContact C-N 3.32Å; L436-G438 PolarHBondContact O-N 3.24Å
439N33.3Very low31.4Very low156 Ų156129.9 Ų129.983%0.83468%0.676SS**G310 helixtrans-116.112.2-172.3-91.11.9000115.7N437N437-N439 VanDerWaalsContact C-N 3.27Å; N437-N439 PolarHBondContact O-N 2.75Å
440N26Very low30.5Very low144 Ų144129.4 Ų129.477%0.7768%0.681SS**  trans-130.963.8173.9-92.9-12000111.7
441H28.3Very low29.6Very low185 Ų185134.6 Ų134.686%0.85671%0.708SS**  trans-124.199.1155.5-94.1-55.6000110.1H443H441-H443 PolarHBondContact O-N 3.4Å
442N26.4Very low29.1Very low150 Ų150136.5 Ų136.580%0.80272%0.717SS**  trans-57.2126.3157.5-96.9-18.4000109.2
443H26.3Very low28.3Very low161 Ų161139.7 Ų139.775%0.74574%0.742SS**SBendtrans37.199.1145.6-75.3-69.9000118.1H441H441-H443 PolarHBondContact O-N 3.4Å
444N24.5Very low27.9Very low146 Ų146141.3 Ų141.378%0.78175%0.753SS**  165.1143.8108.4-84-23.6000111.8
445N26.3Very low27.2Very low144 Ų144139.3 Ų139.377%0.7776%0.764SS**  trans82.489.3167.7-70.3-9.3000119.6
446T24.2Very low26.5Very low117 Ų117139.8 Ų139.872%0.71877%0.772SS**  54.1121.6117.655.10000120.3
447N23.5Very low26.1Very low152 Ų152141.3 Ų141.381%0.81378%0.78SS**  trans81.985.9158.8-60.5-14.6000118.1
448R23.3Very low26Very low251 Ų251139.1 Ų139.195%0.94778%0.779SS**  -175.4112.3113.9-98.7167.7-174.9-177.32.3110.9
449S21.3Very low25.9Very low112 Ų112140 Ų14078%0.78377%0.767SS**  trans-89.3152.2164.7460000110.1
450S22.5Very low25.5Very low103 Ų103140.1 Ų140.172%0.7277%0.767SS**  trans108.6132.5155.878.10000118.3
451I24.8Very low25.5Very low154 Ų154136.5 Ų136.579%0.7975%0.75SS**  trans85.1114.4163-38.3162.1000111.8
452I28.5Very low25.4Very low139 Ų139133.3 Ų133.371%0.71375%0.746SS**  cis-153.6125.548.4-67162.7000111.4S454I452-S454 WeakPolarHBondContact CG2-OG 3.5Å
453N24.5Very low25.6Very low173 Ų173136.3 Ų136.393%0.92577%0.769SS**  trans-83.1110.6153.5-93.8-26000108.1
454S26Very low25.6Very low88 Ų88135.1 Ų135.162%0.61577%0.77SS**SBendtrans173.5130.215350.50000109.3I452 E456I452-S454 WeakPolarHBondContact CG2-OG 3.5Å; S454-E456 VanDerWaalsContact C-N 3.26Å; S454-E456 PolarHBondContact O-N 3.14Å
455G26.2Very low25.7Very low87 Ų87134.5 Ų134.590%0.89777%0.77SS**  trans-72.164-175.500000115.2
456E24.9Very low25.6Very low168 Ų168133.9 Ų133.979%0.78577%0.77SS**  trans-128.2114.5166.5-74.4-174.8158.700109.7S454 A458S454-E456 VanDerWaalsContact C-N 3.26Å; S454-E456 PolarHBondContact O-N 3.14Å; E456-A458 VanDerWaalsContact C-N 3.28Å; E456-A458 PolarHBondContact O-N 3.47Å
457L26.1Very low25.7Very low147 Ų147134.9 Ų134.977%0.7777%0.773SS**  trans-70.586.2168.4-101.9147.1000108I459L457-I459 PolarHBondContact O-N 3.18Å
458A26.4Very low25.9Very low80 Ų80133.9 Ų133.966%0.66177%0.77SS**  trans-76.6106.6170.500000109.5E456 I460E456-A458 VanDerWaalsContact C-N 3.28Å; E456-A458 PolarHBondContact O-N 3.47Å; A458-I460 PolarHBondContact O-N 3.44Å
459I30.7Very low26Very low82 Ų82126.1 Ų126.142%0.42176%0.759SS.*  trans-83107170.3-59.3169.7000106.9L427 I430 L457 V461L427-I459 HydrophobicContact CD2-CD1 3.47Å; L427-I459 VanDerWaalsContact CD2-CD1 3.47Å; L427-I459 HydrophobicContact CG-CD1 4.09Å; I430-I459 HydrophobicContact CD1-CG2 4.32Å; L457-I459 PolarHBondContact O-N 3.18Å; I459-V461 HydrophobicContact CG2-CG2 4.12Å; I459-V461 PolarHBondContact O-N 3.29Å
460I24.9Very low26.4Very low159 Ų159127.1 Ų127.182%0.81576%0.757SS**  trans-81.1113.3172.3-57.9174.6000107.6A458A458-I460 PolarHBondContact O-N 3.44Å
461V25.9Very low26.7Very low68 Ų68128.9 Ų128.941%0.41276%0.76SS.*  trans-97.6125.8171.1-177.70000107.5L426 I459L426-V461 HydrophobicContact CD1-CG1 3.98Å; L426-V461 HydrophobicContact CD1-CG2 4.05Å; L426-V461 HydrophobicContact CD2-CG1 3.74Å; L426-V461 HydrophobicContact CD2-CG2 4.39Å; I459-V461 HydrophobicContact CG2-CG2 4.12Å; I459-V461 PolarHBondContact O-N 3.29Å
462P26.4Very low26.8Very low119 Ų119126.8 Ų126.877%0.77376%0.757SS**  trans-70.1132.81748.43.9000109.4
463T31.4Very low26.7Very low212 Ų212125.7 Ų125.7100%1.30176%0.761SS**  trans-63.50-178.850.60000113.9

Retrieved 463 of 463 residues in 243.5 ms (Link to these results)

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