A0A087YN13_POEFO Loading...

Aminopeptidase O (putative)

AlphaFold DB , UniProt , Accession A0A087YN13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 846 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low53.3Low206 Ų206108.1 Ų108.1100%1.01560%0.597SS**  0124.80-76.4176.1-175.600106.4
2E27.4Very low55.3Low175 Ų175103.6 Ų103.682%0.81857%0.572SS**  trans-56.6149.9165.9-69.4-169.1153.900108.8D4E2-D4 PolarHBondContact O-N 3.26Å
3P38.2Very low57.3Low123 Ų12399.6 Ų99.680%0.79955%0.549SS*.  trans-58.6117.2170.825.2-30.5000107.1G5P3-G5 PolarHBondContact O-N 2.92Å
4D49.7Very low59.1Low87 Ų8793.4 Ų93.447%0.46551%0.514SS..  trans-46.2115.2169.8-86.8-11.4000106.5E2 R17E2-D4 PolarHBondContact O-N 3.26Å; D4-R17 IonicContact OD2-NH2 2.64Å; D4-R17 PolarHBondContact OD2-NH2 2.86Å
5G54.2Low60.8Low53 Ų5388 Ų8855%0.54649%0.486SS..  trans-54.9161178.100000110.7P3 L7P3-G5 PolarHBondContact O-N 2.92Å; G5-L7 PolarHBondContact O-N 3.27Å
6E61.4Low62.5Low183 Ų18382.6 Ų82.686%0.85546%0.456SS*.  trans-59.3114.5169.2-76.5-175.4161.500108.6N8E6-N8 PolarHBondContact O-N 3.3Å
7L67.8Low64.1Low49 Ų4983.4 Ų83.426%0.25745%0.45SS..  trans-59.9130.7173.6-65.7178.5000108.4G5 P9 D12 W186 L598G5-L7 PolarHBondContact O-N 3.27Å; L7-P9 WeakPolarHBondContact O-CD 3.36Å; L7-D12 VanDerWaalsContact CA-OD2 3.27Å; L7-D12 WeakPolarHBondContact CA-OD2 3.44Å; L7-D12 HydrophobicContact CB-CB 4.07Å; L7-D12 HydrophobicContact CD2-CB 4.06Å; L7-W186 HydrophobicContact CD1-CZ2 3.73Å; L7-L598 HydrophobicContact CB-CD1 3.82Å; L7-L598 HydrophobicContact CD1-CD1 3.87Å
8N65.8Low65.6Low65 Ų6578.7 Ų78.735%0.34843%0.425SS..  trans-75.5117173.1179.4-6.6000109.1E6 D10 T11 D12E6-N8 PolarHBondContact O-N 3.3Å; N8-D10 PolarHBondContact O-N 3.07Å; N8-D10 VanDerWaalsContact O-N 3.12Å; N8-D10 PolarHBondContact OD1-N 3.18Å; N8-T11 WeakPolarHBondContact CB-OG1 3.5Å; N8-T11 PolarHBondContact ND2-OG1 3.33Å; N8-T11 VanDerWaalsContact ND2-OG1 3.17Å; N8-T11 PolarHBondContact O-N 2.82Å; N8-D12 PolarHBondContact N-OD2 3.48Å; N8-D12 VanDerWaalsContact O-CB 3.26Å; N8-D12 WeakPolarHBondContact O-CB 2.94Å; N8-D12 PolarHBondContact O-N 3.43Å
9P63.6Low67Low57 Ų5774.9 Ų74.937%0.3741%0.405SS..THydrogen-bonded Turntrans-61.4-22.3-177.225.6-34.9000114.2L7 L598 N599L7-P9 WeakPolarHBondContact O-CD 3.36Å; P9-L598 HydrophobicContact CB-CB 4Å; P9-L598 VanDerWaalsContact CB-O 3.24Å; P9-L598 WeakPolarHBondContact CB-O 3.34Å; P9-L598 CarbonylContact O-C 3.53Å; P9-N599 WeakPolarHBondContact O-CA 3.42Å; P9-N599 PolarHBondContact O-N 3Å
10D59.4Low68.2Low95 Ų9571.2 Ų71.251%0.50838%0.384SS..THydrogen-bonded Turntrans-86.3-28.2-177.8-62.7-34.3000113N8N8-D10 PolarHBondContact O-N 3.07Å; N8-D10 VanDerWaalsContact O-N 3.12Å; N8-D10 PolarHBondContact OD1-N 3.18Å
11T63Low69.3Low96 Ų9669.2 Ų69.259%0.58937%0.373SS*.THydrogen-bonded Turntrans-118.5-20.2-171.961.50000114.4N8N8-T11 WeakPolarHBondContact CB-OG1 3.5Å; N8-T11 PolarHBondContact ND2-OG1 3.33Å; N8-T11 VanDerWaalsContact ND2-OG1 3.17Å; N8-T11 PolarHBondContact O-N 2.82Å
12D77Confident71.9Confident54 Ų5463 Ų6329%0.28934%0.342SS..  trans-105.7132.6-169.8-58.7-9.6000111.7L7 N8L7-D12 VanDerWaalsContact CA-OD2 3.27Å; L7-D12 WeakPolarHBondContact CA-OD2 3.44Å; L7-D12 HydrophobicContact CB-CB 4.07Å; L7-D12 HydrophobicContact CD2-CB 4.06Å; N8-D12 PolarHBondContact N-OD2 3.48Å; N8-D12 VanDerWaalsContact O-CB 3.26Å; N8-D12 WeakPolarHBondContact O-CB 2.94Å; N8-D12 PolarHBondContact O-N 3.43Å
13D82Confident75Confident52 Ų5254.6 Ų54.628%0.27830%0.303SS..PPolyproline II helixtrans-76.6149.1174.6-64.3-23.7000111.3P15 T593 K595D13-P15 WeakPolarHBondContact O-CD 3.16Å; D13-T593 HydrophobicContact CB-CG2 4.39Å; D13-K595 WeakPolarHBondContact OD1-CA 3.41Å
14L81.6Confident77.7Confident12 Ų1249.1 Ų49.16%0.06327%0.267CS..EExtended strand (participates in β ladder)trans-78.9124.5176.3-174.279.9000110.8W186 I237 T593 I594 A597 L598L14-W186 HydrophobicContact CD1-CE3 4.12Å; L14-W186 HydrophobicContact CD1-CH2 3.51Å; L14-W186 HydrophobicContact CD1-CZ2 4.17Å; L14-W186 HydrophobicContact CD1-CZ3 3.49Å; L14-W186 VanDerWaalsContact CD1-CZ3 3.49Å; L14-I237 HydrophobicContact CD2-CD1 3.18Å; L14-I237 HydrophobicContact CD2-CG1 4.3Å; L14-T593 WeakPolarHBondContact O-CA 3.42Å; L14-I594 PolarHBondContact N-O 2.81Å; L14-I594 VanDerWaalsContact N-O 3.15Å; L14-I594 PolarHBondContact O-N 3.45Å; L14-A597 HydrophobicContact CB-CB 3.69Å; L14-A597 HydrophobicContact CD2-CB 4.22Å; L14-L598 HydrophobicContact CB-CG 4.34Å; L14-L598 HydrophobicContact CD1-CD1 4.35Å; L14-L598 HydrophobicContact CD1-CD2 3.77Å; L14-L598 HydrophobicContact CD1-CG 4.09Å
15P85.1Confident80Confident13 Ų1345 Ų458%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-78.1138.8179.330.6-34000113D13 R17 W186 R240D13-P15 WeakPolarHBondContact O-CD 3.16Å; P15-R17 HydrophobicContact CB-CG 4.5Å; P15-W186 HydrophobicContact CG-CD2 4.37Å; P15-W186 HydrophobicContact CG-CG 4.1Å; P15-R240 PolarHBondContact O-NH1 3.15Å; P15-R240 VanDerWaalsContact O-NH1 3.14Å
16L88.1Confident81.9Confident1 Ų146.5 Ų46.51%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-105.5111.1160.9-52.7-166.4000107.9D105 E247 P248 S591 S592 I594L16-D105 WeakPolarHBondContact CA-OD1 3.46Å; L16-E247 HydrophobicContact CD1-CB 4.37Å; L16-E247 HydrophobicContact CD2-CB 4.2Å; L16-P248 HydrophobicContact CB-CG 4.02Å; L16-P248 HydrophobicContact CD1-CB 4.25Å; L16-P248 HydrophobicContact CD1-CG 3.78Å; L16-S591 WeakPolarHBondContact O-CA 3.29Å; L16-S591 VanDerWaalsContact O-CB 3.26Å; L16-S591 WeakPolarHBondContact O-CB 3.46Å; L16-S591 PolarHBondContact O-OG 2.96Å; L16-S592 WeakPolarHBondContact CD1-OG 3.24Å; L16-S592 PolarHBondContact N-O 2.63Å; L16-S592 PolarHBondContact O-N 2.64Å; L16-S592 VanDerWaalsContact O-N 3.13Å; L16-I594 HydrophobicContact CD1-CD1 4.07Å; L16-I594 HydrophobicContact CD1-CG1 4.28Å; L16-I594 HydrophobicContact CD2-CD1 3.89Å; L16-I594 HydrophobicContact CD2-CG1 4.42Å; L16-I594 HydrophobicContact CG-CD1 4.17Å; L16-I594 HydrophobicContact CG-CG1 4.25Å
17R89.7Confident83.5Confident96 Ų9637.8 Ų37.836%0.36219%0.193SC..  trans-92.3-15.2-169-62.9-67.6-164.7178.46.4113.1D4 P15 N19 V103 D105 W186D4-R17 IonicContact OD2-NH2 2.64Å; D4-R17 PolarHBondContact OD2-NH2 2.86Å; P15-R17 HydrophobicContact CB-CG 4.5Å; R17-N19 PolarHBondContact O-N 3.11Å; R17-V103 HydrophobicContact CB-CG1 3.86Å; R17-V103 VanDerWaalsContact O-CG1 3.23Å; R17-V103 WeakPolarHBondContact O-CG1 3.34Å; R17-D105 PolarHBondContact N-OD1 3.24Å; R17-W186 HydrophobicContact CG-CB 4.14Å
18A91.4Very high85Confident0 Ų035.7 Ų35.70%018%0.182CC..  trans-54.8132-176.300000113.1T20 V103 D105 Q246 G590A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 HydrophobicContact CB-CG2 4.09Å; A18-T20 PolarHBondContact O-N 3.22Å; A18-V103 VanDerWaalsContact CA-O 3.3Å; A18-V103 WeakPolarHBondContact CA-O 3.47Å; A18-D105 WeakPolarHBondContact CB-OD2 3.47Å; A18-D105 PolarHBondContact N-OD1 3.08Å; A18-Q246 HydrophobicContact CB-CB 4.1Å; A18-Q246 HydrophobicContact CB-CG 3.99Å; A18-G590 CarbonylContact O-C 3.47Å
19N92Very high86.5Confident7 Ų733.2 Ų33.24%0.03717%0.169CC..  trans-88.959.6-175.363.4-18000113.1R17 N21 H22 I23 T101 V103 S589R17-N19 PolarHBondContact O-N 3.11Å; N19-N21 PolarHBondContact O-N 3.42Å; N19-N21 VanDerWaalsContact O-N 3.14Å; N19-H22 PolarHBondContact O-N 2.74Å; N19-I23 PolarHBondContact O-N 3.32Å; N19-T101 PolarHBondContact ND2-O 3.01Å; N19-V103 HydrophobicContact CB-CB 4.38Å; N19-V103 PolarHBondContact N-O 3.22Å; N19-V103 PolarHBondContact OD1-N 2.94Å; N19-V103 PolarHBondContact OD1-O 3.2Å; N19-S589 CarbonylContact C-O 3.53Å; N19-S589 WeakPolarHBondContact CA-O 3.4Å
20T90.9Very high88.1Confident0 Ų030.6 Ų30.60%015%0.152CC..THydrogen-bonded Turntrans-62.6-18.4-170.963.40000115.2A18 L24 Q246 P248 A251 S589 G590A18-T20 VanDerWaalsContact C-N 3.28Å; A18-T20 HydrophobicContact CB-CG2 4.09Å; A18-T20 PolarHBondContact O-N 3.22Å; T20-L24 HydrophobicContact CG2-CD2 4.5Å; T20-L24 VanDerWaalsContact O-CD2 3.32Å; T20-L24 WeakPolarHBondContact O-CD2 3.45Å; T20-Q246 HydrophobicContact CG2-CB 4.29Å; T20-P248 HydrophobicContact CG2-CB 4.35Å; T20-P248 HydrophobicContact CG2-CG 4.04Å; T20-A251 HydrophobicContact CG2-CB 3.95Å; T20-S589 PolarHBondContact N-O 3.44Å; T20-G590 WeakPolarHBondContact OG1-CA 3.49Å; T20-G590 PolarHBondContact OG1-O 3.07Å
21N90.3Very high89.9Confident29 Ų2928.7 Ų28.716%0.15514%0.142CC..THydrogen-bonded Turntrans-80.8-18.7174.8-74.7-15.2000112.9N19 C52 S587 D588 S589 G590N19-N21 PolarHBondContact O-N 3.42Å; N19-N21 VanDerWaalsContact O-N 3.14Å; N21-C52 WeakPolarHBondContact O-CB 3.46Å; N21-C52 PolarHBondContact O-SG 3.39Å; N21-S587 PolarHBondContact ND2-O 3.46Å; N21-D588 WeakPolarHBondContact CB-O 3.36Å; N21-D588 PolarHBondContact ND2-O 2.76Å; N21-D588 VanDerWaalsContact ND2-O 3.09Å; N21-S589 PolarHBondContact N-O 3.45Å; N21-S589 VanDerWaalsContact N-O 3.12Å; N21-G590 WeakPolarHBondContact ND2-CA 3.36Å; N21-G590 PolarHBondContact ND2-N 2.76Å
22H91.2Very high91.5Very high75 Ų7524.1 Ų24.135%0.34711%0.114SC..THydrogen-bonded Turntrans-94.9-41.2-179.9-59.9137000112.8N19 C52 F100 S198N19-H22 PolarHBondContact O-N 2.74Å; H22-C52 PolarHBondContact O-N 2.95Å; H22-F100 HydrophobicContact CB-CE2 3.9Å; H22-F100 HydrophobicContact CB-CZ 4.04Å; H22-S198 WeakPolarHBondContact O-CB 3.48Å; H22-S198 PolarHBondContact O-OG 3.2Å
23I93.2Very high92.5Very high0 Ų023.3 Ų23.30%011%0.11CC..EExtended strand (participates in β ladder)trans-154.1135.4-175.5-166.1164.8000110.3N19 L49 P51 F100 L102 F201 Q246N19-I23 PolarHBondContact O-N 3.32Å; I23-L49 HydrophobicContact CD1-CB 3.78Å; I23-L49 HydrophobicContact CD1-CD1 4.15Å; I23-L49 HydrophobicContact CD1-CG 4.4Å; I23-L49 HydrophobicContact CG1-CB 4Å; I23-P51 HydrophobicContact CD1-CG 4.49Å; I23-F100 HydrophobicContact CG2-CZ 4.16Å; I23-L102 HydrophobicContact CG2-CD1 3.37Å; I23-F201 HydrophobicContact CD1-CB 4.44Å; I23-F201 HydrophobicContact CD1-CD1 4.02Å; I23-Q246 PolarHBondContact O-NE2 3.5Å
24L95.3Very high93.2Very high8 Ų820.8 Ų20.84%0.04210%0.097CC..EExtended strand (participates in β ladder)trans-113.1140.8179.9-70.3172000110.5T20 L49 E50 A251T20-L24 HydrophobicContact CG2-CD2 4.5Å; T20-L24 VanDerWaalsContact O-CD2 3.32Å; T20-L24 WeakPolarHBondContact O-CD2 3.45Å; L24-L49 CarbonylContact O-C 2.98Å; L24-L49 WeakPolarHBondContact O-CA 3.41Å; L24-E50 PolarHBondContact N-O 3.09Å; L24-E50 PolarHBondContact O-N 2.94Å; L24-A251 HydrophobicContact CD2-CB 4.34Å
25V96.2Very high93.8Very high0 Ų021.9 Ų21.90%011%0.105CC..EExtended strand (participates in β ladder)trans-76.5130.8161.2-171.80000107.6Y28 L47 L49 L104 Q246 S253V25-Y28 HydrophobicContact CB-CE1 4.12Å; V25-Y28 HydrophobicContact CB-CE2 4.35Å; V25-Y28 HydrophobicContact CG1-CD1 3.85Å; V25-Y28 HydrophobicContact CG1-CD2 4.23Å; V25-Y28 HydrophobicContact CG1-CE1 3.54Å; V25-Y28 HydrophobicContact CG1-CE2 3.92Å; V25-Y28 HydrophobicContact CG1-CG 4.19Å; V25-Y28 HydrophobicContact CG2-CE1 4.16Å; V25-L47 HydrophobicContact CG1-CB 4.38Å; V25-L47 HydrophobicContact CG1-CD2 4.33Å; V25-L47 HydrophobicContact CG2-CD1 4.38Å; V25-L49 HydrophobicContact CB-CD2 4.47Å; V25-L49 HydrophobicContact CG2-CD2 3.71Å; V25-L104 HydrophobicContact CG2-CD2 4.29Å; V25-Q246 HydrophobicContact CG2-CG 4.05Å; V25-S253 PolarHBondContact O-OG 3.28Å
26R94.6Very high94.2Very high85 Ų8522.2 Ų22.232%0.32111%0.105SC..EExtended strand (participates in β ladder)trans-106.8-27.4177.1-66.5-54.7-165.1173.47.6113.3F48 E50 F150 T254R26-F48 PolarHBondContact N-O 3.31Å; R26-E50 HydrophobicContact CG-CB 3.73Å; R26-E50 IonicContact CZ-OE2 2.97Å; R26-E50 IonicContact NE-OE2 2.65Å; R26-E50 PolarHBondContact NE-OE2 3.3Å; R26-E50 IonicContact NH2-OE2 2.69Å; R26-E50 PolarHBondContact NH2-OE2 3.45Å; R26-F150 HydrophobicContact CB-CD1 4.2Å; R26-F150 HydrophobicContact CB-CE1 3.77Å; R26-F150 HydrophobicContact CB-CZ 4.08Å; R26-F150 HydrophobicContact CG-CE1 4.36Å; R26-F150 HydrophobicContact CG-CZ 4.32Å; R26-T254 PolarHBondContact O-N 3.43Å; R26-T254 VanDerWaalsContact O-N 3.11Å; R26-T254 PolarHBondContact O-OG1 3.06Å
27H96.3Very high94.3Very high0 Ų029.6 Ų29.60%015%0.145CC..EExtended strand (participates in β ladder)trans-148.2135.9179.2-170.175.8000110.9V29 F48 F164 T254 Q256H27-V29 VanDerWaalsContact CD2-CG2 3.47Å; H27-V29 WeakPolarHBondContact CD2-CG2 3.38Å; H27-F48 HydrophobicContact CB-CB 4.07Å; H27-F48 HydrophobicContact CB-CD2 4.19Å; H27-F48 HydrophobicContact CB-CG 4.33Å; H27-F48 AromaticContact CD2-CD2 3.99Å; H27-F48 PolarHBondContact O-N 3.19Å; H27-F164 HydrophobicContact CB-CD1 4.44Å; H27-F164 HydrophobicContact CB-CD2 4.34Å; H27-F164 HydrophobicContact CB-CE1 3.96Å; H27-F164 HydrophobicContact CB-CE2 3.83Å; H27-F164 HydrophobicContact CB-CZ 3.64Å; H27-F164 AromaticContact CD2-CD1 3.79Å; H27-F164 AromaticContact CD2-CD2 3.28Å; H27-F164 WeakPolarHBondContact CD2-CD2 3.28Å; H27-F164 AromaticContact CD2-CE2 3.68Å; H27-F164 AromaticContact CD2-CG 3.35Å; H27-F164 WeakPolarHBondContact CD2-CG 3.26Å; H27-F164 AromaticContact CE1-CD2 3.6Å; H27-F164 AromaticContact CE1-CE2 3.93Å; H27-F164 AromaticContact CG-CD2 3.57Å; H27-F164 AromaticContact CG-CE2 3.45Å; H27-F164 VanDerWaalsContact CG-CE2 3.45Å; H27-F164 AromaticContact CG-CG 3.99Å; H27-F164 AromaticContact CG-CZ 3.79Å; H27-F164 AromaticContact ND1-CD2 3.76Å; H27-F164 AromaticContact ND1-CE2 3.62Å; H27-F164 AromaticContact NE2-CD2 3.3Å; H27-F164 VanDerWaalsContact NE2-CD2 3.3Å; H27-F164 WeakPolarHBondContact NE2-CD2 3.45Å; H27-F164 AromaticContact NE2-CE2 3.97Å; H27-F164 AromaticContact NE2-CG 3.62Å; H27-T254 VanDerWaalsContact CA-O 3.32Å; H27-T254 WeakPolarHBondContact CA-O 3.43Å; H27-T254 PolarHBondContact ND1-OG1 3.37Å; H27-Q256 PolarHBondContact NE2-NE2 3.45Å
28Y97.6Very high94.4Very high5 Ų532 Ų322%0.0216%0.158CC..EExtended strand (participates in β ladder)trans-106.6133.4172-62.9-81.4000110.4V25 I45 L47 F243 C245 Q246 S253 T254 W255 Q256V25-Y28 HydrophobicContact CB-CE1 4.12Å; V25-Y28 HydrophobicContact CB-CE2 4.35Å; V25-Y28 HydrophobicContact CG1-CD1 3.85Å; V25-Y28 HydrophobicContact CG1-CD2 4.23Å; V25-Y28 HydrophobicContact CG1-CE1 3.54Å; V25-Y28 HydrophobicContact CG1-CE2 3.92Å; V25-Y28 HydrophobicContact CG1-CG 4.19Å; V25-Y28 HydrophobicContact CG2-CE1 4.16Å; Y28-I45 HydrophobicContact CD1-CD1 3.57Å; Y28-I45 HydrophobicContact CD1-CG1 4.26Å; Y28-I45 HydrophobicContact CE1-CD1 4.28Å; Y28-I45 HydrophobicContact CG-CD1 4.36Å; Y28-L47 HydrophobicContact CD1-CD2 3.29Å; Y28-L47 HydrophobicContact CE1-CD2 3.45Å; Y28-L47 VanDerWaalsContact CE1-CD2 3.45Å; Y28-F243 HydrophobicContact CD1-CE2 4.16Å; Y28-F243 HydrophobicContact CE1-CD2 4.45Å; Y28-F243 HydrophobicContact CE1-CE2 4.04Å; Y28-F243 HydrophobicContact CG-CE2 4.49Å; Y28-C245 HydrophobicContact CE1-CB 4.44Å; Y28-Q246 PolarHBondContact OH-N 3.01Å; Y28-S253 VanDerWaalsContact CD2-CB 3.48Å; Y28-S253 WeakPolarHBondContact CE2-OG 3.04Å; Y28-T254 PolarHBondContact N-O 2.65Å; Y28-W255 CarbonylContact O-C 3.59Å; Y28-W255 VanDerWaalsContact O-CA 3.24Å; Y28-W255 WeakPolarHBondContact O-CA 3.47Å; Y28-Q256 PolarHBondContact O-N 3.19Å
29V97.9Very high94.5Very high13 Ų1336.7 Ų36.78%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-118.2107.9167.6-175.10000108.8H27 I45 V46 F48 F164 Q256H27-V29 VanDerWaalsContact CD2-CG2 3.47Å; H27-V29 WeakPolarHBondContact CD2-CG2 3.38Å; V29-I45 CarbonylContact O-C 3.55Å; V29-I45 WeakPolarHBondContact O-CA 3.34Å; V29-V46 HydrophobicContact CB-CB 4.19Å; V29-V46 PolarHBondContact N-O 2.98Å; V29-V46 PolarHBondContact O-N 3.49Å; V29-F48 HydrophobicContact CG2-CD2 4.29Å; V29-F48 HydrophobicContact CG2-CE2 3.62Å; V29-F164 HydrophobicContact CG2-CB 4.2Å; V29-Q256 CarbonylContact C-O 3.58Å; V29-Q256 WeakPolarHBondContact CA-O 3.06Å; V29-Q256 HydrophobicContact CB-CG 4.16Å; V29-Q256 HydrophobicContact CG1-CG 3.87Å; V29-Q256 HydrophobicContact CG2-CG 3.81Å
30L97.7Very high94.7Very high2 Ų238 Ų381%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-100.1132.7-178.2-58.291.1000110L32 I45 F243 W255 Q256 A257 R258 F301L30-L32 HydrophobicContact CB-CD1 4.38Å; L30-L32 HydrophobicContact CB-CD2 4.27Å; L30-L32 HydrophobicContact CB-CG 4.07Å; L30-L32 HydrophobicContact CD2-CD1 4.24Å; L30-L32 HydrophobicContact CD2-CD2 4.38Å; L30-I45 HydrophobicContact CD1-CD1 4.46Å; L30-I45 HydrophobicContact CD2-CD1 4.05Å; L30-I45 HydrophobicContact CG-CD1 3.87Å; L30-I45 HydrophobicContact CG-CG1 4.05Å; L30-F243 HydrophobicContact CD2-CB 4.34Å; L30-F243 HydrophobicContact CD2-CD1 4.01Å; L30-F243 HydrophobicContact CD2-CD2 4.47Å; L30-F243 HydrophobicContact CD2-CE1 4.42Å; L30-F243 HydrophobicContact CD2-CG 4.05Å; L30-W255 HydrophobicContact CD1-CB 4.25Å; L30-Q256 PolarHBondContact N-O 3.02Å; L30-A257 HydrophobicContact CB-CB 4.15Å; L30-A257 HydrophobicContact CD1-CB 4.46Å; L30-A257 CarbonylContact O-C 3.55Å; L30-A257 WeakPolarHBondContact O-CA 3.45Å; L30-R258 PolarHBondContact O-N 3.12Å; L30-F301 HydrophobicContact CD1-CE2 4Å; L30-F301 HydrophobicContact CD2-CE2 3.98Å; L30-F301 HydrophobicContact CD2-CZ 3.92Å
31D97Very high94.9Very high55 Ų5538.1 Ų38.129%0.29419%0.186SC..EExtended strand (participates in β ladder)trans-120.1105.7165.3-168.1-10.1000107.5G43 S44 R258D31-G43 CarbonylContact O-C 3.51Å; D31-G43 VanDerWaalsContact O-CA 3.24Å; D31-G43 WeakPolarHBondContact O-CA 3.46Å; D31-S44 PolarHBondContact N-O 2.62Å; D31-S44 PolarHBondContact O-N 3.49Å; D31-R258 WeakPolarHBondContact CA-O 3.5Å; D31-R258 IonicContact OD1-NH1 2.98Å; D31-R258 IonicContact OD2-NH1 3.42Å; D31-R258 PolarHBondContact OD2-NH1 3.49Å
32L97.3Very high95.2Very high0 Ų038.7 Ų38.70%019%0.192CC..EExtended strand (participates in β ladder)trans-115.9133-169.9-55.5179.8000110L30 I41 Y209 R258 V259 R260 F301 L303L30-L32 HydrophobicContact CB-CD1 4.38Å; L30-L32 HydrophobicContact CB-CD2 4.27Å; L30-L32 HydrophobicContact CB-CG 4.07Å; L30-L32 HydrophobicContact CD2-CD1 4.24Å; L30-L32 HydrophobicContact CD2-CD2 4.38Å; L32-I41 HydrophobicContact CB-CG2 4.06Å; L32-I41 HydrophobicContact CD2-CG2 4.27Å; L32-Y209 VanDerWaalsContact CD2-OH 3.27Å; L32-Y209 WeakPolarHBondContact CD2-OH 3.44Å; L32-R258 PolarHBondContact N-O 2.92Å; L32-V259 HydrophobicContact CB-CG2 4.4Å; L32-V259 HydrophobicContact CD1-CG2 4.41Å; L32-V259 CarbonylContact O-C 3.57Å; L32-V259 WeakPolarHBondContact O-CA 3.35Å; L32-R260 PolarHBondContact O-N 2.9Å; L32-F301 HydrophobicContact CD1-CZ 4.36Å; L32-L303 HydrophobicContact CD1-CD2 4.29Å
33T97Very high95.4Very high36 Ų3636.2 Ų36.222%0.22119%0.187CC..EExtended strand (participates in β ladder)trans-115.2123.7169.6-60.80000109.3I41 S42 R260T33-I41 WeakPolarHBondContact O-CA 3.32Å; T33-S42 PolarHBondContact N-O 3.08Å; T33-S42 PolarHBondContact O-N 3.31Å; T33-R260 WeakPolarHBondContact CA-O 3.2Å; T33-R260 HydrophobicContact CG2-CB 4.44Å; T33-R260 HydrophobicContact CG2-CG 4.47Å
34V96.7Very high95.6Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-95124179-177.60000109.5F36 I41 W220 V230 V259 R260 V305V34-F36 HydrophobicContact CG1-CE2 4.36Å; V34-I41 HydrophobicContact CG2-CD1 4.49Å; V34-I41 HydrophobicContact CG2-CG1 4.3Å; V34-W220 HydrophobicContact CG1-CH2 3.76Å; V34-W220 HydrophobicContact CG1-CZ3 4.17Å; V34-V230 HydrophobicContact CG1-CG1 3.79Å; V34-V259 HydrophobicContact CG2-CG1 4.15Å; V34-R260 PolarHBondContact N-O 3.27Å; V34-V305 HydrophobicContact CG1-CB 4.43Å; V34-V305 HydrophobicContact CG1-CG1 4.41Å; V34-V305 HydrophobicContact CG2-CG2 4.01Å
35C93.8Very high95.8Very high35 Ų3536.8 Ų36.824%0.23619%0.191CC..EExtended strand (participates in β ladder)trans-122.6104.1179.8-175.80000110.6K39 I40 W220C35-K39 WeakPolarHBondContact O-CA 3.4Å; C35-K39 PolarHBondContact O-N 2.98Å; C35-I40 PolarHBondContact N-O 3.33Å; C35-I40 PolarHBondContact O-N 3.41Å; C35-W220 WeakPolarHBondContact O-CH2 3.32Å
36F93.6Very high95.8Very high19 Ų1936.9 Ų36.98%0.08319%0.192CC..THydrogen-bonded Turntrans-63.9-45.3179.7-76.4-75.2000112.7V34 K38 K39 W220 E228 V230 P262 V305V34-F36 HydrophobicContact CG1-CE2 4.36Å; F36-K38 PolarHBondContact O-N 3.46Å; F36-K38 VanDerWaalsContact O-N 3.13Å; F36-K39 WeakPolarHBondContact O-CG 3.44Å; F36-K39 PolarHBondContact O-N 3.28Å; F36-W220 HydrophobicContact CD1-CE3 4.07Å; F36-W220 AromaticContact CD1-CZ3 3.67Å; F36-W220 HydrophobicContact CD1-CZ3 3.67Å; F36-W220 HydrophobicContact CE1-CE3 4.37Å; F36-W220 AromaticContact CE1-CZ3 4Å; F36-W220 HydrophobicContact CE1-CZ3 4Å; F36-W220 HydrophobicContact CG-CZ3 4.23Å; F36-E228 HydrophobicContact CD1-CB 3.78Å; F36-E228 HydrophobicContact CE1-CB 4.15Å; F36-E228 HydrophobicContact CG-CB 4.49Å; F36-V230 HydrophobicContact CE1-CB 4.44Å; F36-V230 HydrophobicContact CE1-CG1 4.15Å; F36-V230 HydrophobicContact CZ-CG1 4.23Å; F36-P262 HydrophobicContact CD2-CG 3.99Å; F36-P262 HydrophobicContact CE2-CG 4.23Å; F36-V305 HydrophobicContact CE2-CG1 4.15Å; F36-V305 HydrophobicContact CZ-CB 4.47Å; F36-V305 HydrophobicContact CZ-CG1 4.08Å
37D91.5Very high96Very high156 Ų15632.8 Ų32.883%0.83418%0.177SC*.THydrogen-bonded Turntrans-54.7-38.1-179-64.1-27.3000113.2
38K91.3Very high96Very high148 Ų14832.8 Ų32.864%0.64318%0.177SC*.THydrogen-bonded Turntrans-95.8-10.7-179.4-64.7-175.8-179.7179.40113.2F36 I40F36-K38 PolarHBondContact O-N 3.46Å; F36-K38 VanDerWaalsContact O-N 3.13Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 HydrophobicContact CB-CB 4.32Å; K38-I40 HydrophobicContact CB-CD1 4.1Å; K38-I40 HydrophobicContact CB-CG1 4.27Å; K38-I40 WeakPolarHBondContact O-CG1 3.22Å; K38-I40 PolarHBondContact O-N 3.46Å
39K93.6Very high95.8Very high97 Ų9732.6 Ų32.642%0.42218%0.176SC..THydrogen-bonded Turntrans50.449-169.5-61.1-175.5177.9-172.60112.2C35 F36 T213 W220C35-K39 WeakPolarHBondContact O-CA 3.4Å; C35-K39 PolarHBondContact O-N 2.98Å; F36-K39 WeakPolarHBondContact O-CG 3.44Å; F36-K39 PolarHBondContact O-N 3.28Å; K39-T213 HydrophobicContact CB-CG2 4.17Å; K39-W220 HydrophobicContact CB-CB 4.37Å; K39-W220 HydrophobicContact CB-CD2 3.68Å; K39-W220 HydrophobicContact CB-CE3 4.13Å; K39-W220 HydrophobicContact CB-CG 3.77Å; K39-W220 HydrophobicContact CD-CB 3.99Å; K39-W220 HydrophobicContact CD-CG 4.29Å; K39-W220 HydrophobicContact CG-CB 4.24Å; K39-W220 HydrophobicContact CG-CD2 4.06Å; K39-W220 HydrophobicContact CG-CE3 4.14Å; K39-W220 HydrophobicContact CG-CG 4.11Å; K39-W220 VanDerWaalsContact O-CE2 3.3Å; K39-W220 PolarHBondContact O-NE1 3.23Å; K39-W220 VanDerWaalsContact O-NE1 3.08Å
40I94.7Very high95.6Very high36 Ų3634.8 Ų34.819%0.18519%0.185CC..EExtended strand (participates in β ladder)trans-132.7138.6-178.6-69.2171000110.1C35 K38 M210 W220C35-I40 PolarHBondContact N-O 3.33Å; C35-I40 PolarHBondContact O-N 3.41Å; K38-I40 VanDerWaalsContact C-N 3.29Å; K38-I40 HydrophobicContact CB-CB 4.32Å; K38-I40 HydrophobicContact CB-CD1 4.1Å; K38-I40 HydrophobicContact CB-CG1 4.27Å; K38-I40 WeakPolarHBondContact O-CG1 3.22Å; K38-I40 PolarHBondContact O-N 3.46Å; I40-M210 HydrophobicContact CD1-SD 4.21Å; I40-M210 HydrophobicContact CG2-CB 3.68Å; I40-M210 HydrophobicContact CG2-CG 4.34Å; I40-M210 HydrophobicContact CG2-SD 4.37Å; I40-W220 VanDerWaalsContact C-CZ2 3.47Å
41I96.4Very high95.3Very high1 Ų135.4 Ų35.41%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-101.1120.7161-53.5-177.7000106.7L32 T33 V34 M210 T211 V218 W220 L242 L303L32-I41 HydrophobicContact CB-CG2 4.06Å; L32-I41 HydrophobicContact CD2-CG2 4.27Å; T33-I41 WeakPolarHBondContact O-CA 3.32Å; V34-I41 HydrophobicContact CG2-CD1 4.49Å; V34-I41 HydrophobicContact CG2-CG1 4.3Å; I41-M210 WeakPolarHBondContact O-CA 3.38Å; I41-T211 HydrophobicContact CB-CG2 3.96Å; I41-T211 PolarHBondContact N-OG1 3.03Å; I41-T211 PolarHBondContact O-N 3.21Å; I41-T211 PolarHBondContact O-OG1 2.81Å; I41-V218 HydrophobicContact CD1-CG1 4.05Å; I41-V218 HydrophobicContact CD1-CG2 4.31Å; I41-W220 HydrophobicContact CG1-CH2 4.3Å; I41-W220 HydrophobicContact CG1-CZ2 3.83Å; I41-L242 HydrophobicContact CD1-CD1 3.92Å; I41-L303 HydrophobicContact CD1-CD2 4.01Å
42S96.7Very high94.7Very high42 Ų4233.6 Ų33.629%0.29418%0.181SC..EExtended strand (participates in β ladder)trans-127.5151.1-178.1630000110.9T33T33-S42 PolarHBondContact N-O 3.08Å; T33-S42 PolarHBondContact O-N 3.31Å
43G95.8Very high93.3Very high23 Ų2336 Ų3624%0.23720%0.197CC..EExtended strand (participates in β ladder)trans163.2-141.5173.800000112.6D31 Y208 Y209D31-G43 CarbonylContact O-C 3.51Å; D31-G43 VanDerWaalsContact O-CA 3.24Å; D31-G43 WeakPolarHBondContact O-CA 3.46Å; G43-Y208 WeakPolarHBondContact O-CA 3.32Å; G43-Y209 PolarHBondContact N-O 3.05Å; G43-Y209 PolarHBondContact O-N 3.39Å
44S97.3Very high90.9Very high19 Ų1938.3 Ų38.313%0.13322%0.22CC..EExtended strand (participates in β ladder)trans-138150.6178.570.90000112D31 I207D31-S44 PolarHBondContact N-O 2.62Å; D31-S44 PolarHBondContact O-N 3.49Å; S44-I207 CarbonylContact C-O 3.6Å; S44-I207 VanDerWaalsContact CA-O 3.22Å; S44-I207 WeakPolarHBondContact CA-O 3.28Å
45I98Very high88.1Confident0 Ų045.9 Ų45.90%026%0.256CS..EExtended strand (participates in β ladder)trans-122.4134.2169.1-170.6166.5000109.2Y28 V29 L30 L47 R206 I207 Y209 F243Y28-I45 HydrophobicContact CD1-CD1 3.57Å; Y28-I45 HydrophobicContact CD1-CG1 4.26Å; Y28-I45 HydrophobicContact CE1-CD1 4.28Å; Y28-I45 HydrophobicContact CG-CD1 4.36Å; V29-I45 CarbonylContact O-C 3.55Å; V29-I45 WeakPolarHBondContact O-CA 3.34Å; L30-I45 HydrophobicContact CD1-CD1 4.46Å; L30-I45 HydrophobicContact CD2-CD1 4.05Å; L30-I45 HydrophobicContact CG-CD1 3.87Å; L30-I45 HydrophobicContact CG-CG1 4.05Å; I45-L47 HydrophobicContact CD1-CD2 3.9Å; I45-L47 HydrophobicContact CG1-CD2 3.79Å; I45-L47 HydrophobicContact CG2-CD2 4.45Å; I45-R206 CarbonylContact O-C 3.59Å; I45-R206 WeakPolarHBondContact O-CA 3.33Å; I45-I207 HydrophobicContact CG2-CB 3.87Å; I45-I207 HydrophobicContact CG2-CD1 4.39Å; I45-I207 PolarHBondContact N-O 2.92Å; I45-I207 PolarHBondContact O-N 3.42Å; I45-Y209 HydrophobicContact CB-CE1 4.01Å; I45-Y209 HydrophobicContact CG2-CD1 4.16Å; I45-Y209 HydrophobicContact CG2-CE1 3.83Å; I45-F243 HydrophobicContact CD1-CB 3.97Å; I45-F243 HydrophobicContact CD1-CD2 3.36Å; I45-F243 HydrophobicContact CD1-CE2 4.1Å; I45-F243 HydrophobicContact CD1-CG 3.94Å
46V97.9Very high85.5Confident2 Ų249 Ų491%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-107.9123.5172.7-176.60000108.5V29 F48 V117 I204 I205 R206V29-V46 HydrophobicContact CB-CB 4.19Å; V29-V46 PolarHBondContact N-O 2.98Å; V29-V46 PolarHBondContact O-N 3.49Å; V46-F48 HydrophobicContact CB-CE2 4.45Å; V46-F48 HydrophobicContact CG1-CD2 4.43Å; V46-F48 HydrophobicContact CG1-CE2 3.8Å; V46-F48 HydrophobicContact CG1-CZ 4.26Å; V46-V117 HydrophobicContact CG1-CG2 4.31Å; V46-I204 HydrophobicContact CG1-CG2 3.33Å; V46-I205 CarbonylContact C-O 3.58Å; V46-I205 WeakPolarHBondContact CA-O 3.45Å; V46-R206 HydrophobicContact CG2-CB 3.99Å; V46-R206 HydrophobicContact CG2-CG 3.83Å
47L97.4Very high82.7Confident0 Ų050.3 Ų50.30%028%0.283CS..EExtended strand (participates in β ladder)trans-102.1129-178.9-51.3-173.3000109.6V25 Y28 I45 L49 L104 I204 I205 I207V25-L47 HydrophobicContact CG1-CB 4.38Å; V25-L47 HydrophobicContact CG1-CD2 4.33Å; V25-L47 HydrophobicContact CG2-CD1 4.38Å; Y28-L47 HydrophobicContact CD1-CD2 3.29Å; Y28-L47 HydrophobicContact CE1-CD2 3.45Å; Y28-L47 VanDerWaalsContact CE1-CD2 3.45Å; I45-L47 HydrophobicContact CD1-CD2 3.9Å; I45-L47 HydrophobicContact CG1-CD2 3.79Å; I45-L47 HydrophobicContact CG2-CD2 4.45Å; L47-L49 HydrophobicContact CB-CD2 4.1Å; L47-L49 HydrophobicContact CB-CG 4.3Å; L47-L104 HydrophobicContact CD1-CD1 3.44Å; L47-L104 VanDerWaalsContact CD1-CD1 3.44Å; L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD1-CG 4.46Å; L47-I204 WeakPolarHBondContact O-CA 3.11Å; L47-I205 HydrophobicContact CB-CG1 4.01Å; L47-I205 HydrophobicContact CD1-CD1 4.14Å; L47-I205 HydrophobicContact CD1-CG1 4.17Å; L47-I205 HydrophobicContact CG-CG1 4.24Å; L47-I205 PolarHBondContact N-O 3.32Å; L47-I205 PolarHBondContact O-N 3.01Å; L47-I207 HydrophobicContact CD1-CD1 3.74Å; L47-I207 HydrophobicContact CG-CD1 4.29Å
48F96.2Very high79.7Confident0 Ų050.1 Ų50.10%027%0.274CS..EExtended strand (participates in β ladder)trans-101.2111.4171.1-68.9-99.9000108.9R26 H27 V29 V46 L149 F150 F164 C167 I204R26-F48 PolarHBondContact N-O 3.31Å; H27-F48 HydrophobicContact CB-CB 4.07Å; H27-F48 HydrophobicContact CB-CD2 4.19Å; H27-F48 HydrophobicContact CB-CG 4.33Å; H27-F48 AromaticContact CD2-CD2 3.99Å; H27-F48 PolarHBondContact O-N 3.19Å; V29-F48 HydrophobicContact CG2-CD2 4.29Å; V29-F48 HydrophobicContact CG2-CE2 3.62Å; V46-F48 HydrophobicContact CB-CE2 4.45Å; V46-F48 HydrophobicContact CG1-CD2 4.43Å; V46-F48 HydrophobicContact CG1-CE2 3.8Å; V46-F48 HydrophobicContact CG1-CZ 4.26Å; F48-L149 HydrophobicContact CD1-CD2 4.07Å; F48-L149 HydrophobicContact CE1-CD2 3.97Å; F48-F150 HydrophobicContact CB-CE1 3.83Å; F48-F150 HydrophobicContact CB-CZ 3.84Å; F48-F164 HydrophobicContact CB-CE1 4.23Å; F48-F164 AromaticContact CD1-CD1 3.49Å; F48-F164 HydrophobicContact CD1-CD1 3.49Å; F48-F164 VanDerWaalsContact CD1-CD1 3.49Å; F48-F164 AromaticContact CD1-CE1 3.53Å; F48-F164 HydrophobicContact CD1-CE1 3.53Å; F48-F164 AromaticContact CD2-CD1 3.92Å; F48-F164 HydrophobicContact CD2-CD1 3.92Å; F48-F164 HydrophobicContact CD2-CE1 4.23Å; F48-F164 AromaticContact CE1-CD1 3.36Å; F48-F164 HydrophobicContact CE1-CD1 3.36Å; F48-F164 AromaticContact CE1-CE1 3.9Å; F48-F164 HydrophobicContact CE1-CE1 3.9Å; F48-F164 HydrophobicContact CE1-CG 4.46Å; F48-F164 HydrophobicContact CE2-CB 4.28Å; F48-F164 AromaticContact CE2-CD1 3.83Å; F48-F164 HydrophobicContact CE2-CD1 3.83Å; F48-F164 HydrophobicContact CE2-CG 4.41Å; F48-F164 AromaticContact CG-CD1 3.77Å; F48-F164 HydrophobicContact CG-CD1 3.77Å; F48-F164 AromaticContact CG-CE1 3.72Å; F48-F164 HydrophobicContact CG-CE1 3.72Å; F48-F164 HydrophobicContact CZ-CB 4.1Å; F48-F164 AromaticContact CZ-CD1 3.55Å; F48-F164 HydrophobicContact CZ-CD1 3.55Å; F48-F164 HydrophobicContact CZ-CE1 4.42Å; F48-F164 HydrophobicContact CZ-CG 4.28Å; F48-C167 HydrophobicContact CE1-CB 3.95Å; F48-C167 HydrophobicContact CZ-CB 3.82Å; F48-I204 HydrophobicContact CD1-CD1 3.72Å; F48-I204 HydrophobicContact CD1-CG1 3.81Å; F48-I204 HydrophobicContact CE1-CD1 3.26Å; F48-I204 HydrophobicContact CE1-CG1 3.87Å; F48-I204 HydrophobicContact CE1-CG2 4.39Å; F48-I204 HydrophobicContact CZ-CD1 4.02Å; F48-I204 HydrophobicContact CZ-CG2 4.38Å
49L94.8Very high76.9Confident0 Ų047.4 Ų47.40%027%0.27CS..EExtended strand (participates in β ladder)trans-104.9131.6-166.8-58.9172.3000111.3I23 L24 V25 L47 L102 F201 P202 R203 I205I23-L49 HydrophobicContact CD1-CB 3.78Å; I23-L49 HydrophobicContact CD1-CD1 4.15Å; I23-L49 HydrophobicContact CD1-CG 4.4Å; I23-L49 HydrophobicContact CG1-CB 4Å; L24-L49 CarbonylContact O-C 2.98Å; L24-L49 WeakPolarHBondContact O-CA 3.41Å; V25-L49 HydrophobicContact CB-CD2 4.47Å; V25-L49 HydrophobicContact CG2-CD2 3.71Å; L47-L49 HydrophobicContact CB-CD2 4.1Å; L47-L49 HydrophobicContact CB-CG 4.3Å; L49-L102 HydrophobicContact CD1-CD2 3.89Å; L49-L102 HydrophobicContact CD2-CD2 4.46Å; L49-F201 HydrophobicContact CD1-CD1 4.15Å; L49-F201 HydrophobicContact CD1-CE1 3.99Å; L49-P202 WeakPolarHBondContact CD1-O 3.37Å; L49-R203 PolarHBondContact N-O 3.38Å; L49-R203 WeakPolarHBondContact O-CD 3.46Å; L49-I205 HydrophobicContact CD1-CD1 4.23Å; L49-I205 HydrophobicContact CD1-CG1 4.12Å; L49-I205 HydrophobicContact CD1-CG2 4.4Å
50E92.9Very high74.3Confident60 Ų6046.7 Ų46.728%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-118.5115.7173.1-171.7-180-146.600109.6L24 R26 F150L24-E50 PolarHBondContact N-O 3.09Å; L24-E50 PolarHBondContact O-N 2.94Å; R26-E50 HydrophobicContact CG-CB 3.73Å; R26-E50 IonicContact CZ-OE2 2.97Å; R26-E50 IonicContact NE-OE2 2.65Å; R26-E50 PolarHBondContact NE-OE2 3.3Å; R26-E50 IonicContact NH2-OE2 2.69Å; R26-E50 PolarHBondContact NH2-OE2 3.45Å; E50-F150 HydrophobicContact CB-CD2 4.16Å; E50-F150 HydrophobicContact CB-CE2 3.76Å; E50-F150 HydrophobicContact CG-CD2 4.26Å; E50-F150 HydrophobicContact CG-CE2 4.3Å
51P90.8Very high71.3Confident15 Ų1548.9 Ų48.910%0.09729%0.291CS..EExtended strand (participates in β ladder)trans-67141172.6-17.530.2000111.4I23 S198 R203I23-P51 HydrophobicContact CD1-CG 4.49Å; P51-S198 VanDerWaalsContact CG-O 3.28Å; P51-S198 WeakPolarHBondContact CG-O 3.28Å; P51-R203 VanDerWaalsContact CD-CZ 3.47Å
52C85.9Confident67.9Low16 Ų1655.1 Ų55.111%0.10832%0.324CS..PPolyproline II helixtrans-73.4137.1174-630000110.3N21 H22 Q199N21-C52 WeakPolarHBondContact O-CB 3.46Å; N21-C52 PolarHBondContact O-SG 3.39Å; H22-C52 PolarHBondContact O-N 2.95Å; C52-Q199 PolarHBondContact O-NE2 3.17Å; C52-Q199 VanDerWaalsContact O-NE2 3.13Å
53S66.3Low65Low50 Ų5059.9 Ų59.935%0.3534%0.344SS..PPolyproline II helixtrans-73.2152.4171.369.50000110.8E55 M56 A57S53-E55 PolarHBondContact O-N 3.48Å; S53-E55 VanDerWaalsContact O-N 3.1Å; S53-M56 PolarHBondContact O-N 2.96Å; S53-M56 PolarHBondContact OG-N 3.07Å; S53-A57 PolarHBondContact O-N 3.18Å
54A48.4Very low61.9Low85 Ų8561.1 Ų61.170%0.70236%0.357SS*.Hα-helixtrans-60-21.1177.600000113.4
55E37.9Very low58.7Low160 Ų16064.8 Ų64.875%0.74838%0.381SS*.Hα-helixtrans-80.4-36.5174.1-69.5-173.1159.400112.7S53 A57 K58 T59S53-E55 PolarHBondContact O-N 3.48Å; S53-E55 VanDerWaalsContact O-N 3.1Å; E55-A57 VanDerWaalsContact C-N 3.3Å; E55-A57 PolarHBondContact O-N 2.94Å; E55-K58 PolarHBondContact O-N 3.11Å; E55-T59 PolarHBondContact O-N 3.42Å; E55-T59 PolarHBondContact O-OG1 3.38Å
56M37.4Very low55.3Low99 Ų9974.2 Ų74.249%0.48843%0.425SS..Hα-helixtrans-66.8-29.8174.2-81.9-173.8170.600112.9S53 K58 T59 K60S53-M56 PolarHBondContact O-N 2.96Å; S53-M56 PolarHBondContact OG-N 3.07Å; M56-K58 VanDerWaalsContact C-N 3.3Å; M56-T59 WeakPolarHBondContact CA-OG1 3.45Å; M56-K60 PolarHBondContact O-N 3.42Å
57A34.8Very low52Low48 Ų4880.1 Ų80.140%0.39746%0.461SS..Hα-helixtrans-66.3-32.2173.500000112.2S53 E55S53-A57 PolarHBondContact O-N 3.18Å; E55-A57 VanDerWaalsContact C-N 3.3Å; E55-A57 PolarHBondContact O-N 2.94Å
58K30.2Very low48.7Very low152 Ų15283.6 Ų83.666%0.66150%0.497SS*.Hα-helixtrans-80.8-40175.9-72.1-176.2178.1-177.80112.9E55 M56 K60 A61 D62E55-K58 PolarHBondContact O-N 3.11Å; M56-K58 VanDerWaalsContact C-N 3.3Å; K58-K60 PolarHBondContact O-N 2.76Å; K58-A61 PolarHBondContact O-N 3.19Å; K58-A61 VanDerWaalsContact O-N 3.1Å; K58-D62 PolarHBondContact O-N 2.79Å; K58-D62 VanDerWaalsContact O-N 3.14Å
59T31.2Very low45.5Very low90 Ų9091.7 Ų91.755%0.55254%0.54SS*.Hα-helixtrans-68.3-21.3178.68.20000113.3E55 M56 I63E55-T59 PolarHBondContact O-N 3.42Å; E55-T59 PolarHBondContact O-OG1 3.38Å; M56-T59 WeakPolarHBondContact CA-OG1 3.45Å; T59-I63 WeakPolarHBondContact O-CG1 3.5Å
60K38.8Very low42.2Very low83 Ų8395.1 Ų95.136%0.36158%0.575SS.*THydrogen-bonded Turntrans-78.1-22.6171.6-80.2-176.1175.8-177.80113.9M56 K58M56-K60 PolarHBondContact O-N 3.42Å; K58-K60 PolarHBondContact O-N 2.76Å
61A31.6Very low39Very low82 Ų8297 Ų9768%0.67860%0.602SS**THydrogen-bonded Turntrans-88-26.8177.100000113K58K58-A61 PolarHBondContact O-N 3.19Å; K58-A61 VanDerWaalsContact O-N 3.1Å
62D26.3Very low35.9Very low132 Ų132108.2 Ų108.271%0.70664%0.642SS**  trans-107.918.4-170.1-87-24.8000116.2K58 G64K58-D62 PolarHBondContact O-N 2.79Å; K58-D62 VanDerWaalsContact O-N 3.14Å; D62-G64 PolarHBondContact O-N 2.93Å
63I34.5Very low33Very low141 Ų141117 Ų11772%0.72368%0.681SS**  trans-81.563.7163.5-47.1179.7000108.9T59T59-I63 WeakPolarHBondContact O-CG1 3.5Å
64G31.7Very low31Very low49 Ų49123.7 Ų123.751%0.50571%0.707SS.*SBendtrans-103.1153.8157.300000108.5D62 E66D62-G64 PolarHBondContact O-N 2.93Å; G64-E66 PolarHBondContact O-N 3.33Å
65P30.4Very low30Very low97 Ų97125 Ų12563%0.6371%0.708SS**  trans-65.2125.7-179.726.4-31000109.9T67P65-T67 VanDerWaalsContact C-N 3.33Å; P65-T67 PolarHBondContact O-N 2.97Å
66E26.3Very low29.3Very low198 Ų198125.5 Ų125.593%0.92572%0.716SS**  trans-58.696.7162.7-72.9-171.4160.900108.6G64 G68G64-E66 PolarHBondContact O-N 3.33Å; E66-G68 PolarHBondContact O-N 3.11Å
67T28.9Very low28.7Very low126 Ų126129.8 Ų129.877%0.77374%0.735SS**  trans-84.8101.3162.553.20000107.6P65 D69P65-T67 VanDerWaalsContact C-N 3.33Å; P65-T67 PolarHBondContact O-N 2.97Å; T67-D69 PolarHBondContact O-N 3.48Å
68G27.7Very low28.2Very low73 Ų73137 Ų13775%0.75376%0.761SS**  trans-67.1121.3159.800000109.1E66E66-G68 PolarHBondContact O-N 3.11Å
69D27.8Very low27.8Very low170 Ų170133.3 Ų133.391%0.90977%0.765SS**  -162.6141.7128.5-126.1-19.8000112.3T67T67-D69 PolarHBondContact O-N 3.48Å
70G26.7Very low27.5Very low71 Ų71136.2 Ų136.273%0.73278%0.783SS**  trans-85.6128.517600000111.6
71A25.4Very low26.7Very low101 Ų101141.4 Ų141.484%0.83581%0.806SS**  trans-159.1123.8149.700000110.3
72R25.3Very low26.3Very low249 Ų249148 Ų14894%0.9482%0.819SS**  trans-67.6134170.3-68.6171.1171.5174.1-4.2109.9
73Q24.7Very low26.1Very low201 Ų201145.4 Ų145.494%0.93982%0.824SS**  trans-159.9134.8144.1-110165.42100111.4
74E25Very low25.5Very low191 Ų191143.4 Ų143.489%0.89382%0.823SS**  trans-78.3167.7-176.7-92.3-176.1179.800113.4
75P27Very low25Very low112 Ų112149.6 Ų149.673%0.72784%0.844SS**  trans-92.4150.9-158.235.9-32000113.4
76N23.4Very low24.8Very low170 Ų170150.2 Ų150.291%0.90985%0.846SS**  trans-121.3118.7160.2-96.8-8.4000109.7
77E24.7Very low24.7Very low190 Ų190150.3 Ų150.389%0.88885%0.847SS**  trans-69.4133.7163.6-64.4177.9148.700109.7
78E24.8Very low24.5Very low200 Ų200148.3 Ų148.394%0.93585%0.851SS**  trans-164.7118.2139.3-110.6175.3-163.500108.9
79G22Very low24.6Very low74 Ų74149.2 Ų149.276%0.76385%0.846SS**  trans-87.4162.1-172.100000114.3
80T23.5Very low24.6Very low150 Ų150148.9 Ų148.992%0.9284%0.844SS**  trans-150.7123.6146.9-41.90000109.1
81K22.3Very low24.7Very low193 Ų193153.1 Ų153.184%0.83985%0.849SS**  trans-80.3149.6-179.1-72.9177171.3-1790111.6
82F22.9Very low25.1Very low220 Ų220156.7 Ų156.797%0.96585%0.846SS**  trans166.8128.2133.4-94.6-69.6000108.6
83G22.6Very low25.5Very low78 Ų78154.4 Ų154.480%0.80485%0.846SS**  cis-155.9150.9-7.200000108.5
84S22.3Very low25.5Very low99 Ų99150.4 Ų150.469%0.69284%0.84SS**  trans-94.2122.4-175.651.90000110.7
85D22.1Very low26Very low178 Ų178146.7 Ų146.795%0.95284%0.835SS**  trans-105.690.2151.9-85-27.7000107.7
86T25.7Very low26.5Very low110 Ų110148.5 Ų148.568%0.67584%0.839SS**  trans-107.3102.4170.4-41.10000106.8
87Q24Very low27.8Very low201 Ų201144.6 Ų144.694%0.93983%0.83SS**  trans-134112.5159.3-84.4-169.8-2.800108.1
88G24.9Very low30.4Very low84 Ų84142.4 Ų142.487%0.86682%0.82SS**  trans144.921.8172.600000117.3
89S29Very low33.4Very low91 Ų91134.7 Ų134.764%0.63679%0.785SS**  trans-129.998.2165.765.20000109.5
90D27.7Very low36.7Very low163 Ų163132.3 Ų132.387%0.87275%0.754SS**  trans-18084.8150.5-95.7-16.9000108.6
91L29.4Very low40Very low161 Ų161126.5 Ų126.584%0.84372%0.718SS**  trans-149.642.9167.3-106.7177.2000112.3
92F32.9Very low43.5Very low175 Ų175117.3 Ų117.377%0.76868%0.678SS**  trans-145.576.9162.8-83.7-75.2000112
93Q34.1Very low47Very low202 Ų202108 Ų10894%0.94464%0.639SS**  trans-15079.5148.1-108175.319.800108.6
94S24.8Very low50.5Low116 Ų116104.2 Ų104.281%0.81160%0.601SS**SBendtrans-148.8141.9156.772.20000109.9N96S94-N96 PolarHBondContact O-N 3.15Å
95S36.8Very low54Low113 Ų11399.5 Ų99.579%0.7957%0.568SS**SBendtrans-62.4108.8-171.650.10000114.3
96N36.9Very low57.3Low151 Ų15191 Ų9181%0.80752%0.522SS*.  trans-172.2119142-90-20.5000106S94 E98S94-N96 PolarHBondContact O-N 3.15Å; N96-E98 PolarHBondContact O-N 2.97Å; N96-E98 VanDerWaalsContact O-N 3.11Å
97A51.3Low60.4Low88 Ų8886.6 Ų86.673%0.72750%0.496SS*.  trans-65.6113.6178.200000108.7T196A97-T196 HydrophobicContact CB-CG2 4.2Å
98E77.9Confident63.5Low143 Ų14380.1 Ų80.167%0.66847%0.467SS*.PPolyproline II helixtrans-68139.1177.3-66.7-169.816300110.4N96N96-E98 PolarHBondContact O-N 2.97Å; N96-E98 VanDerWaalsContact O-N 3.11Å
99D87.8Confident66.8Low38 Ų3876.4 Ų76.420%0.20343%0.428CS..PPolyproline II helixtrans-65.1142.3176-65.9-43.7000110.9M193 G194 V195D99-M193 WeakPolarHBondContact OD2-CE 3.48Å; D99-G194 PolarHBondContact OD1-N 3.07Å; D99-V195 CarbonylContact C-O 3.52Å; D99-V195 WeakPolarHBondContact CA-O 3.41Å
100F92Very high69.9Low25 Ų2576.6 Ų76.611%0.1142%0.418CS..PPolyproline II helixtrans-60.8139.2173.8176.3-95.6000110.8H22 I23 L102 V195 F201H22-F100 HydrophobicContact CB-CE2 3.9Å; H22-F100 HydrophobicContact CB-CZ 4.04Å; I23-F100 HydrophobicContact CG2-CZ 4.16Å; F100-L102 HydrophobicContact CE1-CB 4.48Å; F100-V195 HydrophobicContact CB-CG1 4.44Å; F100-V195 PolarHBondContact N-O 3.32Å; F100-F201 HydrophobicContact CD1-CB 3.95Å; F100-F201 AromaticContact CD1-CD2 3.55Å; F100-F201 HydrophobicContact CD1-CD2 3.55Å; F100-F201 HydrophobicContact CD1-CE2 4.26Å; F100-F201 AromaticContact CD1-CG 3.88Å; F100-F201 HydrophobicContact CD1-CG 3.88Å; F100-F201 HydrophobicContact CE1-CB 4.05Å; F100-F201 AromaticContact CE1-CD2 3.98Å; F100-F201 HydrophobicContact CE1-CD2 3.98Å; F100-F201 AromaticContact CE1-CG 3.93Å; F100-F201 HydrophobicContact CE1-CG 3.93Å
101T93.6Very high73.2Confident28 Ų2869.6 Ų69.617%0.17238%0.382CS..EExtended strand (participates in β ladder)trans-118.7118.7-179.1-50.10000109.5N19 V103 Q189 V190 K191N19-T101 PolarHBondContact ND2-O 3.01Å; T101-V103 HydrophobicContact CG2-CG2 4.01Å; T101-Q189 HydrophobicContact CG2-CB 3.74Å; T101-Q189 HydrophobicContact CG2-CG 4.28Å; T101-V190 WeakPolarHBondContact CA-O 3.45Å; T101-K191 HydrophobicContact CG2-CG 3.97Å; T101-K191 WeakPolarHBondContact OG1-CE 3.48Å
102L95.7Very high76.4Confident0 Ų065.6 Ų65.60%037%0.367CS..EExtended strand (participates in β ladder)trans-72.7128.1161.7170.368.6000108.1I23 L49 F100 L104 Q189 V190 F201 I205I23-L102 HydrophobicContact CG2-CD1 3.37Å; L49-L102 HydrophobicContact CD1-CD2 3.89Å; L49-L102 HydrophobicContact CD2-CD2 4.46Å; F100-L102 HydrophobicContact CE1-CB 4.48Å; L102-L104 HydrophobicContact CD1-CD2 4.23Å; L102-L104 HydrophobicContact CD2-CD1 4.31Å; L102-L104 HydrophobicContact CD2-CG 4.33Å; L102-L104 HydrophobicContact CG-CD2 4.43Å; L102-L104 HydrophobicContact CG-CG 4.23Å; L102-Q189 CarbonylContact O-C 3.51Å; L102-Q189 WeakPolarHBondContact O-CA 3.35Å; L102-V190 HydrophobicContact CB-CB 4.32Å; L102-V190 PolarHBondContact N-O 3.46Å; L102-V190 PolarHBondContact O-N 3.15Å; L102-F201 HydrophobicContact CB-CD1 4.46Å; L102-F201 HydrophobicContact CB-CE1 3.75Å; L102-F201 HydrophobicContact CB-CE2 4.23Å; L102-F201 HydrophobicContact CB-CZ 3.59Å; L102-F201 HydrophobicContact CD2-CE1 3.82Å; L102-F201 HydrophobicContact CD2-CZ 4.21Å; L102-F201 HydrophobicContact CG-CE1 4.38Å; L102-I205 HydrophobicContact CD2-CD1 3.51Å
103V95.6Very high79.3Confident23 Ų2362 Ų6214%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-116.5124.9176.4-172.40000108.3R17 A18 N19 T101 Q189R17-V103 HydrophobicContact CB-CG1 3.86Å; R17-V103 VanDerWaalsContact O-CG1 3.23Å; R17-V103 WeakPolarHBondContact O-CG1 3.34Å; A18-V103 VanDerWaalsContact CA-O 3.3Å; A18-V103 WeakPolarHBondContact CA-O 3.47Å; N19-V103 HydrophobicContact CB-CB 4.38Å; N19-V103 PolarHBondContact N-O 3.22Å; N19-V103 PolarHBondContact OD1-N 2.94Å; N19-V103 PolarHBondContact OD1-O 3.2Å; T101-V103 HydrophobicContact CG2-CG2 4.01Å; V103-Q189 HydrophobicContact CG2-CG 4.48Å
104L96.5Very high82.2Confident0 Ų052.8 Ų52.80%031%0.309CS..EExtended strand (participates in β ladder)trans-116.1143.4174.5-61.2170.7000108.9V25 L47 L102 C106 S187 L188 I207 P244 C245 Q246V25-L104 HydrophobicContact CG2-CD2 4.29Å; L47-L104 HydrophobicContact CD1-CD1 3.44Å; L47-L104 VanDerWaalsContact CD1-CD1 3.44Å; L47-L104 HydrophobicContact CD1-CD2 4.18Å; L47-L104 HydrophobicContact CD1-CG 4.46Å; L102-L104 HydrophobicContact CD1-CD2 4.23Å; L102-L104 HydrophobicContact CD2-CD1 4.31Å; L102-L104 HydrophobicContact CD2-CG 4.33Å; L102-L104 HydrophobicContact CG-CD2 4.43Å; L102-L104 HydrophobicContact CG-CG 4.23Å; L104-C106 PolarHBondContact O-N 3.03Å; L104-S187 CarbonylContact O-C 3.59Å; L104-S187 WeakPolarHBondContact O-CA 3.49Å; L104-S187 VanDerWaalsContact O-CB 3.3Å; L104-S187 WeakPolarHBondContact O-CB 3.47Å; L104-L188 HydrophobicContact CB-CB 4.43Å; L104-L188 HydrophobicContact CD1-CD2 4.32Å; L104-L188 PolarHBondContact N-O 2.96Å; L104-L188 PolarHBondContact O-N 3.41Å; L104-I207 HydrophobicContact CD1-CD1 3.79Å; L104-P244 HydrophobicContact CB-CB 4.4Å; L104-P244 HydrophobicContact CD1-CB 4.03Å; L104-C245 CarbonylContact C-O 3.57Å; L104-C245 WeakPolarHBondContact CA-O 3.45Å; L104-Q246 HydrophobicContact CD2-CG 3.95Å
105D95.3Very high85.5Confident0 Ų048.3 Ų48.30%028%0.275CS..EExtended strand (participates in β ladder)trans-68126.9168.6-60.9-59.7000109L16 R17 A18 R240 C245 E247 P248L16-D105 WeakPolarHBondContact CA-OD1 3.46Å; R17-D105 PolarHBondContact N-OD1 3.24Å; A18-D105 WeakPolarHBondContact CB-OD2 3.47Å; A18-D105 PolarHBondContact N-OD1 3.08Å; D105-R240 HydrophobicContact CB-CB 4.1Å; D105-C245 PolarHBondContact N-O 3.34Å; D105-C245 PolarHBondContact O-N 3.27Å; D105-E247 HydrophobicContact CB-CB 4.18Å; D105-E247 HydrophobicContact CB-CG 3.86Å; D105-E247 PolarHBondContact OD2-N 3.07Å; D105-P248 WeakPolarHBondContact OD2-CD 3.39Å
106C92.3Very high88.1Confident0 Ų043.8 Ų43.80%024%0.242CC..  trans-159.9124.7-175175.30000108.9L104 W186 S187 L188 R240 P244L104-C106 PolarHBondContact O-N 3.03Å; C106-W186 PolarHBondContact N-O 3.12Å; C106-W186 VanDerWaalsContact N-O 3.08Å; C106-W186 CarbonylContact O-C 3.47Å; C106-W186 WeakPolarHBondContact O-CA 3.45Å; C106-W186 VanDerWaalsContact O-O 3.12Å; C106-S187 PolarHBondContact O-N 3.48Å; C106-S187 VanDerWaalsContact O-N 3.09Å; C106-L188 HydrophobicContact CB-CB 3.85Å; C106-R240 WeakPolarHBondContact CA-O 3.14Å; C106-P244 HydrophobicContact CB-CB 4.46Å
107C90.6Very high90.7Very high17 Ų1736.6 Ų36.612%0.11520%0.203CC..  trans-138.2155.116976.40000109.7L109 R185 W186 R240 A241C107-L109 WeakPolarHBondContact O-CG 3.26Å; C107-L109 PolarHBondContact O-N 3.19Å; C107-R185 VanDerWaalsContact CB-O 3.31Å; C107-R185 WeakPolarHBondContact CB-O 3.37Å; C107-W186 HydrophobicContact CB-CE3 4.48Å; C107-R240 HydrophobicContact CB-CG 4.43Å; C107-R240 PolarHBondContact N-O 3.13Å; C107-A241 VanDerWaalsContact O-CA 3.23Å; C107-A241 WeakPolarHBondContact O-CA 3.35Å
108D89.4Confident92.3Very high64 Ų6434.2 Ų34.234%0.34218%0.178SC..SBendtrans53.628.4175.9-56-54000116.1R212 G215 A241D108-R212 HydrophobicContact CB-CB 4.42Å; D108-R212 WeakPolarHBondContact O-CB 3.45Å; D108-R212 VanDerWaalsContact O-CG 3.25Å; D108-R212 WeakPolarHBondContact O-CG 3.36Å; D108-R212 PolarHBondContact O-N 2.98Å; D108-G215 VanDerWaalsContact CB-CA 3.47Å; D108-A241 HydrophobicContact CB-CB 4.4Å
109L93.6Very high92.5Very high6 Ų627.4 Ų27.43%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-110.7150.2172.2-60.2-176.6000110.6C107 Y209 T211 A241 P244C107-L109 WeakPolarHBondContact O-CG 3.26Å; C107-L109 PolarHBondContact O-N 3.19Å; L109-Y209 HydrophobicContact CD1-CD2 4.12Å; L109-Y209 HydrophobicContact CD1-CE2 4.44Å; L109-Y209 HydrophobicContact CD2-CD2 4.09Å; L109-Y209 HydrophobicContact CD2-CE2 4.33Å; L109-T211 HydrophobicContact CD2-CG2 3.96Å; L109-A241 VanDerWaalsContact CD2-O 3.31Å; L109-A241 WeakPolarHBondContact CD2-O 3.41Å; L109-P244 HydrophobicContact CD1-CG 3.92Å
110E94.9Very high92Very high95 Ų9529.4 Ų29.444%0.44416%0.157SC..EExtended strand (participates in β ladder)trans-108103.2168.2-175178.9165.600109Y209 M210E110-Y209 CarbonylContact O-C 3.54Å; E110-Y209 WeakPolarHBondContact O-CA 3.25Å; E110-M210 HydrophobicContact CB-CG 3.89Å; E110-M210 PolarHBondContact N-O 3.3Å; E110-M210 PolarHBondContact O-N 2.66Å
111V96.4Very high91.1Very high17 Ų1731.7 Ų31.710%0.10318%0.176CC..EExtended strand (participates in β ladder)trans-86.7119.8178.1-178.80000109V114 F181 L188 I207V111-V114 HydrophobicContact CG1-CG2 3.89Å; V111-F181 HydrophobicContact CB-CD2 4.37Å; V111-F181 HydrophobicContact CB-CE2 3.98Å; V111-F181 HydrophobicContact CG1-CD2 3.89Å; V111-F181 HydrophobicContact CG1-CE2 3.64Å; V111-F181 HydrophobicContact CG1-CZ 4.16Å; V111-F181 WeakPolarHBondContact O-CE2 3.35Å; V111-L188 HydrophobicContact CB-CD1 4.49Å; V111-L188 HydrophobicContact CG1-CD1 4.34Å; V111-L188 HydrophobicContact CG2-CD1 4.2Å; V111-L188 HydrophobicContact CG2-CD2 4.17Å; V111-I207 HydrophobicContact CG1-CG2 3.72Å; V111-I207 HydrophobicContact CG2-CG2 4.39Å
112S95.3Very high90.4Very high77 Ų7731 Ų3154%0.53817%0.172SC..EExtended strand (participates in β ladder)trans-97.5-31.9-175.360.30000113.1Y208S112-Y208 PolarHBondContact N-O 2.92Å; S112-Y208 WeakPolarHBondContact OG-CB 3.45Å; S112-Y208 PolarHBondContact OG-O 3.15Å; S112-Y208 VanDerWaalsContact OG-O 3.07Å
113K94.9Very high89.5Confident99 Ų9931.7 Ų31.743%0.4318%0.177SC..EExtended strand (participates in β ladder)trans-158.3140.5-176.6-171-174.6-172.1-164.30110.8E115 I207 Y208K113-E115 WeakPolarHBondContact CE-OE2 3.38Å; K113-E115 IonicContact NZ-OE2 3.25Å; K113-E115 PolarHBondContact NZ-OE2 3.44Å; K113-I207 WeakPolarHBondContact O-CA 3.34Å; K113-Y208 HydrophobicContact CB-CD2 3.82Å; K113-Y208 HydrophobicContact CB-CG 4.37Å; K113-Y208 HydrophobicContact CD-CD2 4.06Å; K113-Y208 HydrophobicContact CD-CE2 4.04Å; K113-Y208 HydrophobicContact CG-CD2 4.21Å; K113-Y208 PolarHBondContact O-N 3.26Å
114V95.1Very high88.4Confident9 Ų934 Ų346%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-124.3129.3167.3-174.20000108.1V111 L179 F181 V190 I205 R206 I207V111-V114 HydrophobicContact CG1-CG2 3.89Å; V114-L179 HydrophobicContact CB-CB 4.49Å; V114-L179 HydrophobicContact CG1-CB 4.2Å; V114-L179 HydrophobicContact CG1-CD1 3.87Å; V114-F181 HydrophobicContact CB-CB 4.43Å; V114-F181 HydrophobicContact CB-CD1 3.89Å; V114-F181 HydrophobicContact CB-CG 4.32Å; V114-F181 HydrophobicContact CG2-CB 3.84Å; V114-F181 HydrophobicContact CG2-CD1 3.59Å; V114-F181 HydrophobicContact CG2-CD2 4.24Å; V114-F181 HydrophobicContact CG2-CE1 4.19Å; V114-F181 HydrophobicContact CG2-CG 3.62Å; V114-V190 HydrophobicContact CG1-CG1 3.87Å; V114-V190 HydrophobicContact CG1-CG2 4.28Å; V114-I205 HydrophobicContact CG1-CD1 4.45Å; V114-R206 CarbonylContact C-O 2.89Å; V114-R206 WeakPolarHBondContact CA-O 3.45Å; V114-I207 HydrophobicContact CG1-CG1 4.09Å; V114-I207 HydrophobicContact CG2-CG1 4.17Å; V114-I207 HydrophobicContact CG2-CG2 4.21Å
115E93.6Very high87.1Confident22 Ų2238.1 Ų38.110%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-137.1147.8-18066.7-173.8-179.500112K113 I205 R206 Y208K113-E115 WeakPolarHBondContact CE-OE2 3.38Å; K113-E115 IonicContact NZ-OE2 3.25Å; K113-E115 PolarHBondContact NZ-OE2 3.44Å; E115-I205 CarbonylContact O-C 3.6Å; E115-I205 WeakPolarHBondContact O-CA 3.07Å; E115-R206 HydrophobicContact CG-CB 3.92Å; E115-R206 PolarHBondContact N-O 3.41Å; E115-R206 PolarHBondContact O-N 2.96Å; E115-R206 WeakPolarHBondContact OE1-CD 3.49Å; E115-R206 IonicContact OE1-CZ 3.42Å; E115-R206 IonicContact OE1-NE 3.62Å; E115-R206 IonicContact OE1-NH1 2.71Å; E115-R206 PolarHBondContact OE1-NH1 2.95Å; E115-Y208 HydrophobicContact CG-CE2 4.13Å; E115-Y208 VanDerWaalsContact OE1-CE2 3.26Å; E115-Y208 WeakPolarHBondContact OE1-CE2 3.29Å; E115-Y208 PolarHBondContact OE1-OH 3.33Å
116E92.1Very high85.8Confident18 Ų1841 Ų418%0.08425%0.247CC..EExtended strand (participates in β ladder)trans-79.8134.6169.9179.6170.4-165.500109.4G172 I173 L179 K192 P202E116-G172 CarbonylContact O-C 3.52Å; E116-G172 WeakPolarHBondContact O-CA 3.33Å; E116-I173 HydrophobicContact CB-CD1 4.31Å; E116-I173 HydrophobicContact CG-CD1 3.63Å; E116-I173 HydrophobicContact CG-CG1 4.28Å; E116-I173 PolarHBondContact O-N 3.06Å; E116-L179 HydrophobicContact CB-CD1 4.18Å; E116-K192 VanDerWaalsContact CD-NZ 3.32Å; E116-K192 IonicContact OE1-NZ 3.45Å; E116-K192 PolarHBondContact OE1-NZ 3.02Å; E116-K192 VanDerWaalsContact OE1-NZ 3.13Å; E116-K192 WeakPolarHBondContact OE2-CE 3.35Å; E116-K192 IonicContact OE2-NZ 3.13Å; E116-K192 PolarHBondContact OE2-NZ 2.98Å; E116-P202 HydrophobicContact CB-CB 4.49Å; E116-P202 HydrophobicContact CG-CB 3.86Å; E116-P202 HydrophobicContact CG-CG 4.18Å; E116-P202 WeakPolarHBondContact OE1-CB 3.41Å; E116-P202 WeakPolarHBondContact OE1-CG 3.48Å
117V90.3Very high84.1Confident0 Ų043.8 Ų43.80%028%0.276CS..BIsolated β-bridgetrans-90129.3-175.5178.20000110.6V46 T119 Q142 C167 I204 R206V46-V117 HydrophobicContact CG1-CG2 4.31Å; V117-T119 PolarHBondContact O-N 2.93Å; V117-Q142 PolarHBondContact O-NE2 3.46Å; V117-C167 WeakPolarHBondContact CG1-O 3.33Å; V117-I204 HydrophobicContact CB-CB 4.02Å; V117-I204 HydrophobicContact CB-CG2 3.62Å; V117-I204 HydrophobicContact CG1-CG2 4.2Å; V117-I204 HydrophobicContact CG2-CB 4.48Å; V117-I204 HydrophobicContact CG2-CG2 3.67Å; V117-I204 PolarHBondContact N-O 3.01Å; V117-I204 VanDerWaalsContact N-O 3.08Å; V117-R206 HydrophobicContact CG2-CB 3.84Å
118D86.1Confident82.5Confident38 Ų3846.4 Ų46.420%0.20329%0.285CS..  trans-76.8111176.1-179.63000111.1D120 S170 P171 I173D118-D120 WeakPolarHBondContact OD1-CB 3.35Å; D118-D120 PolarHBondContact OD1-N 3.36Å; D118-S170 WeakPolarHBondContact O-CB 3.37Å; D118-S170 PolarHBondContact O-OG 3.29Å; D118-S170 VanDerWaalsContact O-OG 3.08Å; D118-P171 WeakPolarHBondContact CB-O 3.4Å; D118-P171 PolarHBondContact N-O 2.86Å; D118-I173 HydrophobicContact CB-CG1 4Å
119T80.7Confident80.2Confident0 Ų048.3 Ų48.30%030%0.301CS..  trans-98.6-5.1176.850.80000114.2V117 S121 V122 S123 Q142 C167 I204V117-T119 PolarHBondContact O-N 2.93Å; T119-S121 PolarHBondContact O-N 2.74Å; T119-V122 PolarHBondContact O-N 2.98Å; T119-S123 PolarHBondContact O-N 3.46Å; T119-S123 PolarHBondContact O-OG 3.07Å; T119-Q142 VanDerWaalsContact OG1-CG 3.28Å; T119-Q142 WeakPolarHBondContact OG1-CG 3.46Å; T119-Q142 PolarHBondContact OG1-NE2 3.44Å; T119-C167 HydrophobicContact CG2-CB 4.41Å; T119-I204 HydrophobicContact CG2-CD1 3.36Å; T119-I204 HydrophobicContact CG2-CG1 4.42Å
120D78.2Confident77.9Confident80 Ų8055.1 Ų55.143%0.42834%0.337SS..Hα-helixtrans-63.4-35-175.2-68.8-17.6000111.1D118 V122 S123 A124D118-D120 WeakPolarHBondContact OD1-CB 3.35Å; D118-D120 PolarHBondContact OD1-N 3.36Å; D120-V122 VanDerWaalsContact C-N 3.31Å; D120-V122 PolarHBondContact O-N 3.23Å; D120-S123 WeakPolarHBondContact CA-OG 3.44Å; D120-S123 PolarHBondContact O-OG 3.43Å; D120-S123 VanDerWaalsContact O-OG 3.05Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.27Å
121S72.9Confident74.9Confident72 Ų7256.4 Ų56.450%0.50335%0.351SS..Hα-helixtrans-64.4-35.5175.2-63.20000112.7T119 A125T119-S121 PolarHBondContact O-N 2.74Å; S121-A125 WeakPolarHBondContact O-CB 3.22Å; S121-A125 PolarHBondContact O-N 2.94Å
122V78.9Confident71.7Confident14 Ų1459.8 Ų59.89%0.08538%0.381CS..Hα-helixtrans-80.2-43.4-178.6-179.50000110.6T119 D120 A125 L126 F145 L166 S170T119-V122 PolarHBondContact O-N 2.98Å; D120-V122 VanDerWaalsContact C-N 3.31Å; D120-V122 PolarHBondContact O-N 3.23Å; V122-A125 PolarHBondContact O-N 3.37Å; V122-L126 HydrophobicContact CG1-CD1 3.86Å; V122-L126 WeakPolarHBondContact O-CD1 3.2Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.09Å; V122-F145 HydrophobicContact CG1-CZ 4.17Å; V122-L166 HydrophobicContact CG1-CB 4.2Å; V122-L166 HydrophobicContact CG2-CB 4.47Å; V122-S170 WeakPolarHBondContact CG2-OG 3.22Å
123S77.9Confident68.6Low15 Ų1561 Ų6111%0.10540%0.396CS..Hα-helixtrans-62.6-42.717765.60000111.5T119 D120 L126 G127 F128T119-S123 PolarHBondContact O-N 3.46Å; T119-S123 PolarHBondContact O-OG 3.07Å; D120-S123 WeakPolarHBondContact CA-OG 3.44Å; D120-S123 PolarHBondContact O-OG 3.43Å; D120-S123 VanDerWaalsContact O-OG 3.05Å; S123-L126 PolarHBondContact O-N 3.05Å; S123-G127 PolarHBondContact O-N 3.41Å; S123-F128 PolarHBondContact O-N 3.08Å
124A72.4Confident65.4Low71 Ų7161 Ų6159%0.58741%0.409SS*.Hα-helixtrans-65.1-40.8177.100000112.7D120 L126 G127D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.27Å; A124-L126 PolarHBondContact O-N 3.17Å; A124-G127 PolarHBondContact O-N 2.89Å
125A67.9Low62.5Low87 Ų8769.9 Ų69.972%0.71945%0.449SS*.Hα-helixtrans-65.3-25.6178.900000113.4S121 V122S121-A125 WeakPolarHBondContact O-CB 3.22Å; S121-A125 PolarHBondContact O-N 2.94Å; V122-A125 PolarHBondContact O-N 3.37Å
126L67.7Low59.6Low61 Ų6175.6 Ų75.632%0.31948%0.48SS..THydrogen-bonded Turntrans-95.3-1-177.8-65.8164.3000113.5V122 S123 A124 F128 F145 L163V122-L126 HydrophobicContact CG1-CD1 3.86Å; V122-L126 WeakPolarHBondContact O-CD1 3.2Å; V122-L126 WeakPolarHBondContact O-CG 3.37Å; V122-L126 PolarHBondContact O-N 3.09Å; S123-L126 PolarHBondContact O-N 3.05Å; A124-L126 PolarHBondContact O-N 3.17Å; L126-F128 VanDerWaalsContact C-N 3.32Å; L126-F128 HydrophobicContact CB-CD2 3.96Å; L126-F128 HydrophobicContact CB-CE2 4.16Å; L126-F128 PolarHBondContact O-N 3.42Å; L126-F145 HydrophobicContact CD1-CE2 4.2Å; L126-L163 HydrophobicContact CD1-CD2 3.21Å; L126-L163 HydrophobicContact CD2-CD2 4.24Å; L126-L163 HydrophobicContact CG-CD2 4.36Å
127G58Low56.7Low58 Ų5882 Ų8260%0.59851%0.513SS*.THydrogen-bonded Turntrans68.926.1176.600000114.3S123 A124S123-G127 PolarHBondContact O-N 3.41Å; A124-G127 PolarHBondContact O-N 2.89Å
128F57Low54.1Low72 Ų7287.8 Ų87.832%0.31655%0.554SS.*  trans-61.4125.5168-84.6-85.8000108.6S123 L126 L130 F145 H148S123-F128 PolarHBondContact O-N 3.08Å; L126-F128 VanDerWaalsContact C-N 3.32Å; L126-F128 HydrophobicContact CB-CD2 3.96Å; L126-F128 HydrophobicContact CB-CE2 4.16Å; L126-F128 PolarHBondContact O-N 3.42Å; F128-L130 PolarHBondContact O-N 3.46Å; F128-F145 AromaticContact CD2-CD2 3.83Å; F128-F145 HydrophobicContact CD2-CD2 3.83Å; F128-F145 HydrophobicContact CD2-CE2 4.17Å; F128-F145 AromaticContact CE2-CD2 3.86Å; F128-F145 HydrophobicContact CE2-CD2 3.86Å; F128-F145 AromaticContact CE2-CE2 3.92Å; F128-F145 HydrophobicContact CE2-CE2 3.92Å; F128-F145 HydrophobicContact CG-CD2 4.32Å; F128-F145 HydrophobicContact CZ-CD2 4.38Å; F128-H148 HydrophobicContact CE1-CB 4.15Å; F128-H148 AromaticContact CE1-CD2 3.45Å; F128-H148 VanDerWaalsContact CE1-CD2 3.45Å; F128-H148 WeakPolarHBondContact CE1-CD2 3.43Å; F128-H148 AromaticContact CE1-CG 3.63Å; F128-H148 AromaticContact CE1-NE2 3.83Å; F128-H148 AromaticContact CZ-CD2 3.22Å; F128-H148 WeakPolarHBondContact CZ-CD2 3.48Å; F128-H148 AromaticContact CZ-CG 3.9Å; F128-H148 AromaticContact CZ-NE2 3.56Å
129P40.1Very low52Low104 Ų10491.6 Ų91.668%0.67558%0.579SS**  trans-66.4124.7-167-17.428.9000112.4T131P129-T131 VanDerWaalsContact C-N 3.35Å; P129-T131 PolarHBondContact O-N 2.81Å
130L44.8Very low51.1Low148 Ų14896 Ų9678%0.77560%0.603SS**  trans-83.374.7153.4-85161.3000108.4F128F128-L130 PolarHBondContact O-N 3.46Å
131T33.1Very low50.3Low123 Ų12395.1 Ų95.176%0.75560%0.602SS**  trans-175.7142.1169.138.80000111.2P129P129-T131 VanDerWaalsContact C-N 3.35Å; P129-T131 PolarHBondContact O-N 2.81Å
132A28.4Very low50.1Low88 Ų8892.6 Ų92.673%0.72758%0.583SS**  cis-170.5154.92.100000111.4
133A31.5Very low49.8Very low103 Ų10393.2 Ų93.285%0.85159%0.589SS**  trans59.782.1143.900000119.6
134S26.8Very low49.6Very low99 Ų9994.1 Ų94.169%0.69260%0.601SS**  -120.2128.4121.554.50000106.9D136S134-D136 PolarHBondContact O-N 3.12Å
135E34.5Very low50.2Low195 Ų19591 Ų9191%0.91157%0.574SS**SBendtrans-56.3128.6164.9-69.5177.2156.900106.9
136D31.7Very low50.9Low141 Ų14187 Ų8775%0.75454%0.54SS*.SBendtrans86.9117.4-170.7-57.5-29.7000116.9S134S134-D136 PolarHBondContact O-N 3.12Å
137I32.8Very low51.7Low152 Ų15290.8 Ų90.878%0.77956%0.557SS**  trans9093.7174.3-45.1170.6000115.2V139I137-V139 HydrophobicContact CG2-CG2 4.38Å; I137-V139 PolarHBondContact O-N 3.01Å; I137-V139 VanDerWaalsContact O-N 3.1Å
138S34.1Very low53Low123 Ų12391.9 Ų91.986%0.8655%0.546SS*.  trans-69.496.8166.562.20000110.3D140S138-D140 PolarHBondContact O-N 2.75Å
139V43.6Very low54.4Low118 Ų11888.5 Ų88.572%0.71553%0.531SS*.  trans-73.7120.7169.4-175.50000108.1I137 S141I137-V139 HydrophobicContact CG2-CG2 4.38Å; I137-V139 PolarHBondContact O-N 3.01Å; I137-V139 VanDerWaalsContact O-N 3.1Å; V139-S141 PolarHBondContact O-N 2.94Å
140D60.8Low56.7Low93 Ų9385.1 Ų85.150%0.49751%0.506SS..  trans-55.2119.7179.2-178.65.1000111.2S138 Q142 A143 G144S138-D140 PolarHBondContact O-N 2.75Å; D140-Q142 PolarHBondContact O-N 2.9Å; D140-Q142 PolarHBondContact OD1-N 3.22Å; D140-A143 HydrophobicContact CB-CB 4.17Å; D140-A143 WeakPolarHBondContact O-CB 3.48Å; D140-A143 PolarHBondContact O-N 3.18Å; D140-A143 VanDerWaalsContact O-N 3.1Å; D140-G144 PolarHBondContact O-N 3.18Å
141S62Low58.7Low60 Ų6082 Ų8242%0.4250%0.496SS..Hα-helixtrans-60.4-28.4-177.347.30000112.9V139 F145V139-S141 PolarHBondContact O-N 2.94Å; S141-F145 PolarHBondContact O-N 3.04Å
142Q68.6Low61.4Low20 Ų2076.9 Ų76.99%0.09346%0.464CS..Hα-helixtrans-68.4-44.3175.5177.9165.827.700111.2V117 T119 D140 G144 F145 I146V117-Q142 PolarHBondContact O-NE2 3.46Å; T119-Q142 VanDerWaalsContact OG1-CG 3.28Å; T119-Q142 WeakPolarHBondContact OG1-CG 3.46Å; T119-Q142 PolarHBondContact OG1-NE2 3.44Å; D140-Q142 PolarHBondContact O-N 2.9Å; D140-Q142 PolarHBondContact OD1-N 3.22Å; Q142-G144 VanDerWaalsContact C-N 3.32Å; Q142-G144 PolarHBondContact O-N 2.87Å; Q142-F145 PolarHBondContact O-N 3.15Å; Q142-I146 WeakPolarHBondContact O-CG1 3.44Å; Q142-I146 PolarHBondContact O-N 3.27Å; Q142-I146 VanDerWaalsContact O-N 3.12Å
143A71.3Confident64.2Low27 Ų2775.8 Ų75.822%0.22345%0.449CS..Hα-helixtrans-61.1-41178.600000111.9D140 I146 Q147D140-A143 HydrophobicContact CB-CB 4.17Å; D140-A143 WeakPolarHBondContact O-CB 3.48Å; D140-A143 PolarHBondContact O-N 3.18Å; D140-A143 VanDerWaalsContact O-N 3.1Å; A143-I146 PolarHBondContact O-N 3.32Å; A143-Q147 WeakPolarHBondContact O-CB 3.17Å; A143-Q147 PolarHBondContact O-N 3.41Å
144G75.6Confident66.8Low34 Ų3471.9 Ų71.935%0.35142%0.416SS..Hα-helixtrans-64.2-41.5177.200000113.7D140 Q142 Q147 H148D140-G144 PolarHBondContact O-N 3.18Å; Q142-G144 VanDerWaalsContact C-N 3.32Å; Q142-G144 PolarHBondContact O-N 2.87Å; G144-Q147 PolarHBondContact O-N 2.83Å; G144-H148 PolarHBondContact O-N 3.06Å
145F83.4Confident69.7Low4 Ų471.6 Ų71.62%0.01841%0.414CS..Hα-helixtrans-63.7-44.4175.7169.6-105.4000112.2V122 L126 F128 S141 Q142 H148 L149V122-F145 HydrophobicContact CG1-CZ 4.17Å; L126-F145 HydrophobicContact CD1-CE2 4.2Å; F128-F145 AromaticContact CD2-CD2 3.83Å; F128-F145 HydrophobicContact CD2-CD2 3.83Å; F128-F145 HydrophobicContact CD2-CE2 4.17Å; F128-F145 AromaticContact CE2-CD2 3.86Å; F128-F145 HydrophobicContact CE2-CD2 3.86Å; F128-F145 AromaticContact CE2-CE2 3.92Å; F128-F145 HydrophobicContact CE2-CE2 3.92Å; F128-F145 HydrophobicContact CG-CD2 4.32Å; F128-F145 HydrophobicContact CZ-CD2 4.38Å; S141-F145 PolarHBondContact O-N 3.04Å; Q142-F145 PolarHBondContact O-N 3.15Å; F145-H148 WeakPolarHBondContact O-CB 3.37Å; F145-H148 PolarHBondContact O-N 3.4Å; F145-L149 HydrophobicContact CE1-CD2 4.45Å; F145-L149 WeakPolarHBondContact O-CB 3.29Å; F145-L149 PolarHBondContact O-N 3.44Å
146I83.6Confident72.3Confident3 Ų367.4 Ų67.42%0.01539%0.394CS..Hα-helixtrans-67.5-39.1179.2-60.1-59.8000111.6Q142 A143 H148 L149 F150 R203 I204Q142-I146 WeakPolarHBondContact O-CG1 3.44Å; Q142-I146 PolarHBondContact O-N 3.27Å; Q142-I146 VanDerWaalsContact O-N 3.12Å; A143-I146 PolarHBondContact O-N 3.32Å; I146-H148 VanDerWaalsContact C-N 3.29Å; I146-H148 PolarHBondContact O-N 2.86Å; I146-L149 HydrophobicContact CD1-CD2 4.18Å; I146-L149 WeakPolarHBondContact O-CB 3.4Å; I146-L149 PolarHBondContact O-N 2.96Å; I146-L149 VanDerWaalsContact O-N 3.15Å; I146-F150 HydrophobicContact CG2-CD2 3.86Å; I146-F150 HydrophobicContact CG2-CE1 4.49Å; I146-F150 HydrophobicContact CG2-CE2 3.37Å; I146-F150 HydrophobicContact CG2-CZ 3.74Å; I146-F150 PolarHBondContact O-N 3.16Å; I146-R203 HydrophobicContact CB-CB 4.4Å; I146-R203 HydrophobicContact CG1-CB 3.97Å; I146-R203 HydrophobicContact CG1-CG 4.47Å; I146-R203 HydrophobicContact CG2-CB 4.16Å; I146-R203 HydrophobicContact CG2-CG 4.5Å; I146-I204 HydrophobicContact CD1-CD1 3.59Å; I146-I204 HydrophobicContact CD1-CG1 3.87Å
147Q83.4Confident75Confident142 Ų14263.2 Ų63.266%0.66437%0.368SS*.Hα-helixtrans-62.5-38.9174.2-169.9177.313.600111.5A143 G144 F150 S151A143-Q147 WeakPolarHBondContact O-CB 3.17Å; A143-Q147 PolarHBondContact O-N 3.41Å; G144-Q147 PolarHBondContact O-N 2.83Å; Q147-F150 PolarHBondContact O-N 2.86Å; Q147-S151 WeakPolarHBondContact O-CB 3.46Å; Q147-S151 PolarHBondContact O-N 3.44Å; Q147-S151 PolarHBondContact O-OG 3.5Å
148H85.4Confident77.8Confident80 Ų8063.1 Ų63.137%0.3736%0.362SS..Hα-helixtrans-63-44.3171.7-176.178.2000111.9F128 G144 F145 I146 F150 S151 M152F128-H148 HydrophobicContact CE1-CB 4.15Å; F128-H148 AromaticContact CE1-CD2 3.45Å; F128-H148 VanDerWaalsContact CE1-CD2 3.45Å; F128-H148 WeakPolarHBondContact CE1-CD2 3.43Å; F128-H148 AromaticContact CE1-CG 3.63Å; F128-H148 AromaticContact CE1-NE2 3.83Å; F128-H148 AromaticContact CZ-CD2 3.22Å; F128-H148 WeakPolarHBondContact CZ-CD2 3.48Å; F128-H148 AromaticContact CZ-CG 3.9Å; F128-H148 AromaticContact CZ-NE2 3.56Å; G144-H148 PolarHBondContact O-N 3.06Å; F145-H148 WeakPolarHBondContact O-CB 3.37Å; F145-H148 PolarHBondContact O-N 3.4Å; I146-H148 VanDerWaalsContact C-N 3.29Å; I146-H148 PolarHBondContact O-N 2.86Å; H148-F150 VanDerWaalsContact C-N 3.33Å; H148-F150 PolarHBondContact O-N 2.56Å; H148-S151 WeakPolarHBondContact CA-OG 3.33Å; H148-S151 PolarHBondContact O-N 2.88Å; H148-S151 PolarHBondContact O-OG 2.95Å; H148-M152 PolarHBondContact O-N 2.99Å
149L87.8Confident80.5Confident1 Ų160.6 Ų60.61%0.00534%0.337CS..Hα-helixtrans-57.7-42.4177.6-176.760.7000112.6F48 F145 I146 M152 K160 L163 F164F48-L149 HydrophobicContact CD1-CD2 4.07Å; F48-L149 HydrophobicContact CE1-CD2 3.97Å; F145-L149 HydrophobicContact CE1-CD2 4.45Å; F145-L149 WeakPolarHBondContact O-CB 3.29Å; F145-L149 PolarHBondContact O-N 3.44Å; I146-L149 HydrophobicContact CD1-CD2 4.18Å; I146-L149 WeakPolarHBondContact O-CB 3.4Å; I146-L149 PolarHBondContact O-N 2.96Å; I146-L149 VanDerWaalsContact O-N 3.15Å; L149-M152 HydrophobicContact CB-CE 4.41Å; L149-M152 HydrophobicContact CD1-CE 3.34Å; L149-M152 HydrophobicContact CG-CE 4.37Å; L149-K160 HydrophobicContact CD1-CG 4.18Å; L149-K160 WeakPolarHBondContact O-CE 3.42Å; L149-L163 HydrophobicContact CD1-CB 3.68Å; L149-L163 HydrophobicContact CD1-CD1 4.14Å; L149-F164 HydrophobicContact CD1-CD1 4.17Å; L149-F164 HydrophobicContact CD1-CE1 4.03Å; L149-F164 HydrophobicContact CD1-CZ 4.37Å; L149-F164 HydrophobicContact CD2-CD1 3.57Å; L149-F164 HydrophobicContact CD2-CE1 3.4Å; L149-F164 HydrophobicContact CD2-CZ 4.39Å; L149-F164 HydrophobicContact CG-CD1 4.02Å; L149-F164 HydrophobicContact CG-CE1 3.54Å; L149-F164 HydrophobicContact CG-CZ 4.06Å
150F87.9Confident82.8Confident33 Ų3357 Ų5715%0.14531%0.311CS..Hα-helixtrans-73.1-38.6176.8-65.1-31.7000113.3R26 F48 E50 I146 Q147 H148 M152 K160 F164R26-F150 HydrophobicContact CB-CD1 4.2Å; R26-F150 HydrophobicContact CB-CE1 3.77Å; R26-F150 HydrophobicContact CB-CZ 4.08Å; R26-F150 HydrophobicContact CG-CE1 4.36Å; R26-F150 HydrophobicContact CG-CZ 4.32Å; F48-F150 HydrophobicContact CB-CE1 3.83Å; F48-F150 HydrophobicContact CB-CZ 3.84Å; E50-F150 HydrophobicContact CB-CD2 4.16Å; E50-F150 HydrophobicContact CB-CE2 3.76Å; E50-F150 HydrophobicContact CG-CD2 4.26Å; E50-F150 HydrophobicContact CG-CE2 4.3Å; I146-F150 HydrophobicContact CG2-CD2 3.86Å; I146-F150 HydrophobicContact CG2-CE1 4.49Å; I146-F150 HydrophobicContact CG2-CE2 3.37Å; I146-F150 HydrophobicContact CG2-CZ 3.74Å; I146-F150 PolarHBondContact O-N 3.16Å; Q147-F150 PolarHBondContact O-N 2.86Å; H148-F150 VanDerWaalsContact C-N 3.33Å; H148-F150 PolarHBondContact O-N 2.56Å; F150-M152 VanDerWaalsContact C-N 3.31Å; F150-M152 PolarHBondContact O-N 2.95Å; F150-K160 PolarHBondContact O-NZ 3.12Å; F150-F164 HydrophobicContact CD1-CZ 4.39Å; F150-F164 HydrophobicContact CE1-CE1 4.17Å; F150-F164 HydrophobicContact CE1-CZ 4.32Å
151S87.3Confident84.3Confident82 Ų8253.3 Ų53.357%0.57329%0.291SS*.Hα-helixtrans-78.8-7-179.459.40000115.1Q147 H148Q147-S151 WeakPolarHBondContact O-CB 3.46Å; Q147-S151 PolarHBondContact O-N 3.44Å; Q147-S151 PolarHBondContact O-OG 3.5Å; H148-S151 WeakPolarHBondContact CA-OG 3.33Å; H148-S151 PolarHBondContact O-N 2.88Å; H148-S151 PolarHBondContact O-OG 2.95Å
152M88.7Confident85.7Confident16 Ų1655.5 Ų55.58%0.07929%0.29CS..SBendtrans-57.1130.7172.9-88.7-166.6-75.300111.4H148 L149 F150 K160 L163H148-M152 PolarHBondContact O-N 2.99Å; L149-M152 HydrophobicContact CB-CE 4.41Å; L149-M152 HydrophobicContact CD1-CE 3.34Å; L149-M152 HydrophobicContact CG-CE 4.37Å; F150-M152 VanDerWaalsContact C-N 3.31Å; F150-M152 PolarHBondContact O-N 2.95Å; M152-K160 HydrophobicContact CB-CD 4.37Å; M152-K160 HydrophobicContact CE-CB 3.9Å; M152-K160 HydrophobicContact CE-CG 3.96Å; M152-L163 HydrophobicContact CE-CD1 3.55Å; M152-L163 HydrophobicContact SD-CD1 4.2Å
153P88.5Confident86.8Confident65 Ų6554.8 Ų54.842%0.42229%0.287SS..  trans-59.9147.5178.7-24.133.2000112.9S155 H156 D397P153-S155 PolarHBondContact O-N 2.87Å; P153-S155 VanDerWaalsContact O-N 3.13Å; P153-H156 PolarHBondContact O-N 3.06Å; P153-D397 WeakPolarHBondContact CA-OD2 3.49Å
154S86Confident87.9Confident22 Ų2253.6 Ų53.615%0.15428%0.276CS..G310 helixtrans-57.5-26.7177.164.40000114H156 W157 D397 Y398S154-H156 PolarHBondContact O-N 2.99Å; S154-H156 VanDerWaalsContact O-N 3.14Å; S154-W157 VanDerWaalsContact O-CB 3.28Å; S154-W157 WeakPolarHBondContact O-CB 3.36Å; S154-W157 VanDerWaalsContact O-CD1 3.3Å; S154-W157 PolarHBondContact O-N 2.8Å; S154-D397 WeakPolarHBondContact CB-OD1 3.39Å; S154-D397 PolarHBondContact N-OD2 3.27Å; S154-D397 PolarHBondContact OG-OD1 3Å; S154-Y398 VanDerWaalsContact CB-CA 3.44Å
155S86.4Confident88.7Confident92 Ų9253.5 Ų53.564%0.64327%0.271SS*.G310 helixtrans-59.9-22.2173.258.30000113.7P153P153-S155 PolarHBondContact O-N 2.87Å; P153-S155 VanDerWaalsContact O-N 3.13Å
156H89.3Confident89.1Confident108 Ų10856.5 Ų56.550%0.529%0.286SS..G310 helixtrans-104.623.9176.9-62.381.3000112.5P153 S154 K158 E159 K160P153-H156 PolarHBondContact O-N 3.06Å; S154-H156 PolarHBondContact O-N 2.99Å; S154-H156 VanDerWaalsContact O-N 3.14Å; H156-K158 PolarHBondContact O-N 2.91Å; H156-K158 VanDerWaalsContact O-N 3.08Å; H156-E159 PolarHBondContact O-N 2.98Å; H156-K160 PolarHBondContact O-N 2.64Å
157W89.5Confident89.4Confident53 Ų5356.3 Ų56.320%0.20129%0.286CS..Hα-helixtrans-53.1-34.4-176.770.3-97.1000113.7S154 E159 K160 H161 Y291 T293 P399S154-W157 VanDerWaalsContact O-CB 3.28Å; S154-W157 WeakPolarHBondContact O-CB 3.36Å; S154-W157 VanDerWaalsContact O-CD1 3.3Å; S154-W157 PolarHBondContact O-N 2.8Å; W157-E159 PolarHBondContact O-N 3.22Å; W157-K160 WeakPolarHBondContact O-CB 3.04Å; W157-K160 PolarHBondContact O-N 3.13Å; W157-H161 AromaticContact CE3-CE1 3.95Å; W157-H161 AromaticContact CE3-ND1 3.69Å; W157-H161 AromaticContact CZ3-ND1 3.85Å; W157-H161 PolarHBondContact O-CD2 2.91Å; W157-H161 PolarHBondContact O-N 3.43Å; W157-Y291 HydrophobicContact CE3-CD2 4.5Å; W157-Y291 HydrophobicContact CE3-CE2 4.16Å; W157-Y291 HydrophobicContact CH2-CE1 4.02Å; W157-Y291 AromaticContact CH2-CE2 3.6Å; W157-Y291 HydrophobicContact CH2-CE2 3.6Å; W157-Y291 AromaticContact CH2-CZ 3.29Å; W157-Y291 WeakPolarHBondContact CH2-OH 3.39Å; W157-Y291 HydrophobicContact CZ2-CE2 4.32Å; W157-Y291 AromaticContact CZ3-CD2 3.99Å; W157-Y291 HydrophobicContact CZ3-CD2 3.99Å; W157-Y291 HydrophobicContact CZ3-CE1 4.08Å; W157-Y291 AromaticContact CZ3-CE2 3.48Å; W157-Y291 HydrophobicContact CZ3-CE2 3.48Å; W157-Y291 VanDerWaalsContact CZ3-CE2 3.48Å; W157-Y291 HydrophobicContact CZ3-CG 4.48Å; W157-Y291 AromaticContact CZ3-CZ 3.54Å; W157-T293 HydrophobicContact CB-CG2 4.2Å; W157-T293 HydrophobicContact CD2-CG2 3.77Å; W157-T293 HydrophobicContact CE3-CG2 3.74Å; W157-T293 HydrophobicContact CG-CG2 3.99Å; W157-T293 HydrophobicContact CZ3-CG2 4.41Å; W157-P399 HydrophobicContact CB-CG 4.39Å; W157-P399 HydrophobicContact CG-CG 4.18Å
158K91.4Very high89.8Confident149 Ų14950.5 Ų50.565%0.64826%0.26SS*.Hα-helixtrans-61.1-45177.6-69.6-176179.9-179.80111.9H156 R162H156-K158 PolarHBondContact O-N 2.91Å; H156-K158 VanDerWaalsContact O-N 3.08Å; K158-R162 WeakPolarHBondContact O-CB 3.48Å; K158-R162 PolarHBondContact O-N 3.28Å
159E90.7Very high90Very high71 Ų7156 Ų5633%0.33228%0.278SS..Hα-helixtrans-68.3-41.1177.2-179.459-169.200110.4H156 W157 H161 R162 L163H156-E159 PolarHBondContact O-N 2.98Å; W157-E159 PolarHBondContact O-N 3.22Å; E159-H161 PolarHBondContact O-N 2.92Å; E159-R162 WeakPolarHBondContact O-CB 3.48Å; E159-R162 PolarHBondContact O-N 3.06Å; E159-R162 IonicContact OE1-CZ 2.83Å; E159-R162 IonicContact OE1-NE 3.01Å; E159-R162 PolarHBondContact OE1-NE 3.41Å; E159-R162 IonicContact OE1-NH2 3.5Å; E159-R162 PolarHBondContact OE1-NH2 3.12Å; E159-R162 IonicContact OE2-CZ 3.66Å; E159-R162 IonicContact OE2-NE 3.88Å; E159-R162 PolarHBondContact OE2-NE 2.93Å; E159-R162 IonicContact OE2-NH2 3.7Å; E159-L163 HydrophobicContact CG-CD1 4.3Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 3.16Å
160K91.3Very high90.1Very high42 Ų4256.4 Ų56.418%0.18328%0.281CS..Hα-helixtrans-57.3-47.2174.2-171.5171.9-177.9165.30112.6L149 F150 M152 H156 W157 L163 F164L149-K160 HydrophobicContact CD1-CG 4.18Å; L149-K160 WeakPolarHBondContact O-CE 3.42Å; F150-K160 PolarHBondContact O-NZ 3.12Å; M152-K160 HydrophobicContact CB-CD 4.37Å; M152-K160 HydrophobicContact CE-CB 3.9Å; M152-K160 HydrophobicContact CE-CG 3.96Å; H156-K160 PolarHBondContact O-N 2.64Å; W157-K160 WeakPolarHBondContact O-CB 3.04Å; W157-K160 PolarHBondContact O-N 3.13Å; K160-L163 PolarHBondContact O-N 3.39Å; K160-F164 HydrophobicContact CD-CE2 4.18Å; K160-F164 HydrophobicContact CG-CD2 4.08Å; K160-F164 HydrophobicContact CG-CE2 3.53Å; K160-F164 HydrophobicContact CG-CZ 4.06Å; K160-F164 VanDerWaalsContact O-CD2 3.24Å; K160-F164 WeakPolarHBondContact O-CD2 3.41Å; K160-F164 WeakPolarHBondContact O-CG 3.45Å; K160-F164 PolarHBondContact O-N 2.94Å
161H91.5Very high90Very high15 Ų1558.4 Ų58.47%0.06930%0.297CS..Hα-helixtrans-64.6-40.1175.8-74.9-164.9000112.4W157 E159 L163 F164 S165 Q256 Y291W157-H161 AromaticContact CE3-CE1 3.95Å; W157-H161 AromaticContact CE3-ND1 3.69Å; W157-H161 AromaticContact CZ3-ND1 3.85Å; W157-H161 PolarHBondContact O-CD2 2.91Å; W157-H161 PolarHBondContact O-N 3.43Å; E159-H161 PolarHBondContact O-N 2.92Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.86Å; H161-F164 PolarHBondContact O-N 2.88Å; H161-S165 WeakPolarHBondContact O-CB 3.41Å; H161-S165 PolarHBondContact O-N 3.25Å; H161-S165 PolarHBondContact O-OG 2.94Å; H161-Q256 PolarHBondContact O-NE2 3.01Å; H161-Q256 PolarHBondContact O-OE1 3.49Å; H161-Y291 AromaticContact CE1-CD2 3.65Å; H161-Y291 AromaticContact CE1-CG 3.93Å; H161-Y291 AromaticContact ND1-CD2 3.89Å; H161-Y291 AromaticContact ND1-CG 3.85Å
162R92.2Very high89.8Confident106 Ų10655.1 Ų55.140%0.428%0.276SS..Hα-helixtrans-58.7-44.3174.2-169.8-17375.184.72111.2K158 E159 S165 L166K158-R162 WeakPolarHBondContact O-CB 3.48Å; K158-R162 PolarHBondContact O-N 3.28Å; E159-R162 WeakPolarHBondContact O-CB 3.48Å; E159-R162 PolarHBondContact O-N 3.06Å; E159-R162 IonicContact OE1-CZ 2.83Å; E159-R162 IonicContact OE1-NE 3.01Å; E159-R162 PolarHBondContact OE1-NE 3.41Å; E159-R162 IonicContact OE1-NH2 3.5Å; E159-R162 PolarHBondContact OE1-NH2 3.12Å; E159-R162 IonicContact OE2-CZ 3.66Å; E159-R162 IonicContact OE2-NE 3.88Å; E159-R162 PolarHBondContact OE2-NE 2.93Å; E159-R162 IonicContact OE2-NH2 3.7Å; R162-S165 PolarHBondContact O-N 2.87Å; R162-L166 VanDerWaalsContact NH1-CD1 3.31Å; R162-L166 WeakPolarHBondContact O-CG 3.32Å; R162-L166 PolarHBondContact O-N 3.44Å
163L91.9Very high89.4Confident5 Ų557.9 Ų57.93%0.02629%0.291CS..Hα-helixtrans-66.4-44177.6-68.8175.7000112.1L126 L149 M152 E159 K160 H161 S165 L166 C167L126-L163 HydrophobicContact CD1-CD2 3.21Å; L126-L163 HydrophobicContact CD2-CD2 4.24Å; L126-L163 HydrophobicContact CG-CD2 4.36Å; L149-L163 HydrophobicContact CD1-CB 3.68Å; L149-L163 HydrophobicContact CD1-CD1 4.14Å; M152-L163 HydrophobicContact CE-CD1 3.55Å; M152-L163 HydrophobicContact SD-CD1 4.2Å; E159-L163 HydrophobicContact CG-CD1 4.3Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 3.16Å; K160-L163 PolarHBondContact O-N 3.39Å; H161-L163 VanDerWaalsContact C-N 3.32Å; H161-L163 PolarHBondContact O-N 2.86Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 3.41Å; L163-L166 HydrophobicContact CD2-CD1 4.45Å; L163-L166 PolarHBondContact O-N 2.86Å; L163-C167 PolarHBondContact O-N 3.33Å; L163-C167 PolarHBondContact O-SG 3.26Å
164F93.9Very high88.2Confident2 Ų263.9 Ų63.91%0.00931%0.313CS..Hα-helixtrans-56.9-43172-71.2-45.9000112.2H27 V29 F48 L149 F150 K160 H161 C167 S168H27-F164 HydrophobicContact CB-CD1 4.44Å; H27-F164 HydrophobicContact CB-CD2 4.34Å; H27-F164 HydrophobicContact CB-CE1 3.96Å; H27-F164 HydrophobicContact CB-CE2 3.83Å; H27-F164 HydrophobicContact CB-CZ 3.64Å; H27-F164 AromaticContact CD2-CD1 3.79Å; H27-F164 AromaticContact CD2-CD2 3.28Å; H27-F164 WeakPolarHBondContact CD2-CD2 3.28Å; H27-F164 AromaticContact CD2-CE2 3.68Å; H27-F164 AromaticContact CD2-CG 3.35Å; H27-F164 WeakPolarHBondContact CD2-CG 3.26Å; H27-F164 AromaticContact CE1-CD2 3.6Å; H27-F164 AromaticContact CE1-CE2 3.93Å; H27-F164 AromaticContact CG-CD2 3.57Å; H27-F164 AromaticContact CG-CE2 3.45Å; H27-F164 VanDerWaalsContact CG-CE2 3.45Å; H27-F164 AromaticContact CG-CG 3.99Å; H27-F164 AromaticContact CG-CZ 3.79Å; H27-F164 AromaticContact ND1-CD2 3.76Å; H27-F164 AromaticContact ND1-CE2 3.62Å; H27-F164 AromaticContact NE2-CD2 3.3Å; H27-F164 VanDerWaalsContact NE2-CD2 3.3Å; H27-F164 WeakPolarHBondContact NE2-CD2 3.45Å; H27-F164 AromaticContact NE2-CE2 3.97Å; H27-F164 AromaticContact NE2-CG 3.62Å; V29-F164 HydrophobicContact CG2-CB 4.2Å; F48-F164 HydrophobicContact CB-CE1 4.23Å; F48-F164 AromaticContact CD1-CD1 3.49Å; F48-F164 HydrophobicContact CD1-CD1 3.49Å; F48-F164 VanDerWaalsContact CD1-CD1 3.49Å; F48-F164 AromaticContact CD1-CE1 3.53Å; F48-F164 HydrophobicContact CD1-CE1 3.53Å; F48-F164 AromaticContact CD2-CD1 3.92Å; F48-F164 HydrophobicContact CD2-CD1 3.92Å; F48-F164 HydrophobicContact CD2-CE1 4.23Å; F48-F164 AromaticContact CE1-CD1 3.36Å; F48-F164 HydrophobicContact CE1-CD1 3.36Å; F48-F164 AromaticContact CE1-CE1 3.9Å; F48-F164 HydrophobicContact CE1-CE1 3.9Å; F48-F164 HydrophobicContact CE1-CG 4.46Å; F48-F164 HydrophobicContact CE2-CB 4.28Å; F48-F164 AromaticContact CE2-CD1 3.83Å; F48-F164 HydrophobicContact CE2-CD1 3.83Å; F48-F164 HydrophobicContact CE2-CG 4.41Å; F48-F164 AromaticContact CG-CD1 3.77Å; F48-F164 HydrophobicContact CG-CD1 3.77Å; F48-F164 AromaticContact CG-CE1 3.72Å; F48-F164 HydrophobicContact CG-CE1 3.72Å; F48-F164 HydrophobicContact CZ-CB 4.1Å; F48-F164 AromaticContact CZ-CD1 3.55Å; F48-F164 HydrophobicContact CZ-CD1 3.55Å; F48-F164 HydrophobicContact CZ-CE1 4.42Å; F48-F164 HydrophobicContact CZ-CG 4.28Å; L149-F164 HydrophobicContact CD1-CD1 4.17Å; L149-F164 HydrophobicContact CD1-CE1 4.03Å; L149-F164 HydrophobicContact CD1-CZ 4.37Å; L149-F164 HydrophobicContact CD2-CD1 3.57Å; L149-F164 HydrophobicContact CD2-CE1 3.4Å; L149-F164 HydrophobicContact CD2-CZ 4.39Å; L149-F164 HydrophobicContact CG-CD1 4.02Å; L149-F164 HydrophobicContact CG-CE1 3.54Å; L149-F164 HydrophobicContact CG-CZ 4.06Å; F150-F164 HydrophobicContact CD1-CZ 4.39Å; F150-F164 HydrophobicContact CE1-CE1 4.17Å; F150-F164 HydrophobicContact CE1-CZ 4.32Å; K160-F164 HydrophobicContact CD-CE2 4.18Å; K160-F164 HydrophobicContact CG-CD2 4.08Å; K160-F164 HydrophobicContact CG-CE2 3.53Å; K160-F164 HydrophobicContact CG-CZ 4.06Å; K160-F164 VanDerWaalsContact O-CD2 3.24Å; K160-F164 WeakPolarHBondContact O-CD2 3.41Å; K160-F164 WeakPolarHBondContact O-CG 3.45Å; K160-F164 PolarHBondContact O-N 2.94Å; H161-F164 PolarHBondContact O-N 2.88Å; F164-C167 PolarHBondContact O-N 3.47Å; F164-S168 WeakPolarHBondContact O-CB 3.41Å; F164-S168 PolarHBondContact O-N 2.88Å; F164-S168 PolarHBondContact O-OG 3.28Å
165S92.1Very high86.7Confident33 Ų3371.6 Ų71.623%0.23134%0.344CS..Hα-helixtrans-67.4-32.8177.1-79.90000113.5H161 R162 L163 S168 R169 Q256H161-S165 WeakPolarHBondContact O-CB 3.41Å; H161-S165 PolarHBondContact O-N 3.25Å; H161-S165 PolarHBondContact O-OG 2.94Å; R162-S165 PolarHBondContact O-N 2.87Å; L163-S165 VanDerWaalsContact C-N 3.29Å; L163-S165 PolarHBondContact O-N 3.41Å; S165-S168 WeakPolarHBondContact CA-OG 3.35Å; S165-S168 PolarHBondContact O-OG 3.02Å; S165-R169 WeakPolarHBondContact O-CG 3.39Å; S165-R169 PolarHBondContact O-N 3.01Å; S165-Q256 PolarHBondContact OG-NE2 3.2Å; S165-Q256 PolarHBondContact OG-OE1 3.05Å; S165-Q256 VanDerWaalsContact OG-OE1 3.05Å
166L91.6Very high84.9Confident66 Ų6671 Ų7135%0.34635%0.352SS..Hα-helixtrans-70.1-48.3174.5-76.7174.1000110.9V122 R162 L163 S168 R169 S170V122-L166 HydrophobicContact CG1-CB 4.2Å; V122-L166 HydrophobicContact CG2-CB 4.47Å; R162-L166 VanDerWaalsContact NH1-CD1 3.31Å; R162-L166 WeakPolarHBondContact O-CG 3.32Å; R162-L166 PolarHBondContact O-N 3.44Å; L163-L166 HydrophobicContact CD2-CD1 4.45Å; L163-L166 PolarHBondContact O-N 2.86Å; L166-S168 VanDerWaalsContact C-N 3.29Å; L166-S168 PolarHBondContact O-N 3.42Å; L166-R169 PolarHBondContact O-N 3.44Å; L166-R169 VanDerWaalsContact O-N 3.15Å; L166-S170 PolarHBondContact O-N 3.12Å
167C91.3Very high83.5Confident0 Ų070.7 Ų70.70%035%0.354CS..Hα-helixtrans-58.2-42.9174.9-66.60000111.2F48 V117 T119 L163 F164 R169 S170 I204F48-C167 HydrophobicContact CE1-CB 3.95Å; F48-C167 HydrophobicContact CZ-CB 3.82Å; V117-C167 WeakPolarHBondContact CG1-O 3.33Å; T119-C167 HydrophobicContact CG2-CB 4.41Å; L163-C167 PolarHBondContact O-N 3.33Å; L163-C167 PolarHBondContact O-SG 3.26Å; F164-C167 PolarHBondContact O-N 3.47Å; C167-R169 PolarHBondContact O-N 2.87Å; C167-R169 VanDerWaalsContact O-N 3.1Å; C167-S170 WeakPolarHBondContact O-CB 3.45Å; C167-S170 PolarHBondContact O-N 3.07Å; C167-I204 HydrophobicContact CB-CD1 4.01Å
168S91Very high82.7Confident19 Ų1971.8 Ų71.813%0.13337%0.37CS..Hα-helixtrans-65.4-15.4-17975.30000114.1F164 S165 L166 R206F164-S168 WeakPolarHBondContact O-CB 3.41Å; F164-S168 PolarHBondContact O-N 2.88Å; F164-S168 PolarHBondContact O-OG 3.28Å; S165-S168 WeakPolarHBondContact CA-OG 3.35Å; S165-S168 PolarHBondContact O-OG 3.02Å; L166-S168 VanDerWaalsContact C-N 3.29Å; L166-S168 PolarHBondContact O-N 3.42Å; S168-R206 PolarHBondContact O-NH2 3.41Å
169R89.9Confident82.7Confident196 Ų19665.1 Ų65.174%0.7434%0.341SS*.Hα-helixtrans-98.1-8.1175.6-66.4174-171.2-167.62.1113.7S165 L166 C167S165-R169 WeakPolarHBondContact O-CG 3.39Å; S165-R169 PolarHBondContact O-N 3.01Å; L166-R169 PolarHBondContact O-N 3.44Å; L166-R169 VanDerWaalsContact O-N 3.15Å; C167-R169 PolarHBondContact O-N 2.87Å; C167-R169 VanDerWaalsContact O-N 3.1Å
170S88.9Confident82.7Confident9 Ų966.3 Ų66.36%0.06335%0.346CS..SBendtrans-63.9152.2178.6-71.30000112.7D118 V122 L166 C167 R206D118-S170 WeakPolarHBondContact O-CB 3.37Å; D118-S170 PolarHBondContact O-OG 3.29Å; D118-S170 VanDerWaalsContact O-OG 3.08Å; V122-S170 WeakPolarHBondContact CG2-OG 3.22Å; L166-S170 PolarHBondContact O-N 3.12Å; C167-S170 WeakPolarHBondContact O-CB 3.45Å; C167-S170 PolarHBondContact O-N 3.07Å; S170-R206 PolarHBondContact O-NH1 3.21Å; S170-R206 VanDerWaalsContact O-NH1 3.1Å; S170-R206 PolarHBondContact O-NH2 3.03Å
171P86.1Confident82.9Confident75 Ų7567.9 Ų67.949%0.48735%0.353SS..PPolyproline II helixtrans-64.6157174.528.9-34.7000111.7D118D118-P171 WeakPolarHBondContact CB-O 3.4Å; D118-P171 PolarHBondContact N-O 2.86Å
172G82.6Confident83Confident13 Ų1372.3 Ų72.313%0.13437%0.374CS..BIsolated β-bridgetrans-74.6151.6167.900000111.7E116 Q174E116-G172 CarbonylContact O-C 3.52Å; E116-G172 WeakPolarHBondContact O-CA 3.33Å; G172-Q174 PolarHBondContact O-N 3.39Å
173I81.9Confident83Confident75 Ų7569.5 Ų69.539%0.38537%0.369SS..PPolyproline II helixtrans-66.3120.2177.9-60.3-178.2000110E116 D118E116-I173 HydrophobicContact CB-CD1 4.31Å; E116-I173 HydrophobicContact CG-CD1 3.63Å; E116-I173 HydrophobicContact CG-CG1 4.28Å; E116-I173 PolarHBondContact O-N 3.06Å; D118-I173 HydrophobicContact CB-CG1 4Å
174Q61.8Low82.9Confident190 Ų19071.2 Ų71.289%0.88838%0.378SS*.  trans-89.9-9.2-175.7-64.6-170-400114.9G172 G176G172-Q174 PolarHBondContact O-N 3.39Å; Q174-G176 PolarHBondContact O-N 3.41Å
175K54.9Low82.5Confident184 Ų18477 Ų7780%0.840%0.4SS*.SBendtrans-89.3103.3-174.5-77.6-179.5179.4172.50112.2N177K175-N177 PolarHBondContact O-N 3.28Å
176G49.4Very low82.4Confident79 Ų7976.5 Ų76.581%0.81439%0.393SS*.SBendtrans62.4-21.1149.200000120.8Q174Q174-G176 PolarHBondContact O-N 3.41Å
177N59.6Low82.5Confident102 Ų10273.4 Ų73.455%0.54538%0.377SS..  trans-114.371.6-175.6-75.2-5.6000109.7K175K175-N177 PolarHBondContact O-N 3.28Å
178S73.3Confident82.7Confident76 Ų7673.4 Ų73.453%0.53138%0.377SS..PPolyproline II helixtrans-66.8135.4174.6530000110.7H180S178-H180 PolarHBondContact O-CD2 3.36Å; S178-H180 PolarHBondContact O-N 2.94Å
179L89.8Confident83Confident10 Ų1074 Ų745%0.05238%0.377CS..PPolyproline II helixtrans-66.1120.7167.1-69.3177.5000109V114 E116 V190 K192 P202 I205V114-L179 HydrophobicContact CB-CB 4.49Å; V114-L179 HydrophobicContact CG1-CB 4.2Å; V114-L179 HydrophobicContact CG1-CD1 3.87Å; E116-L179 HydrophobicContact CB-CD1 4.18Å; L179-V190 HydrophobicContact CB-CG1 4.07Å; L179-V190 HydrophobicContact CD1-CG1 4.24Å; L179-V190 HydrophobicContact CD2-CG1 4.29Å; L179-V190 HydrophobicContact CG-CG1 4.44Å; L179-K192 HydrophobicContact CD2-CB 3.68Å; L179-K192 HydrophobicContact CD2-CD 4.17Å; L179-K192 HydrophobicContact CD2-CG 4.12Å; L179-P202 HydrophobicContact CD2-CG 4.24Å; L179-I205 HydrophobicContact CD1-CB 4.25Å; L179-I205 HydrophobicContact CD1-CG2 3.63Å
180H91.8Very high83.2Confident95 Ų9564.7 Ų64.744%0.4434%0.342SS..EExtended strand (participates in β ladder)trans-85135.9172.2-66.8-81.1000108.4S178 V190 K191S178-H180 PolarHBondContact O-CD2 3.36Å; S178-H180 PolarHBondContact O-N 2.94Å; H180-V190 CarbonylContact O-C 3.57Å; H180-V190 WeakPolarHBondContact O-CA 3.22Å; H180-K191 PolarHBondContact N-O 3.42Å; H180-K191 PolarHBondContact O-N 3.38Å
181F94.3Very high83.5Confident75 Ų7568.3 Ų68.333%0.32936%0.357SS..EExtended strand (participates in β ladder)trans-134.2152.3177.670-87000111.7V111 V114 L188 Q189 V190V111-F181 HydrophobicContact CB-CD2 4.37Å; V111-F181 HydrophobicContact CB-CE2 3.98Å; V111-F181 HydrophobicContact CG1-CD2 3.89Å; V111-F181 HydrophobicContact CG1-CE2 3.64Å; V111-F181 HydrophobicContact CG1-CZ 4.16Å; V111-F181 WeakPolarHBondContact O-CE2 3.35Å; V114-F181 HydrophobicContact CB-CB 4.43Å; V114-F181 HydrophobicContact CB-CD1 3.89Å; V114-F181 HydrophobicContact CB-CG 4.32Å; V114-F181 HydrophobicContact CG2-CB 3.84Å; V114-F181 HydrophobicContact CG2-CD1 3.59Å; V114-F181 HydrophobicContact CG2-CD2 4.24Å; V114-F181 HydrophobicContact CG2-CE1 4.19Å; V114-F181 HydrophobicContact CG2-CG 3.62Å; F181-L188 HydrophobicContact CB-CD1 4.08Å; F181-L188 HydrophobicContact CD2-CD1 4Å; F181-L188 HydrophobicContact CG-CD1 4.44Å; F181-Q189 CarbonylContact C-O 3.59Å; F181-Q189 WeakPolarHBondContact CA-O 3.45Å; F181-V190 HydrophobicContact CB-CG2 4.28Å
182H93.9Very high83.7Confident109 Ų10966.2 Ų66.251%0.50534%0.34SS..EExtended strand (participates in β ladder)trans-139.1132.4174.3174.5-94.9000108.4Q189H182-Q189 PolarHBondContact N-O 2.94Å; H182-Q189 PolarHBondContact O-N 3.36Å
183T92.3Very high83.9Confident47 Ų4770.9 Ų70.929%0.28836%0.36SS..EExtended strand (participates in β ladder)trans-108.5118.7174.7-53.40000108S187 L188T183-S187 WeakPolarHBondContact CA-O 3.28Å; T183-L188 WeakPolarHBondContact OG1-CD1 3.38Å
184D89.8Confident84Confident40 Ų4070.4 Ų70.421%0.21437%0.373CS..  trans-97.6-164.7168.963.550.7000110.4W186 S187 Q189D184-W186 VanDerWaalsContact C-N 3.29Å; D184-W186 PolarHBondContact O-N 2.84Å; D184-W186 PolarHBondContact OD1-N 3.48Å; D184-S187 VanDerWaalsContact CG-OG 3.28Å; D184-S187 PolarHBondContact N-O 3.07Å; D184-S187 PolarHBondContact OD1-N 3.01Å; D184-S187 PolarHBondContact OD1-OG 3.16Å; D184-S187 PolarHBondContact OD2-OG 2.98Å; D184-Q189 PolarHBondContact OD2-NE2 3.43Å
185R86.3Confident85.3Confident125 Ų12562 Ų6247%0.47234%0.335SS..SBendtrans-65.4-31.4-178.1-174.9175.5177.71741.9113.2C107C107-R185 VanDerWaalsContact CB-O 3.31Å; C107-R185 WeakPolarHBondContact CB-O 3.37Å
186W89.4Confident86.9Confident22 Ų2256.8 Ų56.88%0.08332%0.318CS..SBendtrans-124-12-167.4-57.7115.5000113.8L7 L14 P15 R17 C106 C107 D184L7-W186 HydrophobicContact CD1-CZ2 3.73Å; L14-W186 HydrophobicContact CD1-CE3 4.12Å; L14-W186 HydrophobicContact CD1-CH2 3.51Å; L14-W186 HydrophobicContact CD1-CZ2 4.17Å; L14-W186 HydrophobicContact CD1-CZ3 3.49Å; L14-W186 VanDerWaalsContact CD1-CZ3 3.49Å; P15-W186 HydrophobicContact CG-CD2 4.37Å; P15-W186 HydrophobicContact CG-CG 4.1Å; R17-W186 HydrophobicContact CG-CB 4.14Å; C106-W186 PolarHBondContact N-O 3.12Å; C106-W186 VanDerWaalsContact N-O 3.08Å; C106-W186 CarbonylContact O-C 3.47Å; C106-W186 WeakPolarHBondContact O-CA 3.45Å; C106-W186 VanDerWaalsContact O-O 3.12Å; C107-W186 HydrophobicContact CB-CE3 4.48Å; D184-W186 VanDerWaalsContact C-N 3.29Å; D184-W186 PolarHBondContact O-N 2.84Å; D184-W186 PolarHBondContact OD1-N 3.48Å
187S93.6Very high88.8Confident1 Ų155.7 Ų55.71%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-146.7153.9-173.582.80000114.8L104 C106 T183 D184L104-S187 CarbonylContact O-C 3.59Å; L104-S187 WeakPolarHBondContact O-CA 3.49Å; L104-S187 VanDerWaalsContact O-CB 3.3Å; L104-S187 WeakPolarHBondContact O-CB 3.47Å; C106-S187 PolarHBondContact O-N 3.48Å; C106-S187 VanDerWaalsContact O-N 3.09Å; T183-S187 WeakPolarHBondContact CA-O 3.28Å; D184-S187 VanDerWaalsContact CG-OG 3.28Å; D184-S187 PolarHBondContact N-O 3.07Å; D184-S187 PolarHBondContact OD1-N 3.01Å; D184-S187 PolarHBondContact OD1-OG 3.16Å; D184-S187 PolarHBondContact OD2-OG 2.98Å
188L96.3Very high90.3Very high0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-104.3119.1162.5172.365.3000107.9L104 C106 V111 F181 T183 V190 I207 P244L104-L188 HydrophobicContact CB-CB 4.43Å; L104-L188 HydrophobicContact CD1-CD2 4.32Å; L104-L188 PolarHBondContact N-O 2.96Å; L104-L188 PolarHBondContact O-N 3.41Å; C106-L188 HydrophobicContact CB-CB 3.85Å; V111-L188 HydrophobicContact CB-CD1 4.49Å; V111-L188 HydrophobicContact CG1-CD1 4.34Å; V111-L188 HydrophobicContact CG2-CD1 4.2Å; V111-L188 HydrophobicContact CG2-CD2 4.17Å; F181-L188 HydrophobicContact CB-CD1 4.08Å; F181-L188 HydrophobicContact CD2-CD1 4Å; F181-L188 HydrophobicContact CG-CD1 4.44Å; T183-L188 WeakPolarHBondContact OG1-CD1 3.38Å; L188-V190 HydrophobicContact CD1-CG2 4.42Å; L188-V190 HydrophobicContact CD2-CG2 4.32Å; L188-V190 HydrophobicContact CG-CG2 4.01Å; L188-I207 HydrophobicContact CD2-CD1 3.82Å; L188-I207 HydrophobicContact CD2-CG1 4.45Å; L188-I207 HydrophobicContact CD2-CG2 4.12Å; L188-P244 HydrophobicContact CD2-CB 3.92Å; L188-P244 HydrophobicContact CD2-CG 4.02Å
189Q96.1Very high91Very high32 Ų3252 Ų5215%0.1527%0.269CS..EExtended strand (participates in β ladder)trans-103.7125.3178.1-59.9-178.730.800109.2T101 L102 V103 F181 H182 D184T101-Q189 HydrophobicContact CG2-CB 3.74Å; T101-Q189 HydrophobicContact CG2-CG 4.28Å; L102-Q189 CarbonylContact O-C 3.51Å; L102-Q189 WeakPolarHBondContact O-CA 3.35Å; V103-Q189 HydrophobicContact CG2-CG 4.48Å; F181-Q189 CarbonylContact C-O 3.59Å; F181-Q189 WeakPolarHBondContact CA-O 3.45Å; H182-Q189 PolarHBondContact N-O 2.94Å; H182-Q189 PolarHBondContact O-N 3.36Å; D184-Q189 PolarHBondContact OD2-NE2 3.43Å
190V95.8Very high90.9Very high0 Ų056.5 Ų56.50%029%0.293CS..EExtended strand (participates in β ladder)trans-122.8128.4-179.1-172.80000109.8T101 L102 V114 L179 H180 F181 L188 F201T101-V190 WeakPolarHBondContact CA-O 3.45Å; L102-V190 HydrophobicContact CB-CB 4.32Å; L102-V190 PolarHBondContact N-O 3.46Å; L102-V190 PolarHBondContact O-N 3.15Å; V114-V190 HydrophobicContact CG1-CG1 3.87Å; V114-V190 HydrophobicContact CG1-CG2 4.28Å; L179-V190 HydrophobicContact CB-CG1 4.07Å; L179-V190 HydrophobicContact CD1-CG1 4.24Å; L179-V190 HydrophobicContact CD2-CG1 4.29Å; L179-V190 HydrophobicContact CG-CG1 4.44Å; H180-V190 CarbonylContact O-C 3.57Å; H180-V190 WeakPolarHBondContact O-CA 3.22Å; F181-V190 HydrophobicContact CB-CG2 4.28Å; L188-V190 HydrophobicContact CD1-CG2 4.42Å; L188-V190 HydrophobicContact CD2-CG2 4.32Å; L188-V190 HydrophobicContact CG-CG2 4.01Å; V190-F201 HydrophobicContact CB-CZ 4.31Å; V190-F201 HydrophobicContact CG1-CZ 4.06Å
191K93.9Very high90.9Very high84 Ų8452.1 Ų52.137%0.36527%0.273SS..EExtended strand (participates in β ladder)trans-126.6145.1-177.2-68.2177.1170177.10110.8T101 H180T101-K191 HydrophobicContact CG2-CG 3.97Å; T101-K191 WeakPolarHBondContact OG1-CE 3.48Å; H180-K191 PolarHBondContact N-O 3.42Å; H180-K191 PolarHBondContact O-N 3.38Å
192K90.5Very high90.7Very high31 Ų3148.8 Ų48.814%0.13526%0.259CS..  trans-118.5122.5168.6-173.3167172.5177.40108.1E116 L179 G194 V195 F201 P202E116-K192 VanDerWaalsContact CD-NZ 3.32Å; E116-K192 IonicContact OE1-NZ 3.45Å; E116-K192 PolarHBondContact OE1-NZ 3.02Å; E116-K192 VanDerWaalsContact OE1-NZ 3.13Å; E116-K192 WeakPolarHBondContact OE2-CE 3.35Å; E116-K192 IonicContact OE2-NZ 3.13Å; E116-K192 PolarHBondContact OE2-NZ 2.98Å; L179-K192 HydrophobicContact CD2-CB 3.68Å; L179-K192 HydrophobicContact CD2-CD 4.17Å; L179-K192 HydrophobicContact CD2-CG 4.12Å; K192-G194 PolarHBondContact O-N 3.02Å; K192-V195 HydrophobicContact CB-CB 4.15Å; K192-V195 HydrophobicContact CB-CG2 3.94Å; K192-V195 HydrophobicContact CD-CG2 3.9Å; K192-V195 HydrophobicContact CG-CG2 3.84Å; K192-V195 WeakPolarHBondContact O-CB 3.46Å; K192-V195 PolarHBondContact O-N 3.44Å; K192-V195 VanDerWaalsContact O-N 3.16Å; K192-F201 HydrophobicContact CB-CE2 4.5Å; K192-P202 HydrophobicContact CD-CG 3.52Å
193M87.1Confident90.6Very high111 Ų11145.5 Ų45.555%0.54724%0.242SC..THydrogen-bonded Turntrans-59129.8-178-63.5-56.6-54.300110.8D99 V195D99-M193 WeakPolarHBondContact OD2-CE 3.48Å; M193-V195 VanDerWaalsContact C-N 3.32Å
194G85.1Confident90.7Very high65 Ų6543.2 Ų43.267%0.6723%0.228SC*.THydrogen-bonded Turntrans83.22.3178.700000114.9D99 K192D99-G194 PolarHBondContact OD1-N 3.07Å; K192-G194 PolarHBondContact O-N 3.02Å
195V88.5Confident90.9Very high14 Ų1441.3 Ų41.39%0.08522%0.218CC..  trans-100115172171.20000108.3D99 F100 K192 M193 T197 D200 F201D99-V195 CarbonylContact C-O 3.52Å; D99-V195 WeakPolarHBondContact CA-O 3.41Å; F100-V195 HydrophobicContact CB-CG1 4.44Å; F100-V195 PolarHBondContact N-O 3.32Å; K192-V195 HydrophobicContact CB-CB 4.15Å; K192-V195 HydrophobicContact CB-CG2 3.94Å; K192-V195 HydrophobicContact CD-CG2 3.9Å; K192-V195 HydrophobicContact CG-CG2 3.84Å; K192-V195 WeakPolarHBondContact O-CB 3.46Å; K192-V195 PolarHBondContact O-N 3.44Å; K192-V195 VanDerWaalsContact O-N 3.16Å; M193-V195 VanDerWaalsContact C-N 3.32Å; V195-T197 WeakPolarHBondContact CG1-O 3.41Å; V195-D200 HydrophobicContact CG1-CB 4Å; V195-F201 HydrophobicContact CG1-CB 4.23Å; V195-F201 HydrophobicContact CG1-CD2 4.26Å
196T88.9Confident91.4Very high74 Ų7436.1 Ų36.145%0.45420%0.198SC..  trans-107.7-8.3-177.156.50000113.8A97A97-T196 HydrophobicContact CB-CG2 4.2Å
197T89.3Confident91.8Very high56 Ų5635.1 Ų35.134%0.34419%0.194SC..SBendtrans-124.6154.3-179.6830000111.6V195 Q199 D200 F201V195-T197 WeakPolarHBondContact CG1-O 3.41Å; T197-Q199 PolarHBondContact O-N 3.26Å; T197-Q199 PolarHBondContact OG1-N 3.34Å; T197-D200 PolarHBondContact O-N 2.86Å; T197-D200 PolarHBondContact OG1-N 2.7Å; T197-D200 PolarHBondContact OG1-OD2 3.33Å; T197-F201 PolarHBondContact O-N 3.23Å
198S89.5Confident92Very high18 Ų1838.4 Ų38.413%0.12621%0.207CC..SBendtrans-65.1-26.4172.561.60000112.2H22 P51 D200 F201 R203H22-S198 WeakPolarHBondContact O-CB 3.48Å; H22-S198 PolarHBondContact O-OG 3.2Å; P51-S198 VanDerWaalsContact CG-O 3.28Å; P51-S198 WeakPolarHBondContact CG-O 3.28Å; S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 2.78Å; S198-F201 WeakPolarHBondContact O-CB 3.39Å; S198-F201 PolarHBondContact O-N 3.05Å; S198-R203 PolarHBondContact O-NH1 2.9Å
199Q88.9Confident92.1Very high84 Ų8438.7 Ų38.739%0.39321%0.208SC..THydrogen-bonded Turntrans-66.4-35.9179.3-65.3-62.2-18.400111.7C52 T197 R203C52-Q199 PolarHBondContact O-NE2 3.17Å; C52-Q199 VanDerWaalsContact O-NE2 3.13Å; T197-Q199 PolarHBondContact O-N 3.26Å; T197-Q199 PolarHBondContact OG1-N 3.34Å; Q199-R203 VanDerWaalsContact O-CZ 3.24Å; Q199-R203 PolarHBondContact O-NH1 3.09Å; Q199-R203 PolarHBondContact O-NH2 2.88Å
200D87.9Confident92.1Very high104 Ų10440 Ų4056%0.55622%0.215SC*.THydrogen-bonded Turntrans-90.6-1.2179.7-53.9-49.5000112.9V195 T197 S198V195-D200 HydrophobicContact CG1-CB 4Å; T197-D200 PolarHBondContact O-N 2.86Å; T197-D200 PolarHBondContact OG1-N 2.7Å; T197-D200 PolarHBondContact OG1-OD2 3.33Å; S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 2.78Å
201F91Very high92.1Very high3 Ų340.1 Ų40.11%0.01322%0.216CC..SBendtrans-73.8143.4178.1-163.7-94.8000111.8I23 L49 F100 L102 V190 K192 V195 T197 S198 R203 I205I23-F201 HydrophobicContact CD1-CB 4.44Å; I23-F201 HydrophobicContact CD1-CD1 4.02Å; L49-F201 HydrophobicContact CD1-CD1 4.15Å; L49-F201 HydrophobicContact CD1-CE1 3.99Å; F100-F201 HydrophobicContact CD1-CB 3.95Å; F100-F201 AromaticContact CD1-CD2 3.55Å; F100-F201 HydrophobicContact CD1-CD2 3.55Å; F100-F201 HydrophobicContact CD1-CE2 4.26Å; F100-F201 AromaticContact CD1-CG 3.88Å; F100-F201 HydrophobicContact CD1-CG 3.88Å; F100-F201 HydrophobicContact CE1-CB 4.05Å; F100-F201 AromaticContact CE1-CD2 3.98Å; F100-F201 HydrophobicContact CE1-CD2 3.98Å; F100-F201 AromaticContact CE1-CG 3.93Å; F100-F201 HydrophobicContact CE1-CG 3.93Å; L102-F201 HydrophobicContact CB-CD1 4.46Å; L102-F201 HydrophobicContact CB-CE1 3.75Å; L102-F201 HydrophobicContact CB-CE2 4.23Å; L102-F201 HydrophobicContact CB-CZ 3.59Å; L102-F201 HydrophobicContact CD2-CE1 3.82Å; L102-F201 HydrophobicContact CD2-CZ 4.21Å; L102-F201 HydrophobicContact CG-CE1 4.38Å; V190-F201 HydrophobicContact CB-CZ 4.31Å; V190-F201 HydrophobicContact CG1-CZ 4.06Å; K192-F201 HydrophobicContact CB-CE2 4.5Å; V195-F201 HydrophobicContact CG1-CB 4.23Å; V195-F201 HydrophobicContact CG1-CD2 4.26Å; T197-F201 PolarHBondContact O-N 3.23Å; S198-F201 WeakPolarHBondContact O-CB 3.39Å; S198-F201 PolarHBondContact O-N 3.05Å; F201-R203 PolarHBondContact O-N 2.97Å; F201-R203 PolarHBondContact O-NH1 3.27Å; F201-I205 HydrophobicContact CE1-CG2 4.47Å
202P90.6Very high91.9Very high5 Ų542.3 Ų42.33%0.03222%0.222CC..  trans-51.6137.2-179.9-32.339.4000113.8L49 E116 L179 K192 I205L49-P202 WeakPolarHBondContact CD1-O 3.37Å; E116-P202 HydrophobicContact CB-CB 4.49Å; E116-P202 HydrophobicContact CG-CB 3.86Å; E116-P202 HydrophobicContact CG-CG 4.18Å; E116-P202 WeakPolarHBondContact OE1-CB 3.41Å; E116-P202 WeakPolarHBondContact OE1-CG 3.48Å; L179-P202 HydrophobicContact CD2-CG 4.24Å; K192-P202 HydrophobicContact CD-CG 3.52Å; P202-I205 HydrophobicContact CB-CG2 3.98Å
203R91.4Very high91.3Very high39 Ų3945.4 Ų45.415%0.14724%0.243CC..SBendtrans-81.8-24.1-177.6-64.4-65.3-173.7-101.2-0.8113.7L49 P51 I146 S198 Q199 F201L49-R203 PolarHBondContact N-O 3.38Å; L49-R203 WeakPolarHBondContact O-CD 3.46Å; P51-R203 VanDerWaalsContact CD-CZ 3.47Å; I146-R203 HydrophobicContact CB-CB 4.4Å; I146-R203 HydrophobicContact CG1-CB 3.97Å; I146-R203 HydrophobicContact CG1-CG 4.47Å; I146-R203 HydrophobicContact CG2-CB 4.16Å; I146-R203 HydrophobicContact CG2-CG 4.5Å; S198-R203 PolarHBondContact O-NH1 2.9Å; Q199-R203 VanDerWaalsContact O-CZ 3.24Å; Q199-R203 PolarHBondContact O-NH1 3.09Å; Q199-R203 PolarHBondContact O-NH2 2.88Å; F201-R203 PolarHBondContact O-N 2.97Å; F201-R203 PolarHBondContact O-NH1 3.27Å
204I93.9Very high90.7Very high0 Ų045.8 Ų45.80%025%0.247CC..EExtended strand (participates in β ladder)trans-133.7122.3176.2-51-176.8000109.3V46 L47 F48 V117 T119 I146 C167V46-I204 HydrophobicContact CG1-CG2 3.33Å; L47-I204 WeakPolarHBondContact O-CA 3.11Å; F48-I204 HydrophobicContact CD1-CD1 3.72Å; F48-I204 HydrophobicContact CD1-CG1 3.81Å; F48-I204 HydrophobicContact CE1-CD1 3.26Å; F48-I204 HydrophobicContact CE1-CG1 3.87Å; F48-I204 HydrophobicContact CE1-CG2 4.39Å; F48-I204 HydrophobicContact CZ-CD1 4.02Å; F48-I204 HydrophobicContact CZ-CG2 4.38Å; V117-I204 HydrophobicContact CB-CB 4.02Å; V117-I204 HydrophobicContact CB-CG2 3.62Å; V117-I204 HydrophobicContact CG1-CG2 4.2Å; V117-I204 HydrophobicContact CG2-CB 4.48Å; V117-I204 HydrophobicContact CG2-CG2 3.67Å; V117-I204 PolarHBondContact N-O 3.01Å; V117-I204 VanDerWaalsContact N-O 3.08Å; T119-I204 HydrophobicContact CG2-CD1 3.36Å; T119-I204 HydrophobicContact CG2-CG1 4.42Å; I146-I204 HydrophobicContact CD1-CD1 3.59Å; I146-I204 HydrophobicContact CD1-CG1 3.87Å; C167-I204 HydrophobicContact CB-CD1 4.01Å
205I95.3Very high90.3Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-123.5145.8172.466.8172.5000110.1V46 L47 L49 L102 V114 E115 L179 F201 P202 I207V46-I205 CarbonylContact C-O 3.58Å; V46-I205 WeakPolarHBondContact CA-O 3.45Å; L47-I205 HydrophobicContact CB-CG1 4.01Å; L47-I205 HydrophobicContact CD1-CD1 4.14Å; L47-I205 HydrophobicContact CD1-CG1 4.17Å; L47-I205 HydrophobicContact CG-CG1 4.24Å; L47-I205 PolarHBondContact N-O 3.32Å; L47-I205 PolarHBondContact O-N 3.01Å; L49-I205 HydrophobicContact CD1-CD1 4.23Å; L49-I205 HydrophobicContact CD1-CG1 4.12Å; L49-I205 HydrophobicContact CD1-CG2 4.4Å; L102-I205 HydrophobicContact CD2-CD1 3.51Å; V114-I205 HydrophobicContact CG1-CD1 4.45Å; E115-I205 CarbonylContact O-C 3.6Å; E115-I205 WeakPolarHBondContact O-CA 3.07Å; L179-I205 HydrophobicContact CD1-CB 4.25Å; L179-I205 HydrophobicContact CD1-CG2 3.63Å; F201-I205 HydrophobicContact CE1-CG2 4.47Å; P202-I205 HydrophobicContact CB-CG2 3.98Å; I205-I207 HydrophobicContact CD1-CD1 4.2Å; I205-I207 HydrophobicContact CD1-CG1 4.39Å
206R96.9Very high89.8Confident16 Ų1643.3 Ų43.36%0.0622%0.224CC..EExtended strand (participates in β ladder)trans-111.6130.5171.7-177.4-175.5-62.3133.9-0.2109.2I45 V46 V114 E115 V117 S168 S170 Y208I45-R206 CarbonylContact O-C 3.59Å; I45-R206 WeakPolarHBondContact O-CA 3.33Å; V46-R206 HydrophobicContact CG2-CB 3.99Å; V46-R206 HydrophobicContact CG2-CG 3.83Å; V114-R206 CarbonylContact C-O 2.89Å; V114-R206 WeakPolarHBondContact CA-O 3.45Å; E115-R206 HydrophobicContact CG-CB 3.92Å; E115-R206 PolarHBondContact N-O 3.41Å; E115-R206 PolarHBondContact O-N 2.96Å; E115-R206 WeakPolarHBondContact OE1-CD 3.49Å; E115-R206 IonicContact OE1-CZ 3.42Å; E115-R206 IonicContact OE1-NE 3.62Å; E115-R206 IonicContact OE1-NH1 2.71Å; E115-R206 PolarHBondContact OE1-NH1 2.95Å; V117-R206 HydrophobicContact CG2-CB 3.84Å; S168-R206 PolarHBondContact O-NH2 3.41Å; S170-R206 PolarHBondContact O-NH1 3.21Å; S170-R206 VanDerWaalsContact O-NH1 3.1Å; S170-R206 PolarHBondContact O-NH2 3.03Å; R206-Y208 VanDerWaalsContact CD-CE2 3.42Å; R206-Y208 WeakPolarHBondContact CD-OH 3.29Å; R206-Y208 HydrophobicContact CG-CD2 4.28Å; R206-Y208 HydrophobicContact CG-CE2 3.8Å; R206-Y208 PolarHBondContact NH1-OH 3.3Å
207I97.6Very high89.6Confident0 Ų039.8 Ų39.80%020%0.202CC..EExtended strand (participates in β ladder)trans-117.4123.7178.8-56.4163.6000107.9S44 I45 L47 L104 V111 K113 V114 L188 I205 P244S44-I207 CarbonylContact C-O 3.6Å; S44-I207 VanDerWaalsContact CA-O 3.22Å; S44-I207 WeakPolarHBondContact CA-O 3.28Å; I45-I207 HydrophobicContact CG2-CB 3.87Å; I45-I207 HydrophobicContact CG2-CD1 4.39Å; I45-I207 PolarHBondContact N-O 2.92Å; I45-I207 PolarHBondContact O-N 3.42Å; L47-I207 HydrophobicContact CD1-CD1 3.74Å; L47-I207 HydrophobicContact CG-CD1 4.29Å; L104-I207 HydrophobicContact CD1-CD1 3.79Å; V111-I207 HydrophobicContact CG1-CG2 3.72Å; V111-I207 HydrophobicContact CG2-CG2 4.39Å; K113-I207 WeakPolarHBondContact O-CA 3.34Å; V114-I207 HydrophobicContact CG1-CG1 4.09Å; V114-I207 HydrophobicContact CG2-CG1 4.17Å; V114-I207 HydrophobicContact CG2-CG2 4.21Å; L188-I207 HydrophobicContact CD2-CD1 3.82Å; L188-I207 HydrophobicContact CD2-CG1 4.45Å; L188-I207 HydrophobicContact CD2-CG2 4.12Å; I205-I207 HydrophobicContact CD1-CD1 4.2Å; I205-I207 HydrophobicContact CD1-CG1 4.39Å; I207-P244 HydrophobicContact CD1-CB 4.23Å; I207-P244 HydrophobicContact CD1-CG 4.41Å; I207-P244 HydrophobicContact CG2-CG 4.17Å
208Y97.7Very high89.6Confident70 Ų7037.5 Ų37.528%0.27519%0.189SC..EExtended strand (participates in β ladder)trans-99.1127.2173.7-62.4-98.6000109.2G43 S112 K113 E115 R206G43-Y208 WeakPolarHBondContact O-CA 3.32Å; S112-Y208 PolarHBondContact N-O 2.92Å; S112-Y208 WeakPolarHBondContact OG-CB 3.45Å; S112-Y208 PolarHBondContact OG-O 3.15Å; S112-Y208 VanDerWaalsContact OG-O 3.07Å; K113-Y208 HydrophobicContact CB-CD2 3.82Å; K113-Y208 HydrophobicContact CB-CG 4.37Å; K113-Y208 HydrophobicContact CD-CD2 4.06Å; K113-Y208 HydrophobicContact CD-CE2 4.04Å; K113-Y208 HydrophobicContact CG-CD2 4.21Å; K113-Y208 PolarHBondContact O-N 3.26Å; E115-Y208 HydrophobicContact CG-CE2 4.13Å; E115-Y208 VanDerWaalsContact OE1-CE2 3.26Å; E115-Y208 WeakPolarHBondContact OE1-CE2 3.29Å; E115-Y208 PolarHBondContact OE1-OH 3.33Å; R206-Y208 VanDerWaalsContact CD-CE2 3.42Å; R206-Y208 WeakPolarHBondContact CD-OH 3.29Å; R206-Y208 HydrophobicContact CG-CD2 4.28Å; R206-Y208 HydrophobicContact CG-CE2 3.8Å; R206-Y208 PolarHBondContact NH1-OH 3.3Å
209Y97.2Very high89.7Confident6 Ų638.9 Ų38.92%0.02419%0.191CC..EExtended strand (participates in β ladder)trans-152168.2-172.973.3-83.3000112.1L32 G43 I45 L109 E110 L242 F243L32-Y209 VanDerWaalsContact CD2-OH 3.27Å; L32-Y209 WeakPolarHBondContact CD2-OH 3.44Å; G43-Y209 PolarHBondContact N-O 3.05Å; G43-Y209 PolarHBondContact O-N 3.39Å; I45-Y209 HydrophobicContact CB-CE1 4.01Å; I45-Y209 HydrophobicContact CG2-CD1 4.16Å; I45-Y209 HydrophobicContact CG2-CE1 3.83Å; L109-Y209 HydrophobicContact CD1-CD2 4.12Å; L109-Y209 HydrophobicContact CD1-CE2 4.44Å; L109-Y209 HydrophobicContact CD2-CD2 4.09Å; L109-Y209 HydrophobicContact CD2-CE2 4.33Å; E110-Y209 CarbonylContact O-C 3.54Å; E110-Y209 WeakPolarHBondContact O-CA 3.25Å; Y209-L242 WeakPolarHBondContact CE2-O 3.28Å; Y209-L242 PolarHBondContact OH-O 3.4Å; Y209-L242 VanDerWaalsContact OH-O 3.07Å; Y209-F243 HydrophobicContact CE1-CB 4.37Å; Y209-F243 HydrophobicContact CE2-CB 4.4Å; Y209-F243 VanDerWaalsContact OH-CB 3.28Å; Y209-F243 WeakPolarHBondContact OH-CB 3.38Å
210M96.4Very high89.8Confident60 Ų6036.6 Ų36.630%0.29618%0.179SC..EExtended strand (participates in β ladder)trans-138.9149.8166.569.518083.900111.3I40 I41 E110I40-M210 HydrophobicContact CD1-SD 4.21Å; I40-M210 HydrophobicContact CG2-CB 3.68Å; I40-M210 HydrophobicContact CG2-CG 4.34Å; I40-M210 HydrophobicContact CG2-SD 4.37Å; I41-M210 WeakPolarHBondContact O-CA 3.38Å; E110-M210 HydrophobicContact CB-CG 3.89Å; E110-M210 PolarHBondContact N-O 3.3Å; E110-M210 PolarHBondContact O-N 2.66Å
211T95.6Very high90Very high2 Ų232.8 Ų32.81%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-73.7146.317660.20000111.2I41 L109 V218 L242I41-T211 HydrophobicContact CB-CG2 3.96Å; I41-T211 PolarHBondContact N-OG1 3.03Å; I41-T211 PolarHBondContact O-N 3.21Å; I41-T211 PolarHBondContact O-OG1 2.81Å; L109-T211 HydrophobicContact CD2-CG2 3.96Å; T211-V218 HydrophobicContact CG2-CG2 4.28Å; T211-L242 HydrophobicContact CG2-CD1 4.35Å
212R90Very high90.2Very high131 Ų13136.6 Ų36.649%0.49418%0.176SC..  trans-90.4153.5166.4-60.8175.3-177.5-119.5-4.2110.6D108 L214 G215D108-R212 HydrophobicContact CB-CB 4.42Å; D108-R212 WeakPolarHBondContact O-CB 3.45Å; D108-R212 VanDerWaalsContact O-CG 3.25Å; D108-R212 WeakPolarHBondContact O-CG 3.36Å; D108-R212 PolarHBondContact O-N 2.98Å; R212-L214 PolarHBondContact O-N 3.18Å; R212-G215 PolarHBondContact O-N 3.01Å
213T78.8Confident90.3Very high95 Ų9536.8 Ų36.858%0.58318%0.177SC*.THydrogen-bonded Turntrans-67.1-16.4179.754.80000114K39K39-T213 HydrophobicContact CB-CG2 4.17Å
214L73.3Confident90.4Very high120 Ų12037.1 Ų37.163%0.62818%0.18SC*.THydrogen-bonded Turntrans-90.3-6.4179.2-67.8169.3000113.3R212R212-L214 PolarHBondContact O-N 3.18Å
215G77.1Confident90.5Very high5 Ų539.6 Ų39.65%0.05219%0.193CC..  trans-68.9130.8-175.800000112.8D108 R212 S217 V218D108-G215 VanDerWaalsContact CB-CA 3.47Å; R212-G215 PolarHBondContact O-N 3.01Å; G215-S217 PolarHBondContact O-N 2.94Å; G215-V218 PolarHBondContact O-N 2.97Å
216G78.1Confident90.4Very high21 Ų2144.8 Ų44.822%0.21622%0.221CC..THydrogen-bonded Turntrans-65.3-18.6-174.400000115.9
217S84.6Confident90.3Very high0 Ų050.3 Ų50.30%024%0.242CC..THydrogen-bonded Turntrans-71.7-43179.6-167.60000113.1G215 T232 A233 N238 N239G215-S217 PolarHBondContact O-N 2.94Å; S217-T232 CarbonylContact O-C 3.55Å; S217-T232 WeakPolarHBondContact O-CA 3.43Å; S217-A233 PolarHBondContact O-N 3.06Å; S217-N238 WeakPolarHBondContact CB-O 3.3Å; S217-N239 PolarHBondContact OG-OD1 3.45Å; S217-N239 VanDerWaalsContact OG-OD1 3.13Å
218V90.1Very high90.2Very high9 Ų954.2 Ų54.26%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-104.6122.5-164.2-174.60000110.2I41 T211 G215 W220 V230 L242I41-V218 HydrophobicContact CD1-CG1 4.05Å; I41-V218 HydrophobicContact CD1-CG2 4.31Å; T211-V218 HydrophobicContact CG2-CG2 4.28Å; G215-V218 PolarHBondContact O-N 2.97Å; V218-W220 HydrophobicContact CG1-CZ2 4.38Å; V218-V230 HydrophobicContact CG1-CG2 3.27Å; V218-L242 HydrophobicContact CG2-CB 4.49Å; V218-L242 HydrophobicContact CG2-CD1 3.7Å
219R90.4Very high90.1Very high46 Ų4651 Ų5117%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-108.7103-179.6-60-57.4-178.9126.25.6110.4V230 Y231 D834R219-V230 VanDerWaalsContact O-CA 3.29Å; R219-V230 WeakPolarHBondContact O-CA 3.32Å; R219-Y231 HydrophobicContact CB-CD1 4.34Å; R219-Y231 HydrophobicContact CB-CD2 4.36Å; R219-Y231 HydrophobicContact CB-CE1 3.93Å; R219-Y231 HydrophobicContact CB-CE2 3.94Å; R219-Y231 HydrophobicContact CG-CE2 4.03Å; R219-Y231 PolarHBondContact N-O 2.67Å; R219-Y231 PolarHBondContact O-N 2.92Å; R219-D834 VanDerWaalsContact CZ-CG 3.48Å; R219-D834 IonicContact CZ-OD1 2.78Å; R219-D834 VanDerWaalsContact CZ-OD1 3.23Å; R219-D834 IonicContact CZ-OD2 3.96Å; R219-D834 VanDerWaalsContact CZ-OD2 3.3Å; R219-D834 IonicContact NH1-OD1 3.26Å; R219-D834 PolarHBondContact NH1-OD1 3.41Å; R219-D834 IonicContact NH1-OD2 2.64Å; R219-D834 PolarHBondContact NH1-OD2 3.1Å; R219-D834 IonicContact NH2-OD1 3.7Å; R219-D834 PolarHBondContact NH2-OD1 3.12Å; R219-D834 IonicContact NH2-OD2 3.12Å; R219-D834 PolarHBondContact NH2-OD2 3.09Å
220W92.1Very high90Very high36 Ų3650.8 Ų50.814%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-86.1115171.3-63.493.4000109.6V34 C35 F36 K39 I40 I41 V218 V230V34-W220 HydrophobicContact CG1-CH2 3.76Å; V34-W220 HydrophobicContact CG1-CZ3 4.17Å; C35-W220 WeakPolarHBondContact O-CH2 3.32Å; F36-W220 HydrophobicContact CD1-CE3 4.07Å; F36-W220 AromaticContact CD1-CZ3 3.67Å; F36-W220 HydrophobicContact CD1-CZ3 3.67Å; F36-W220 HydrophobicContact CE1-CE3 4.37Å; F36-W220 AromaticContact CE1-CZ3 4Å; F36-W220 HydrophobicContact CE1-CZ3 4Å; F36-W220 HydrophobicContact CG-CZ3 4.23Å; K39-W220 HydrophobicContact CB-CB 4.37Å; K39-W220 HydrophobicContact CB-CD2 3.68Å; K39-W220 HydrophobicContact CB-CE3 4.13Å; K39-W220 HydrophobicContact CB-CG 3.77Å; K39-W220 HydrophobicContact CD-CB 3.99Å; K39-W220 HydrophobicContact CD-CG 4.29Å; K39-W220 HydrophobicContact CG-CB 4.24Å; K39-W220 HydrophobicContact CG-CD2 4.06Å; K39-W220 HydrophobicContact CG-CE3 4.14Å; K39-W220 HydrophobicContact CG-CG 4.11Å; K39-W220 VanDerWaalsContact O-CE2 3.3Å; K39-W220 PolarHBondContact O-NE1 3.23Å; K39-W220 VanDerWaalsContact O-NE1 3.08Å; I40-W220 VanDerWaalsContact C-CZ2 3.47Å; I41-W220 HydrophobicContact CG1-CH2 4.3Å; I41-W220 HydrophobicContact CG1-CZ2 3.83Å; V218-W220 HydrophobicContact CG1-CZ2 4.38Å; W220-V230 HydrophobicContact CD2-CB 4.05Å; W220-V230 HydrophobicContact CD2-CG2 3.8Å; W220-V230 HydrophobicContact CE3-CB 3.7Å; W220-V230 HydrophobicContact CE3-CG1 4.33Å; W220-V230 HydrophobicContact CE3-CG2 3.97Å; W220-V230 HydrophobicContact CG-CG2 4.3Å; W220-V230 HydrophobicContact CH2-CB 4.31Å; W220-V230 HydrophobicContact CH2-CG1 4.21Å; W220-V230 HydrophobicContact CH2-CG2 4.29Å; W220-V230 HydrophobicContact CZ2-CG2 4.1Å; W220-V230 HydrophobicContact CZ3-CB 3.84Å; W220-V230 HydrophobicContact CZ3-CG1 3.94Å; W220-V230 HydrophobicContact CZ3-CG2 4.21Å
221T92.8Very high90Very high25 Ų2548.3 Ų48.315%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-152.2-169.9-176-1680000110.7C229 Y231 P460T221-C229 PolarHBondContact N-O 3.28Å; T221-C229 PolarHBondContact O-N 2.8Å; T221-Y231 HydrophobicContact CG2-CD1 4.47Å; T221-Y231 HydrophobicContact CG2-CE1 3.82Å; T221-P460 HydrophobicContact CG2-CB 3.72Å; T221-P460 HydrophobicContact CG2-CG 3.6Å
222K93.4Very high89.9Confident83 Ų8348.2 Ų48.236%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-112.2146171.8-60.8-175-176.4170.40110.7N226 R227 P460K222-N226 WeakPolarHBondContact CD-OD1 3.35Å; K222-N226 PolarHBondContact NZ-OD1 3.14Å; K222-R227 CarbonylContact C-O 3.49Å; K222-R227 WeakPolarHBondContact CA-O 3.45Å; K222-P460 WeakPolarHBondContact O-CB 3.37Å
223D93.9Very high89.6Confident8 Ų842.7 Ų42.74%0.04322%0.216CC..  trans-75.3178.6168.671.913.5000111.3D225 N226 R227 P420D223-D225 PolarHBondContact O-N 2.83Å; D223-D225 VanDerWaalsContact O-N 3.17Å; D223-D225 WeakPolarHBondContact OD1-CA 3.34Å; D223-D225 WeakPolarHBondContact OD1-CB 3.49Å; D223-D225 PolarHBondContact OD1-N 2.82Å; D223-N226 WeakPolarHBondContact O-CA 3.45Å; D223-N226 PolarHBondContact O-N 3.21Å; D223-N226 PolarHBondContact OD1-N 2.74Å; D223-R227 PolarHBondContact N-O 3.03Å; D223-R227 WeakPolarHBondContact OD1-CB 3.4Å; D223-R227 PolarHBondContact OD1-N 2.87Å; D223-P420 HydrophobicContact CB-CG 4.19Å
224Q94Very high89.7Confident47 Ų4738.2 Ų38.222%0.2219%0.189CC..THydrogen-bonded Turntrans-66.7-12.5-179.4-68.183.3-1800114N226 P420 C422 L423 V459Q224-N226 VanDerWaalsContact C-N 3.34Å; Q224-P420 HydrophobicContact CB-CB 4.23Å; Q224-P420 HydrophobicContact CB-CG 4.09Å; Q224-P420 HydrophobicContact CG-CG 4.46Å; Q224-C422 VanDerWaalsContact CB-SG 3.52Å; Q224-L423 HydrophobicContact CB-CD1 4.33Å; Q224-L423 HydrophobicContact CB-CG 4.48Å; Q224-L423 HydrophobicContact CG-CD1 3.85Å; Q224-L423 HydrophobicContact CG-CG 4.47Å; Q224-V459 PolarHBondContact NE2-O 3.15Å
225D95.1Very high90.1Very high52 Ų5235.5 Ų35.528%0.27818%0.18SC..THydrogen-bonded Turntrans-9611.5171.5-66.5-44.1000111.8D223 R227 P420 A421 C422D223-D225 PolarHBondContact O-N 2.83Å; D223-D225 VanDerWaalsContact O-N 3.17Å; D223-D225 WeakPolarHBondContact OD1-CA 3.34Å; D223-D225 WeakPolarHBondContact OD1-CB 3.49Å; D223-D225 PolarHBondContact OD1-N 2.82Å; D225-R227 HydrophobicContact CB-CG 4.24Å; D225-R227 PolarHBondContact O-N 2.79Å; D225-P420 VanDerWaalsContact OD2-CB 3.29Å; D225-P420 WeakPolarHBondContact OD2-CB 3.32Å; D225-A421 WeakPolarHBondContact OD2-CA 3.44Å; D225-A421 WeakPolarHBondContact OD2-CB 3.26Å; D225-A421 PolarHBondContact OD2-N 3.33Å; D225-C422 WeakPolarHBondContact OD1-CB 3.27Å; D225-C422 PolarHBondContact OD1-N 2.89Å; D225-C422 PolarHBondContact OD1-SG 3.12Å; D225-C422 PolarHBondContact OD2-N 2.94Å
226N94.1Very high90.2Very high108 Ų10837.4 Ų37.458%0.57819%0.191SC*.SBendtrans59.730.8-177.6-177.756.6000112.5K222 D223 Q224K222-N226 WeakPolarHBondContact CD-OD1 3.35Å; K222-N226 PolarHBondContact NZ-OD1 3.14Å; D223-N226 WeakPolarHBondContact O-CA 3.45Å; D223-N226 PolarHBondContact O-N 3.21Å; D223-N226 PolarHBondContact OD1-N 2.74Å; Q224-N226 VanDerWaalsContact C-N 3.34Å
227R95.1Very high90.5Very high132 Ų13236.9 Ų36.950%0.49818%0.183SC..  trans-99.2144.1173.5-57.9-176.4175.1-142.12.1110.6K222 D223 D225 C229 H307K222-R227 CarbonylContact C-O 3.49Å; K222-R227 WeakPolarHBondContact CA-O 3.45Å; D223-R227 PolarHBondContact N-O 3.03Å; D223-R227 WeakPolarHBondContact OD1-CB 3.4Å; D223-R227 PolarHBondContact OD1-N 2.87Å; D225-R227 HydrophobicContact CB-CG 4.24Å; D225-R227 PolarHBondContact O-N 2.79Å; R227-C229 PolarHBondContact O-N 3.49Å; R227-H307 HydrophobicContact CB-CB 4.19Å; R227-H307 VanDerWaalsContact CD-CB 3.45Å; R227-H307 HydrophobicContact CG-CB 4.5Å
228E94.8Very high90.6Very high83 Ų8339.6 Ų39.639%0.38820%0.198SC..EExtended strand (participates in β ladder)trans-64.9137.7179-60.2-170140.800111.1F36 H307F36-E228 HydrophobicContact CD1-CB 3.78Å; F36-E228 HydrophobicContact CE1-CB 4.15Å; F36-E228 HydrophobicContact CG-CB 4.49Å; E228-H307 PolarHBondContact O-ND1 3.3Å; E228-H307 VanDerWaalsContact O-ND1 3.16Å
229C95.9Very high90.8Very high1 Ų139.1 Ų39.11%0.00720%0.195CC..EExtended strand (participates in β ladder)trans-149.5162.9174.667.20000110.3T221 R227 V305 W308 P460T221-C229 PolarHBondContact N-O 3.28Å; T221-C229 PolarHBondContact O-N 2.8Å; R227-C229 PolarHBondContact O-N 3.49Å; C229-V305 CarbonylContact C-O 3.55Å; C229-V305 WeakPolarHBondContact CA-O 3.29Å; C229-W308 HydrophobicContact CB-CH2 4.03Å; C229-W308 HydrophobicContact CB-CZ2 3.7Å; C229-P460 WeakPolarHBondContact SG-CG 3.45Å
230V95.3Very high90.8Very high2 Ų237.2 Ų37.21%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-138.8138.6175.760.30000109.6V34 F36 V218 R219 W220 A304 V305V34-V230 HydrophobicContact CG1-CG1 3.79Å; F36-V230 HydrophobicContact CE1-CB 4.44Å; F36-V230 HydrophobicContact CE1-CG1 4.15Å; F36-V230 HydrophobicContact CZ-CG1 4.23Å; V218-V230 HydrophobicContact CG1-CG2 3.27Å; R219-V230 VanDerWaalsContact O-CA 3.29Å; R219-V230 WeakPolarHBondContact O-CA 3.32Å; W220-V230 HydrophobicContact CD2-CB 4.05Å; W220-V230 HydrophobicContact CD2-CG2 3.8Å; W220-V230 HydrophobicContact CE3-CB 3.7Å; W220-V230 HydrophobicContact CE3-CG1 4.33Å; W220-V230 HydrophobicContact CE3-CG2 3.97Å; W220-V230 HydrophobicContact CG-CG2 4.3Å; W220-V230 HydrophobicContact CH2-CB 4.31Å; W220-V230 HydrophobicContact CH2-CG1 4.21Å; W220-V230 HydrophobicContact CH2-CG2 4.29Å; W220-V230 HydrophobicContact CZ2-CG2 4.1Å; W220-V230 HydrophobicContact CZ3-CB 3.84Å; W220-V230 HydrophobicContact CZ3-CG1 3.94Å; W220-V230 HydrophobicContact CZ3-CG2 4.21Å; V230-A304 CarbonylContact O-C 3.51Å; V230-A304 VanDerWaalsContact O-CA 3.32Å; V230-A304 WeakPolarHBondContact O-CA 3.43Å; V230-V305 HydrophobicContact CG1-CB 3.83Å; V230-V305 HydrophobicContact CG1-CG2 4.44Å; V230-V305 PolarHBondContact N-O 2.83Å; V230-V305 PolarHBondContact O-N 3.47Å
231Y94.9Very high90.9Very high8 Ų835.5 Ų35.53%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-144.1160.5172.865.7-88.1000111.2R219 T221 L303 P460 F463 F475R219-Y231 HydrophobicContact CB-CD1 4.34Å; R219-Y231 HydrophobicContact CB-CD2 4.36Å; R219-Y231 HydrophobicContact CB-CE1 3.93Å; R219-Y231 HydrophobicContact CB-CE2 3.94Å; R219-Y231 HydrophobicContact CG-CE2 4.03Å; R219-Y231 PolarHBondContact N-O 2.67Å; R219-Y231 PolarHBondContact O-N 2.92Å; T221-Y231 HydrophobicContact CG2-CD1 4.47Å; T221-Y231 HydrophobicContact CG2-CE1 3.82Å; Y231-L303 CarbonylContact C-O 3.52Å; Y231-L303 VanDerWaalsContact CA-O 3.25Å; Y231-L303 WeakPolarHBondContact CA-O 3.39Å; Y231-P460 HydrophobicContact CD1-CG 4.2Å; Y231-P460 HydrophobicContact CE1-CB 4.33Å; Y231-P460 HydrophobicContact CE1-CG 3.83Å; Y231-F463 AromaticContact CE2-CD2 3.75Å; Y231-F463 HydrophobicContact CE2-CD2 3.75Å; Y231-F463 HydrophobicContact CE2-CE2 4.23Å; Y231-F475 HydrophobicContact CD2-CD2 4.35Å; Y231-F475 HydrophobicContact CD2-CE2 4.1Å; Y231-F475 HydrophobicContact CG-CE2 4.43Å
232T92.9Very high91Very high1 Ų134.3 Ų34.31%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-97.8140.4179.257.50000111.8S217 L242 T302 L303S217-T232 CarbonylContact O-C 3.55Å; S217-T232 WeakPolarHBondContact O-CA 3.43Å; T232-L242 HydrophobicContact CG2-CD1 4.32Å; T232-L242 HydrophobicContact CG2-CD2 3.66Å; T232-T302 VanDerWaalsContact OG1-CA 3.32Å; T232-T302 WeakPolarHBondContact OG1-CA 3.32Å; T232-L303 HydrophobicContact CG2-CB 3.88Å; T232-L303 PolarHBondContact N-O 3.27Å; T232-L303 PolarHBondContact OG1-N 2.9Å; T232-L303 PolarHBondContact OG1-O 3.28Å
233A84.8Confident91.1Very high15 Ų1530.5 Ų30.512%0.12416%0.158CC..  trans-117.370.3167.100000108.8S217 N238S217-A233 PolarHBondContact O-N 3.06Å; A233-N238 WeakPolarHBondContact O-CB 3.22Å; A233-N238 PolarHBondContact O-ND2 3.47Å; A233-N238 VanDerWaalsContact O-ND2 3.15Å
234G80.8Confident91.3Very high0 Ų030.1 Ų30.10%016%0.156CC..  trans-78.4-30.1-166.300000115.5P236 I237 N238 N239G234-P236 CarbonylContact O-C 3.54Å; G234-I237 PolarHBondContact O-N 3.35Å; G234-I237 VanDerWaalsContact O-N 3.1Å; G234-N238 PolarHBondContact O-N 3.14Å; G234-N239 WeakPolarHBondContact CA-OD1 3.33Å
235S81.6Confident91.3Very high64 Ų6427.9 Ų27.945%0.44815%0.145SC..THydrogen-bonded Turntrans-77.9142.3-179-172.40000111.8
236P78.4Confident91.3Very high44 Ų4425.4 Ų25.429%0.28613%0.132SC..THydrogen-bonded Turncis-80.6-21.4-3.130.2-32.2000113.4G234 S299 W518G234-P236 CarbonylContact O-C 3.54Å; P236-S299 WeakPolarHBondContact O-CB 3.4Å; P236-W518 HydrophobicContact CB-CD2 3.99Å; P236-W518 HydrophobicContact CB-CE3 3.64Å; P236-W518 HydrophobicContact CB-CH2 4.23Å; P236-W518 HydrophobicContact CB-CZ3 3.78Å; P236-W518 WeakPolarHBondContact O-CH2 3.18Å; P236-W518 WeakPolarHBondContact O-CZ2 3.06Å
237I85.2Confident91.1Very high10 Ų1020.3 Ų20.35%0.05111%0.105CC..THydrogen-bonded Turntrans-152.514-163.164.5-173.1000116.4L14 G234 N239 R240 E247 W518 I594L14-I237 HydrophobicContact CD2-CD1 3.18Å; L14-I237 HydrophobicContact CD2-CG1 4.3Å; G234-I237 PolarHBondContact O-N 3.35Å; G234-I237 VanDerWaalsContact O-N 3.1Å; I237-N239 VanDerWaalsContact C-N 3.32Å; I237-R240 PolarHBondContact O-NE 2.92Å; I237-E247 WeakPolarHBondContact CA-OE2 3.31Å; I237-W518 HydrophobicContact CG2-CD2 4.32Å; I237-W518 HydrophobicContact CG2-CG 4.31Å; I237-W518 HydrophobicContact CG2-CZ2 4.49Å; I237-I594 HydrophobicContact CB-CD1 4.36Å; I237-I594 HydrophobicContact CD1-CD1 3.45Å; I237-I594 VanDerWaalsContact CD1-CD1 3.45Å; I237-I594 HydrophobicContact CG1-CD1 4.46Å; I237-I594 HydrophobicContact CG2-CD1 3.41Å; I237-I594 VanDerWaalsContact CG2-CD1 3.41Å
238N87.7Confident90.7Very high57 Ų5714.1 Ų14.131%0.3058%0.081SC..G310 helixtrans-80.8-14.7-174.4-72.1-35.7000111.9S217 A233 G234 R240 A241S217-N238 WeakPolarHBondContact CB-O 3.3Å; A233-N238 WeakPolarHBondContact O-CB 3.22Å; A233-N238 PolarHBondContact O-ND2 3.47Å; A233-N238 VanDerWaalsContact O-ND2 3.15Å; G234-N238 PolarHBondContact O-N 3.14Å; N238-R240 PolarHBondContact O-N 3.5Å; N238-R240 VanDerWaalsContact O-N 3.09Å; N238-A241 WeakPolarHBondContact O-CB 3.38Å; N238-A241 PolarHBondContact O-N 3.09Å
239N92.8Very high90.2Very high0 Ų010.4 Ų10.40%07%0.065CC..G310 helixtrans-64.4-16.7-175.6-80.8-18.7000114.5S217 G234 I237 A241 L242 F243 E247 A298 F301S217-N239 PolarHBondContact OG-OD1 3.45Å; S217-N239 VanDerWaalsContact OG-OD1 3.13Å; G234-N239 WeakPolarHBondContact CA-OD1 3.33Å; I237-N239 VanDerWaalsContact C-N 3.32Å; N239-A241 PolarHBondContact O-N 3.19Å; N239-A241 VanDerWaalsContact O-N 3.09Å; N239-L242 WeakPolarHBondContact O-CA 3.34Å; N239-L242 WeakPolarHBondContact O-CB 3.49Å; N239-L242 PolarHBondContact O-N 3.17Å; N239-F243 HydrophobicContact CB-CE1 4.15Å; N239-F243 PolarHBondContact O-N 3.32Å; N239-E247 WeakPolarHBondContact CA-OE1 3.4Å; N239-E247 PolarHBondContact N-OE1 3.18Å; N239-E247 VanDerWaalsContact N-OE1 3.15Å; N239-A298 PolarHBondContact ND2-O 3.33Å; N239-F301 PolarHBondContact ND2-O 2.88Å
240R92Very high89.8Confident5 Ų512.2 Ų12.22%0.0198%0.076CC..G310 helixtrans-55.4-18.9162.776.3178.185.1-170.312.9114.7P15 D105 C106 C107 I237 N238 E247P15-R240 PolarHBondContact O-NH1 3.15Å; P15-R240 VanDerWaalsContact O-NH1 3.14Å; D105-R240 HydrophobicContact CB-CB 4.1Å; C106-R240 WeakPolarHBondContact CA-O 3.14Å; C107-R240 HydrophobicContact CB-CG 4.43Å; C107-R240 PolarHBondContact N-O 3.13Å; I237-R240 PolarHBondContact O-NE 2.92Å; N238-R240 PolarHBondContact O-N 3.5Å; N238-R240 VanDerWaalsContact O-N 3.09Å; R240-E247 HydrophobicContact CB-CG 3.99Å; R240-E247 PolarHBondContact N-OE1 3.27Å
241A93.1Very high89.6Confident1 Ų112.2 Ų12.21%0.0088%0.076CC..G310 helixtrans-96.11.9172.600000114.2C107 D108 L109 N238 N239C107-A241 VanDerWaalsContact O-CA 3.23Å; C107-A241 WeakPolarHBondContact O-CA 3.35Å; D108-A241 HydrophobicContact CB-CB 4.4Å; L109-A241 VanDerWaalsContact CD2-O 3.31Å; L109-A241 WeakPolarHBondContact CD2-O 3.41Å; N238-A241 WeakPolarHBondContact O-CB 3.38Å; N238-A241 PolarHBondContact O-N 3.09Å; N239-A241 PolarHBondContact O-N 3.19Å; N239-A241 VanDerWaalsContact O-N 3.09Å
242L95.3Very high89.5Confident0 Ų014.3 Ų14.30%09%0.087CC..THydrogen-bonded Turntrans-109.2-38.3172.1177.965.8000111.9I41 Y209 T211 V218 T232 N239 F301I41-L242 HydrophobicContact CD1-CD1 3.92Å; Y209-L242 WeakPolarHBondContact CE2-O 3.28Å; Y209-L242 PolarHBondContact OH-O 3.4Å; Y209-L242 VanDerWaalsContact OH-O 3.07Å; T211-L242 HydrophobicContact CG2-CD1 4.35Å; V218-L242 HydrophobicContact CG2-CB 4.49Å; V218-L242 HydrophobicContact CG2-CD1 3.7Å; T232-L242 HydrophobicContact CG2-CD1 4.32Å; T232-L242 HydrophobicContact CG2-CD2 3.66Å; N239-L242 WeakPolarHBondContact O-CA 3.34Å; N239-L242 WeakPolarHBondContact O-CB 3.49Å; N239-L242 PolarHBondContact O-N 3.17Å; L242-F301 HydrophobicContact CD2-CD1 3.61Å; L242-F301 HydrophobicContact CD2-CE1 3.53Å
243F96.1Very high89.5Confident3 Ų314.3 Ų14.31%0.0139%0.087CC..SBendtrans-155.4152.4174.862.5-85.2000111.2Y28 L30 I45 Y209 N239 C245 A298 F301Y28-F243 HydrophobicContact CD1-CE2 4.16Å; Y28-F243 HydrophobicContact CE1-CD2 4.45Å; Y28-F243 HydrophobicContact CE1-CE2 4.04Å; Y28-F243 HydrophobicContact CG-CE2 4.49Å; L30-F243 HydrophobicContact CD2-CB 4.34Å; L30-F243 HydrophobicContact CD2-CD1 4.01Å; L30-F243 HydrophobicContact CD2-CD2 4.47Å; L30-F243 HydrophobicContact CD2-CE1 4.42Å; L30-F243 HydrophobicContact CD2-CG 4.05Å; I45-F243 HydrophobicContact CD1-CB 3.97Å; I45-F243 HydrophobicContact CD1-CD2 3.36Å; I45-F243 HydrophobicContact CD1-CE2 4.1Å; I45-F243 HydrophobicContact CD1-CG 3.94Å; Y209-F243 HydrophobicContact CE1-CB 4.37Å; Y209-F243 HydrophobicContact CE2-CB 4.4Å; Y209-F243 VanDerWaalsContact OH-CB 3.28Å; Y209-F243 WeakPolarHBondContact OH-CB 3.38Å; N239-F243 HydrophobicContact CB-CE1 4.15Å; N239-F243 PolarHBondContact O-N 3.32Å; F243-C245 HydrophobicContact CD2-CB 3.7Å; F243-C245 HydrophobicContact CE2-CB 3.41Å; F243-C245 VanDerWaalsContact CE2-CB 3.41Å; F243-C245 HydrophobicContact CZ-CB 4.19Å; F243-C245 PolarHBondContact O-N 2.89Å; F243-A298 HydrophobicContact CZ-CB 4.33Å; F243-F301 HydrophobicContact CE1-CB 4.1Å; F243-F301 HydrophobicContact CE1-CD1 4.01Å; F243-F301 HydrophobicContact CE1-CD2 4.32Å; F243-F301 AromaticContact CE1-CG 3.89Å; F243-F301 HydrophobicContact CE1-CG 3.89Å; F243-F301 HydrophobicContact CZ-CB 4.33Å; F243-F301 HydrophobicContact CZ-CG 4.37Å
244P96.4Very high90Very high0 Ų014.5 Ų14.50%09%0.086CC..  trans-64.4122.9173.2-19.532.9000110.8L104 C106 L109 L188 I207L104-P244 HydrophobicContact CB-CB 4.4Å; L104-P244 HydrophobicContact CD1-CB 4.03Å; C106-P244 HydrophobicContact CB-CB 4.46Å; L109-P244 HydrophobicContact CD1-CG 3.92Å; L188-P244 HydrophobicContact CD2-CB 3.92Å; L188-P244 HydrophobicContact CD2-CG 4.02Å; I207-P244 HydrophobicContact CD1-CB 4.23Å; I207-P244 HydrophobicContact CD1-CG 4.41Å; I207-P244 HydrophobicContact CG2-CG 4.17Å
245C95.6Very high90.8Very high0 Ų014.8 Ų14.80%09%0.087CC..BIsolated β-bridgetrans-145.7-176.7-170.763.40000113.2Y28 L104 D105 F243 A298Y28-C245 HydrophobicContact CE1-CB 4.44Å; L104-C245 CarbonylContact C-O 3.57Å; L104-C245 WeakPolarHBondContact CA-O 3.45Å; D105-C245 PolarHBondContact N-O 3.34Å; D105-C245 PolarHBondContact O-N 3.27Å; F243-C245 HydrophobicContact CD2-CB 3.7Å; F243-C245 HydrophobicContact CE2-CB 3.41Å; F243-C245 VanDerWaalsContact CE2-CB 3.41Å; F243-C245 HydrophobicContact CZ-CB 4.19Å; F243-C245 PolarHBondContact O-N 2.89Å; C245-A298 HydrophobicContact CB-CB 4.04Å
246Q94.8Very high91.5Very high0 Ų012.7 Ų12.70%07%0.07CC..  trans-112.3106.1167.1-60.6-175.1-49.800107.6A18 T20 I23 V25 Y28 L104 A251A18-Q246 HydrophobicContact CB-CB 4.1Å; A18-Q246 HydrophobicContact CB-CG 3.99Å; T20-Q246 HydrophobicContact CG2-CB 4.29Å; I23-Q246 PolarHBondContact O-NE2 3.5Å; V25-Q246 HydrophobicContact CG2-CG 4.05Å; Y28-Q246 PolarHBondContact OH-N 3.01Å; L104-Q246 HydrophobicContact CD2-CG 3.95Å; Q246-A251 HydrophobicContact CB-CB 3.43Å; Q246-A251 VanDerWaalsContact CB-CB 3.43Å; Q246-A251 HydrophobicContact CG-CB 4.47Å
247E88.9Confident92.3Very high0 Ų010.7 Ų10.70%06%0.058CC..  trans-80-24.6-175.3-75.8-71.3-176.400116.1L16 D105 I237 N239 R240 W518L16-E247 HydrophobicContact CD1-CB 4.37Å; L16-E247 HydrophobicContact CD2-CB 4.2Å; D105-E247 HydrophobicContact CB-CB 4.18Å; D105-E247 HydrophobicContact CB-CG 3.86Å; D105-E247 PolarHBondContact OD2-N 3.07Å; I237-E247 WeakPolarHBondContact CA-OE2 3.31Å; N239-E247 WeakPolarHBondContact CA-OE1 3.4Å; N239-E247 PolarHBondContact N-OE1 3.18Å; N239-E247 VanDerWaalsContact N-OE1 3.15Å; R240-E247 HydrophobicContact CB-CG 3.99Å; R240-E247 PolarHBondContact N-OE1 3.27Å; E247-W518 PolarHBondContact O-NE1 3.24Å
248P87.2Confident92.9Very high2 Ų213.4 Ų13.41%0.0137%0.067CC..SBendtrans-54.5133.7174.6-2834.9000110.7L16 T20 D105 V250 A251L16-P248 HydrophobicContact CB-CG 4.02Å; L16-P248 HydrophobicContact CD1-CB 4.25Å; L16-P248 HydrophobicContact CD1-CG 3.78Å; T20-P248 HydrophobicContact CG2-CB 4.35Å; T20-P248 HydrophobicContact CG2-CG 4.04Å; D105-P248 WeakPolarHBondContact OD2-CD 3.39Å; P248-V250 HydrophobicContact CB-CG2 3.84Å; P248-V250 PolarHBondContact O-N 3.42Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 3.16Å
249P84.3Confident93.3Very high6 Ų610.7 Ų10.74%0.0395%0.053CC..THydrogen-bonded Turntrans-54.4-34.4-174.1-26.434000112.8A251 M252 A515 W518 L643P249-A251 PolarHBondContact O-N 2.95Å; P249-A251 VanDerWaalsContact O-N 3.09Å; P249-M252 WeakPolarHBondContact O-CG 3.41Å; P249-A515 VanDerWaalsContact CB-O 3.26Å; P249-A515 WeakPolarHBondContact CB-O 3.36Å; P249-W518 HydrophobicContact CG-CD2 3.89Å; P249-W518 HydrophobicContact CG-CG 4.09Å; P249-W518 HydrophobicContact CG-CZ2 3.9Å; P249-L643 HydrophobicContact CB-CD1 4.06Å; P249-L643 HydrophobicContact CB-CD2 4.42Å; P249-L643 VanDerWaalsContact O-CD1 3.22Å; P249-L643 WeakPolarHBondContact O-CD1 3.47Å
250V86.9Confident93.5Very high39 Ų3912.9 Ų12.924%0.2366%0.061CC..THydrogen-bonded Turntrans-58-19177.3-62.50000114.6P248 M252 R516 L643P248-V250 HydrophobicContact CB-CG2 3.84Å; P248-V250 PolarHBondContact O-N 3.42Å; V250-M252 VanDerWaalsContact C-N 3.3Å; V250-M252 PolarHBondContact O-N 3.01Å; V250-R516 HydrophobicContact CG1-CG 3.95Å; V250-L643 HydrophobicContact CB-CD1 4.49Å; V250-L643 HydrophobicContact CG1-CD1 4.25Å
251A90.9Very high93.7Very high1 Ų112.6 Ų12.61%0.0086%0.06CC..  trans-89.160.217800000111.9T20 L24 Q246 P248 P249T20-A251 HydrophobicContact CG2-CB 3.95Å; L24-A251 HydrophobicContact CD2-CB 4.34Å; Q246-A251 HydrophobicContact CB-CB 3.43Å; Q246-A251 VanDerWaalsContact CB-CB 3.43Å; Q246-A251 HydrophobicContact CG-CB 4.47Å; P248-A251 WeakPolarHBondContact O-CB 3.45Å; P248-A251 PolarHBondContact O-N 3.16Å; P249-A251 PolarHBondContact O-N 2.95Å; P249-A251 VanDerWaalsContact O-N 3.09Å
252M92.8Very high93.8Very high53 Ų5313.7 Ų13.726%0.2617%0.067SC..  trans-71.3137.2178.7-60.5-172.9-6600111.9P249 V250 P295 M296 P297 L643P249-M252 WeakPolarHBondContact O-CG 3.41Å; V250-M252 VanDerWaalsContact C-N 3.3Å; V250-M252 PolarHBondContact O-N 3.01Å; M252-P295 HydrophobicContact CB-CB 3.97Å; M252-M296 WeakPolarHBondContact CA-O 3.45Å; M252-P297 HydrophobicContact CG-CG 4.37Å; M252-L643 HydrophobicContact CG-CD1 4.29Å; M252-L643 HydrophobicContact SD-CD1 4.21Å; M252-L643 HydrophobicContact SD-CD2 4.21Å; M252-L643 HydrophobicContact SD-CG 3.98Å
253S94.6Very high93.7Very high1 Ų116.2 Ų16.21%0.0078%0.084CC..EExtended strand (participates in β ladder)trans-140.7156.4-179.2-68.50000111.7V25 Y28 P295 M296V25-S253 PolarHBondContact O-OG 3.28Å; Y28-S253 VanDerWaalsContact CD2-CB 3.48Å; Y28-S253 WeakPolarHBondContact CE2-OG 3.04Å; S253-P295 WeakPolarHBondContact O-CA 3.3Å; S253-M296 PolarHBondContact N-O 2.91Å; S253-M296 PolarHBondContact O-N 3.13Å
254T95.6Very high93.5Very high18 Ų1821.1 Ų21.111%0.1111%0.111CC..EExtended strand (participates in β ladder)trans-89.2162.8163.652.20000109.8R26 H27 Y28 V292 T293 P295R26-T254 PolarHBondContact O-N 3.43Å; R26-T254 VanDerWaalsContact O-N 3.11Å; R26-T254 PolarHBondContact O-OG1 3.06Å; H27-T254 VanDerWaalsContact CA-O 3.32Å; H27-T254 WeakPolarHBondContact CA-O 3.43Å; H27-T254 PolarHBondContact ND1-OG1 3.37Å; Y28-T254 PolarHBondContact N-O 2.65Å; T254-V292 WeakPolarHBondContact CB-O 3.46Å; T254-T293 VanDerWaalsContact CG2-O 3.22Å; T254-T293 WeakPolarHBondContact CG2-O 3.44Å; T254-P295 HydrophobicContact CG2-CB 4.49Å; T254-P295 HydrophobicContact CG2-CG 4.07Å
255W96.3Very high93.4Very high6 Ų621.4 Ų21.42%0.02311%0.113CC..EExtended strand (participates in β ladder)trans-145.7156.7174.361.192.4000113.4Y28 L30 S270 Y291 V292 M296 T300 F301Y28-W255 CarbonylContact O-C 3.59Å; Y28-W255 VanDerWaalsContact O-CA 3.24Å; Y28-W255 WeakPolarHBondContact O-CA 3.47Å; L30-W255 HydrophobicContact CD1-CB 4.25Å; W255-S270 PolarHBondContact NE1-O 3.26Å; W255-Y291 CarbonylContact O-C 3.58Å; W255-Y291 VanDerWaalsContact O-CA 3.26Å; W255-Y291 WeakPolarHBondContact O-CA 3.46Å; W255-V292 HydrophobicContact CD2-CB 3.96Å; W255-V292 HydrophobicContact CD2-CG2 4.25Å; W255-V292 VanDerWaalsContact CE2-CG2 3.41Å; W255-V292 HydrophobicContact CE3-CB 4.32Å; W255-V292 HydrophobicContact CH2-CB 4.09Å; W255-V292 HydrophobicContact CH2-CG1 4Å; W255-V292 HydrophobicContact CH2-CG2 4.1Å; W255-V292 HydrophobicContact CZ2-CB 3.74Å; W255-V292 HydrophobicContact CZ2-CG1 4.1Å; W255-V292 HydrophobicContact CZ2-CG2 3.35Å; W255-V292 HydrophobicContact CZ3-CB 4.38Å; W255-V292 HydrophobicContact CZ3-CG1 4.3Å; W255-V292 PolarHBondContact N-O 3.11Å; W255-V292 PolarHBondContact O-N 3.21Å; W255-M296 HydrophobicContact CH2-CB 3.95Å; W255-M296 HydrophobicContact CH2-CG 4.29Å; W255-M296 HydrophobicContact CH2-SD 3.98Å; W255-M296 HydrophobicContact CZ3-CB 3.82Å; W255-M296 HydrophobicContact CZ3-CG 4.39Å; W255-T300 VanDerWaalsContact CH2-OG1 3.28Å; W255-T300 WeakPolarHBondContact CH2-OG1 3.2Å; W255-F301 AromaticContact CD1-CD2 3.98Å; W255-F301 HydrophobicContact CD2-CD2 4.45Å; W255-F301 HydrophobicContact CG-CD2 4.3Å; W255-F301 AromaticContact NE1-CD2 3.94Å
256Q95.9Very high93.4Very high20 Ų2023.4 Ų23.49%0.09313%0.125CC..EExtended strand (participates in β ladder)trans-131.8139.7160.163.5-169.1-2300109.2H27 Y28 V29 L30 H161 S165 Y290H27-Q256 PolarHBondContact NE2-NE2 3.45Å; Y28-Q256 PolarHBondContact O-N 3.19Å; V29-Q256 CarbonylContact C-O 3.58Å; V29-Q256 WeakPolarHBondContact CA-O 3.06Å; V29-Q256 HydrophobicContact CB-CG 4.16Å; V29-Q256 HydrophobicContact CG1-CG 3.87Å; V29-Q256 HydrophobicContact CG2-CG 3.81Å; L30-Q256 PolarHBondContact N-O 3.02Å; H161-Q256 PolarHBondContact O-NE2 3.01Å; H161-Q256 PolarHBondContact O-OE1 3.49Å; S165-Q256 PolarHBondContact OG-NE2 3.2Å; S165-Q256 PolarHBondContact OG-OE1 3.05Å; S165-Q256 VanDerWaalsContact OG-OE1 3.05Å; Q256-Y290 CarbonylContact C-O 3.57Å; Q256-Y290 VanDerWaalsContact CA-O 3.26Å; Q256-Y290 WeakPolarHBondContact CA-O 3.38Å
257A96.8Very high93.5Very high3 Ų323.4 Ų23.43%0.02513%0.125CC..EExtended strand (participates in β ladder)trans-131.8127-175.700000110L30 M269 N289 Y290 F301L30-A257 HydrophobicContact CB-CB 4.15Å; L30-A257 HydrophobicContact CD1-CB 4.46Å; L30-A257 CarbonylContact O-C 3.55Å; L30-A257 WeakPolarHBondContact O-CA 3.45Å; A257-M269 HydrophobicContact CB-CE 3.74Å; A257-M269 HydrophobicContact CB-SD 4.25Å; A257-N289 CarbonylContact O-C 3.6Å; A257-N289 WeakPolarHBondContact O-CA 3.41Å; A257-Y290 PolarHBondContact N-O 2.99Å; A257-Y290 PolarHBondContact O-N 3.17Å; A257-F301 HydrophobicContact CB-CE2 4.35Å
258R96.1Very high93.9Very high66 Ų6623.5 Ų23.525%0.24913%0.126CC..EExtended strand (participates in β ladder)trans-99.1122165.4-177.3-175.3-179.3-122.4-6.2107.6L30 D31 L32 D280 T287 W288L30-R258 PolarHBondContact O-N 3.12Å; D31-R258 WeakPolarHBondContact CA-O 3.5Å; D31-R258 IonicContact OD1-NH1 2.98Å; D31-R258 IonicContact OD2-NH1 3.42Å; D31-R258 PolarHBondContact OD2-NH1 3.49Å; L32-R258 PolarHBondContact N-O 2.92Å; R258-D280 IonicContact CZ-OD1 3.86Å; R258-D280 IonicContact NH2-OD1 3.41Å; R258-D280 PolarHBondContact NH2-OD1 3.29Å; R258-D280 IonicContact NH2-OD2 2.75Å; R258-T287 HydrophobicContact CG-CG2 3.4Å; R258-T287 VanDerWaalsContact NE-CG2 3.27Å; R258-T287 PolarHBondContact NH2-OG1 3.36Å; R258-W288 CarbonylContact C-O 3.57Å; R258-W288 WeakPolarHBondContact CA-O 3.45Å
259V97.3Very high94.3Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-119120.8178.8-176.50000109.6L32 V34 V267 M269 T287 W288 L303L32-V259 HydrophobicContact CB-CG2 4.4Å; L32-V259 HydrophobicContact CD1-CG2 4.41Å; L32-V259 CarbonylContact O-C 3.57Å; L32-V259 WeakPolarHBondContact O-CA 3.35Å; V34-V259 HydrophobicContact CG2-CG1 4.15Å; V259-V267 HydrophobicContact CB-CG1 4.04Å; V259-V267 HydrophobicContact CG1-CG1 3.94Å; V259-V267 HydrophobicContact CG1-CG2 4.07Å; V259-V267 HydrophobicContact CG2-CG1 4.4Å; V259-M269 HydrophobicContact CG2-CE 4.13Å; V259-M269 HydrophobicContact CG2-SD 3.39Å; V259-M269 WeakPolarHBondContact CG2-SD 3.41Å; V259-T287 CarbonylContact O-C 3.55Å; V259-T287 WeakPolarHBondContact O-CA 3.26Å; V259-W288 PolarHBondContact N-O 3.41Å; V259-W288 PolarHBondContact O-N 3.41Å; V259-L303 HydrophobicContact CG1-CD1 4.27Å; V259-L303 HydrophobicContact CG2-CD1 4.25Å
260R96.7Very high94.8Very high46 Ų4623.1 Ų23.117%0.17412%0.123CC..EExtended strand (participates in β ladder)trans-98.7120.7173.3-174-174.9-169.3-99.6-3.2109.1L32 T33 V34 D280 D282 F285 L286L32-R260 PolarHBondContact O-N 2.9Å; T33-R260 WeakPolarHBondContact CA-O 3.2Å; T33-R260 HydrophobicContact CG2-CB 4.44Å; T33-R260 HydrophobicContact CG2-CG 4.47Å; V34-R260 PolarHBondContact N-O 3.27Å; R260-D280 WeakPolarHBondContact CD-OD2 3.46Å; R260-D280 IonicContact CZ-OD2 2.64Å; R260-D280 IonicContact NE-OD2 3.95Å; R260-D280 PolarHBondContact NE-OD2 2.84Å; R260-D280 IonicContact NH2-OD2 3.18Å; R260-D282 IonicContact NH2-OD2 2.78Å; R260-D282 PolarHBondContact NH2-OD2 3.16Å; R260-F285 HydrophobicContact CG-CB 4.13Å; R260-F285 HydrophobicContact CG-CD1 3.97Å; R260-F285 HydrophobicContact CG-CG 4.35Å; R260-F285 VanDerWaalsContact CZ-CG 3.47Å; R260-L286 WeakPolarHBondContact CA-O 3.41Å
261A96.5Very high95.1Very high0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-142162.1-179.300000111V267 F285 L286 W288 V305A261-V267 HydrophobicContact CB-CG2 3.78Å; A261-F285 VanDerWaalsContact C-CD1 3.44Å; A261-F285 WeakPolarHBondContact O-CA 3.19Å; A261-F285 WeakPolarHBondContact O-CD1 3.2Å; A261-L286 PolarHBondContact N-O 3.37Å; A261-L286 VanDerWaalsContact N-O 3.09Å; A261-L286 PolarHBondContact O-N 3.37Å; A261-W288 HydrophobicContact CB-CE3 4.49Å; A261-W288 HydrophobicContact CB-CZ3 3.85Å; A261-V305 HydrophobicContact CB-CG1 3.64Å
262P94.9Very high95.1Very high24 Ų2422.5 Ų22.516%0.15612%0.117CC..EExtended strand (participates in β ladder)trans-52.8144.6176.4-28.537000113F36 D264 C265 H284 F285F36-P262 HydrophobicContact CD2-CG 3.99Å; F36-P262 HydrophobicContact CE2-CG 4.23Å; P262-D264 VanDerWaalsContact CB-OD1 3.28Å; P262-D264 WeakPolarHBondContact CB-OD1 3.35Å; P262-D264 PolarHBondContact O-N 3.46Å; P262-C265 WeakPolarHBondContact O-CB 3.3Å; P262-C265 PolarHBondContact O-N 3.41Å; P262-H284 CarbonylContact C-O 3.5Å; P262-H284 WeakPolarHBondContact CA-O 3.47Å; P262-F285 HydrophobicContact CG-CE1 4.21Å
263S92.8Very high94.6Very high52 Ų5225.2 Ų25.236%0.36413%0.129SC..THydrogen-bonded Turntrans-65.7-19.6-171.656.90000115H284S263-H284 PolarHBondContact N-O 2.9Å; S263-H284 PolarHBondContact OG-O 2.99Å
264D92.1Very high94.2Very high106 Ų10629.7 Ų29.757%0.56715%0.15SC*.THydrogen-bonded Turntrans-90-4.9177.159-16.4000113.6P262 H307P262-D264 VanDerWaalsContact CB-OD1 3.28Å; P262-D264 WeakPolarHBondContact CB-OD1 3.35Å; P262-D264 PolarHBondContact O-N 3.46Å; D264-H307 PolarHBondContact O-CD2 3.02Å; D264-H307 IonicContact OD1-NE2 2.87Å; D264-H307 IonicContact OD2-NE2 3.92Å; D264-H307 PolarHBondContact OD2-NE2 3.28Å
265C94.9Very high93.8Very high6 Ų629.5 Ų29.54%0.04115%0.15CC..SBendtrans-93.2160.2175.8-660000112.3P262 W288 V305 G306P262-C265 WeakPolarHBondContact O-CB 3.3Å; P262-C265 PolarHBondContact O-N 3.41Å; C265-W288 WeakPolarHBondContact O-CH2 3.37Å; C265-W288 WeakPolarHBondContact O-CZ2 3.41Å; C265-V305 HydrophobicContact CB-CG1 3.97Å; C265-G306 WeakPolarHBondContact CA-O 3.4Å
266V95.5Very high93.4Very high42 Ų4234.8 Ų34.826%0.25518%0.183SC..EExtended strand (participates in β ladder)trans-108.8136.7166.9-179.90000108.2L268 V305 G306 F418V266-L268 HydrophobicContact CG1-CD2 4.03Å; V266-L268 HydrophobicContact CG1-CG 4.09Å; V266-V305 WeakPolarHBondContact O-CA 3.47Å; V266-G306 PolarHBondContact N-O 2.76Å; V266-G306 PolarHBondContact O-N 2.93Å; V266-F418 HydrophobicContact CG1-CE1 4.39Å
267V97.2Very high93.2Very high1 Ų136.8 Ų36.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-102.3130.9170.5179.80000108.7V259 A261 M269 W288 Y290 L303 A304 V305V259-V267 HydrophobicContact CB-CG1 4.04Å; V259-V267 HydrophobicContact CG1-CG1 3.94Å; V259-V267 HydrophobicContact CG1-CG2 4.07Å; V259-V267 HydrophobicContact CG2-CG1 4.4Å; A261-V267 HydrophobicContact CB-CG2 3.78Å; V267-M269 HydrophobicContact CG1-CG 4.03Å; V267-M269 HydrophobicContact CG1-SD 4.29Å; V267-W288 HydrophobicContact CB-CB 4.11Å; V267-W288 HydrophobicContact CB-CD2 3.73Å; V267-W288 HydrophobicContact CB-CE3 4.09Å; V267-W288 HydrophobicContact CB-CG 3.74Å; V267-W288 HydrophobicContact CG1-CB 4.28Å; V267-W288 HydrophobicContact CG1-CG 4.44Å; V267-W288 HydrophobicContact CG2-CD2 3.54Å; V267-W288 HydrophobicContact CG2-CE3 3.36Å; V267-W288 HydrophobicContact CG2-CG 4.06Å; V267-W288 HydrophobicContact CG2-CH2 4.16Å; V267-W288 HydrophobicContact CG2-CZ2 4.34Å; V267-W288 HydrophobicContact CG2-CZ3 3.7Å; V267-Y290 HydrophobicContact CG1-CE2 4.04Å; V267-Y290 PolarHBondContact O-OH 3.4Å; V267-L303 HydrophobicContact CG1-CD1 3.78Å; V267-A304 WeakPolarHBondContact CA-O 3.48Å; V267-V305 HydrophobicContact CB-CG2 4.49Å; V267-V305 HydrophobicContact CG1-CG2 4.28Å; V267-V305 HydrophobicContact CG2-CG1 4.22Å; V267-V305 HydrophobicContact CG2-CG2 3.97Å
268L97.1Very high92.9Very high2 Ų238.8 Ų38.81%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-128.7136.7174.3-61.2174.8000109.2V266 L303 A304 F418 L457 I473V266-L268 HydrophobicContact CG1-CD2 4.03Å; V266-L268 HydrophobicContact CG1-CG 4.09Å; L268-L303 CarbonylContact O-C 3.47Å; L268-A304 PolarHBondContact N-O 3.02Å; L268-A304 PolarHBondContact O-N 3.05Å; L268-F418 HydrophobicContact CD1-CB 3.9Å; L268-F418 HydrophobicContact CD1-CD1 4.22Å; L268-F418 HydrophobicContact CD1-CD2 3.74Å; L268-F418 HydrophobicContact CD1-CE2 4.3Å; L268-F418 HydrophobicContact CD1-CG 3.7Å; L268-F418 HydrophobicContact CD2-CD1 4.46Å; L268-F418 HydrophobicContact CD2-CD2 4.01Å; L268-F418 HydrophobicContact CD2-CE1 4.18Å; L268-F418 HydrophobicContact CD2-CE2 3.7Å; L268-F418 HydrophobicContact CD2-CG 4.39Å; L268-F418 HydrophobicContact CD2-CZ 3.79Å; L268-L457 HydrophobicContact CD1-CB 4.29Å; L268-L457 HydrophobicContact CD1-CD1 4.04Å; L268-L457 HydrophobicContact CD1-CD2 4.24Å; L268-L457 HydrophobicContact CD1-CG 4.42Å; L268-I473 HydrophobicContact CB-CD1 3.68Å; L268-I473 HydrophobicContact CD1-CD1 4.39Å
269M95.3Very high92.5Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans-148.2163.2-174.9-64.6-173.775.400112.6A257 V259 V267 G271 Y290 F301 T302 L303A257-M269 HydrophobicContact CB-CE 3.74Å; A257-M269 HydrophobicContact CB-SD 4.25Å; V259-M269 HydrophobicContact CG2-CE 4.13Å; V259-M269 HydrophobicContact CG2-SD 3.39Å; V259-M269 WeakPolarHBondContact CG2-SD 3.41Å; V267-M269 HydrophobicContact CG1-CG 4.03Å; V267-M269 HydrophobicContact CG1-SD 4.29Å; M269-G271 PolarHBondContact O-N 2.85Å; M269-G271 VanDerWaalsContact O-N 3.13Å; M269-Y290 HydrophobicContact CB-CD1 4.14Å; M269-Y290 HydrophobicContact CB-CD2 3.86Å; M269-Y290 HydrophobicContact CB-CE1 4.33Å; M269-Y290 HydrophobicContact CB-CE2 4.06Å; M269-Y290 HydrophobicContact CB-CG 3.88Å; M269-Y290 HydrophobicContact CG-CD2 3.83Å; M269-Y290 HydrophobicContact CG-CE2 3.94Å; M269-Y290 HydrophobicContact CG-CG 4.34Å; M269-Y290 HydrophobicContact SD-CD2 3.45Å; M269-Y290 WeakPolarHBondContact SD-CD2 3.44Å; M269-Y290 HydrophobicContact SD-CE2 4.05Å; M269-Y290 HydrophobicContact SD-CG 4.07Å; M269-F301 HydrophobicContact CE-CE1 3.83Å; M269-F301 HydrophobicContact CE-CE2 3.75Å; M269-F301 HydrophobicContact CE-CZ 3.19Å; M269-T302 WeakPolarHBondContact CA-O 3.28Å; M269-T302 WeakPolarHBondContact CB-O 3.15Å; M269-L303 HydrophobicContact CE-CB 4.3Å; M269-L303 HydrophobicContact CE-CD1 4.18Å; M269-L303 HydrophobicContact CG-CB 4.35Å; M269-L303 HydrophobicContact CG-CD1 3.48Å; M269-L303 VanDerWaalsContact CG-CD1 3.48Å; M269-L303 HydrophobicContact SD-CD1 3.8Å
270S94.3Very high91.6Very high0 Ų046.8 Ų46.80%026%0.257CS..SBendtrans-70.2101.2163.654.10000110.9W255 T300 F301 T302 P471W255-S270 PolarHBondContact NE1-O 3.26Å; S270-T300 WeakPolarHBondContact CB-O 3.33Å; S270-T300 PolarHBondContact OG-O 2.96Å; S270-F301 WeakPolarHBondContact OG-CA 3.33Å; S270-T302 PolarHBondContact N-O 2.86Å; S270-T302 VanDerWaalsContact N-O 3.07Å; S270-T302 PolarHBondContact OG-N 3.17Å; S270-P471 WeakPolarHBondContact CA-O 3.5Å; S270-P471 WeakPolarHBondContact CB-O 3.48Å
271G93.1Very high90.7Very high0 Ų048.5 Ų48.50%029%0.288CS..  trans-165.4148.8-176.900000113.3M269 E273 Y291 R453 H472M269-G271 PolarHBondContact O-N 2.85Å; M269-G271 VanDerWaalsContact O-N 3.13Å; G271-E273 PolarHBondContact O-N 3.34Å; G271-Y291 CarbonylContact C-O 3.14Å; G271-Y291 VanDerWaalsContact CA-O 3.3Å; G271-Y291 WeakPolarHBondContact CA-O 3.46Å; G271-R453 VanDerWaalsContact O-CZ 3.24Å; G271-R453 PolarHBondContact O-NE 3.26Å; G271-R453 VanDerWaalsContact O-NE 3.1Å; G271-R453 PolarHBondContact O-NH2 3.28Å; G271-H472 VanDerWaalsContact C-CG 3.48Å; G271-H472 PolarHBondContact N-ND1 3.16Å; G271-H472 VanDerWaalsContact O-CB 3.23Å; G271-H472 WeakPolarHBondContact O-CB 3.35Å; G271-H472 PolarHBondContact O-ND1 3.02Å
272E90.7Very high89.9Confident26 Ų2651.2 Ų51.212%0.12130%0.303CS..SBendtrans-66.3-41.8-168.9-77175.6-150.300114.3Y291 T293 P452 R453 H472E272-Y291 HydrophobicContact CB-CD2 4.43Å; E272-Y291 HydrophobicContact CB-CE2 3.87Å; E272-Y291 HydrophobicContact CG-CE2 4.4Å; E272-Y291 PolarHBondContact N-O 3.5Å; E272-Y291 WeakPolarHBondContact OE2-CE2 3.41Å; E272-T293 WeakPolarHBondContact OE1-CA 3.37Å; E272-T293 VanDerWaalsContact OE1-CB 3.3Å; E272-T293 WeakPolarHBondContact OE1-CB 3.3Å; E272-T293 PolarHBondContact OE1-N 3.04Å; E272-T293 PolarHBondContact OE1-OG1 3.48Å; E272-T293 PolarHBondContact OE2-OG1 3.17Å; E272-P452 HydrophobicContact CB-CG 4.17Å; E272-P452 HydrophobicContact CG-CG 4.2Å; E272-R453 WeakPolarHBondContact O-CD 3.42Å; E272-R453 WeakPolarHBondContact O-CG 3.42Å; E272-R453 PolarHBondContact O-NE 3.01Å; E272-H472 WeakPolarHBondContact CG-NE2 3.38Å
273E84Confident89.1Confident111 Ų11156 Ų5652%0.51933%0.332SS..SBendtrans-102.5157.6-175.1-70.5-67.3168.600112.9G271 A275 Y291 R453G271-E273 PolarHBondContact O-N 3.34Å; E273-A275 PolarHBondContact O-N 3.47Å; E273-Y291 HydrophobicContact CB-CE1 4.13Å; E273-Y291 HydrophobicContact CG-CE1 3.82Å; E273-Y291 WeakPolarHBondContact CG-OH 3.38Å; E273-R453 VanDerWaalsContact C-NE 3.3Å; E273-R453 PolarHBondContact O-NE 3.23Å; E273-R453 PolarHBondContact O-NH2 3.37Å
274E86Confident88.8Confident94 Ų9459.6 Ų59.644%0.43934%0.342SS..  trans-69.7110.1166.2171.5163.6-166.700109.1V276 R310 R416E274-V276 PolarHBondContact O-N 2.92Å; E274-R310 IonicContact OE1-NH1 3.02Å; E274-R416 IonicContact OE1-CZ 3.96Å; E274-R416 IonicContact OE1-NH1 3.8Å; E274-R416 PolarHBondContact OE1-NH1 3.03Å; E274-R416 IonicContact OE2-CZ 3.86Å; E274-R416 IonicContact OE2-NH1 3.4Å; E274-R416 PolarHBondContact OE2-NH1 3.38Å
275A85.5Confident88.8Confident14 Ų1456.8 Ų56.812%0.11633%0.325CS..PPolyproline II helixtrans-68.4124.4176.600000110.7E273 W288 N289 Y290E273-A275 PolarHBondContact O-N 3.47Å; A275-W288 HydrophobicContact CB-CB 4.1Å; A275-W288 HydrophobicContact CB-CG 4.47Å; A275-N289 WeakPolarHBondContact CB-O 3.16Å; A275-Y290 HydrophobicContact CB-CD1 4.11Å; A275-Y290 HydrophobicContact CB-CD2 3.94Å; A275-Y290 HydrophobicContact CB-CE1 3.63Å; A275-Y290 HydrophobicContact CB-CE2 3.44Å; A275-Y290 VanDerWaalsContact CB-CE2 3.44Å; A275-Y290 HydrophobicContact CB-CG 4.27Å
276V88.3Confident88.9Confident117 Ų11758.2 Ų58.271%0.70933%0.332SS*.PPolyproline II helixtrans-88.5123.5169.9-178.50000108.1E274 A278E274-V276 PolarHBondContact O-N 2.92Å; V276-A278 PolarHBondContact O-N 3.29Å
277P91.7Very high88.8Confident62 Ų6256.5 Ų56.540%0.40332%0.322SS..PPolyproline II helixtrans-62.8136.9176.522.6-30.2000111L286 T287 W288P277-L286 HydrophobicContact CB-CB 4.23Å; P277-L286 HydrophobicContact CB-CD1 4.03Å; P277-T287 WeakPolarHBondContact CA-O 3Å; P277-W288 HydrophobicContact CB-CD2 4.26Å; P277-W288 HydrophobicContact CB-CZ2 3.85Å
278A90.8Very high88.8Confident46 Ų4657.1 Ų57.138%0.3832%0.324SS..EExtended strand (participates in β ladder)trans-116145.817400000110.9V276 L286 T287V276-A278 PolarHBondContact O-N 3.29Å; A278-L286 WeakPolarHBondContact O-CA 3.45Å; A278-T287 PolarHBondContact N-O 3.43Å; A278-T287 PolarHBondContact O-N 3.41Å
279E87.2Confident88.7Confident178 Ų17861.3 Ų61.383%0.83235%0.347SS*.EExtended strand (participates in β ladder)trans-66.4135.8173-65-178177.600110.6L286E279-L286 HydrophobicContact CG-CD2 4.29Å
280D80.2Confident88.7Confident56 Ų5661.7 Ų61.730%0.29935%0.348SS..  trans-101.216-179.7-168.237000112.7R258 R260 D282R258-D280 IonicContact CZ-OD1 3.86Å; R258-D280 IonicContact NH2-OD1 3.41Å; R258-D280 PolarHBondContact NH2-OD1 3.29Å; R258-D280 IonicContact NH2-OD2 2.75Å; R260-D280 WeakPolarHBondContact CD-OD2 3.46Å; R260-D280 IonicContact CZ-OD2 2.64Å; R260-D280 IonicContact NE-OD2 3.95Å; R260-D280 PolarHBondContact NE-OD2 2.84Å; R260-D280 IonicContact NH2-OD2 3.18Å; D280-D282 PolarHBondContact O-N 2.89Å; D280-D282 VanDerWaalsContact O-N 3.15Å
281G76.9Confident88.8Confident81 Ų8163.6 Ų63.684%0.83536%0.356SS*.SBendtrans75.3-10.9-173.600000114.9
282D79.6Confident88.9Confident58 Ų5863.6 Ų63.631%0.3136%0.356SS..SBendtrans-101.7121.6167.3-177.3-12.4000108.9R260 D280 H284 F285R260-D282 IonicContact NH2-OD2 2.78Å; R260-D282 PolarHBondContact NH2-OD2 3.16Å; D280-D282 PolarHBondContact O-N 2.89Å; D280-D282 VanDerWaalsContact O-N 3.15Å; D282-H284 PolarHBondContact O-N 2.74Å; D282-H284 VanDerWaalsContact O-N 3.11Å; D282-H284 IonicContact OD1-CD2 2.74Å; D282-H284 IonicContact OD1-CG 3.62Å; D282-H284 PolarHBondContact OD1-N 2.97Å; D282-F285 PolarHBondContact O-N 3.33Å; D282-F285 VanDerWaalsContact O-O 3.05Å; D282-F285 WeakPolarHBondContact OD2-CD2 3.28Å
283T77.5Confident89Confident124 Ų12462.8 Ų62.876%0.76135%0.353SS*.THydrogen-bonded Turntrans-65.7-14.1-176.251.70000113.7
284H87.4Confident89.4Confident127 Ų12758.3 Ų58.359%0.58833%0.332SS*.THydrogen-bonded Turntrans-95-7.4-179.3-62.9-66.5000114P262 S263 D282P262-H284 CarbonylContact C-O 3.5Å; P262-H284 WeakPolarHBondContact CA-O 3.47Å; S263-H284 PolarHBondContact N-O 2.9Å; S263-H284 PolarHBondContact OG-O 2.99Å; D282-H284 PolarHBondContact O-N 2.74Å; D282-H284 VanDerWaalsContact O-N 3.11Å; D282-H284 IonicContact OD1-CD2 2.74Å; D282-H284 IonicContact OD1-CG 3.62Å; D282-H284 PolarHBondContact OD1-N 2.97Å
285F92.3Very high89.7Confident48 Ų4856.1 Ų56.121%0.21133%0.326CS..EExtended strand (participates in β ladder)trans-130.5145.3-177-73.3-93.7000111.6R260 A261 P262 D282R260-F285 HydrophobicContact CG-CB 4.13Å; R260-F285 HydrophobicContact CG-CD1 3.97Å; R260-F285 HydrophobicContact CG-CG 4.35Å; R260-F285 VanDerWaalsContact CZ-CG 3.47Å; A261-F285 VanDerWaalsContact C-CD1 3.44Å; A261-F285 WeakPolarHBondContact O-CA 3.19Å; A261-F285 WeakPolarHBondContact O-CD1 3.2Å; P262-F285 HydrophobicContact CG-CE1 4.21Å; D282-F285 PolarHBondContact O-N 3.33Å; D282-F285 VanDerWaalsContact O-O 3.05Å; D282-F285 WeakPolarHBondContact OD2-CD2 3.28Å
286L95.5Very high90.1Very high36 Ų3655.6 Ų55.619%0.18832%0.321CS..EExtended strand (participates in β ladder)trans-120.5159.7171-66173.6000109.5R260 A261 P277 A278 E279 W288R260-L286 WeakPolarHBondContact CA-O 3.41Å; A261-L286 PolarHBondContact N-O 3.37Å; A261-L286 VanDerWaalsContact N-O 3.09Å; A261-L286 PolarHBondContact O-N 3.37Å; P277-L286 HydrophobicContact CB-CB 4.23Å; P277-L286 HydrophobicContact CB-CD1 4.03Å; A278-L286 WeakPolarHBondContact O-CA 3.45Å; E279-L286 HydrophobicContact CG-CD2 4.29Å; L286-W288 VanDerWaalsContact C-CZ3 3.42Å; L286-W288 HydrophobicContact CB-CE3 4.19Å; L286-W288 HydrophobicContact CB-CH2 3.42Å; L286-W288 VanDerWaalsContact CB-CH2 3.42Å; L286-W288 HydrophobicContact CB-CZ2 4.11Å; L286-W288 HydrophobicContact CB-CZ3 3.45Å; L286-W288 VanDerWaalsContact CB-CZ3 3.45Å; L286-W288 HydrophobicContact CD1-CH2 4.12Å; L286-W288 HydrophobicContact CD1-CZ2 4.32Å; L286-W288 HydrophobicContact CG-CH2 4.36Å; L286-W288 WeakPolarHBondContact O-CZ3 3.44Å
287T95.2Very high90.3Very high6 Ų650.6 Ų50.64%0.03729%0.291CS..EExtended strand (participates in β ladder)trans-117.4132.6178-62.50000110.5R258 V259 P277 A278R258-T287 HydrophobicContact CG-CG2 3.4Å; R258-T287 VanDerWaalsContact NE-CG2 3.27Å; R258-T287 PolarHBondContact NH2-OG1 3.36Å; V259-T287 CarbonylContact O-C 3.55Å; V259-T287 WeakPolarHBondContact O-CA 3.26Å; P277-T287 WeakPolarHBondContact CA-O 3Å; A278-T287 PolarHBondContact N-O 3.43Å; A278-T287 PolarHBondContact O-N 3.41Å
288W96.1Very high90.4Very high13 Ų1347.9 Ų47.95%0.04927%0.274CS..EExtended strand (participates in β ladder)trans-114.1139.6171.4-67.6-105000110.2R258 V259 A261 C265 V267 A275 P277 L286 Y290R258-W288 CarbonylContact C-O 3.57Å; R258-W288 WeakPolarHBondContact CA-O 3.45Å; V259-W288 PolarHBondContact N-O 3.41Å; V259-W288 PolarHBondContact O-N 3.41Å; A261-W288 HydrophobicContact CB-CE3 4.49Å; A261-W288 HydrophobicContact CB-CZ3 3.85Å; C265-W288 WeakPolarHBondContact O-CH2 3.37Å; C265-W288 WeakPolarHBondContact O-CZ2 3.41Å; V267-W288 HydrophobicContact CB-CB 4.11Å; V267-W288 HydrophobicContact CB-CD2 3.73Å; V267-W288 HydrophobicContact CB-CE3 4.09Å; V267-W288 HydrophobicContact CB-CG 3.74Å; V267-W288 HydrophobicContact CG1-CB 4.28Å; V267-W288 HydrophobicContact CG1-CG 4.44Å; V267-W288 HydrophobicContact CG2-CD2 3.54Å; V267-W288 HydrophobicContact CG2-CE3 3.36Å; V267-W288 HydrophobicContact CG2-CG 4.06Å; V267-W288 HydrophobicContact CG2-CH2 4.16Å; V267-W288 HydrophobicContact CG2-CZ2 4.34Å; V267-W288 HydrophobicContact CG2-CZ3 3.7Å; A275-W288 HydrophobicContact CB-CB 4.1Å; A275-W288 HydrophobicContact CB-CG 4.47Å; P277-W288 HydrophobicContact CB-CD2 4.26Å; P277-W288 HydrophobicContact CB-CZ2 3.85Å; L286-W288 VanDerWaalsContact C-CZ3 3.42Å; L286-W288 HydrophobicContact CB-CE3 4.19Å; L286-W288 HydrophobicContact CB-CH2 3.42Å; L286-W288 VanDerWaalsContact CB-CH2 3.42Å; L286-W288 HydrophobicContact CB-CZ2 4.11Å; L286-W288 HydrophobicContact CB-CZ3 3.45Å; L286-W288 VanDerWaalsContact CB-CZ3 3.45Å; L286-W288 HydrophobicContact CD1-CH2 4.12Å; L286-W288 HydrophobicContact CD1-CZ2 4.32Å; L286-W288 HydrophobicContact CG-CH2 4.36Å; L286-W288 WeakPolarHBondContact O-CZ3 3.44Å; W288-Y290 HydrophobicContact CB-CD2 4.36Å; W288-Y290 HydrophobicContact CB-CE2 3.9Å
289N95.2Very high90.4Very high91 Ų9146 Ų4649%0.48726%0.258SS..EExtended strand (participates in β ladder)trans-118.8124.5178.1-61-77.6000109.8A257 A275A257-N289 CarbonylContact O-C 3.6Å; A257-N289 WeakPolarHBondContact O-CA 3.41Å; A275-N289 WeakPolarHBondContact CB-O 3.16Å
290Y95.8Very high90.7Very high8 Ų837.8 Ų37.83%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-123.3156.3176.9-72.7-85.2000110.6Q256 A257 V267 M269 A275 W288Q256-Y290 CarbonylContact C-O 3.57Å; Q256-Y290 VanDerWaalsContact CA-O 3.26Å; Q256-Y290 WeakPolarHBondContact CA-O 3.38Å; A257-Y290 PolarHBondContact N-O 2.99Å; A257-Y290 PolarHBondContact O-N 3.17Å; V267-Y290 HydrophobicContact CG1-CE2 4.04Å; V267-Y290 PolarHBondContact O-OH 3.4Å; M269-Y290 HydrophobicContact CB-CD1 4.14Å; M269-Y290 HydrophobicContact CB-CD2 3.86Å; M269-Y290 HydrophobicContact CB-CE1 4.33Å; M269-Y290 HydrophobicContact CB-CE2 4.06Å; M269-Y290 HydrophobicContact CB-CG 3.88Å; M269-Y290 HydrophobicContact CG-CD2 3.83Å; M269-Y290 HydrophobicContact CG-CE2 3.94Å; M269-Y290 HydrophobicContact CG-CG 4.34Å; M269-Y290 HydrophobicContact SD-CD2 3.45Å; M269-Y290 WeakPolarHBondContact SD-CD2 3.44Å; M269-Y290 HydrophobicContact SD-CE2 4.05Å; M269-Y290 HydrophobicContact SD-CG 4.07Å; A275-Y290 HydrophobicContact CB-CD1 4.11Å; A275-Y290 HydrophobicContact CB-CD2 3.94Å; A275-Y290 HydrophobicContact CB-CE1 3.63Å; A275-Y290 HydrophobicContact CB-CE2 3.44Å; A275-Y290 VanDerWaalsContact CB-CE2 3.44Å; A275-Y290 HydrophobicContact CB-CG 4.27Å; W288-Y290 HydrophobicContact CB-CD2 4.36Å; W288-Y290 HydrophobicContact CB-CE2 3.9Å
291Y95.4Very high91.4Very high39 Ų3935.3 Ų35.315%0.15321%0.206CC..EExtended strand (participates in β ladder)trans-151.4159.7173.368.5-93.6000111.5W157 H161 W255 G271 E272 E273 T293W157-Y291 HydrophobicContact CE3-CD2 4.5Å; W157-Y291 HydrophobicContact CE3-CE2 4.16Å; W157-Y291 HydrophobicContact CH2-CE1 4.02Å; W157-Y291 AromaticContact CH2-CE2 3.6Å; W157-Y291 HydrophobicContact CH2-CE2 3.6Å; W157-Y291 AromaticContact CH2-CZ 3.29Å; W157-Y291 WeakPolarHBondContact CH2-OH 3.39Å; W157-Y291 HydrophobicContact CZ2-CE2 4.32Å; W157-Y291 AromaticContact CZ3-CD2 3.99Å; W157-Y291 HydrophobicContact CZ3-CD2 3.99Å; W157-Y291 HydrophobicContact CZ3-CE1 4.08Å; W157-Y291 AromaticContact CZ3-CE2 3.48Å; W157-Y291 HydrophobicContact CZ3-CE2 3.48Å; W157-Y291 VanDerWaalsContact CZ3-CE2 3.48Å; W157-Y291 HydrophobicContact CZ3-CG 4.48Å; W157-Y291 AromaticContact CZ3-CZ 3.54Å; H161-Y291 AromaticContact CE1-CD2 3.65Å; H161-Y291 AromaticContact CE1-CG 3.93Å; H161-Y291 AromaticContact ND1-CD2 3.89Å; H161-Y291 AromaticContact ND1-CG 3.85Å; W255-Y291 CarbonylContact O-C 3.58Å; W255-Y291 VanDerWaalsContact O-CA 3.26Å; W255-Y291 WeakPolarHBondContact O-CA 3.46Å; G271-Y291 CarbonylContact C-O 3.14Å; G271-Y291 VanDerWaalsContact CA-O 3.3Å; G271-Y291 WeakPolarHBondContact CA-O 3.46Å; E272-Y291 HydrophobicContact CB-CD2 4.43Å; E272-Y291 HydrophobicContact CB-CE2 3.87Å; E272-Y291 HydrophobicContact CG-CE2 4.4Å; E272-Y291 PolarHBondContact N-O 3.5Å; E272-Y291 WeakPolarHBondContact OE2-CE2 3.41Å; E273-Y291 HydrophobicContact CB-CE1 4.13Å; E273-Y291 HydrophobicContact CG-CE1 3.82Å; E273-Y291 WeakPolarHBondContact CG-OH 3.38Å; Y291-T293 HydrophobicContact CD2-CG2 3.81Å; Y291-T293 HydrophobicContact CE2-CG2 3.78Å
292V94.9Very high92.3Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-136.1127.6169.8175.60000108.8T254 W255 M294 M296T254-V292 WeakPolarHBondContact CB-O 3.46Å; W255-V292 HydrophobicContact CD2-CB 3.96Å; W255-V292 HydrophobicContact CD2-CG2 4.25Å; W255-V292 VanDerWaalsContact CE2-CG2 3.41Å; W255-V292 HydrophobicContact CE3-CB 4.32Å; W255-V292 HydrophobicContact CH2-CB 4.09Å; W255-V292 HydrophobicContact CH2-CG1 4Å; W255-V292 HydrophobicContact CH2-CG2 4.1Å; W255-V292 HydrophobicContact CZ2-CB 3.74Å; W255-V292 HydrophobicContact CZ2-CG1 4.1Å; W255-V292 HydrophobicContact CZ2-CG2 3.35Å; W255-V292 HydrophobicContact CZ3-CB 4.38Å; W255-V292 HydrophobicContact CZ3-CG1 4.3Å; W255-V292 PolarHBondContact N-O 3.11Å; W255-V292 PolarHBondContact O-N 3.21Å; V292-M294 VanDerWaalsContact CG1-O 3.3Å; V292-M294 WeakPolarHBondContact CG1-O 3.45Å; V292-M296 HydrophobicContact CG1-CE 3.72Å; V292-M296 HydrophobicContact CG1-SD 4.34Å
293T93.4Very high93.1Very high10 Ų1028.9 Ų28.96%0.06115%0.153CC..EExtended strand (participates in β ladder)trans-95.1-22.9-176.565.60000113.3W157 T254 E272 Y291 P399W157-T293 HydrophobicContact CB-CG2 4.2Å; W157-T293 HydrophobicContact CD2-CG2 3.77Å; W157-T293 HydrophobicContact CE3-CG2 3.74Å; W157-T293 HydrophobicContact CG-CG2 3.99Å; W157-T293 HydrophobicContact CZ3-CG2 4.41Å; T254-T293 VanDerWaalsContact CG2-O 3.22Å; T254-T293 WeakPolarHBondContact CG2-O 3.44Å; E272-T293 WeakPolarHBondContact OE1-CA 3.37Å; E272-T293 VanDerWaalsContact OE1-CB 3.3Å; E272-T293 WeakPolarHBondContact OE1-CB 3.3Å; E272-T293 PolarHBondContact OE1-N 3.04Å; E272-T293 PolarHBondContact OE1-OG1 3.48Å; E272-T293 PolarHBondContact OE2-OG1 3.17Å; Y291-T293 HydrophobicContact CD2-CG2 3.81Å; Y291-T293 HydrophobicContact CE2-CG2 3.78Å; T293-P399 HydrophobicContact CG2-CG 4.44Å; T293-P399 WeakPolarHBondContact OG1-CD 3.45Å
294M92.6Very high94Very high17 Ų1723 Ų238%0.08412%0.117CC..EExtended strand (participates in β ladder)trans-80.7126.4172.2178.1-179.7-700109.6V292 M296 Y398 F451 V512V292-M294 VanDerWaalsContact CG1-O 3.3Å; V292-M294 WeakPolarHBondContact CG1-O 3.45Å; M294-M296 HydrophobicContact CB-CE 3.76Å; M294-M296 HydrophobicContact CE-CE 3.64Å; M294-M296 HydrophobicContact CG-CE 3.87Å; M294-M296 HydrophobicContact CG-CG 4.34Å; M294-M296 PolarHBondContact O-N 2.85Å; M294-M296 HydrophobicContact SD-CE 3.75Å; M294-Y398 HydrophobicContact CB-CD2 3.95Å; M294-Y398 HydrophobicContact CB-CE2 4.29Å; M294-Y398 HydrophobicContact CB-CG 4.24Å; M294-Y398 HydrophobicContact CE-CE2 4.31Å; M294-Y398 HydrophobicContact CG-CD1 4.29Å; M294-Y398 HydrophobicContact CG-CD2 4Å; M294-Y398 HydrophobicContact CG-CE1 4.2Å; M294-Y398 HydrophobicContact CG-CE2 3.93Å; M294-Y398 HydrophobicContact CG-CG 4.2Å; M294-Y398 HydrophobicContact SD-CE2 4.05Å; M294-F451 HydrophobicContact CE-CD1 4.11Å; M294-F451 HydrophobicContact CE-CE1 3.66Å; M294-V512 HydrophobicContact CE-CG2 4.13Å; M294-V512 HydrophobicContact SD-CG2 3.95Å
295P93.3Very high94.5Very high47 Ų4716.9 Ų16.931%0.3059%0.089SC..EExtended strand (participates in β ladder)trans-61.2129173.8-21.532.2000111.1M252 S253 T254M252-P295 HydrophobicContact CB-CB 3.97Å; S253-P295 WeakPolarHBondContact O-CA 3.3Å; T254-P295 HydrophobicContact CG2-CB 4.49Å; T254-P295 HydrophobicContact CG2-CG 4.07Å
296M92.6Very high94.8Very high4 Ų414.6 Ų14.62%0.028%0.078CC..EExtended strand (participates in β ladder)trans-140161.3176.8-52.4-179-166.500111.6M252 S253 W255 V292 M294 T300 F451 P471M252-M296 WeakPolarHBondContact CA-O 3.45Å; S253-M296 PolarHBondContact N-O 2.91Å; S253-M296 PolarHBondContact O-N 3.13Å; W255-M296 HydrophobicContact CH2-CB 3.95Å; W255-M296 HydrophobicContact CH2-CG 4.29Å; W255-M296 HydrophobicContact CH2-SD 3.98Å; W255-M296 HydrophobicContact CZ3-CB 3.82Å; W255-M296 HydrophobicContact CZ3-CG 4.39Å; V292-M296 HydrophobicContact CG1-CE 3.72Å; V292-M296 HydrophobicContact CG1-SD 4.34Å; M294-M296 HydrophobicContact CB-CE 3.76Å; M294-M296 HydrophobicContact CE-CE 3.64Å; M294-M296 HydrophobicContact CG-CE 3.87Å; M294-M296 HydrophobicContact CG-CG 4.34Å; M294-M296 PolarHBondContact O-N 2.85Å; M294-M296 HydrophobicContact SD-CE 3.75Å; M296-T300 HydrophobicContact CB-CG2 4.26Å; M296-T300 WeakPolarHBondContact CB-OG1 3.48Å; M296-F451 HydrophobicContact CE-CD1 4.4Å; M296-F451 HydrophobicContact CE-CE1 3.49Å; M296-F451 VanDerWaalsContact CE-CE1 3.49Å; M296-F451 HydrophobicContact CE-CZ 4.19Å; M296-F451 HydrophobicContact SD-CE1 4.5Å; M296-P471 HydrophobicContact CE-CB 4.05Å; M296-P471 HydrophobicContact CE-CG 4.12Å; M296-P471 HydrophobicContact SD-CB 3.81Å; M296-P471 HydrophobicContact SD-CG 3.23Å; M296-P471 WeakPolarHBondContact SD-CG 3.47Å
297P92.9Very high94.8Very high11 Ų1114.5 Ų14.57%0.0718%0.077CC..  trans-61.7151.3173.5-22.534.3000112.5M252 S299 T300 L643M252-P297 HydrophobicContact CG-CG 4.37Å; P297-S299 PolarHBondContact O-N 2.97Å; P297-S299 VanDerWaalsContact O-N 3.15Å; P297-T300 WeakPolarHBondContact O-CB 3.5Å; P297-T300 PolarHBondContact O-N 3.33Å; P297-T300 VanDerWaalsContact O-N 3.08Å; P297-T300 PolarHBondContact O-OG1 3.19Å; P297-L643 HydrophobicContact CG-CD2 4.46Å
298A93.1Very high94.8Very high5 Ų514.7 Ų14.74%0.0418%0.077CC..G310 helixtrans-57.1-30.8179.300000113.1N239 F243 C245 T300 F301N239-A298 PolarHBondContact ND2-O 3.33Å; F243-A298 HydrophobicContact CZ-CB 4.33Å; C245-A298 HydrophobicContact CB-CB 4.04Å; A298-T300 PolarHBondContact O-N 3.44Å; A298-T300 VanDerWaalsContact O-N 3.14Å; A298-F301 VanDerWaalsContact O-CB 3.29Å; A298-F301 WeakPolarHBondContact O-CB 3.4Å; A298-F301 PolarHBondContact O-N 2.87Å
299S90.9Very high94.8Very high7 Ų716.6 Ų16.65%0.0499%0.092CC..G310 helixtrans-59.4-20176.860.90000115.1P236 P297 F301 W518P236-S299 WeakPolarHBondContact O-CB 3.4Å; P297-S299 PolarHBondContact O-N 2.97Å; P297-S299 VanDerWaalsContact O-N 3.15Å; S299-F301 VanDerWaalsContact C-N 3.32Å; S299-W518 VanDerWaalsContact OG-CH2 3.22Å; S299-W518 WeakPolarHBondContact OG-CH2 3.32Å; S299-W518 WeakPolarHBondContact OG-CZ2 3.33Å
300T93.4Very high94.9Very high6 Ų618.7 Ų18.74%0.0379%0.093CC..G310 helixtrans-83.8-7177.567.50000113.5W255 S270 M296 P297 A298 T302 P471 L511W255-T300 VanDerWaalsContact CH2-OG1 3.28Å; W255-T300 WeakPolarHBondContact CH2-OG1 3.2Å; S270-T300 WeakPolarHBondContact CB-O 3.33Å; S270-T300 PolarHBondContact OG-O 2.96Å; M296-T300 HydrophobicContact CB-CG2 4.26Å; M296-T300 WeakPolarHBondContact CB-OG1 3.48Å; P297-T300 WeakPolarHBondContact O-CB 3.5Å; P297-T300 PolarHBondContact O-N 3.33Å; P297-T300 VanDerWaalsContact O-N 3.08Å; P297-T300 PolarHBondContact O-OG1 3.19Å; A298-T300 PolarHBondContact O-N 3.44Å; A298-T300 VanDerWaalsContact O-N 3.14Å; T300-T302 PolarHBondContact O-N 3.28Å; T300-P471 HydrophobicContact CG2-CG 4.45Å; T300-P471 VanDerWaalsContact O-CD 3.32Å; T300-P471 WeakPolarHBondContact O-CD 3.02Å; T300-L511 HydrophobicContact CG2-CD2 4.01Å
301F95Very high94.9Very high4 Ų418.5 Ų18.52%0.0189%0.092CC..  trans-71125.4173.5-173.2-79.1000110.2L30 L32 N239 L242 F243 W255 A257 M269 S270 A298 S299 L303L30-F301 HydrophobicContact CD1-CE2 4Å; L30-F301 HydrophobicContact CD2-CE2 3.98Å; L30-F301 HydrophobicContact CD2-CZ 3.92Å; L32-F301 HydrophobicContact CD1-CZ 4.36Å; N239-F301 PolarHBondContact ND2-O 2.88Å; L242-F301 HydrophobicContact CD2-CD1 3.61Å; L242-F301 HydrophobicContact CD2-CE1 3.53Å; F243-F301 HydrophobicContact CE1-CB 4.1Å; F243-F301 HydrophobicContact CE1-CD1 4.01Å; F243-F301 HydrophobicContact CE1-CD2 4.32Å; F243-F301 AromaticContact CE1-CG 3.89Å; F243-F301 HydrophobicContact CE1-CG 3.89Å; F243-F301 HydrophobicContact CZ-CB 4.33Å; F243-F301 HydrophobicContact CZ-CG 4.37Å; W255-F301 AromaticContact CD1-CD2 3.98Å; W255-F301 HydrophobicContact CD2-CD2 4.45Å; W255-F301 HydrophobicContact CG-CD2 4.3Å; W255-F301 AromaticContact NE1-CD2 3.94Å; A257-F301 HydrophobicContact CB-CE2 4.35Å; M269-F301 HydrophobicContact CE-CE1 3.83Å; M269-F301 HydrophobicContact CE-CE2 3.75Å; M269-F301 HydrophobicContact CE-CZ 3.19Å; S270-F301 WeakPolarHBondContact OG-CA 3.33Å; A298-F301 VanDerWaalsContact O-CB 3.29Å; A298-F301 WeakPolarHBondContact O-CB 3.4Å; A298-F301 PolarHBondContact O-N 2.87Å; S299-F301 VanDerWaalsContact C-N 3.32Å; F301-L303 HydrophobicContact CE1-CB 4.24Å
302T95.5Very high94.7Very high1 Ų119.4 Ų19.41%0.00610%0.103CC..  trans-136.7141179-73.80000110.7T232 M269 S270 T300 M468 S470 I473 F475T232-T302 VanDerWaalsContact OG1-CA 3.32Å; T232-T302 WeakPolarHBondContact OG1-CA 3.32Å; M269-T302 WeakPolarHBondContact CA-O 3.28Å; M269-T302 WeakPolarHBondContact CB-O 3.15Å; S270-T302 PolarHBondContact N-O 2.86Å; S270-T302 VanDerWaalsContact N-O 3.07Å; S270-T302 PolarHBondContact OG-N 3.17Å; T300-T302 PolarHBondContact O-N 3.28Å; T302-M468 HydrophobicContact CG2-CE 4.37Å; T302-S470 PolarHBondContact OG1-OG 3.45Å; T302-I473 HydrophobicContact CG2-CG2 4.24Å; T302-F475 HydrophobicContact CG2-CE1 3.86Å; T302-F475 HydrophobicContact CG2-CE2 3.61Å; T302-F475 HydrophobicContact CG2-CZ 3.22Å
303L96.6Very high94Very high2 Ų225 Ų251%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-137.7137.5177.5171.365.3000110.1L32 I41 Y231 T232 V259 V267 L268 M269 F301 V305L32-L303 HydrophobicContact CD1-CD2 4.29Å; I41-L303 HydrophobicContact CD1-CD2 4.01Å; Y231-L303 CarbonylContact C-O 3.52Å; Y231-L303 VanDerWaalsContact CA-O 3.25Å; Y231-L303 WeakPolarHBondContact CA-O 3.39Å; T232-L303 HydrophobicContact CG2-CB 3.88Å; T232-L303 PolarHBondContact N-O 3.27Å; T232-L303 PolarHBondContact OG1-N 2.9Å; T232-L303 PolarHBondContact OG1-O 3.28Å; V259-L303 HydrophobicContact CG1-CD1 4.27Å; V259-L303 HydrophobicContact CG2-CD1 4.25Å; V267-L303 HydrophobicContact CG1-CD1 3.78Å; L268-L303 CarbonylContact O-C 3.47Å; M269-L303 HydrophobicContact CE-CB 4.3Å; M269-L303 HydrophobicContact CE-CD1 4.18Å; M269-L303 HydrophobicContact CG-CB 4.35Å; M269-L303 HydrophobicContact CG-CD1 3.48Å; M269-L303 VanDerWaalsContact CG-CD1 3.48Å; M269-L303 HydrophobicContact SD-CD1 3.8Å; F301-L303 HydrophobicContact CE1-CB 4.24Å; L303-V305 HydrophobicContact CD1-CG2 3.76Å; L303-V305 HydrophobicContact CG-CG2 4.2Å
304A97.6Very high92.9Very high0 Ų032 Ų320%017%0.17CC..EExtended strand (participates in β ladder)trans-136.7135166.600000110.2V230 V267 L268 W308 L457 F475V230-A304 CarbonylContact O-C 3.51Å; V230-A304 VanDerWaalsContact O-CA 3.32Å; V230-A304 WeakPolarHBondContact O-CA 3.43Å; V267-A304 WeakPolarHBondContact CA-O 3.48Å; L268-A304 PolarHBondContact N-O 3.02Å; L268-A304 PolarHBondContact O-N 3.05Å; A304-W308 HydrophobicContact CB-CH2 3.76Å; A304-W308 HydrophobicContact CB-CZ3 3.87Å; A304-L457 HydrophobicContact CB-CD2 3.53Å; A304-F475 HydrophobicContact CB-CE1 4.14Å; A304-F475 HydrophobicContact CB-CZ 3.71Å
305V97.9Very high91Very high0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-133.9126.9176.8-1740000109.7V34 F36 C229 V230 A261 C265 V266 V267 L303 W308V34-V305 HydrophobicContact CG1-CB 4.43Å; V34-V305 HydrophobicContact CG1-CG1 4.41Å; V34-V305 HydrophobicContact CG2-CG2 4.01Å; F36-V305 HydrophobicContact CE2-CG1 4.15Å; F36-V305 HydrophobicContact CZ-CB 4.47Å; F36-V305 HydrophobicContact CZ-CG1 4.08Å; C229-V305 CarbonylContact C-O 3.55Å; C229-V305 WeakPolarHBondContact CA-O 3.29Å; V230-V305 HydrophobicContact CG1-CB 3.83Å; V230-V305 HydrophobicContact CG1-CG2 4.44Å; V230-V305 PolarHBondContact N-O 2.83Å; V230-V305 PolarHBondContact O-N 3.47Å; A261-V305 HydrophobicContact CB-CG1 3.64Å; C265-V305 HydrophobicContact CB-CG1 3.97Å; V266-V305 WeakPolarHBondContact O-CA 3.47Å; V267-V305 HydrophobicContact CB-CG2 4.49Å; V267-V305 HydrophobicContact CG1-CG2 4.28Å; V267-V305 HydrophobicContact CG2-CG1 4.22Å; V267-V305 HydrophobicContact CG2-CG2 3.97Å; L303-V305 HydrophobicContact CD1-CG2 3.76Å; L303-V305 HydrophobicContact CG-CG2 4.2Å; V305-W308 WeakPolarHBondContact O-CH2 3.06Å
306G97.3Very high88.4Confident0 Ų038.3 Ų38.30%021%0.21CC..EExtended strand (participates in β ladder)trans173.3-173.1-174.200000113.3C265 V266 W308C265-G306 WeakPolarHBondContact CA-O 3.4Å; V266-G306 PolarHBondContact N-O 2.76Å; V266-G306 PolarHBondContact O-N 2.93Å; G306-W308 VanDerWaalsContact CA-CZ3 3.48Å; G306-W308 PolarHBondContact O-N 3.21Å
307H95.9Very high85.4Confident34 Ų3443.5 Ų43.516%0.15725%0.246CC..  trans-97.654.6-169.4-62.288.9000112.7R227 E228 D264R227-H307 HydrophobicContact CB-CB 4.19Å; R227-H307 VanDerWaalsContact CD-CB 3.45Å; R227-H307 HydrophobicContact CG-CB 4.5Å; E228-H307 PolarHBondContact O-ND1 3.3Å; E228-H307 VanDerWaalsContact O-ND1 3.16Å; D264-H307 PolarHBondContact O-CD2 3.02Å; D264-H307 IonicContact OD1-NE2 2.87Å; D264-H307 IonicContact OD2-NE2 3.92Å; D264-H307 PolarHBondContact OD2-NE2 3.28Å
308W96.3Very high82.7Confident9 Ų947.1 Ų47.13%0.03428%0.277CS..PPolyproline II helixtrans-90.8146.3-176.9-57.1-68.9000113.3C229 A304 V305 G306 F418 L457C229-W308 HydrophobicContact CB-CH2 4.03Å; C229-W308 HydrophobicContact CB-CZ2 3.7Å; A304-W308 HydrophobicContact CB-CH2 3.76Å; A304-W308 HydrophobicContact CB-CZ3 3.87Å; V305-W308 WeakPolarHBondContact O-CH2 3.06Å; G306-W308 VanDerWaalsContact CA-CZ3 3.48Å; G306-W308 PolarHBondContact O-N 3.21Å; W308-F418 HydrophobicContact CB-CB 4.23Å; W308-L457 HydrophobicContact CB-CD1 4.34Å; W308-L457 HydrophobicContact CD2-CD1 3.63Å; W308-L457 HydrophobicContact CE3-CD1 4.18Å; W308-L457 HydrophobicContact CG-CD1 3.67Å; W308-L457 HydrophobicContact CH2-CD2 4.2Å; W308-L457 HydrophobicContact CZ2-CD1 4.46Å; W308-L457 HydrophobicContact CZ2-CD2 4.19Å; W308-L457 HydrophobicContact CZ3-CD2 4.34Å
309C96.1Very high79.8Confident53 Ų5354.6 Ų54.636%0.35832%0.316SS..EExtended strand (participates in β ladder)trans-98.1138173.2-66.30000109.8V311 F418 S419 L424C309-V311 PolarHBondContact O-N 2.91Å; C309-F418 WeakPolarHBondContact O-CA 3.42Å; C309-S419 PolarHBondContact N-O 3Å; C309-S419 PolarHBondContact O-N 3.27Å; C309-L424 HydrophobicContact CB-CD1 4.07Å; C309-L424 HydrophobicContact CB-CD2 3.8Å; C309-L424 HydrophobicContact CB-CG 4.28Å
310R96.3Very high76.9Confident135 Ų13563 Ų6351%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-67.9126.9165.8-178.4176.9175.1166.6-0.2108.6E274 F418E274-R310 IonicContact OE1-NH1 3.02Å; R310-F418 HydrophobicContact CB-CD1 4.19Å; R310-F418 HydrophobicContact CB-CE1 3.9Å; R310-F418 HydrophobicContact CG-CE1 4.41Å
311V95.3Very high73.8Confident4 Ų469 Ų692%0.02439%0.387CS..PPolyproline II helixtrans-67.5125.6178.6-177.40000109.3C309 V417 L424 A427 Q428 L432C309-V311 PolarHBondContact O-N 2.91Å; V311-V417 HydrophobicContact CB-CB 4.11Å; V311-V417 HydrophobicContact CB-CG1 4.44Å; V311-V417 HydrophobicContact CG2-CB 3.9Å; V311-V417 HydrophobicContact CG2-CG1 3.73Å; V311-V417 WeakPolarHBondContact CG2-O 3.3Å; V311-V417 PolarHBondContact N-O 3.14Å; V311-L424 HydrophobicContact CB-CD2 4.45Å; V311-L424 HydrophobicContact CG2-CD2 4.01Å; V311-A427 HydrophobicContact CG2-CB 3.81Å; V311-Q428 HydrophobicContact CG1-CB 3.55Å; V311-Q428 HydrophobicContact CG1-CG 3.96Å; V311-L432 HydrophobicContact CB-CD2 4.28Å; V311-L432 HydrophobicContact CG1-CB 4.35Å; V311-L432 HydrophobicContact CG1-CD2 3.76Å
312P91.3Very high70.6Confident58 Ų5877.4 Ų77.438%0.37743%0.426SS..PPolyproline II helixtrans-71.1143.1-177.228.3-34.1000111.5E314 Q428 L432P312-E314 VanDerWaalsContact C-N 3.34Å; P312-Q428 PolarHBondContact O-NE2 3.02Å; P312-L432 WeakPolarHBondContact O-CD2 3.48Å
313T81.5Confident67.4Low117 Ų11783.8 Ų83.872%0.71846%0.464SS*.SBendtrans-74.6-26.8174.447.40000112.4L432T313-L432 HydrophobicContact CG2-CD2 4.48Å
314E69.5Low64.1Low159 Ų15993 Ų9374%0.74351%0.507SS*.SBendtrans-92.1138.3177-64.4-178.8-177.800110.5P312 P316 Q428P312-E314 VanDerWaalsContact C-N 3.34Å; E314-P316 WeakPolarHBondContact O-CD 2.87Å; E314-Q428 PolarHBondContact O-NE2 2.7Å
315T53.1Low60.6Low93 Ų9396.8 Ų96.857%0.57155%0.546SS*.PPolyproline II helixtrans-78.7122.9170.6-28.60000106.3S317T315-S317 PolarHBondContact O-N 3.21Å; T315-S317 VanDerWaalsContact O-N 3.07Å
316P37.3Very low57.2Low102 Ų102100.3 Ų100.366%0.66258%0.583SS**PPolyproline II helixtrans-55.6123170.3-18.929.7000107.5E314 A318E314-P316 WeakPolarHBondContact O-CD 2.87Å; P316-A318 PolarHBondContact O-N 3.27Å
317S30.6Very low53.8Low113 Ų113107.9 Ų107.979%0.7963%0.629SS**  trans-64.891.8169.556.90000107.1T315 L319T315-S317 PolarHBondContact O-N 3.21Å; T315-S317 VanDerWaalsContact O-N 3.07Å; S317-L319 PolarHBondContact O-N 3.21Å
318A35.6Very low50.4Low87 Ų87109.4 Ų109.472%0.71965%0.654SS**  trans-61.6128.117100000107.5P316 E320P316-A318 PolarHBondContact O-N 3.27Å; A318-E320 PolarHBondContact O-N 3.46Å
319L32.6Very low47.1Very low163 Ų163115.3 Ų115.385%0.85370%0.695SS**  trans-42.5103.6170.7-83.479.7000110.3S317 N321S317-L319 PolarHBondContact O-N 3.21Å; L319-N321 VanDerWaalsContact C-N 3.27Å; L319-N321 PolarHBondContact O-N 3.44Å
320E31Very low43.7Very low182 Ų182117.8 Ų117.885%0.8571%0.713SS**  trans-73.693.8141.9-73.2-178164.200105.5A318A318-E320 PolarHBondContact O-N 3.46Å
321N27.8Very low40.2Very low134 Ų134116.9 Ų116.972%0.71773%0.726SS**  trans173.9128.8140.8-83.7-28.3000111.9L319L319-N321 VanDerWaalsContact C-N 3.27Å; L319-N321 PolarHBondContact O-N 3.44Å
322E27.5Very low36.9Very low179 Ų179125.1 Ų125.184%0.83677%0.769SS**  trans81.3104.6157.4-61.9-177.5-177.500117.8
323V28.9Very low33.7Very low135 Ų135131.5 Ų131.582%0.81879%0.791SS**  104.5134.369.8163.10000110.6
324E27.8Very low31.1Very low195 Ų195130.6 Ų130.691%0.91180%0.795SS**  trans-20132.6177.6-64.1176.4142.500119
325G23.6Very low28.9Very low80 Ų80131.3 Ų131.383%0.82580%0.799SS**  trans161.8115.7159.600000112.5
326G25.3Very low27.5Very low75 Ų75135.5 Ų135.577%0.77382%0.817SS**  trans-76.4169.7-170.700000117.1
327V27.2Very low27Very low158 Ų158136.6 Ų136.696%0.95882%0.821SS**  trans76.6122.4161.4-167.50000117.1
328G24.1Very low26.6Very low67 Ų67136.1 Ų136.169%0.69182%0.818SS**  trans12892148.800000115
329C27.5Very low26Very low132 Ų132140.4 Ų140.489%0.89282%0.823SS**  trans-66.2124.4162.3-173.50000109.5
330S24Very low25.6Very low106 Ų106140.6 Ų140.674%0.74182%0.824SS**  trans-146114.3162.565.10000110.6L332S330-L332 PolarHBondContact O-N 2.88Å
331C23.8Very low25.2Very low116 Ų116136 Ų13678%0.78482%0.817SS**  trans-50.8128.7171.1-60.90000111.6K333C331-K333 PolarHBondContact O-N 3.19Å
332L24.4Very low25Very low176 Ų176139 Ų13992%0.92182%0.823SS**  trans-79.6105.7166.3-75.7168.1000108.8S330S330-L332 PolarHBondContact O-N 2.88Å
333K24.7Very low24.9Very low192 Ų192135.9 Ų135.984%0.83582%0.822SS**  trans-64.8134.2164-78.6-178.6171.9-175.20109.6C331C331-K333 PolarHBondContact O-N 3.19Å
334A26.4Very low25.2Very low98 Ų98135.4 Ų135.481%0.8182%0.821SS**  trans-72.1124.6158.500000109
335E24.9Very low24.9Very low174 Ų174129.8 Ų129.881%0.81382%0.816SS**  trans-166.3113.4158-113.1173.1-159.700108.3
336L22.5Very low24.8Very low181 Ų181135.7 Ų135.795%0.94882%0.822SS**  trans-161.1104.8138-121.9125.5000110.1
337V26.1Very low24.7Very low126 Ų126137.9 Ų137.976%0.76482%0.82SS**  trans-86.8148.6166169.70000109
338S23Very low24.5Very low102 Ų102137.4 Ų137.471%0.71382%0.817SS**  trans-4.8138.6168.676.70000120.3
339E24Very low24.4Very low177 Ų177145.6 Ų145.683%0.82783%0.827SS**  -167.3125.5126.2-114-176.5-175.500111.3
340L23.8Very low24.2Very low168 Ų168143.2 Ų143.288%0.8882%0.824SS**  156.1115.6122.7-91.3141.3000112.9
341A22.9Very low24Very low84 Ų84142.6 Ų142.669%0.69483%0.826SS**  trans-112.9135158.900000109.4
342K23.3Very low24.4Very low197 Ų197142.4 Ų142.486%0.85782%0.823SS**  trans134.3114.3138-74.2-178.8179.4176.40116.9
343S24Very low24.2Very low115 Ų115139.2 Ų139.280%0.80481%0.814SS**  92164129.983.90000119.6
344P35.9Very low24.1Very low124 Ų124138 Ų13881%0.80581%0.812SS**  -134.9165-85.636.2-17000115.8
345G21.3Very low23.8Very low77 Ų77140.4 Ų140.479%0.79481%0.81SS**  trans92.6116.1148.100000118.6
346E22.6Very low23.6Very low204 Ų204139.6 Ų139.695%0.95381%0.811SS**  -170.4151.1119.2-118.4-177.4165.900112.2
347V22.4Very low23.5Very low121 Ų121135.3 Ų135.373%0.73380%0.796SS**  trans-104.8132-164.9167.40000109.8
348V23.9Very low23.4Very low148 Ų148140 Ų14090%0.89780%0.8SS**  trans-146.8140.5144.1-175.10000111.7
349R21.9Very low23.4Very low240 Ų240141.7 Ų141.791%0.90680%0.801SS**  trans-77.8161-164.1-61159.4-158.7-146.20.3115.8
350G22.1Very low23.4Very low81 Ų81143 Ų14384%0.83580%0.804SS**  trans163.987.8144.600000115.6
351A21Very low23.4Very low94 Ų94139.9 Ų139.978%0.77780%0.802SS**  trans-83.6-167.1176.200000112.2
352P30.6Very low23.4Very low112 Ų112142.3 Ų142.373%0.72781%0.808SS**  cis-141.3168.6-6.937.1-17.2000116.2
353C21.4Very low23.5Very low108 Ų108141.2 Ų141.273%0.7381%0.812SS**  169.6122.8111.9-101.60000115.6
354Q21.6Very low23.4Very low168 Ų168140.8 Ų140.879%0.78581%0.809SS**  trans47.4110137-63.1-174.2-19.300119.8
355I20.3Very low22.8Very low148 Ų148142.8 Ų142.876%0.75981%0.813SS**  63.6105.879.4-57.7168.7000113.1
356D21.1Very low22.9Very low156 Ų156143.8 Ų143.883%0.83481%0.808SS**  -163.8149.4113.1-109.5-23000113.9
357S20.8Very low22.9Very low92 Ų92138.6 Ų138.664%0.64380%0.8SS**  trans-94.4147-165.855.40000115.3
358R23.1Very low22.9Very low223 Ų223142 Ų14284%0.84281%0.805SS**  160.9124.6118.5-94.4178.6169.1168.5-1.4114.8
359D23.7Very low22.7Very low138 Ų138140.8 Ų140.874%0.73880%0.801SS**  trans40.3113.7137.5-53.3-28.8000122.1
360K24.4Very low22.9Very low206 Ų206138.6 Ų138.690%0.89680%0.801SS**  175.2137.1102.5-96.6179.3-179.9179.30111.6
361A23.5Very low22.9Very low101 Ų101140.1 Ų140.184%0.83580%0.799SS**  trans-75.4130.3-178.800000113.1
362T22.6Very low23Very low135 Ų135141.3 Ų141.383%0.82880%0.802SS**  trans-147.5110.3155.343.50000106.6
363N24.7Very low22.7Very low175 Ų175143.6 Ų143.694%0.93681%0.807SS**PPolyproline II helixtrans-88.8126.5173.1-98.8-3.4000109.5
364S22.8Very low22.9Very low106 Ų106142.3 Ų142.374%0.74181%0.812SS**PPolyproline II helixtrans-89.5144.2-175.350.50000112.5
365D23.1Very low23.2Very low165 Ų165142.8 Ų142.888%0.88281%0.814SS**PPolyproline II helixtrans-51.7138.2157.2-66.3-51.8000112
366S22.5Very low23.4Very low99 Ų99145.3 Ų145.369%0.69282%0.819SS**  trans-124.691.9163.4670000109.9
367A23.2Very low23.7Very low94 Ų94146.6 Ų146.678%0.77782%0.82SS**PPolyproline II helixtrans-68.3127.9161.800000109.4
368F22.6Very low24.1Very low194 Ų194146.2 Ų146.285%0.85181%0.811SS**PPolyproline II helixtrans-92.4118.1170.1-95.7-90.4000109.8
369C19.3Very low24.4Very low121 Ų121140.8 Ų140.882%0.81881%0.807SS**PPolyproline II helixtrans-75129.2176.9-60.70000111.2
370H26.6Very low24.6Very low195 Ų195140.2 Ų140.290%0.90380%0.803SS**PPolyproline II helixtrans-89.6125.7161.9-84.9-68.6000110.3
371S21.1Very low25Very low113 Ų113135.2 Ų135.279%0.7979%0.79SS**PPolyproline II helixtrans-72.5128.4178.251.40000112
372S23.3Very low25.4Very low119 Ų119136.2 Ų136.283%0.83278%0.781SS**PPolyproline II helixtrans-65.7120.1175.850.40000113.1
373L24.8Very low26.3Very low159 Ų159133.4 Ų133.483%0.83276%0.756SS**PPolyproline II helixtrans-94.3123.8159.4-95.2145.2000108.6H375L373-H375 PolarHBondContact O-N 3.49Å
374G25.4Very low26.8Very low81 Ų81130 Ų13084%0.83575%0.746SS**PPolyproline II helixtrans-63.9118.1-166.300000114.3
375H27.8Very low27.3Very low178 Ų178128.1 Ų128.182%0.82474%0.743SS**  trans-105.3129.5163.2-79.4-82.8000109.1L373 E377L373-H375 PolarHBondContact O-N 3.49Å; H375-E377 PolarHBondContact O-N 3.16Å
376K25.7Very low28.2Very low202 Ų202124.9 Ų124.988%0.87872%0.724SS**  trans-50.7135.8171.4-88.2175.7170.5176.80110.2L378K376-L378 PolarHBondContact O-N 3.07Å
377E27Very low29.1Very low183 Ų183127.4 Ų127.486%0.85573%0.725SS**  trans-44.9105.7178.9-76.6168.8135.600112.1H375 S379H375-E377 PolarHBondContact O-N 3.16Å; E377-S379 PolarHBondContact O-N 2.84Å
378L28.9Very low30Very low84 Ų84128 Ų12844%0.4472%0.715SS.*  trans-61123.4151.2-83144.4000106.5K376 L380 Q541K376-L378 PolarHBondContact O-N 3.07Å; L378-L380 PolarHBondContact O-N 2.89Å; L378-L380 VanDerWaalsContact O-N 3.12Å; L378-Q541 HydrophobicContact CD2-CG 4.23Å
379S29.4Very low31.1Very low109 Ų109123.8 Ų123.876%0.76270%0.701SS**  trans-50119.9-179.256.70000110.6E377 T381E377-S379 PolarHBondContact O-N 2.84Å; S379-T381 PolarHBondContact O-N 3.49Å
380L28.4Very low32.3Very low126 Ų126120.9 Ų120.966%0.6669%0.692SS**  trans-59.9101.2172.2-84.8126.9000109.3L378 D382L378-L380 PolarHBondContact O-N 2.89Å; L378-L380 VanDerWaalsContact O-N 3.12Å; L380-D382 PolarHBondContact O-N 3.18Å
381T33.3Very low33.4Very low101 Ų101116.3 Ų116.362%0.6267%0.673SS**  trans-80.5101.1148.746.80000106.1S379 Y383S379-T381 PolarHBondContact O-N 3.49Å; T381-Y383 WeakPolarHBondContact O-CD2 3.41Å; T381-Y383 PolarHBondContact O-N 2.91Å; T381-Y383 VanDerWaalsContact O-N 3.15Å
382D30.7Very low35.4Very low122 Ų122115.8 Ų115.865%0.65267%0.67SS**  trans-58.9113.1177-92.2-28.5000110.1L380 S384L380-D382 PolarHBondContact O-N 3.18Å; D382-S384 PolarHBondContact O-N 2.81Å
383Y41.6Very low38Very low75 Ų75111.9 Ų111.929%0.29464%0.642SS.*G310 helixtrans-74.96170-82-91.3000112.7T381 G385 H443 A444T381-Y383 WeakPolarHBondContact O-CD2 3.41Å; T381-Y383 PolarHBondContact O-N 2.91Å; T381-Y383 VanDerWaalsContact O-N 3.15Å; Y383-G385 PolarHBondContact O-N 3.29Å; Y383-H443 PolarHBondContact OH-O 2.88Å; Y383-A444 VanDerWaalsContact OH-C 3.31Å; Y383-A444 WeakPolarHBondContact OH-CA 3.42Å; Y383-A444 PolarHBondContact OH-O 3.19Å
384S34.9Very low40.7Very low105 Ų105107.6 Ų107.673%0.73463%0.625SS**G310 helixtrans-71.9-5.618062.40000114D382D382-S384 PolarHBondContact O-N 2.81Å
385G34.9Very low43.4Very low65 Ų65105.1 Ų105.167%0.6759%0.592SS**G310 helixtrans-92-3.2179.400000115.4Y383 E387Y383-G385 PolarHBondContact O-N 3.29Å; G385-E387 VanDerWaalsContact C-N 3.3Å; G385-E387 PolarHBondContact O-N 3.25Å
386M41.6Very low45.8Very low97 Ų9799.2 Ų99.248%0.47858%0.579SS.*SBendtrans-77.290.5164.7-75.5-162.3173.800107.6D388 W408M386-D388 PolarHBondContact O-N 3.35Å; M386-W408 HydrophobicContact CB-CZ3 4.07Å
387E39.9Very low48.6Very low153 Ų15394.8 Ų94.872%0.71557%0.565SS**  trans-52.2132.8167-70.5-175.2156.500108.5G385 D389G385-E387 VanDerWaalsContact C-N 3.3Å; G385-E387 PolarHBondContact O-N 3.25Å; E387-D389 PolarHBondContact O-N 3.33Å
388D43.3Very low51.4Low106 Ų10686.8 Ų86.857%0.56753%0.527SS*.  trans-66.379170.6-168.81.1000106.6M386 G390 R405M386-D388 PolarHBondContact O-N 3.35Å; D388-G390 PolarHBondContact O-N 3.42Å; D388-R405 IonicContact OD2-NH2 3.95Å; D388-R405 PolarHBondContact OD2-NH2 3.23Å
389D44.5Very low54.2Low105 Ų10584.4 Ų84.456%0.56152%0.517SS*.  trans-62.35.4-179.2-76.5-32.8000112.7E387 I391 K637E387-D389 PolarHBondContact O-N 3.33Å; D389-I391 HydrophobicContact CB-CD1 3.45Å; D389-I391 VanDerWaalsContact CB-CD1 3.45Å; D389-I391 HydrophobicContact CB-CG1 3.58Å; D389-I391 PolarHBondContact O-N 3.11Å; D389-I391 VanDerWaalsContact O-N 3.09Å; D389-K637 IonicContact OD2-NZ 3.92Å
390G46.5Very low57.1Low61 Ų6179.5 Ų79.563%0.62948%0.482SS*.  trans60.820.3-174.600000112.7D388 S392D388-G390 PolarHBondContact O-N 3.42Å; G390-S392 PolarHBondContact O-N 3.5Å; G390-S392 VanDerWaalsContact O-N 3.07Å
391I48.2Very low60.1Low98 Ų9874.6 Ų74.650%0.50346%0.455SS..  trans-71.5106.5-177.3-67.7166.5000108.1D389 C393D389-I391 HydrophobicContact CB-CD1 3.45Å; D389-I391 VanDerWaalsContact CB-CD1 3.45Å; D389-I391 HydrophobicContact CB-CG1 3.58Å; D389-I391 PolarHBondContact O-N 3.11Å; D389-I391 VanDerWaalsContact O-N 3.09Å; I391-C393 PolarHBondContact O-N 2.89Å
392S64Low62.7Low103 Ų10371.2 Ų71.272%0.7243%0.432SS*.  trans-55.1129162.954.10000109.3G390G390-S392 PolarHBondContact O-N 3.5Å; G390-S392 VanDerWaalsContact O-N 3.07Å
393C78.2Confident65.4Low37 Ų3769.7 Ų69.725%0.2543%0.427CS..  trans-58.9144.4170.5-58.20000110.2I391 H395 T403 H640I391-C393 PolarHBondContact O-N 2.89Å; C393-H395 VanDerWaalsContact CB-CD2 3.41Å; C393-H395 WeakPolarHBondContact CB-CD2 3.22Å; C393-H395 WeakPolarHBondContact CB-NE2 3.43Å; C393-T403 VanDerWaalsContact SG-CG2 3.54Å; C393-H640 PolarHBondContact SG-NE2 3.33Å; C393-H640 VanDerWaalsContact SG-NE2 3.41Å
394S80.2Confident67.6Low68 Ų6870 Ų7048%0.47643%0.431SS..SBendtrans-86.6-3.6-175.248.10000113.8K638 Q642S394-K638 PolarHBondContact OG-O 2.91Å; S394-Q642 VanDerWaalsContact CB-NE2 3.28Å; S394-Q642 PolarHBondContact O-NE2 3.38Å; S394-Q642 PolarHBondContact OG-NE2 3.38Å
395H82.6Confident70Confident30 Ų3074 Ų7414%0.13943%0.43CS..SBendtrans-84.6168.4179.561.364.9000112.5C393 Y398 C400 H640 Q642C393-H395 VanDerWaalsContact CB-CD2 3.41Å; C393-H395 WeakPolarHBondContact CB-CD2 3.22Å; C393-H395 WeakPolarHBondContact CB-NE2 3.43Å; H395-Y398 HydrophobicContact CB-CE1 3.83Å; H395-Y398 AromaticContact CD2-CE1 3.82Å; H395-Y398 AromaticContact CD2-CZ 3.7Å; H395-Y398 PolarHBondContact CD2-OH 2.89Å; H395-Y398 AromaticContact CE1-CD1 3.91Å; H395-Y398 AromaticContact CE1-CE1 3.44Å; H395-Y398 VanDerWaalsContact CE1-CE1 3.44Å; H395-Y398 WeakPolarHBondContact CE1-CE1 3.44Å; H395-Y398 AromaticContact CE1-CZ 3.51Å; H395-Y398 AromaticContact CG-CE1 3.29Å; H395-Y398 AromaticContact CG-CZ 3.7Å; H395-Y398 AromaticContact ND1-CD1 3.52Å; H395-Y398 AromaticContact ND1-CE1 3.03Å; H395-Y398 WeakPolarHBondContact ND1-CE1 3.35Å; H395-Y398 AromaticContact ND1-CZ 3.58Å; H395-Y398 AromaticContact NE2-CE1 3.91Å; H395-Y398 AromaticContact NE2-CZ 3.6Å; H395-Y398 PolarHBondContact NE2-OH 3.01Å; H395-C400 WeakPolarHBondContact NE2-CB 3.18Å; H395-C400 PolarHBondContact NE2-SG 2.75Å; H395-H640 WeakPolarHBondContact CB-O 3.22Å; H395-H640 AromaticContact CD2-CD2 3.35Å; H395-H640 PolarHBondContact CD2-CD2 3.41Å; H395-H640 AromaticContact CD2-CE1 3.84Å; H395-H640 AromaticContact CD2-NE2 3.13Å; H395-H640 PolarHBondContact CD2-NE2 3.2Å; H395-H640 PolarHBondContact CD2-O 3.27Å; H395-H640 AromaticContact NE2-CD2 3.68Å; H395-H640 AromaticContact NE2-NE2 3.22Å; H395-H640 PolarHBondContact NE2-NE2 3.46Å; H395-Q642 HydrophobicContact CB-CG 4.4Å
396G79.1Confident72.6Confident54 Ų5474.8 Ų74.856%0.55743%0.425SS*.  trans-62.8164.2173.800000113.3Y398G396-Y398 WeakPolarHBondContact O-CD1 3.38Å; G396-Y398 PolarHBondContact O-N 3.32Å; G396-Y398 VanDerWaalsContact O-N 3.14Å
397D83.6Confident74.9Confident109 Ų10970.1 Ų70.158%0.58340%0.402SS*.SBendtrans-67.4110.9-175.4-174.630.4000112.7P153 S154P153-D397 WeakPolarHBondContact CA-OD2 3.49Å; S154-D397 WeakPolarHBondContact CB-OD1 3.39Å; S154-D397 PolarHBondContact N-OD2 3.27Å; S154-D397 PolarHBondContact OG-OD1 3Å
398Y86.9Confident77.3Confident14 Ų1467.2 Ų67.26%0.05539%0.385CS..SBendtrans-150.4162.117067.2-97.4000110.5S154 M294 H395 G396 C400S154-Y398 VanDerWaalsContact CB-CA 3.44Å; M294-Y398 HydrophobicContact CB-CD2 3.95Å; M294-Y398 HydrophobicContact CB-CE2 4.29Å; M294-Y398 HydrophobicContact CB-CG 4.24Å; M294-Y398 HydrophobicContact CE-CE2 4.31Å; M294-Y398 HydrophobicContact CG-CD1 4.29Å; M294-Y398 HydrophobicContact CG-CD2 4Å; M294-Y398 HydrophobicContact CG-CE1 4.2Å; M294-Y398 HydrophobicContact CG-CE2 3.93Å; M294-Y398 HydrophobicContact CG-CG 4.2Å; M294-Y398 HydrophobicContact SD-CE2 4.05Å; H395-Y398 HydrophobicContact CB-CE1 3.83Å; H395-Y398 AromaticContact CD2-CE1 3.82Å; H395-Y398 AromaticContact CD2-CZ 3.7Å; H395-Y398 PolarHBondContact CD2-OH 2.89Å; H395-Y398 AromaticContact CE1-CD1 3.91Å; H395-Y398 AromaticContact CE1-CE1 3.44Å; H395-Y398 VanDerWaalsContact CE1-CE1 3.44Å; H395-Y398 WeakPolarHBondContact CE1-CE1 3.44Å; H395-Y398 AromaticContact CE1-CZ 3.51Å; H395-Y398 AromaticContact CG-CE1 3.29Å; H395-Y398 AromaticContact CG-CZ 3.7Å; H395-Y398 AromaticContact ND1-CD1 3.52Å; H395-Y398 AromaticContact ND1-CE1 3.03Å; H395-Y398 WeakPolarHBondContact ND1-CE1 3.35Å; H395-Y398 AromaticContact ND1-CZ 3.58Å; H395-Y398 AromaticContact NE2-CE1 3.91Å; H395-Y398 AromaticContact NE2-CZ 3.6Å; H395-Y398 PolarHBondContact NE2-OH 3.01Å; G396-Y398 WeakPolarHBondContact O-CD1 3.38Å; G396-Y398 PolarHBondContact O-N 3.32Å; G396-Y398 VanDerWaalsContact O-N 3.14Å; Y398-C400 VanDerWaalsContact C-N 3.34Å; Y398-C400 HydrophobicContact CD2-CB 4.15Å; Y398-C400 HydrophobicContact CE2-CB 3.74Å; Y398-C400 PolarHBondContact O-N 3.34Å
399P87.2Confident79.5Confident35 Ų3566.6 Ų66.623%0.22739%0.389CS..  trans-64.488.5176.7-19.534.4000111.6W157 T293 R401W157-P399 HydrophobicContact CB-CG 4.39Å; W157-P399 HydrophobicContact CG-CG 4.18Å; T293-P399 HydrophobicContact CG2-CG 4.44Å; T293-P399 WeakPolarHBondContact OG1-CD 3.45Å; P399-R401 PolarHBondContact O-N 3.46Å
400C89.3Confident81.8Confident6 Ų664.5 Ų64.54%0.04138%0.376CS..  trans-86.9114-170.8178.70000112.4H395 Y398 F402 T403 H640H395-C400 WeakPolarHBondContact NE2-CB 3.18Å; H395-C400 PolarHBondContact NE2-SG 2.75Å; Y398-C400 VanDerWaalsContact C-N 3.34Å; Y398-C400 HydrophobicContact CD2-CB 4.15Å; Y398-C400 HydrophobicContact CE2-CB 3.74Å; Y398-C400 PolarHBondContact O-N 3.34Å; C400-F402 PolarHBondContact O-N 2.97Å; C400-F402 PolarHBondContact SG-N 3.24Å; C400-T403 HydrophobicContact CB-CG2 4.19Å; C400-T403 PolarHBondContact O-N 3.18Å; C400-T403 PolarHBondContact O-OG1 3.24Å; C400-H640 PolarHBondContact SG-NE2 2.86Å; C400-H640 VanDerWaalsContact SG-NE2 3.41Å
401R91Very high84.2Confident22 Ų2268.1 Ų68.18%0.08337%0.371CS..G310 helixtrans-64.4-22.2178.3-70.4-17259.2-113.92.3114.2P399 T403 E404 A407 H449 P450 F451P399-R401 PolarHBondContact O-N 3.46Å; R401-T403 PolarHBondContact O-N 2.68Å; R401-E404 PolarHBondContact O-N 2.84Å; R401-E404 VanDerWaalsContact O-N 3.14Å; R401-A407 WeakPolarHBondContact O-CB 3.35Å; R401-H449 PolarHBondContact NH1-O 3.03Å; R401-P450 PolarHBondContact NH1-O 2.98Å; R401-F451 PolarHBondContact NH1-O 2.79Å
402F89.5Confident86.5Confident31 Ų3166 Ų6614%0.13636%0.362CS..G310 helixtrans-66.8-19.8173.4-64.8-93.4000112.7C400 W408 V448 P450 V512 V636 H640C400-F402 PolarHBondContact O-N 2.97Å; C400-F402 PolarHBondContact SG-N 3.24Å; F402-W408 PolarHBondContact O-NE1 2.64Å; F402-V448 HydrophobicContact CD1-CB 3.97Å; F402-V448 HydrophobicContact CD1-CG1 4.42Å; F402-V448 HydrophobicContact CE1-CB 4.16Å; F402-P450 HydrophobicContact CE2-CB 4.03Å; F402-P450 HydrophobicContact CE2-CG 4.31Å; F402-P450 HydrophobicContact CZ-CB 4.17Å; F402-P450 HydrophobicContact CZ-CG 3.94Å; F402-V512 HydrophobicContact CE2-CG1 4.44Å; F402-V636 HydrophobicContact CE1-CG1 3.73Å; F402-V636 HydrophobicContact CZ-CG1 3.97Å; F402-H640 HydrophobicContact CD2-CB 4.37Å; F402-H640 AromaticContact CD2-CD2 3.29Å; F402-H640 WeakPolarHBondContact CD2-CD2 3.45Å; F402-H640 AromaticContact CD2-CG 3.89Å; F402-H640 AromaticContact CD2-NE2 3.77Å; F402-H640 HydrophobicContact CE2-CB 3.9Å; F402-H640 AromaticContact CE2-CD2 3.68Å; F402-H640 AromaticContact CE2-CG 3.92Å; F402-H640 AromaticContact CG-CD2 3.88Å; F402-H640 AromaticContact CG-NE2 3.94Å; F402-H640 HydrophobicContact CZ-CB 4.15Å
403T87Confident88Confident90 Ų9061.2 Ų61.255%0.55233%0.328SS*.G310 helixtrans-88.1-12.8174.668.80000113.2C393 C400 R401 R405C393-T403 VanDerWaalsContact SG-CG2 3.54Å; C400-T403 HydrophobicContact CB-CG2 4.19Å; C400-T403 PolarHBondContact O-N 3.18Å; C400-T403 PolarHBondContact O-OG1 3.24Å; R401-T403 PolarHBondContact O-N 2.68Å; T403-R405 PolarHBondContact O-N 2.88Å
404E87.3Confident88.9Confident80 Ų8063 Ų6337%0.37434%0.34SS..  trans-85.1114.5-176.5-64.6-178.8178.100111.6R401 S406 A407 W408R401-E404 PolarHBondContact O-N 2.84Å; R401-E404 VanDerWaalsContact O-N 3.14Å; E404-S406 PolarHBondContact O-N 3.2Å; E404-A407 HydrophobicContact CB-CB 4.06Å; E404-A407 WeakPolarHBondContact O-CB 3.35Å; E404-A407 PolarHBondContact O-N 3.12Å; E404-W408 PolarHBondContact O-N 3.11Å
405R86Confident89.6Confident190 Ų19062.1 Ų62.172%0.71733%0.328SS*.Hα-helixtrans-59.1-31.3179.4-69.6-176.5-179.7168.5-0.7113.7D388 T403 A407 W408D388-R405 IonicContact OD2-NH2 3.95Å; D388-R405 PolarHBondContact OD2-NH2 3.23Å; T403-R405 PolarHBondContact O-N 2.88Å; R405-A407 VanDerWaalsContact C-N 3.32Å; R405-W408 PolarHBondContact O-N 3.2Å
406S89.3Confident90.3Very high81 Ų8161.8 Ų61.857%0.56633%0.325SS*.Hα-helixtrans-62-40.917545.30000111.5E404 W408 S409 Q410E404-S406 PolarHBondContact O-N 3.2Å; S406-W408 VanDerWaalsContact C-N 3.28Å; S406-W408 PolarHBondContact O-N 2.96Å; S406-S409 PolarHBondContact O-N 3.16Å; S406-S409 PolarHBondContact O-OG 2.97Å; S406-Q410 PolarHBondContact O-N 2.91Å
407A89.8Confident91.2Very high0 Ų059.2 Ų59.20%030%0.299CS..Hα-helixtrans-67.2-28.2-178.500000112.6R401 E404 R405 S409 Q410 V448R401-A407 WeakPolarHBondContact O-CB 3.35Å; E404-A407 HydrophobicContact CB-CB 4.06Å; E404-A407 WeakPolarHBondContact O-CB 3.35Å; E404-A407 PolarHBondContact O-N 3.12Å; R405-A407 VanDerWaalsContact C-N 3.32Å; A407-S409 VanDerWaalsContact C-N 3.28Å; A407-S409 PolarHBondContact O-N 2.84Å; A407-Q410 WeakPolarHBondContact O-CB 3.44Å; A407-Q410 PolarHBondContact O-N 2.85Å; A407-Q410 VanDerWaalsContact O-N 3.11Å; A407-V448 HydrophobicContact CB-CG1 3.84Å
408W89.6Confident91.9Very high91 Ų9154.6 Ų54.635%0.34527%0.274SS..Hα-helixtrans-63.4-36.8178.6-67.829.2000112M386 F402 E404 R405 S406 H443 V448M386-W408 HydrophobicContact CB-CZ3 4.07Å; F402-W408 PolarHBondContact O-NE1 2.64Å; E404-W408 PolarHBondContact O-N 3.11Å; R405-W408 PolarHBondContact O-N 3.2Å; S406-W408 VanDerWaalsContact C-N 3.28Å; S406-W408 PolarHBondContact O-N 2.96Å; W408-H443 PolarHBondContact O-CE1 2.78Å; W408-H443 PolarHBondContact O-NE2 3.07Å; W408-V448 HydrophobicContact CB-CG2 4.41Å; W408-V448 VanDerWaalsContact CD1-CG2 3.5Å; W408-V448 HydrophobicContact CG-CG2 4.05Å
409S90.1Very high92.4Very high94 Ų9453.9 Ų53.966%0.65727%0.271SS*.Hα-helixtrans-84.4-10.1176.568.80000114.1S406 A407 R411S406-S409 PolarHBondContact O-N 3.16Å; S406-S409 PolarHBondContact O-OG 2.97Å; A407-S409 VanDerWaalsContact C-N 3.28Å; A407-S409 PolarHBondContact O-N 2.84Å; S409-R411 PolarHBondContact O-N 2.97Å
410Q93.6Very high92.8Very high60 Ų6052.2 Ų52.228%0.2826%0.26SS..  trans-81.883.9-174.7-169.7178.231.200111.4S406 A407 V412 V413 P414 H443S406-Q410 PolarHBondContact O-N 2.91Å; A407-Q410 WeakPolarHBondContact O-CB 3.44Å; A407-Q410 PolarHBondContact O-N 2.85Å; A407-Q410 VanDerWaalsContact O-N 3.11Å; Q410-V412 VanDerWaalsContact C-N 3.28Å; Q410-V412 WeakPolarHBondContact CG-O 3.49Å; Q410-V412 PolarHBondContact O-N 2.8Å; Q410-V413 HydrophobicContact CG-CG1 4.47Å; Q410-P414 VanDerWaalsContact NE2-CD 3.31Å; Q410-H443 PolarHBondContact O-CD2 3.1Å
411R95.7Very high93Very high138 Ų13854.4 Ų54.452%0.52128%0.278SS..SBendtrans-64.3-30.8178.6-63.6-159.2-69.4-150.6-3.1114.1S409 L439 A440S409-R411 PolarHBondContact O-N 2.97Å; R411-L439 CarbonylContact O-C 3.54Å; R411-A440 WeakPolarHBondContact O-CA 3.39Å; R411-A440 PolarHBondContact O-N 3.06Å
412V97.3Very high93.2Very high52 Ų5256.7 Ų56.732%0.31530%0.297SS..SBendtrans-130.5118.2-179.6-1770000108Q410 P436 L439 A440Q410-V412 VanDerWaalsContact C-N 3.28Å; Q410-V412 WeakPolarHBondContact CG-O 3.49Å; Q410-V412 PolarHBondContact O-N 2.8Å; V412-P436 HydrophobicContact CG1-CB 4.23Å; V412-P436 WeakPolarHBondContact CG2-O 3.5Å; V412-L439 HydrophobicContact CG1-CB 4.24Å; V412-L439 HydrophobicContact CG1-CD1 3.98Å; V412-A440 HydrophobicContact CG2-CB 3.92Å
413V95.8Very high93.4Very high4 Ų455.8 Ų55.82%0.02429%0.293CS..  trans-75.2153.2173.1-65.70000110.6Q410 H415 L439 H449 L454Q410-V413 HydrophobicContact CG-CG1 4.47Å; V413-H415 PolarHBondContact O-N 2.98Å; V413-H415 PolarHBondContact O-ND1 2.83Å; V413-L439 HydrophobicContact CG2-CD1 4.05Å; V413-L439 HydrophobicContact CG2-CD2 4.02Å; V413-H449 HydrophobicContact CG1-CB 3.69Å; V413-L454 HydrophobicContact CG2-CB 4.22Å
414P95.8Very high93.7Very high75 Ų7553.7 Ų53.749%0.48728%0.279SS..  trans-45.6130.8166.8-28.931.7000111.2Q410 P452 R453 L454Q410-P414 VanDerWaalsContact NE2-CD 3.31Å; P414-P452 WeakPolarHBondContact CD-O 3.34Å; P414-R453 HydrophobicContact CB-CB 4.18Å; P414-R453 CarbonylContact O-C 3.51Å; P414-R453 VanDerWaalsContact O-CA 3.22Å; P414-R453 WeakPolarHBondContact O-CA 3.4Å; P414-L454 PolarHBondContact O-N 3.42Å
415H96.4Very high93.9Very high48 Ų4856.1 Ų56.122%0.22229%0.29CS..EExtended strand (participates in β ladder)trans-144.5151.9-177.958.8-84.5000112V413 L435 L439 L454V413-H415 PolarHBondContact O-N 2.98Å; V413-H415 PolarHBondContact O-ND1 2.83Å; H415-L435 HydrophobicContact CB-CD2 3.82Å; H415-L435 HydrophobicContact CB-CG 4.46Å; H415-L439 HydrophobicContact CB-CD1 4.23Å; H415-L454 WeakPolarHBondContact CA-O 3.38Å; H415-L454 WeakPolarHBondContact CB-O 3.41Å
416R96.3Very high94Very high23 Ų2351.2 Ų51.29%0.08727%0.274CS..EExtended strand (participates in β ladder)trans-141.9149.2178.5-55.9178.1-63.31661.7109.1E274 F418 R453 L454 D455 V456E274-R416 IonicContact OE1-CZ 3.96Å; E274-R416 IonicContact OE1-NH1 3.8Å; E274-R416 PolarHBondContact OE1-NH1 3.03Å; E274-R416 IonicContact OE2-CZ 3.86Å; E274-R416 IonicContact OE2-NH1 3.4Å; E274-R416 PolarHBondContact OE2-NH1 3.38Å; R416-F418 HydrophobicContact CB-CD2 4.43Å; R416-F418 HydrophobicContact CB-CE2 3.71Å; R416-F418 HydrophobicContact CB-CZ 4.29Å; R416-R453 VanDerWaalsContact NH2-NH1 3.18Å; R416-L454 PolarHBondContact N-O 2.83Å; R416-D455 WeakPolarHBondContact CB-OD1 3.31Å; R416-D455 IonicContact CZ-OD1 2.78Å; R416-D455 IonicContact CZ-OD2 3.7Å; R416-D455 IonicContact NE-OD1 3.22Å; R416-D455 PolarHBondContact NE-OD1 2.59Å; R416-D455 IonicContact NE-OD2 3.51Å; R416-D455 IonicContact NH2-OD1 2.9Å; R416-D455 PolarHBondContact NH2-OD1 2.75Å; R416-D455 IonicContact NH2-OD2 3.23Å; R416-D455 PolarHBondContact NH2-OD2 3.24Å; R416-D455 CarbonylContact O-C 3.59Å; R416-D455 WeakPolarHBondContact O-CA 3.25Å; R416-V456 PolarHBondContact O-N 3.01Å
417V97.7Very high94.2Very high1 Ų147.3 Ų47.31%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-120.1134.7175-175.40000108.1V311 A427 I431 L432 L435 V456V311-V417 HydrophobicContact CB-CB 4.11Å; V311-V417 HydrophobicContact CB-CG1 4.44Å; V311-V417 HydrophobicContact CG2-CB 3.9Å; V311-V417 HydrophobicContact CG2-CG1 3.73Å; V311-V417 WeakPolarHBondContact CG2-O 3.3Å; V311-V417 PolarHBondContact N-O 3.14Å; V417-A427 HydrophobicContact CG1-CB 4.32Å; V417-I431 HydrophobicContact CG1-CB 4.47Å; V417-I431 HydrophobicContact CG1-CG2 4.17Å; V417-I431 HydrophobicContact CG2-CG2 4.06Å; V417-L432 HydrophobicContact CB-CD1 4.45Å; V417-L432 HydrophobicContact CG2-CB 4.08Å; V417-L432 HydrophobicContact CG2-CD1 3.78Å; V417-L435 HydrophobicContact CG2-CD2 4.11Å; V417-V456 CarbonylContact C-O 3.56Å; V417-V456 WeakPolarHBondContact CA-O 3.32Å; V417-V456 HydrophobicContact CG1-CB 4.45Å; V417-V456 HydrophobicContact CG2-CB 4.28Å
418F97.8Very high94.3Very high11 Ų1148 Ų485%0.04825%0.25CC..EExtended strand (participates in β ladder)trans-121136.3177.8-65.4-92.1000109.4V266 L268 W308 C309 R310 R416 D455 V456 L457 I458V266-F418 HydrophobicContact CG1-CE1 4.39Å; L268-F418 HydrophobicContact CD1-CB 3.9Å; L268-F418 HydrophobicContact CD1-CD1 4.22Å; L268-F418 HydrophobicContact CD1-CD2 3.74Å; L268-F418 HydrophobicContact CD1-CE2 4.3Å; L268-F418 HydrophobicContact CD1-CG 3.7Å; L268-F418 HydrophobicContact CD2-CD1 4.46Å; L268-F418 HydrophobicContact CD2-CD2 4.01Å; L268-F418 HydrophobicContact CD2-CE1 4.18Å; L268-F418 HydrophobicContact CD2-CE2 3.7Å; L268-F418 HydrophobicContact CD2-CG 4.39Å; L268-F418 HydrophobicContact CD2-CZ 3.79Å; W308-F418 HydrophobicContact CB-CB 4.23Å; C309-F418 WeakPolarHBondContact O-CA 3.42Å; R310-F418 HydrophobicContact CB-CD1 4.19Å; R310-F418 HydrophobicContact CB-CE1 3.9Å; R310-F418 HydrophobicContact CG-CE1 4.41Å; R416-F418 HydrophobicContact CB-CD2 4.43Å; R416-F418 HydrophobicContact CB-CE2 3.71Å; R416-F418 HydrophobicContact CB-CZ 4.29Å; F418-D455 HydrophobicContact CE2-CB 4.46Å; F418-V456 PolarHBondContact N-O 2.82Å; F418-L457 HydrophobicContact CB-CD1 3.82Å; F418-I458 PolarHBondContact O-N 2.89Å
419S97.2Very high94.1Very high0 Ų045.6 Ų45.60%024%0.243CC..EExtended strand (participates in β ladder)trans-150162.7176.6740000111.2C309C309-S419 PolarHBondContact N-O 3Å; C309-S419 PolarHBondContact O-N 3.27Å
420P96.1Very high93.9Very high0 Ų041.3 Ų41.30%021%0.214CC..  trans-56.2156.4161.6-17.127.6000110.9D223 Q224 D225 C422 L423 L424D223-P420 HydrophobicContact CB-CG 4.19Å; Q224-P420 HydrophobicContact CB-CB 4.23Å; Q224-P420 HydrophobicContact CB-CG 4.09Å; Q224-P420 HydrophobicContact CG-CG 4.46Å; D225-P420 VanDerWaalsContact OD2-CB 3.29Å; D225-P420 WeakPolarHBondContact OD2-CB 3.32Å; P420-C422 VanDerWaalsContact C-N 3.35Å; P420-C422 PolarHBondContact O-N 3.4Å; P420-L423 HydrophobicContact CG-CD1 4.37Å; P420-L423 PolarHBondContact O-N 3.02Å; P420-L423 VanDerWaalsContact O-N 3.15Å; P420-L424 PolarHBondContact O-N 3.46Å
421A94.8Very high93.9Very high51 Ų5138.5 Ų38.542%0.42120%0.2SC..G310 helixtrans-60.8-41.8-178.400000111.8D225 L423 L424D225-A421 WeakPolarHBondContact OD2-CA 3.44Å; D225-A421 WeakPolarHBondContact OD2-CB 3.26Å; D225-A421 PolarHBondContact OD2-N 3.33Å; A421-L423 PolarHBondContact O-N 3.45Å; A421-L424 HydrophobicContact CB-CD1 4.45Å; A421-L424 WeakPolarHBondContact O-CB 3.47Å; A421-L424 PolarHBondContact O-N 3.46Å
422C94.8Very high93.8Very high71 Ų7132.9 Ų32.948%0.4818%0.181SC..G310 helixtrans-63.5-20.4178.262.10000114.3Q224 D225 P420Q224-C422 VanDerWaalsContact CB-SG 3.52Å; D225-C422 WeakPolarHBondContact OD1-CB 3.27Å; D225-C422 PolarHBondContact OD1-N 2.89Å; D225-C422 PolarHBondContact OD1-SG 3.12Å; D225-C422 PolarHBondContact OD2-N 2.94Å; P420-C422 VanDerWaalsContact C-N 3.35Å; P420-C422 PolarHBondContact O-N 3.4Å
423L93.9Very high93.5Very high11 Ų1135.4 Ų35.46%0.05819%0.187CC..G310 helixtrans-102.5-1.8-179.1-63.3-174.8000114.1Q224 P420 A421 Q425 K426 A427 I458 Q478 L481Q224-L423 HydrophobicContact CB-CD1 4.33Å; Q224-L423 HydrophobicContact CB-CG 4.48Å; Q224-L423 HydrophobicContact CG-CD1 3.85Å; Q224-L423 HydrophobicContact CG-CG 4.47Å; P420-L423 HydrophobicContact CG-CD1 4.37Å; P420-L423 PolarHBondContact O-N 3.02Å; P420-L423 VanDerWaalsContact O-N 3.15Å; A421-L423 PolarHBondContact O-N 3.45Å; L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-Q425 PolarHBondContact O-N 2.58Å; L423-K426 HydrophobicContact CD2-CD 4.07Å; L423-K426 PolarHBondContact O-N 3.01Å; L423-A427 WeakPolarHBondContact O-CB 3.45Å; L423-A427 PolarHBondContact O-N 3.18Å; L423-I458 HydrophobicContact CD1-CG2 3.82Å; L423-Q478 HydrophobicContact CD1-CB 4.16Å; L423-L481 HydrophobicContact CB-CD1 4.48Å; L423-L481 HydrophobicContact CD1-CD1 4.07Å; L423-L481 HydrophobicContact CD2-CD1 4.47Å
424L92.8Very high93.3Very high46 Ų4635.4 Ų35.424%0.24119%0.187CC..Hα-helixtrans-52.1-47.4-174.7-82.2171.8000113.5C309 V311 P420 A421 K426 A427 Q428C309-L424 HydrophobicContact CB-CD1 4.07Å; C309-L424 HydrophobicContact CB-CD2 3.8Å; C309-L424 HydrophobicContact CB-CG 4.28Å; V311-L424 HydrophobicContact CB-CD2 4.45Å; V311-L424 HydrophobicContact CG2-CD2 4.01Å; P420-L424 PolarHBondContact O-N 3.46Å; A421-L424 HydrophobicContact CB-CD1 4.45Å; A421-L424 WeakPolarHBondContact O-CB 3.47Å; A421-L424 PolarHBondContact O-N 3.46Å; L424-K426 PolarHBondContact O-N 2.93Å; L424-A427 PolarHBondContact O-N 2.82Å; L424-Q428 VanDerWaalsContact O-CB 3.29Å; L424-Q428 WeakPolarHBondContact O-CB 3.44Å; L424-Q428 PolarHBondContact O-N 3.42Å
425Q90.3Very high93.3Very high132 Ų13231.9 Ų31.962%0.61716%0.164SC*.Hα-helixtrans-65.8-40.5-179.3-170.3-179.325.400111.8L423 Q428 M429L423-Q425 VanDerWaalsContact C-N 3.34Å; L423-Q425 PolarHBondContact O-N 2.58Å; Q425-Q428 PolarHBondContact O-N 3.19Å; Q425-M429 WeakPolarHBondContact O-CB 3.19Å; Q425-M429 VanDerWaalsContact O-CG 3.32Å; Q425-M429 WeakPolarHBondContact O-CG 3.5Å; Q425-M429 PolarHBondContact O-N 3.28Å
426K90Very high93.3Very high86 Ų8631.6 Ų31.637%0.37417%0.167SC..Hα-helixtrans-66.9-44.4177.6-67.4-178-179174.50110.9L423 L424 M429 G430 L481L423-K426 HydrophobicContact CD2-CD 4.07Å; L423-K426 PolarHBondContact O-N 3.01Å; L424-K426 PolarHBondContact O-N 2.93Å; K426-M429 PolarHBondContact O-N 2.84Å; K426-G430 WeakPolarHBondContact O-CA 3.41Å; K426-G430 PolarHBondContact O-N 2.67Å; K426-L481 HydrophobicContact CB-CD1 4.24Å
427A93.1Very high93.3Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-64.6-39.6176.800000112V311 V417 L423 L424 I431 L432 I458V311-A427 HydrophobicContact CG2-CB 3.81Å; V417-A427 HydrophobicContact CG1-CB 4.32Å; L423-A427 WeakPolarHBondContact O-CB 3.45Å; L423-A427 PolarHBondContact O-N 3.18Å; L424-A427 PolarHBondContact O-N 2.82Å; A427-I431 WeakPolarHBondContact O-CA 3.48Å; A427-I431 WeakPolarHBondContact O-CB 3.35Å; A427-I431 PolarHBondContact O-N 3.22Å; A427-L432 PolarHBondContact O-N 2.94Å; A427-I458 HydrophobicContact CB-CG1 4.32Å
428Q91.4Very high93.3Very high13 Ų1334.7 Ų34.76%0.06118%0.178CC..Iπ-helixtrans-61.6-47.3175.7-166.6179.730.800111.7V311 P312 E314 L424 Q425 L432 K433V311-Q428 HydrophobicContact CG1-CB 3.55Å; V311-Q428 HydrophobicContact CG1-CG 3.96Å; P312-Q428 PolarHBondContact O-NE2 3.02Å; E314-Q428 PolarHBondContact O-NE2 2.7Å; L424-Q428 VanDerWaalsContact O-CB 3.29Å; L424-Q428 WeakPolarHBondContact O-CB 3.44Å; L424-Q428 PolarHBondContact O-N 3.42Å; Q425-Q428 PolarHBondContact O-N 3.19Å; Q428-L432 HydrophobicContact CG-CD2 4.39Å; Q428-K433 WeakPolarHBondContact O-CG 3.4Å; Q428-K433 PolarHBondContact O-N 2.99Å
429M85.7Confident93.3Very high42 Ų4234.4 Ų34.421%0.20718%0.177CC..Iπ-helixtrans-77-43.7-175.9-69.5-61.1-57.700113.2Q425 K426 K433 C485Q425-M429 WeakPolarHBondContact O-CB 3.19Å; Q425-M429 VanDerWaalsContact O-CG 3.32Å; Q425-M429 WeakPolarHBondContact O-CG 3.5Å; Q425-M429 PolarHBondContact O-N 3.28Å; K426-M429 PolarHBondContact O-N 2.84Å; M429-K433 HydrophobicContact CE-CD 4.31Å; M429-K433 HydrophobicContact SD-CD 4.05Å; M429-K433 PolarHBondContact SD-NZ 2.71Å; M429-C485 HydrophobicContact CB-CB 4.06Å; M429-C485 HydrophobicContact CE-CB 4.08Å; M429-C485 HydrophobicContact CG-CB 3.98Å
430G85.7Confident93.3Very high4 Ų435.5 Ų35.54%0.04119%0.187CC..Iπ-helixtrans-89-28.1-172.200000114.6K426 L434K426-G430 WeakPolarHBondContact O-CA 3.41Å; K426-G430 PolarHBondContact O-N 2.67Å; G430-L434 WeakPolarHBondContact O-CD1 3.37Å
431I93.1Very high93.4Very high0 Ų035.7 Ų35.70%019%0.188CC..Iπ-helixtrans-115.8-60.4-173.7-51.5-61000111V417 A427 K433 L434 L435 V456 I458 L476 L481 I500V417-I431 HydrophobicContact CG1-CB 4.47Å; V417-I431 HydrophobicContact CG1-CG2 4.17Å; V417-I431 HydrophobicContact CG2-CG2 4.06Å; A427-I431 WeakPolarHBondContact O-CA 3.48Å; A427-I431 WeakPolarHBondContact O-CB 3.35Å; A427-I431 PolarHBondContact O-N 3.22Å; I431-K433 VanDerWaalsContact C-N 3.29Å; I431-K433 PolarHBondContact O-N 2.87Å; I431-L434 PolarHBondContact O-N 3.38Å; I431-L435 WeakPolarHBondContact O-CB 3.43Å; I431-L435 PolarHBondContact O-N 2.92Å; I431-V456 HydrophobicContact CG2-CG1 4.1Å; I431-I458 HydrophobicContact CG1-CD1 4.28Å; I431-L476 HydrophobicContact CD1-CD1 4.03Å; I431-L476 HydrophobicContact CG2-CD1 4.45Å; I431-L481 HydrophobicContact CD1-CD2 3.83Å; I431-L481 HydrophobicContact CG1-CD2 3.55Å; I431-I500 HydrophobicContact CD1-CD1 3.84Å; I431-I500 HydrophobicContact CD1-CG1 4.38Å; I431-I500 HydrophobicContact CG2-CD1 4.1Å
432L93.6Very high93.6Very high20 Ų2033.3 Ų33.311%0.10517%0.168CC..Iπ-helixtrans-60.1-37.4-172.2-176.563.5000112.6V311 P312 T313 V417 A427 Q428 P436V311-L432 HydrophobicContact CB-CD2 4.28Å; V311-L432 HydrophobicContact CG1-CB 4.35Å; V311-L432 HydrophobicContact CG1-CD2 3.76Å; P312-L432 WeakPolarHBondContact O-CD2 3.48Å; T313-L432 HydrophobicContact CG2-CD2 4.48Å; V417-L432 HydrophobicContact CB-CD1 4.45Å; V417-L432 HydrophobicContact CG2-CB 4.08Å; V417-L432 HydrophobicContact CG2-CD1 3.78Å; A427-L432 PolarHBondContact O-N 2.94Å; Q428-L432 HydrophobicContact CG-CD2 4.39Å; L432-P436 WeakPolarHBondContact O-CD 3.42Å
433K90.4Very high93.7Very high105 Ų10530.2 Ų30.246%0.45715%0.147SC..THydrogen-bonded Turntrans-71.1-27.1176.4-75-177.9-178.6-1750114.1Q428 M429 I431Q428-K433 WeakPolarHBondContact O-CG 3.4Å; Q428-K433 PolarHBondContact O-N 2.99Å; M429-K433 HydrophobicContact CE-CD 4.31Å; M429-K433 HydrophobicContact SD-CD 4.05Å; M429-K433 PolarHBondContact SD-NZ 2.71Å; I431-K433 VanDerWaalsContact C-N 3.29Å; I431-K433 PolarHBondContact O-N 2.87Å
434L92.1Very high93.8Very high5 Ų530.8 Ų30.83%0.02615%0.153CC..THydrogen-bonded Turntrans-87.9-36.7-179.2-69.1-168.8000112.5G430 I431 R437 C438 L490 L493 I500 W536G430-L434 WeakPolarHBondContact O-CD1 3.37Å; I431-L434 PolarHBondContact O-N 3.38Å; L434-R437 WeakPolarHBondContact O-CA 3.47Å; L434-R437 WeakPolarHBondContact O-CB 3.18Å; L434-R437 PolarHBondContact O-N 2.64Å; L434-C438 PolarHBondContact O-N 2.69Å; L434-L490 HydrophobicContact CD2-CD1 3.47Å; L434-L490 VanDerWaalsContact CD2-CD1 3.47Å; L434-L493 HydrophobicContact CD1-CB 3.81Å; L434-L493 HydrophobicContact CD1-CD1 4.05Å; L434-L493 HydrophobicContact CD2-CD1 4.18Å; L434-L493 HydrophobicContact CG-CD1 4.18Å; L434-I500 HydrophobicContact CB-CD1 4.21Å; L434-W536 HydrophobicContact CD1-CH2 4.17Å; L434-W536 HydrophobicContact CD1-CZ3 4.43Å; L434-W536 HydrophobicContact CD2-CH2 4.44Å
435L95.4Very high94Very high0 Ų029 Ų290%014%0.144CC..Hα-helixtrans-52.6-46.4-170.7-17560.7000114.3H415 V417 I431 R437 C438 L439 L454 V456 I500 I504H415-L435 HydrophobicContact CB-CD2 3.82Å; H415-L435 HydrophobicContact CB-CG 4.46Å; V417-L435 HydrophobicContact CG2-CD2 4.11Å; I431-L435 WeakPolarHBondContact O-CB 3.43Å; I431-L435 PolarHBondContact O-N 2.92Å; L435-R437 VanDerWaalsContact C-N 3.28Å; L435-R437 PolarHBondContact O-N 2.97Å; L435-C438 PolarHBondContact O-N 3.04Å; L435-L439 HydrophobicContact CD1-CD1 4.28Å; L435-L439 HydrophobicContact CD1-CG 4.27Å; L435-L439 HydrophobicContact CG-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 WeakPolarHBondContact O-CG 3.35Å; L435-L439 PolarHBondContact O-N 3.34Å; L435-L454 HydrophobicContact CD1-CD2 4.32Å; L435-V456 HydrophobicContact CD1-CG2 4.36Å; L435-V456 HydrophobicContact CD2-CG2 3.78Å; L435-I500 HydrophobicContact CD1-CG2 3.83Å; L435-I504 HydrophobicContact CD1-CD1 4.07Å
436P96.5Very high94.3Very high42 Ų4223 Ų2327%0.27312%0.116SC..Hα-helixtrans-60-34.9175.5-20.928.8000113.9V412 L432 A440V412-P436 HydrophobicContact CG1-CB 4.23Å; V412-P436 WeakPolarHBondContact CG2-O 3.5Å; L432-P436 WeakPolarHBondContact O-CD 3.42Å; P436-A440 VanDerWaalsContact O-CB 3.32Å; P436-A440 WeakPolarHBondContact O-CB 3.44Å; P436-A440 PolarHBondContact O-N 3.43Å
437R95.9Very high94.6Very high90 Ų9019.4 Ų19.434%0.3410%0.103SC..Hα-helixtrans-71.8-43.1179.5-63.5176.663.1174.91110.8L434 L435 A440 A441 A539L434-R437 WeakPolarHBondContact O-CA 3.47Å; L434-R437 WeakPolarHBondContact O-CB 3.18Å; L434-R437 PolarHBondContact O-N 2.64Å; L435-R437 VanDerWaalsContact C-N 3.28Å; L435-R437 PolarHBondContact O-N 2.97Å; R437-A440 PolarHBondContact O-N 3.18Å; R437-A441 WeakPolarHBondContact O-CB 3.44Å; R437-A441 PolarHBondContact O-N 3.48Å; R437-A539 PolarHBondContact NE-O 3.49Å; R437-A539 PolarHBondContact NH2-O 3Å
438C97.8Very high94.7Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-64.9-42.5176.6-59.60000111.2L434 L435 A441 A442 I500 C501 I504L434-C438 PolarHBondContact O-N 2.69Å; L435-C438 PolarHBondContact O-N 3.04Å; C438-A441 PolarHBondContact O-N 2.65Å; C438-A442 WeakPolarHBondContact O-CB 3.22Å; C438-A442 PolarHBondContact O-N 3.2Å; C438-I500 HydrophobicContact CB-CG2 3.81Å; C438-C501 VanDerWaalsContact SG-SG 3.64Å; C438-I504 HydrophobicContact CB-CD1 3.68Å
439L98.4Very high94.9Very high4 Ų419.8 Ų19.82%0.02111%0.106CC..Hα-helixtrans-61.4-46174.8-75.1171.5000112.2R411 V412 V413 H415 L435 A441 A442 H443 L454 I504R411-L439 CarbonylContact O-C 3.54Å; V412-L439 HydrophobicContact CG1-CB 4.24Å; V412-L439 HydrophobicContact CG1-CD1 3.98Å; V413-L439 HydrophobicContact CG2-CD1 4.05Å; V413-L439 HydrophobicContact CG2-CD2 4.02Å; H415-L439 HydrophobicContact CB-CD1 4.23Å; L435-L439 HydrophobicContact CD1-CD1 4.28Å; L435-L439 HydrophobicContact CD1-CG 4.27Å; L435-L439 HydrophobicContact CG-CD1 4.09Å; L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 WeakPolarHBondContact O-CG 3.35Å; L435-L439 PolarHBondContact O-N 3.34Å; L439-A441 VanDerWaalsContact C-N 3.31Å; L439-A441 PolarHBondContact O-N 2.83Å; L439-A442 PolarHBondContact O-N 3.24Å; L439-H443 PolarHBondContact O-N 2.86Å; L439-L454 HydrophobicContact CD2-CD2 3.83Å; L439-I504 HydrophobicContact CD2-CD1 3.95Å; L439-I504 HydrophobicContact CD2-CG1 4.23Å; L439-I504 HydrophobicContact CD2-CG2 4.36Å; L439-I504 HydrophobicContact CG-CD1 4.11Å
440A98.2Very high95.3Very high24 Ų2418 Ų1820%0.19810%0.098CC..Hα-helixtrans-63.1-37.5176.500000112.6R411 V412 P436 R437 A444R411-A440 WeakPolarHBondContact O-CA 3.39Å; R411-A440 PolarHBondContact O-N 3.06Å; V412-A440 HydrophobicContact CG2-CB 3.92Å; P436-A440 VanDerWaalsContact O-CB 3.32Å; P436-A440 WeakPolarHBondContact O-CB 3.44Å; P436-A440 PolarHBondContact O-N 3.43Å; R437-A440 PolarHBondContact O-N 3.18Å; A440-A444 PolarHBondContact O-N 3.17Å
441A98.2Very high95.8Very high4 Ų417.9 Ų17.93%0.03310%0.096CC..Hα-helixtrans-67.9-43.2174.900000111.9R437 C438 L439 H443 A444 V445 I535 Q538 A539R437-A441 WeakPolarHBondContact O-CB 3.44Å; R437-A441 PolarHBondContact O-N 3.48Å; C438-A441 PolarHBondContact O-N 2.65Å; L439-A441 VanDerWaalsContact C-N 3.31Å; L439-A441 PolarHBondContact O-N 2.83Å; A441-H443 VanDerWaalsContact C-N 3.31Å; A441-H443 PolarHBondContact O-N 3.42Å; A441-A444 WeakPolarHBondContact O-CB 3.44Å; A441-A444 PolarHBondContact O-N 3.45Å; A441-A444 VanDerWaalsContact O-N 3.13Å; A441-V445 WeakPolarHBondContact O-CG2 3.38Å; A441-V445 PolarHBondContact O-N 3.02Å; A441-I535 HydrophobicContact CB-CG2 3.91Å; A441-I535 WeakPolarHBondContact CB-O 3.35Å; A441-Q538 HydrophobicContact CB-CB 4Å; A441-Q538 HydrophobicContact CB-CG 3.88Å; A441-A539 HydrophobicContact CB-CB 3.84Å
442A98.3Very high95.8Very high0 Ų019.6 Ų19.60%011%0.107CC..Hα-helixtrans-62-41.2176.600000111.3C438 L439 A444 V445 L446 I504 W508 I535C438-A442 WeakPolarHBondContact O-CB 3.22Å; C438-A442 PolarHBondContact O-N 3.2Å; L439-A442 PolarHBondContact O-N 3.24Å; A442-A444 VanDerWaalsContact C-N 3.35Å; A442-A444 PolarHBondContact O-N 3.33Å; A442-V445 PolarHBondContact O-N 3.35Å; A442-L446 PolarHBondContact O-N 3.48Å; A442-I504 HydrophobicContact CB-CG2 3.49Å; A442-I504 VanDerWaalsContact CB-CG2 3.49Å; A442-W508 HydrophobicContact CB-CH2 4.04Å; A442-W508 HydrophobicContact CB-CZ3 4.11Å; A442-I535 HydrophobicContact CB-CD1 4.05Å; A442-I535 HydrophobicContact CB-CG1 4.46Å; A442-I535 HydrophobicContact CB-CG2 4.01Å
443H97.4Very high95.9Very high7 Ų719.3 Ų19.33%0.03210%0.104CC..Hα-helixtrans-59.9-44.4172.3178.6-84.5000111.9Y383 W408 Q410 L439 A441 V445 G447Y383-H443 PolarHBondContact OH-O 2.88Å; W408-H443 PolarHBondContact O-CE1 2.78Å; W408-H443 PolarHBondContact O-NE2 3.07Å; Q410-H443 PolarHBondContact O-CD2 3.1Å; L439-H443 PolarHBondContact O-N 2.86Å; A441-H443 VanDerWaalsContact C-N 3.31Å; A441-H443 PolarHBondContact O-N 3.42Å; H443-V445 VanDerWaalsContact C-N 3.27Å; H443-V445 PolarHBondContact O-N 3.25Å; H443-G447 VanDerWaalsContact CA-O 3.3Å; H443-G447 WeakPolarHBondContact CA-O 3.32Å; H443-G447 PolarHBondContact CD2-O 3Å; H443-G447 WeakPolarHBondContact O-CA 3.46Å; H443-G447 PolarHBondContact O-N 3.26Å
444A96.4Very high96.2Very high23 Ų2314.3 Ų14.319%0.198%0.083CC..Hα-helixtrans-60.7-34.9175.800000112.8Y383 A440 A441 A442 R633Y383-A444 VanDerWaalsContact OH-C 3.31Å; Y383-A444 WeakPolarHBondContact OH-CA 3.42Å; Y383-A444 PolarHBondContact OH-O 3.19Å; A440-A444 PolarHBondContact O-N 3.17Å; A441-A444 WeakPolarHBondContact O-CB 3.44Å; A441-A444 PolarHBondContact O-N 3.45Å; A441-A444 VanDerWaalsContact O-N 3.13Å; A442-A444 VanDerWaalsContact C-N 3.35Å; A442-A444 PolarHBondContact O-N 3.33Å; A444-R633 PolarHBondContact O-NH2 2.82Å
445V96.8Very high96.5Very high9 Ų914.1 Ų14.16%0.0558%0.082CC..Hα-helixtrans-82.1-51.1-178.5177.90000111.6A441 A442 H443 L531 I534 I535 I629 R633A441-V445 WeakPolarHBondContact O-CG2 3.38Å; A441-V445 PolarHBondContact O-N 3.02Å; A442-V445 PolarHBondContact O-N 3.35Å; H443-V445 VanDerWaalsContact C-N 3.27Å; H443-V445 PolarHBondContact O-N 3.25Å; V445-L531 HydrophobicContact CG1-CD2 4.23Å; V445-I534 HydrophobicContact CG1-CG2 4.12Å; V445-I534 HydrophobicContact CG2-CG2 4.01Å; V445-I535 HydrophobicContact CB-CG1 4.32Å; V445-I535 HydrophobicContact CG2-CG1 4.19Å; V445-I629 HydrophobicContact CG1-CD1 4.08Å; V445-I629 HydrophobicContact CG1-CG2 4.18Å; V445-R633 PolarHBondContact O-NE 2.86Å; V445-R633 PolarHBondContact O-NH2 2.8Å
446L96.4Very high96.6Very high6 Ų614.2 Ų14.23%0.0318%0.082CC..Hα-helixtrans-109.7-14.3-167.8-62.8172000114.5A442 W508 F509 L531 F632A442-L446 PolarHBondContact O-N 3.48Å; L446-W508 HydrophobicContact CB-CD2 4Å; L446-W508 HydrophobicContact CB-CG 4.34Å; L446-W508 HydrophobicContact CB-CH2 4.46Å; L446-W508 HydrophobicContact CB-CZ2 3.84Å; L446-W508 HydrophobicContact CD1-CB 4.23Å; L446-W508 HydrophobicContact CD1-CD2 3.56Å; L446-W508 HydrophobicContact CD1-CE3 3.61Å; L446-W508 HydrophobicContact CD1-CG 3.87Å; L446-W508 HydrophobicContact CD1-CZ3 4.16Å; L446-W508 HydrophobicContact CG-CD2 4.42Å; L446-F509 HydrophobicContact CD2-CE2 4.22Å; L446-L531 HydrophobicContact CD1-CD1 4.1Å; L446-L531 HydrophobicContact CD2-CD1 4.33Å; L446-L531 HydrophobicContact CD2-CD2 4.09Å; L446-F632 HydrophobicContact CD2-CB 4.36Å
447G95.1Very high96.7Very high10 Ų1012.2 Ų12.210%0.1037%0.069CC..  trans94.6-141.1-178.500000113.2H443 H449H443-G447 VanDerWaalsContact CA-O 3.3Å; H443-G447 WeakPolarHBondContact CA-O 3.32Å; H443-G447 PolarHBondContact CD2-O 3Å; H443-G447 WeakPolarHBondContact O-CA 3.46Å; H443-G447 PolarHBondContact O-N 3.26Å; G447-H449 PolarHBondContact O-N 3.39Å
448V95.6Very high96.8Very high13 Ų137.9 Ų7.98%0.0795%0.053CC..SBendtrans-56.9122.2-175.1175.90000110.5F402 A407 W408 W508F402-V448 HydrophobicContact CD1-CB 3.97Å; F402-V448 HydrophobicContact CD1-CG1 4.42Å; F402-V448 HydrophobicContact CE1-CB 4.16Å; A407-V448 HydrophobicContact CB-CG1 3.84Å; W408-V448 HydrophobicContact CB-CG2 4.41Å; W408-V448 VanDerWaalsContact CD1-CG2 3.5Å; W408-V448 HydrophobicContact CG-CG2 4.05Å; V448-W508 VanDerWaalsContact O-CZ2 3.31Å; V448-W508 WeakPolarHBondContact O-CZ2 3.39Å; V448-W508 PolarHBondContact O-NE1 3.44Å
449H96.4Very high96.6Very high7 Ų77.9 Ų7.93%0.0325%0.053CC..  trans-58.8134.6169.5-169.5-84.4000108.2R401 V413 G447 F451 S507 W508R401-H449 PolarHBondContact NH1-O 3.03Å; V413-H449 HydrophobicContact CG1-CB 3.69Å; G447-H449 PolarHBondContact O-N 3.39Å; H449-F451 PolarHBondContact ND1-N 2.66Å; H449-F451 PolarHBondContact ND1-O 2.74Å; H449-S507 PolarHBondContact NE2-OG 3.37Å; H449-W508 VanDerWaalsContact CA-CZ2 3.49Å; H449-W508 HydrophobicContact CB-CH2 4.22Å; H449-W508 HydrophobicContact CB-CZ2 4.41Å; H449-W508 AromaticContact CD2-CH2 3.74Å; H449-W508 AromaticContact CD2-CZ3 3.95Å
450P94.3Very high96.4Very high5 Ų57.8 Ų7.83%0.0325%0.052CC..SBendtrans-74-34.7-172.5-21.335.8000113.6R401 F402 S507 W508 V512R401-P450 PolarHBondContact NH1-O 2.98Å; F402-P450 HydrophobicContact CE2-CB 4.03Å; F402-P450 HydrophobicContact CE2-CG 4.31Å; F402-P450 HydrophobicContact CZ-CB 4.17Å; F402-P450 HydrophobicContact CZ-CG 3.94Å; P450-S507 WeakPolarHBondContact CG-O 3.42Å; P450-W508 HydrophobicContact CG-CD2 4.03Å; P450-W508 HydrophobicContact CG-CG 4.05Å; P450-V512 HydrophobicContact CB-CB 4.17Å; P450-V512 HydrophobicContact CB-CG1 4.4Å; P450-V512 HydrophobicContact CB-CG2 3.42Å; P450-V512 VanDerWaalsContact CB-CG2 3.42Å; P450-V512 HydrophobicContact CG-CB 4.41Å; P450-V512 HydrophobicContact CG-CG2 4.08Å
451F95.3Very high96Very high1 Ų17.2 Ų7.20%0.0045%0.048CC..SBendtrans-98.1141.3-177.8-54.2-58.3000114.3M294 M296 R401 H449 R453 P471 H472 L511 V512M294-F451 HydrophobicContact CE-CD1 4.11Å; M294-F451 HydrophobicContact CE-CE1 3.66Å; M296-F451 HydrophobicContact CE-CD1 4.4Å; M296-F451 HydrophobicContact CE-CE1 3.49Å; M296-F451 VanDerWaalsContact CE-CE1 3.49Å; M296-F451 HydrophobicContact CE-CZ 4.19Å; M296-F451 HydrophobicContact SD-CE1 4.5Å; R401-F451 PolarHBondContact NH1-O 2.79Å; H449-F451 PolarHBondContact ND1-N 2.66Å; H449-F451 PolarHBondContact ND1-O 2.74Å; F451-R453 PolarHBondContact O-N 2.93Å; F451-P471 HydrophobicContact CD1-CB 4.31Å; F451-P471 HydrophobicContact CE1-CB 3.92Å; F451-P471 HydrophobicContact CE2-CB 4.38Å; F451-P471 HydrophobicContact CZ-CB 3.93Å; F451-P471 HydrophobicContact CZ-CG 4.34Å; F451-H472 AromaticContact CD1-CE1 3.94Å; F451-H472 AromaticContact CD1-NE2 3.66Å; F451-L511 HydrophobicContact CE2-CB 3.99Å; F451-L511 HydrophobicContact CE2-CD1 3.72Å; F451-L511 HydrophobicContact CZ-CB 3.84Å; F451-L511 HydrophobicContact CZ-CD1 4.23Å; F451-V512 HydrophobicContact CE1-CG2 3.79Å; F451-V512 HydrophobicContact CE2-CG2 4.22Å; F451-V512 HydrophobicContact CZ-CG2 3.47Å; F451-V512 VanDerWaalsContact CZ-CG2 3.47Å
452P93.8Very high95.6Very high36 Ų367.2 Ų7.223%0.2345%0.048CC..SBendtrans-66.3-20-174.326.4-35.9000114.4E272 P414E272-P452 HydrophobicContact CB-CG 4.17Å; E272-P452 HydrophobicContact CG-CG 4.2Å; P414-P452 WeakPolarHBondContact CD-O 3.34Å
453R95.1Very high95.2Very high14 Ų147.4 Ų7.45%0.0535%0.049CC..  trans-149.9165.6178.270.4-176.2-173.590.54.6111G271 E272 E273 P414 R416 F451 D455 H472G271-R453 VanDerWaalsContact O-CZ 3.24Å; G271-R453 PolarHBondContact O-NE 3.26Å; G271-R453 VanDerWaalsContact O-NE 3.1Å; G271-R453 PolarHBondContact O-NH2 3.28Å; E272-R453 WeakPolarHBondContact O-CD 3.42Å; E272-R453 WeakPolarHBondContact O-CG 3.42Å; E272-R453 PolarHBondContact O-NE 3.01Å; E273-R453 VanDerWaalsContact C-NE 3.3Å; E273-R453 PolarHBondContact O-NE 3.23Å; E273-R453 PolarHBondContact O-NH2 3.37Å; P414-R453 HydrophobicContact CB-CB 4.18Å; P414-R453 CarbonylContact O-C 3.51Å; P414-R453 VanDerWaalsContact O-CA 3.22Å; P414-R453 WeakPolarHBondContact O-CA 3.4Å; R416-R453 VanDerWaalsContact NH2-NH1 3.18Å; F451-R453 PolarHBondContact O-N 2.93Å; R453-D455 IonicContact CZ-OD2 3.3Å; R453-D455 IonicContact NH1-OD1 3.71Å; R453-D455 PolarHBondContact NH1-OD1 3.2Å; R453-D455 IonicContact NH1-OD2 2.56Å; R453-D455 PolarHBondContact NH1-OD2 3.43Å; R453-H472 HydrophobicContact CG-CB 4.24Å; R453-H472 WeakPolarHBondContact O-CA 3.03Å
454L97.2Very high94.6Very high1 Ų19.5 Ų9.51%0.0057%0.065CC..EExtended strand (participates in β ladder)trans-143111.2175.5-172.765000111.6V413 P414 H415 R416 L435 L439 I474 I504V413-L454 HydrophobicContact CG2-CB 4.22Å; P414-L454 PolarHBondContact O-N 3.42Å; H415-L454 WeakPolarHBondContact CA-O 3.38Å; H415-L454 WeakPolarHBondContact CB-O 3.41Å; R416-L454 PolarHBondContact N-O 2.83Å; L435-L454 HydrophobicContact CD1-CD2 4.32Å; L439-L454 HydrophobicContact CD2-CD2 3.83Å; L454-I474 HydrophobicContact CD1-CD1 3.77Å; L454-I474 HydrophobicContact CD1-CG1 3.89Å; L454-I474 HydrophobicContact CD2-CD1 3.79Å; L454-I474 HydrophobicContact CG-CD1 4.08Å; L454-I504 HydrophobicContact CD2-CG1 4.02Å
455D97.6Very high94.3Very high1 Ų110.4 Ų10.41%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-89153.2167.8-68.2-16000111R416 F418 R453 H472 I473 I474R416-D455 WeakPolarHBondContact CB-OD1 3.31Å; R416-D455 IonicContact CZ-OD1 2.78Å; R416-D455 IonicContact CZ-OD2 3.7Å; R416-D455 IonicContact NE-OD1 3.22Å; R416-D455 PolarHBondContact NE-OD1 2.59Å; R416-D455 IonicContact NE-OD2 3.51Å; R416-D455 IonicContact NH2-OD1 2.9Å; R416-D455 PolarHBondContact NH2-OD1 2.75Å; R416-D455 IonicContact NH2-OD2 3.23Å; R416-D455 PolarHBondContact NH2-OD2 3.24Å; R416-D455 CarbonylContact O-C 3.59Å; R416-D455 WeakPolarHBondContact O-CA 3.25Å; F418-D455 HydrophobicContact CE2-CB 4.46Å; R453-D455 IonicContact CZ-OD2 3.3Å; R453-D455 IonicContact NH1-OD1 3.71Å; R453-D455 PolarHBondContact NH1-OD1 3.2Å; R453-D455 IonicContact NH1-OD2 2.56Å; R453-D455 PolarHBondContact NH1-OD2 3.43Å; D455-H472 PolarHBondContact N-O 3.19Å; D455-I473 HydrophobicContact CB-CB 4.31Å; D455-I473 HydrophobicContact CB-CD1 4.27Å; D455-I473 HydrophobicContact CB-CG1 4.03Å; D455-I473 CarbonylContact O-C 3.47Å; D455-I473 VanDerWaalsContact O-CA 3.3Å; D455-I473 WeakPolarHBondContact O-CA 3.39Å; D455-I474 PolarHBondContact O-N 3.28Å
456V98.2Very high94.1Very high1 Ų111.7 Ų11.71%0.0068%0.076CC..EExtended strand (participates in β ladder)trans-126.5127.4169.8-178.20000108.6R416 V417 F418 I431 L435 I474 L476R416-V456 PolarHBondContact O-N 3.01Å; V417-V456 CarbonylContact C-O 3.56Å; V417-V456 WeakPolarHBondContact CA-O 3.32Å; V417-V456 HydrophobicContact CG1-CB 4.45Å; V417-V456 HydrophobicContact CG2-CB 4.28Å; F418-V456 PolarHBondContact N-O 2.82Å; I431-V456 HydrophobicContact CG2-CG1 4.1Å; L435-V456 HydrophobicContact CD1-CG2 4.36Å; L435-V456 HydrophobicContact CD2-CG2 3.78Å; V456-I474 CarbonylContact C-O 3.52Å; V456-I474 WeakPolarHBondContact CA-O 3.3Å; V456-I474 HydrophobicContact CG2-CB 4.41Å; V456-L476 HydrophobicContact CG1-CB 4.45Å; V456-L476 HydrophobicContact CG1-CD1 3.58Å; V456-L476 HydrophobicContact CG1-CG 3.92Å
457L98Very high94Very high0 Ų011.7 Ų11.70%08%0.077CC..EExtended strand (participates in β ladder)trans-113126.2174.5174.762.6000109.8L268 A304 W308 F418 V459 I474 F475 L476L268-L457 HydrophobicContact CD1-CB 4.29Å; L268-L457 HydrophobicContact CD1-CD1 4.04Å; L268-L457 HydrophobicContact CD1-CD2 4.24Å; L268-L457 HydrophobicContact CD1-CG 4.42Å; A304-L457 HydrophobicContact CB-CD2 3.53Å; W308-L457 HydrophobicContact CB-CD1 4.34Å; W308-L457 HydrophobicContact CD2-CD1 3.63Å; W308-L457 HydrophobicContact CE3-CD1 4.18Å; W308-L457 HydrophobicContact CG-CD1 3.67Å; W308-L457 HydrophobicContact CH2-CD2 4.2Å; W308-L457 HydrophobicContact CZ2-CD1 4.46Å; W308-L457 HydrophobicContact CZ2-CD2 4.19Å; W308-L457 HydrophobicContact CZ3-CD2 4.34Å; F418-L457 HydrophobicContact CB-CD1 3.82Å; L457-V459 HydrophobicContact CD2-CG1 4.09Å; L457-V459 HydrophobicContact CG-CG1 4.12Å; L457-V459 PolarHBondContact O-N 3.05Å; L457-I474 PolarHBondContact N-O 3.07Å; L457-F475 HydrophobicContact CB-CD1 3.88Å; L457-F475 HydrophobicContact CB-CE1 4.14Å; L457-F475 HydrophobicContact CD2-CD1 4.03Å; L457-F475 HydrophobicContact CD2-CE1 3.67Å; L457-F475 HydrophobicContact CD2-CZ 4.25Å; L457-F475 HydrophobicContact CG-CD1 4.4Å; L457-F475 HydrophobicContact CG-CE1 4.47Å; L457-F475 WeakPolarHBondContact O-CA 3.47Å; L457-L476 PolarHBondContact O-N 3.07Å
458I97.6Very high94Very high0 Ų012.4 Ų12.40%08%0.078CC..EExtended strand (participates in β ladder)trans-77.8110165.6-51.8-54000108.3F418 L423 A427 I431 L476 Q478 L481F418-I458 PolarHBondContact O-N 2.89Å; L423-I458 HydrophobicContact CD1-CG2 3.82Å; A427-I458 HydrophobicContact CB-CG1 4.32Å; I431-I458 HydrophobicContact CG1-CD1 4.28Å; I458-L476 WeakPolarHBondContact CA-O 3.48Å; I458-L476 HydrophobicContact CD1-CB 4.06Å; I458-Q478 HydrophobicContact CG2-CB 4.29Å; I458-L481 HydrophobicContact CD1-CD2 4.23Å; I458-L481 HydrophobicContact CG2-CD1 4.13Å
459V95.1Very high94Very high0 Ų012.6 Ų12.60%08%0.08CC..  trans-83.3164-177.2-70.40000111.8Q224 L457 F463 F475 L476Q224-V459 PolarHBondContact NE2-O 3.15Å; L457-V459 HydrophobicContact CD2-CG1 4.09Å; L457-V459 HydrophobicContact CG-CG1 4.12Å; L457-V459 PolarHBondContact O-N 3.05Å; V459-F463 HydrophobicContact CB-CB 4.38Å; V459-F463 HydrophobicContact CB-CG 4.43Å; V459-F463 HydrophobicContact CG2-CB 3.58Å; V459-F463 HydrophobicContact CG2-CD1 3.4Å; V459-F463 HydrophobicContact CG2-CD2 4.14Å; V459-F463 HydrophobicContact CG2-CE1 4.08Å; V459-F463 HydrophobicContact CG2-CG 3.44Å; V459-F463 VanDerWaalsContact CG2-CG 3.44Å; V459-F475 HydrophobicContact CG1-CB 3.65Å; V459-F475 HydrophobicContact CG1-CD1 4.05Å; V459-F475 HydrophobicContact CG1-CD2 3.76Å; V459-F475 HydrophobicContact CG1-CE2 4.43Å; V459-F475 HydrophobicContact CG1-CG 3.55Å; V459-F475 HydrophobicContact CG2-CB 4.41Å; V459-L476 WeakPolarHBondContact CG2-O 3.08Å; V459-L476 PolarHBondContact N-O 2.88Å
460P93.8Very high93.9Very high1 Ų112.5 Ų12.51%0.0068%0.081CC..  trans-51.7157.7175.9-32.840.2000115.1T221 K222 C229 Y231 G462 F463T221-P460 HydrophobicContact CG2-CB 3.72Å; T221-P460 HydrophobicContact CG2-CG 3.6Å; K222-P460 WeakPolarHBondContact O-CB 3.37Å; C229-P460 WeakPolarHBondContact SG-CG 3.45Å; Y231-P460 HydrophobicContact CD1-CG 4.2Å; Y231-P460 HydrophobicContact CE1-CB 4.33Å; Y231-P460 HydrophobicContact CE1-CG 3.83Å; P460-G462 VanDerWaalsContact C-N 3.26Å; P460-G462 PolarHBondContact O-N 3.22Å; P460-F463 WeakPolarHBondContact O-CB 3.37Å; P460-F463 PolarHBondContact O-N 2.88Å; P460-F463 VanDerWaalsContact O-N 3.15Å
461A89.9Confident94Very high12 Ų1212.2 Ų12.210%0.0998%0.079CC..THydrogen-bonded Turntrans-58-34.6-175.200000114F463 Q800A461-F463 PolarHBondContact O-N 3.09Å; A461-Q800 WeakPolarHBondContact O-CB 3.45Å
462G88.6Confident94Very high4 Ų412.3 Ų12.34%0.0418%0.079CC..THydrogen-bonded Turntrans-76.85.3-179.500000115.6P460 S464 E832 D834P460-G462 VanDerWaalsContact C-N 3.26Å; P460-G462 PolarHBondContact O-N 3.22Å; G462-S464 PolarHBondContact O-N 3.05Å; G462-E832 WeakPolarHBondContact CA-O 3.48Å; G462-D834 PolarHBondContact O-N 3.11Å
463F90.9Very high94.2Very high5 Ų510.6 Ų10.62%0.0227%0.068CC..  trans-64.4122.7172.6-174.6-119.2000110.5Y231 V459 P460 A461 S465 M468 F475 A801Y231-F463 AromaticContact CE2-CD2 3.75Å; Y231-F463 HydrophobicContact CE2-CD2 3.75Å; Y231-F463 HydrophobicContact CE2-CE2 4.23Å; V459-F463 HydrophobicContact CB-CB 4.38Å; V459-F463 HydrophobicContact CB-CG 4.43Å; V459-F463 HydrophobicContact CG2-CB 3.58Å; V459-F463 HydrophobicContact CG2-CD1 3.4Å; V459-F463 HydrophobicContact CG2-CD2 4.14Å; V459-F463 HydrophobicContact CG2-CE1 4.08Å; V459-F463 HydrophobicContact CG2-CG 3.44Å; V459-F463 VanDerWaalsContact CG2-CG 3.44Å; P460-F463 WeakPolarHBondContact O-CB 3.37Å; P460-F463 PolarHBondContact O-N 2.88Å; P460-F463 VanDerWaalsContact O-N 3.15Å; A461-F463 PolarHBondContact O-N 3.09Å; F463-S465 WeakPolarHBondContact CD1-O 3.46Å; F463-S465 VanDerWaalsContact CE1-O 3.28Å; F463-S465 WeakPolarHBondContact CE1-O 3.42Å; F463-S465 PolarHBondContact O-N 2.93Å; F463-M468 HydrophobicContact CZ-CB 3.86Å; F463-F475 HydrophobicContact CZ-CB 4.5Å; F463-A801 WeakPolarHBondContact O-CB 3.49Å
464S85.2Confident94.3Very high51 Ų5110 Ų1036%0.3577%0.066SC..SBendtrans-75.7-19.2-170.243.70000114.6G462 D834G462-S464 PolarHBondContact O-N 3.05Å; S464-D834 PolarHBondContact OG-OD2 3.17Å
465S89.8Confident94.3Very high41 Ų4110 Ų1029%0.2877%0.066SC..SBendtrans-103.3162.7176.8-178.30000111.8F463 G467 S477 A801F463-S465 WeakPolarHBondContact CD1-O 3.46Å; F463-S465 VanDerWaalsContact CE1-O 3.28Å; F463-S465 WeakPolarHBondContact CE1-O 3.42Å; F463-S465 PolarHBondContact O-N 2.93Å; S465-G467 VanDerWaalsContact C-N 3.33Å; S465-G467 WeakPolarHBondContact CB-O 3.28Å; S465-G467 PolarHBondContact OG-N 2.93Å; S465-G467 PolarHBondContact OG-O 2.87Å; S465-S477 WeakPolarHBondContact O-CB 3.44Å; S465-A801 WeakPolarHBondContact O-CB 3.18Å
466L93.1Very high94.3Very high37 Ų3710.1 Ų10.119%0.1947%0.067CC..SBendtrans-73.6-28.3168.5-70.1177.6000112.4S477 V480 R499 A801 M802L466-S477 PolarHBondContact O-N 2.93Å; L466-V480 HydrophobicContact CB-CG2 4.2Å; L466-V480 HydrophobicContact CD2-CG2 4.09Å; L466-V480 WeakPolarHBondContact O-CG2 3.1Å; L466-R499 HydrophobicContact CB-CG 4.31Å; L466-A801 HydrophobicContact CD2-CB 4.09Å; L466-M802 HydrophobicContact CD2-CG 3.81Å; L466-M802 HydrophobicContact CD2-SD 3.98Å
467G94.4Very high94.1Very high5 Ų510 Ų105%0.0527%0.066CC..EExtended strand (participates in β ladder)trans-166.6166.817600000112.8S465 F475 E503S465-G467 VanDerWaalsContact C-N 3.33Å; S465-G467 WeakPolarHBondContact CB-O 3.28Å; S465-G467 PolarHBondContact OG-N 2.93Å; S465-G467 PolarHBondContact OG-O 2.87Å; G467-F475 CarbonylContact C-O 3.57Å; G467-F475 WeakPolarHBondContact CA-O 3.48Å; G467-E503 VanDerWaalsContact C-OE1 3.26Å; G467-E503 WeakPolarHBondContact CA-OE1 3.37Å
468M94.4Very high93.9Very high26 Ų2611.2 Ų11.213%0.1287%0.072CC..EExtended strand (participates in β ladder)trans-149.4119.3173.9179.6-175.678.200108.9T302 F463 F475T302-M468 HydrophobicContact CG2-CE 4.37Å; F463-M468 HydrophobicContact CZ-CB 3.86Å; M468-F475 HydrophobicContact CB-CB 4.44Å; M468-F475 HydrophobicContact CE-CD2 3.51Å; M468-F475 HydrophobicContact CE-CE2 3.87Å; M468-F475 HydrophobicContact CE-CG 4.26Å; M468-F475 PolarHBondContact N-O 3.23Å; M468-F475 PolarHBondContact O-N 2.73Å
469A95.2Very high93.6Very high16 Ų1611.2 Ų11.213%0.1327%0.072CC..EExtended strand (participates in β ladder)trans-83.2137.1174.900000111.2E503 H506 L511A469-E503 WeakPolarHBondContact CB-OE2 2.97Å; A469-E503 PolarHBondContact N-OE2 2.82Å; A469-H506 HydrophobicContact CB-CB 3.47Å; A469-H506 VanDerWaalsContact CB-CB 3.47Å; A469-L511 HydrophobicContact CB-CD1 4.31Å
470S95.4Very high93.4Very high5 Ų511.3 Ų11.34%0.0357%0.072CC..EExtended strand (participates in β ladder)trans-136.9161.9166.8-75.80000108.5T302 H472 I473T302-S470 PolarHBondContact OG1-OG 3.45Å; S470-H472 PolarHBondContact O-N 3.17Å; S470-H472 VanDerWaalsContact O-N 3.14Å; S470-I473 CarbonylContact C-O 3.58Å; S470-I473 WeakPolarHBondContact CA-O 3.23Å; S470-I473 PolarHBondContact N-O 3.26Å; S470-I473 PolarHBondContact O-N 3.19Å; S470-I473 VanDerWaalsContact O-N 3.15Å
471P94.8Very high93.2Very high0 Ų011.7 Ų11.70%07%0.074CC..THydrogen-bonded Turntrans-55.2126.9177.3-22.432.9000109.5S270 M296 T300 F451 I473 L511S270-P471 WeakPolarHBondContact CA-O 3.5Å; S270-P471 WeakPolarHBondContact CB-O 3.48Å; M296-P471 HydrophobicContact CE-CB 4.05Å; M296-P471 HydrophobicContact CE-CG 4.12Å; M296-P471 HydrophobicContact SD-CB 3.81Å; M296-P471 HydrophobicContact SD-CG 3.23Å; M296-P471 WeakPolarHBondContact SD-CG 3.47Å; T300-P471 HydrophobicContact CG2-CG 4.45Å; T300-P471 VanDerWaalsContact O-CD 3.32Å; T300-P471 WeakPolarHBondContact O-CD 3.02Å; F451-P471 HydrophobicContact CD1-CB 4.31Å; F451-P471 HydrophobicContact CE1-CB 3.92Å; F451-P471 HydrophobicContact CE2-CB 4.38Å; F451-P471 HydrophobicContact CZ-CB 3.93Å; F451-P471 HydrophobicContact CZ-CG 4.34Å; P471-I473 PolarHBondContact O-N 3.33Å; P471-I473 VanDerWaalsContact O-N 3.12Å; P471-L511 HydrophobicContact CG-CD2 4.29Å
472H96.3Very high92.5Very high2 Ų212 Ų121%0.0098%0.075CC..THydrogen-bonded Turntrans68.8-5.9178.6-37.591.6000116.8G271 E272 F451 R453 D455 S470G271-H472 VanDerWaalsContact C-CG 3.48Å; G271-H472 PolarHBondContact N-ND1 3.16Å; G271-H472 VanDerWaalsContact O-CB 3.23Å; G271-H472 WeakPolarHBondContact O-CB 3.35Å; G271-H472 PolarHBondContact O-ND1 3.02Å; E272-H472 WeakPolarHBondContact CG-NE2 3.38Å; F451-H472 AromaticContact CD1-CE1 3.94Å; F451-H472 AromaticContact CD1-NE2 3.66Å; R453-H472 HydrophobicContact CG-CB 4.24Å; R453-H472 WeakPolarHBondContact O-CA 3.03Å; D455-H472 PolarHBondContact N-O 3.19Å; S470-H472 PolarHBondContact O-N 3.17Å; S470-H472 VanDerWaalsContact O-N 3.14Å
473I97.2Very high91.6Very high0 Ų014.5 Ų14.50%09%0.085CC..EExtended strand (participates in β ladder)trans-148.6135.8-178.7-171.5162.1000112.7L268 T302 D455 S470 P471 F475L268-I473 HydrophobicContact CB-CD1 3.68Å; L268-I473 HydrophobicContact CD1-CD1 4.39Å; T302-I473 HydrophobicContact CG2-CG2 4.24Å; D455-I473 HydrophobicContact CB-CB 4.31Å; D455-I473 HydrophobicContact CB-CD1 4.27Å; D455-I473 HydrophobicContact CB-CG1 4.03Å; D455-I473 CarbonylContact O-C 3.47Å; D455-I473 VanDerWaalsContact O-CA 3.3Å; D455-I473 WeakPolarHBondContact O-CA 3.39Å; S470-I473 CarbonylContact C-O 3.58Å; S470-I473 WeakPolarHBondContact CA-O 3.23Å; S470-I473 PolarHBondContact N-O 3.26Å; S470-I473 PolarHBondContact O-N 3.19Å; S470-I473 VanDerWaalsContact O-N 3.15Å; P471-I473 PolarHBondContact O-N 3.33Å; P471-I473 VanDerWaalsContact O-N 3.12Å; I473-F475 HydrophobicContact CD1-CD1 4.36Å; I473-F475 HydrophobicContact CD1-CE1 3.76Å; I473-F475 HydrophobicContact CG1-CD1 4.21Å; I473-F475 HydrophobicContact CG1-CE1 4.04Å
474I97.7Very high90.2Very high3 Ų318.2 Ų18.22%0.01510%0.103CC..EExtended strand (participates in β ladder)trans-112.4131.3172.4-64.8163.6000108.8L454 D455 V456 L457 L476 E503 I504L454-I474 HydrophobicContact CD1-CD1 3.77Å; L454-I474 HydrophobicContact CD1-CG1 3.89Å; L454-I474 HydrophobicContact CD2-CD1 3.79Å; L454-I474 HydrophobicContact CG-CD1 4.08Å; D455-I474 PolarHBondContact O-N 3.28Å; V456-I474 CarbonylContact C-O 3.52Å; V456-I474 WeakPolarHBondContact CA-O 3.3Å; V456-I474 HydrophobicContact CG2-CB 4.41Å; L457-I474 PolarHBondContact N-O 3.07Å; I474-L476 HydrophobicContact CG2-CD2 3.83Å; I474-L476 HydrophobicContact CG2-CG 3.85Å; I474-E503 HydrophobicContact CB-CB 4.43Å; I474-E503 HydrophobicContact CD1-CB 3.61Å; I474-E503 HydrophobicContact CG1-CB 3.91Å; I474-E503 HydrophobicContact CG2-CB 3.6Å; I474-E503 HydrophobicContact CG2-CG 3.62Å; I474-I504 HydrophobicContact CD1-CG1 4.35Å
475F97.7Very high88.3Confident1 Ų117.4 Ų17.40%0.00410%0.097CC..EExtended strand (participates in β ladder)trans-90.6132.8164-70-2.9000109.1Y231 T302 A304 L457 V459 F463 G467 M468 I473Y231-F475 HydrophobicContact CD2-CD2 4.35Å; Y231-F475 HydrophobicContact CD2-CE2 4.1Å; Y231-F475 HydrophobicContact CG-CE2 4.43Å; T302-F475 HydrophobicContact CG2-CE1 3.86Å; T302-F475 HydrophobicContact CG2-CE2 3.61Å; T302-F475 HydrophobicContact CG2-CZ 3.22Å; A304-F475 HydrophobicContact CB-CE1 4.14Å; A304-F475 HydrophobicContact CB-CZ 3.71Å; L457-F475 HydrophobicContact CB-CD1 3.88Å; L457-F475 HydrophobicContact CB-CE1 4.14Å; L457-F475 HydrophobicContact CD2-CD1 4.03Å; L457-F475 HydrophobicContact CD2-CE1 3.67Å; L457-F475 HydrophobicContact CD2-CZ 4.25Å; L457-F475 HydrophobicContact CG-CD1 4.4Å; L457-F475 HydrophobicContact CG-CE1 4.47Å; L457-F475 WeakPolarHBondContact O-CA 3.47Å; V459-F475 HydrophobicContact CG1-CB 3.65Å; V459-F475 HydrophobicContact CG1-CD1 4.05Å; V459-F475 HydrophobicContact CG1-CD2 3.76Å; V459-F475 HydrophobicContact CG1-CE2 4.43Å; V459-F475 HydrophobicContact CG1-CG 3.55Å; V459-F475 HydrophobicContact CG2-CB 4.41Å; F463-F475 HydrophobicContact CZ-CB 4.5Å; G467-F475 CarbonylContact C-O 3.57Å; G467-F475 WeakPolarHBondContact CA-O 3.48Å; M468-F475 HydrophobicContact CB-CB 4.44Å; M468-F475 HydrophobicContact CE-CD2 3.51Å; M468-F475 HydrophobicContact CE-CE2 3.87Å; M468-F475 HydrophobicContact CE-CG 4.26Å; M468-F475 PolarHBondContact N-O 3.23Å; M468-F475 PolarHBondContact O-N 2.73Å; I473-F475 HydrophobicContact CD1-CD1 4.36Å; I473-F475 HydrophobicContact CD1-CE1 3.76Å; I473-F475 HydrophobicContact CG1-CD1 4.21Å; I473-F475 HydrophobicContact CG1-CE1 4.04Å
476L96.9Very high85.8Confident2 Ų221.4 Ų21.41%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-126.3134175.8-71.2-177.7000110.6I431 V456 L457 I458 V459 I474 R499 I500 E503I431-L476 HydrophobicContact CD1-CD1 4.03Å; I431-L476 HydrophobicContact CG2-CD1 4.45Å; V456-L476 HydrophobicContact CG1-CB 4.45Å; V456-L476 HydrophobicContact CG1-CD1 3.58Å; V456-L476 HydrophobicContact CG1-CG 3.92Å; L457-L476 PolarHBondContact O-N 3.07Å; I458-L476 WeakPolarHBondContact CA-O 3.48Å; I458-L476 HydrophobicContact CD1-CB 4.06Å; V459-L476 WeakPolarHBondContact CG2-O 3.08Å; V459-L476 PolarHBondContact N-O 2.88Å; I474-L476 HydrophobicContact CG2-CD2 3.83Å; I474-L476 HydrophobicContact CG2-CG 3.85Å; L476-R499 HydrophobicContact CD2-CG 4.26Å; L476-I500 HydrophobicContact CD1-CG1 4.1Å; L476-E503 HydrophobicContact CD2-CG 3.89Å
477S94.9Very high83.5Confident0 Ų023.4 Ų23.40%015%0.151CC..  trans-67.3148.7171.9179.70000111.3S465 L466 S479 V480S465-S477 WeakPolarHBondContact O-CB 3.44Å; L466-S477 PolarHBondContact O-N 2.93Å; S477-S479 PolarHBondContact O-N 3.04Å; S477-S479 PolarHBondContact OG-N 3.05Å; S477-S479 PolarHBondContact OG-OG 3.36Å; S477-V480 WeakPolarHBondContact O-CB 3.21Å; S477-V480 PolarHBondContact O-N 3.5Å
478Q92.5Very high81.3Confident25 Ų2525.4 Ų25.412%0.11716%0.164CC..G310 helixtrans-62.6-21.3170.771.8176.66.700113.3L423 I458 V480 L481 H798L423-Q478 HydrophobicContact CD1-CB 4.16Å; I458-Q478 HydrophobicContact CG2-CB 4.29Å; Q478-V480 PolarHBondContact O-N 2.86Å; Q478-V480 VanDerWaalsContact O-N 3.12Å; Q478-L481 HydrophobicContact CB-CD1 4.39Å; Q478-L481 VanDerWaalsContact O-CB 3.27Å; Q478-L481 WeakPolarHBondContact O-CB 3.5Å; Q478-L481 PolarHBondContact O-N 2.86Å; Q478-H798 PolarHBondContact NE2-O 3.22Å
479S92.1Very high79.3Confident0 Ų026.6 Ų26.60%018%0.183CC..G310 helixtrans-59.9-22.9176.7-50.30000112.5S477 L481 A770 D799S477-S479 PolarHBondContact O-N 3.04Å; S477-S479 PolarHBondContact OG-N 3.05Å; S477-S479 PolarHBondContact OG-OG 3.36Å; S479-L481 VanDerWaalsContact C-N 3.27Å; S479-A770 WeakPolarHBondContact O-CB 3.44Å; S479-D799 WeakPolarHBondContact CA-OD1 3.41Å; S479-D799 VanDerWaalsContact OG-CA 3.3Å; S479-D799 WeakPolarHBondContact OG-CA 3.33Å
480V91.6Very high77.4Confident1 Ų128 Ų281%0.00619%0.189CC..G310 helixtrans-76-17.6176.6-1780000111.6L466 S477 Q478 S496 R499L466-V480 HydrophobicContact CB-CG2 4.2Å; L466-V480 HydrophobicContact CD2-CG2 4.09Å; L466-V480 WeakPolarHBondContact O-CG2 3.1Å; S477-V480 WeakPolarHBondContact O-CB 3.21Å; S477-V480 PolarHBondContact O-N 3.5Å; Q478-V480 PolarHBondContact O-N 2.86Å; Q478-V480 VanDerWaalsContact O-N 3.12Å; V480-S496 PolarHBondContact O-OG 2.95Å; V480-R499 HydrophobicContact CG1-CB 4.05Å; V480-R499 HydrophobicContact CG1-CG 4.48Å; V480-R499 HydrophobicContact CG2-CB 4.47Å; V480-R499 HydrophobicContact CG2-CG 4.13Å
481L88.9Confident75.3Confident10 Ų1033.4 Ų33.45%0.05222%0.217CC..SBendtrans-83.3129-179.6-56.4177.7000111.4L423 K426 I431 I458 Q478 S479L423-L481 HydrophobicContact CB-CD1 4.48Å; L423-L481 HydrophobicContact CD1-CD1 4.07Å; L423-L481 HydrophobicContact CD2-CD1 4.47Å; K426-L481 HydrophobicContact CB-CD1 4.24Å; I431-L481 HydrophobicContact CD1-CD2 3.83Å; I431-L481 HydrophobicContact CG1-CD2 3.55Å; I458-L481 HydrophobicContact CD1-CD2 4.23Å; I458-L481 HydrophobicContact CG2-CD1 4.13Å; Q478-L481 HydrophobicContact CB-CD1 4.39Å; Q478-L481 VanDerWaalsContact O-CB 3.27Å; Q478-L481 WeakPolarHBondContact O-CB 3.5Å; Q478-L481 PolarHBondContact O-N 2.86Å; S479-L481 VanDerWaalsContact C-N 3.27Å
482C74.9Confident73.6Confident17 Ų1737 Ų3712%0.11523%0.231CC..  trans-69.7147.3175.1-54.20000111.9E484 R492 L493 D769C482-E484 PolarHBondContact O-N 2.79Å; C482-R492 PolarHBondContact SG-O 2.85Å; C482-L493 HydrophobicContact CB-CD2 4.29Å; C482-D769 PolarHBondContact SG-OD1 3.18Å
483K69.6Low72.4Confident58 Ų5837.9 Ų37.925%0.25224%0.235SC..SBendtrans-75.4-12.8-176.8-72.6-173174.7176.10114.8D794 D799K483-D794 IonicContact NZ-OD1 3.73Å; K483-D794 IonicContact NZ-OD2 3.13Å; K483-D794 PolarHBondContact NZ-OD2 3.25Å; K483-D799 IonicContact NZ-OD2 3.95Å
484E62.4Low71.5Confident83 Ų8338.3 Ų38.339%0.38824%0.237SC..  trans-126.6145.6177.7-74.3-167.4144.300114.6C482 K767C482-E484 PolarHBondContact O-N 2.79Å; E484-K767 HydrophobicContact CG-CB 4.42Å; E484-K767 HydrophobicContact CG-CD 3.76Å; E484-K767 WeakPolarHBondContact OE1-CD 3.47Å; E484-K767 WeakPolarHBondContact OE1-CE 3.37Å; E484-K767 IonicContact OE1-NZ 3.43Å; E484-K767 PolarHBondContact OE1-NZ 2.81Å
485C45Very low70.9Confident34 Ų3438.4 Ų38.423%0.2324%0.238CC..  trans-162.7130.9143.3-99.20000109.6M429M429-C485 HydrophobicContact CB-CB 4.06Å; M429-C485 HydrophobicContact CE-CB 4.08Å; M429-C485 HydrophobicContact CG-CB 3.98Å
486P37.6Very low70.5Confident124 Ų12438.3 Ų38.381%0.80524%0.238SC*.SBend-133.4146.270.420.90.6000115
487G44.2Very low70.2Confident80 Ų8038.2 Ų38.283%0.82524%0.237SC*.SBendtrans104.8-9169.700000116.6
488S47.3Very low70.1Confident47 Ų4738.9 Ų38.933%0.32924%0.242SC..  trans-74.1128.8175.6-179.30000110.8R492S488-R492 WeakPolarHBondContact OG-CB 3.44Å; S488-R492 WeakPolarHBondContact OG-CD 3.47Å; S488-R492 VanDerWaalsContact OG-CG 3.29Å; S488-R492 WeakPolarHBondContact OG-CG 3.36Å
489G53.5Low70.3Confident51 Ų5139 Ų3953%0.52624%0.241SC..  trans-64.8170.3-179.600000113.9N491 R492G489-N491 PolarHBondContact O-N 3.38Å; G489-R492 PolarHBondContact O-N 2.83Å
490L55.3Low70.5Confident46 Ų4639.1 Ų39.124%0.24124%0.242CC..G310 helixtrans-51.7-24.5-177.9-167.768.2000114.3L434 R492 L493 W536 Q540L434-L490 HydrophobicContact CD2-CD1 3.47Å; L434-L490 VanDerWaalsContact CD2-CD1 3.47Å; L490-R492 PolarHBondContact O-N 3.03Å; L490-L493 PolarHBondContact O-N 2.9Å; L490-W536 HydrophobicContact CD1-CH2 4.47Å; L490-Q540 HydrophobicContact CD2-CG 4.34Å
491N51.3Low70.8Confident118 Ų11839 Ų3963%0.63124%0.241SC*.G310 helixtrans-66-14.3-177.3-67-2.9000114.9G489 T494G489-N491 PolarHBondContact O-N 3.38Å; N491-T494 PolarHBondContact O-OG1 2.9Å; N491-T494 VanDerWaalsContact O-OG1 3.08Å
492R59.4Low71.3Confident76 Ų7638.6 Ų38.629%0.28724%0.239SC..G310 helixtrans-101.77.2176.7-62.8-155.5-173.2-134.1-8.9114.1C482 S488 G489 L490 D769C482-R492 PolarHBondContact SG-O 2.85Å; S488-R492 WeakPolarHBondContact OG-CB 3.44Å; S488-R492 WeakPolarHBondContact OG-CD 3.47Å; S488-R492 VanDerWaalsContact OG-CG 3.29Å; S488-R492 WeakPolarHBondContact OG-CG 3.36Å; G489-R492 PolarHBondContact O-N 2.83Å; L490-R492 PolarHBondContact O-N 3.03Å; R492-D769 VanDerWaalsContact O-OD1 3.09Å
493L70.6Confident72.4Confident20 Ų2037.8 Ų37.811%0.10523%0.234CC..  trans-109.830.8175.8-60175.5000110.6L434 C482 L490 G497L434-L493 HydrophobicContact CD1-CB 3.81Å; L434-L493 HydrophobicContact CD1-CD1 4.05Å; L434-L493 HydrophobicContact CD2-CD1 4.18Å; L434-L493 HydrophobicContact CG-CD1 4.18Å; C482-L493 HydrophobicContact CB-CD2 4.29Å; L490-L493 PolarHBondContact O-N 2.9Å; L493-G497 PolarHBondContact O-N 3.13Å
494T77.9Confident73.8Confident8 Ų835 Ų355%0.04922%0.222CC..Hα-helixtrans-71-45.6-169.1-59.80000111.1N491 G497 S498 E736N491-T494 PolarHBondContact O-OG1 2.9Å; N491-T494 VanDerWaalsContact O-OG1 3.08Å; T494-G497 PolarHBondContact O-N 3.44Å; T494-S498 PolarHBondContact O-N 2.8Å; T494-S498 PolarHBondContact O-OG 3.26Å; T494-S498 VanDerWaalsContact O-OG 3.12Å; T494-E736 WeakPolarHBondContact CG2-OE1 3.4Å
495L84.9Confident75.5Confident5 Ų531.1 Ų31.13%0.02620%0.203CC..Hα-helixtrans-62.4-44.5175179.560.9000111.8G497 S498 R499 D769 A770 E771L495-G497 PolarHBondContact O-N 2.9Å; L495-S498 PolarHBondContact O-OG 3.15Å; L495-R499 VanDerWaalsContact O-CB 3.31Å; L495-R499 WeakPolarHBondContact O-CB 3.43Å; L495-R499 PolarHBondContact O-N 3.31Å; L495-D769 HydrophobicContact CB-CB 4.08Å; L495-D769 HydrophobicContact CD2-CB 4.38Å; L495-D769 PolarHBondContact N-OD2 2.9Å; L495-A770 HydrophobicContact CD2-CB 3.83Å; L495-E771 HydrophobicContact CD1-CG 4.03Å; L495-E771 HydrophobicContact CD2-CG 4.38Å
496S88.9Confident78Confident0 Ų030 Ų300%020%0.195CC..Hα-helixtrans-61.9-44.8177-41.10000111.8V480 I500V480-S496 PolarHBondContact O-OG 2.95Å; S496-I500 WeakPolarHBondContact O-CB 3.45Å; S496-I500 WeakPolarHBondContact O-CD1 3.46Å; S496-I500 WeakPolarHBondContact O-CG1 3.21Å; S496-I500 PolarHBondContact O-N 3.22Å
497G91.7Very high80.8Confident0 Ų024.2 Ų24.20%016%0.157CC..Hα-helixtrans-63.2-51.7179.500000113.4L493 T494 L495 R499 I500 C501 W536L493-G497 PolarHBondContact O-N 3.13Å; T494-G497 PolarHBondContact O-N 3.44Å; L495-G497 PolarHBondContact O-N 2.9Å; G497-R499 PolarHBondContact O-N 2.94Å; G497-I500 PolarHBondContact O-N 3.26Å; G497-C501 PolarHBondContact O-N 3.25Å; G497-C501 PolarHBondContact O-SG 2.86Å; G497-W536 VanDerWaalsContact CA-CZ3 3.42Å
498S93.3Very high83.4Confident13 Ų1320.5 Ų20.59%0.09112%0.118CC..Hα-helixtrans-61.6-44.8179.4600000111.4T494 L495 C501 H502T494-S498 PolarHBondContact O-N 2.8Å; T494-S498 PolarHBondContact O-OG 3.26Å; T494-S498 VanDerWaalsContact O-OG 3.12Å; L495-S498 PolarHBondContact O-OG 3.15Å; S498-C501 WeakPolarHBondContact O-CB 3.37Å; S498-C501 PolarHBondContact O-N 3.42Å; S498-H502 PolarHBondContact O-N 3.27Å
499R95.8Very high85.7Confident27 Ų2718.2 Ų18.210%0.10210%0.103CC..Hα-helixtrans-65.7-42.8-179.6-163.265.2-124.4167.3-14.8112.2L466 L476 V480 L495 G497 C501 H502 E503 E532L466-R499 HydrophobicContact CB-CG 4.31Å; L476-R499 HydrophobicContact CD2-CG 4.26Å; V480-R499 HydrophobicContact CG1-CB 4.05Å; V480-R499 HydrophobicContact CG1-CG 4.48Å; V480-R499 HydrophobicContact CG2-CB 4.47Å; V480-R499 HydrophobicContact CG2-CG 4.13Å; L495-R499 VanDerWaalsContact O-CB 3.31Å; L495-R499 WeakPolarHBondContact O-CB 3.43Å; L495-R499 PolarHBondContact O-N 3.31Å; G497-R499 PolarHBondContact O-N 2.94Å; R499-C501 VanDerWaalsContact C-N 3.29Å; R499-C501 PolarHBondContact O-N 2.89Å; R499-H502 PolarHBondContact NH1-CD2 3.38Å; R499-H502 PolarHBondContact NH1-CE1 3.14Å; R499-H502 PolarHBondContact NH1-ND1 3.35Å; R499-H502 PolarHBondContact NH1-NE2 3.17Å; R499-H502 PolarHBondContact NH2-CD2 3.22Å; R499-H502 VanDerWaalsContact NH2-CG 3.27Å; R499-H502 PolarHBondContact NH2-NE2 2.72Å; R499-H502 WeakPolarHBondContact O-CB 3.48Å; R499-H502 PolarHBondContact O-N 3.37Å; R499-E503 IonicContact CZ-OE1 3.44Å; R499-E503 IonicContact NE-OE1 2.67Å; R499-E503 PolarHBondContact NE-OE1 3.05Å; R499-E503 IonicContact NH2-OE1 3.55Å; R499-E503 PolarHBondContact NH2-OE1 3.1Å; R499-E503 WeakPolarHBondContact O-CG 3.31Å; R499-E503 PolarHBondContact O-N 2.91Å; R499-E532 IonicContact NH1-OE2 3.44Å
500I96.8Very high87.6Confident3 Ų317 Ų172%0.0159%0.09CC..Hα-helixtrans-56.9-45173.1-71.1164.5000110.7I431 L434 L435 C438 L476 S496 G497 H502 E503 I504I431-I500 HydrophobicContact CD1-CD1 3.84Å; I431-I500 HydrophobicContact CD1-CG1 4.38Å; I431-I500 HydrophobicContact CG2-CD1 4.1Å; L434-I500 HydrophobicContact CB-CD1 4.21Å; L435-I500 HydrophobicContact CD1-CG2 3.83Å; C438-I500 HydrophobicContact CB-CG2 3.81Å; L476-I500 HydrophobicContact CD1-CG1 4.1Å; S496-I500 WeakPolarHBondContact O-CB 3.45Å; S496-I500 WeakPolarHBondContact O-CD1 3.46Å; S496-I500 WeakPolarHBondContact O-CG1 3.21Å; S496-I500 PolarHBondContact O-N 3.22Å; G497-I500 PolarHBondContact O-N 3.26Å; I500-H502 VanDerWaalsContact C-N 3.32Å; I500-H502 PolarHBondContact O-N 3.14Å; I500-E503 PolarHBondContact O-N 3.47Å; I500-I504 HydrophobicContact CG2-CD1 3.55Å; I500-I504 HydrophobicContact CG2-CG1 4.29Å; I500-I504 WeakPolarHBondContact O-CB 3.38Å; I500-I504 VanDerWaalsContact O-CG1 3.22Å; I500-I504 WeakPolarHBondContact O-CG1 3.46Å; I500-I504 PolarHBondContact O-N 3.33Å
501C98.3Very high89.4Confident0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-62.9-38.2178.7-68.80000112.6C438 G497 S498 R499 I504 A505 E532 I535 W536C438-C501 VanDerWaalsContact SG-SG 3.64Å; G497-C501 PolarHBondContact O-N 3.25Å; G497-C501 PolarHBondContact O-SG 2.86Å; S498-C501 WeakPolarHBondContact O-CB 3.37Å; S498-C501 PolarHBondContact O-N 3.42Å; R499-C501 VanDerWaalsContact C-N 3.29Å; R499-C501 PolarHBondContact O-N 2.89Å; C501-I504 PolarHBondContact O-N 3.31Å; C501-A505 WeakPolarHBondContact O-CB 3.24Å; C501-A505 PolarHBondContact O-N 3.45Å; C501-E532 HydrophobicContact CB-CB 4.4Å; C501-I535 HydrophobicContact CB-CB 4.03Å; C501-I535 HydrophobicContact CB-CG2 3.92Å; C501-I535 VanDerWaalsContact SG-CG2 3.54Å; C501-W536 HydrophobicContact CB-CB 4.39Å
502H98.3Very high91.5Very high0 Ų010.3 Ų10.30%05%0.054CC..Hα-helixtrans-61.8-51.7175-168.3120000111.6S498 R499 I500 I504 A505 H506 E525 A528 T529 E532 Y609S498-H502 PolarHBondContact O-N 3.27Å; R499-H502 PolarHBondContact NH1-CD2 3.38Å; R499-H502 PolarHBondContact NH1-CE1 3.14Å; R499-H502 PolarHBondContact NH1-ND1 3.35Å; R499-H502 PolarHBondContact NH1-NE2 3.17Å; R499-H502 PolarHBondContact NH2-CD2 3.22Å; R499-H502 VanDerWaalsContact NH2-CG 3.27Å; R499-H502 PolarHBondContact NH2-NE2 2.72Å; R499-H502 WeakPolarHBondContact O-CB 3.48Å; R499-H502 PolarHBondContact O-N 3.37Å; I500-H502 VanDerWaalsContact C-N 3.32Å; I500-H502 PolarHBondContact O-N 3.14Å; H502-I504 VanDerWaalsContact C-N 3.27Å; H502-I504 PolarHBondContact O-N 3.28Å; H502-A505 WeakPolarHBondContact O-CB 3.47Å; H502-A505 PolarHBondContact O-N 3.27Å; H502-H506 AromaticContact CD2-CD2 3.69Å; H502-H506 AromaticContact CD2-NE2 3.22Å; H502-H506 PolarHBondContact CD2-NE2 2.79Å; H502-H506 AromaticContact NE2-CE1 3.88Å; H502-H506 AromaticContact NE2-NE2 3.22Å; H502-H506 PolarHBondContact NE2-NE2 2.9Å; H502-H506 PolarHBondContact O-N 3.2Å; H502-E525 IonicContact NE2-OE2 2.74Å; H502-E525 PolarHBondContact NE2-OE2 3.13Å; H502-A528 VanDerWaalsContact CD2-CB 3.44Å; H502-A528 WeakPolarHBondContact CD2-CB 3.29Å; H502-A528 WeakPolarHBondContact NE2-CB 3.27Å; H502-T529 PolarHBondContact CE1-N 3.09Å; H502-T529 PolarHBondContact CE1-OG1 3.26Å; H502-E532 HydrophobicContact CB-CB 3.8Å; H502-E532 WeakPolarHBondContact CB-OE2 3.34Å; H502-E532 IonicContact CE1-OE2 3.69Å; H502-E532 IonicContact CG-OE2 3.79Å; H502-E532 IonicContact ND1-OE2 3.36Å; H502-E532 PolarHBondContact ND1-OE2 3.14Å; H502-Y609 AromaticContact CE1-CD1 3.95Å
503E98Very high93.2Very high1 Ų16.8 Ų6.81%0.0054%0.041CC..Hα-helixtrans-64.1-33.5179.5-57.9-54.9155.800112.1G467 A469 I474 L476 R499 I500 H506G467-E503 VanDerWaalsContact C-OE1 3.26Å; G467-E503 WeakPolarHBondContact CA-OE1 3.37Å; A469-E503 WeakPolarHBondContact CB-OE2 2.97Å; A469-E503 PolarHBondContact N-OE2 2.82Å; I474-E503 HydrophobicContact CB-CB 4.43Å; I474-E503 HydrophobicContact CD1-CB 3.61Å; I474-E503 HydrophobicContact CG1-CB 3.91Å; I474-E503 HydrophobicContact CG2-CB 3.6Å; I474-E503 HydrophobicContact CG2-CG 3.62Å; L476-E503 HydrophobicContact CD2-CG 3.89Å; R499-E503 IonicContact CZ-OE1 3.44Å; R499-E503 IonicContact NE-OE1 2.67Å; R499-E503 PolarHBondContact NE-OE1 3.05Å; R499-E503 IonicContact NH2-OE1 3.55Å; R499-E503 PolarHBondContact NH2-OE1 3.1Å; R499-E503 WeakPolarHBondContact O-CG 3.31Å; R499-E503 PolarHBondContact O-N 2.91Å; I500-E503 PolarHBondContact O-N 3.47Å; E503-H506 PolarHBondContact O-N 3Å; E503-H506 IonicContact OE2-CD2 3.16Å
504I98.5Very high94.1Very high0 Ų06.2 Ų6.20%04%0.04CC..Hα-helixtrans-66.1-41.1172.4-71.5167.8000110.9L435 C438 L439 A442 L454 I474 I500 C501 H502 H506 S507 W508L435-I504 HydrophobicContact CD1-CD1 4.07Å; C438-I504 HydrophobicContact CB-CD1 3.68Å; L439-I504 HydrophobicContact CD2-CD1 3.95Å; L439-I504 HydrophobicContact CD2-CG1 4.23Å; L439-I504 HydrophobicContact CD2-CG2 4.36Å; L439-I504 HydrophobicContact CG-CD1 4.11Å; A442-I504 HydrophobicContact CB-CG2 3.49Å; A442-I504 VanDerWaalsContact CB-CG2 3.49Å; L454-I504 HydrophobicContact CD2-CG1 4.02Å; I474-I504 HydrophobicContact CD1-CG1 4.35Å; I500-I504 HydrophobicContact CG2-CD1 3.55Å; I500-I504 HydrophobicContact CG2-CG1 4.29Å; I500-I504 WeakPolarHBondContact O-CB 3.38Å; I500-I504 VanDerWaalsContact O-CG1 3.22Å; I500-I504 WeakPolarHBondContact O-CG1 3.46Å; I500-I504 PolarHBondContact O-N 3.33Å; C501-I504 PolarHBondContact O-N 3.31Å; H502-I504 VanDerWaalsContact C-N 3.27Å; H502-I504 PolarHBondContact O-N 3.28Å; I504-H506 PolarHBondContact O-N 3.21Å; I504-S507 WeakPolarHBondContact O-CB 2.99Å; I504-S507 PolarHBondContact O-N 3.49Å; I504-S507 PolarHBondContact O-OG 3.44Å; I504-S507 VanDerWaalsContact O-OG 3.1Å; I504-W508 HydrophobicContact CG2-CZ3 3.96Å
505A98.4Very high94.8Very high0 Ų06.6 Ų6.60%04%0.044CC..Hα-helixtrans-60-33.2179.500000112.2C501 H502 S507 W508 F509 A528 L531 I535C501-A505 WeakPolarHBondContact O-CB 3.24Å; C501-A505 PolarHBondContact O-N 3.45Å; H502-A505 WeakPolarHBondContact O-CB 3.47Å; H502-A505 PolarHBondContact O-N 3.27Å; A505-S507 PolarHBondContact O-N 2.72Å; A505-S507 VanDerWaalsContact O-N 3.1Å; A505-W508 PolarHBondContact O-N 3.1Å; A505-F509 PolarHBondContact O-N 3.35Å; A505-F509 VanDerWaalsContact O-N 3.17Å; A505-A528 HydrophobicContact CB-CB 4.23Å; A505-L531 HydrophobicContact CB-CB 3.88Å; A505-L531 HydrophobicContact CB-CD1 4.31Å; A505-I535 HydrophobicContact CB-CD1 4.17Å
506H97.9Very high95Very high11 Ų119.8 Ų9.85%0.0516%0.056CC..THydrogen-bonded Turntrans-58.5-23.3174.2-75.5-53.4000114.5A469 H502 E503 I504 W508 F509 L511 S524 E525 A528A469-H506 HydrophobicContact CB-CB 3.47Å; A469-H506 VanDerWaalsContact CB-CB 3.47Å; H502-H506 AromaticContact CD2-CD2 3.69Å; H502-H506 AromaticContact CD2-NE2 3.22Å; H502-H506 PolarHBondContact CD2-NE2 2.79Å; H502-H506 AromaticContact NE2-CE1 3.88Å; H502-H506 AromaticContact NE2-NE2 3.22Å; H502-H506 PolarHBondContact NE2-NE2 2.9Å; H502-H506 PolarHBondContact O-N 3.2Å; E503-H506 PolarHBondContact O-N 3Å; E503-H506 IonicContact OE2-CD2 3.16Å; I504-H506 PolarHBondContact O-N 3.21Å; H506-W508 PolarHBondContact O-N 3.48Å; H506-F509 WeakPolarHBondContact CA-O 3.39Å; H506-F509 PolarHBondContact ND1-O 3.15Å; H506-F509 CarbonylContact O-C 3.57Å; H506-F509 PolarHBondContact O-N 2.88Å; H506-L511 VanDerWaalsContact O-CB 3.3Å; H506-L511 WeakPolarHBondContact O-CB 3.32Å; H506-L511 WeakPolarHBondContact O-CG 3.15Å; H506-L511 PolarHBondContact O-N 3.12Å; H506-L511 VanDerWaalsContact O-N 3.1Å; H506-S524 PolarHBondContact CE1-OG 2.9Å; H506-S524 PolarHBondContact ND1-OG 3.14Å; H506-S524 VanDerWaalsContact ND1-OG 3.13Å; H506-E525 VanDerWaalsContact CE1-CD 3.48Å; H506-E525 IonicContact CE1-OE1 2.75Å; H506-E525 PolarHBondContact CE1-OE1 2.97Å; H506-E525 IonicContact CE1-OE2 3.45Å; H506-E525 PolarHBondContact CE1-OE2 2.64Å; H506-E525 VanDerWaalsContact CE1-OE2 3.26Å; H506-E525 IonicContact NE2-OE1 3.59Å; H506-E525 IonicContact NE2-OE2 3.99Å; H506-E525 PolarHBondContact NE2-OE2 2.98Å; H506-A528 WeakPolarHBondContact CE1-CB 3.43Å
507S97.4Very high94.9Very high3 Ų310.5 Ų10.52%0.0216%0.06CC..THydrogen-bonded Turntrans-56.2-35.8175.2-59.40000111.9H449 P450 I504 A505 V512H449-S507 PolarHBondContact NE2-OG 3.37Å; P450-S507 WeakPolarHBondContact CG-O 3.42Å; I504-S507 WeakPolarHBondContact O-CB 2.99Å; I504-S507 PolarHBondContact O-N 3.49Å; I504-S507 PolarHBondContact O-OG 3.44Å; I504-S507 VanDerWaalsContact O-OG 3.1Å; A505-S507 PolarHBondContact O-N 2.72Å; A505-S507 VanDerWaalsContact O-N 3.1Å; S507-V512 WeakPolarHBondContact O-CB 3.36Å; S507-V512 WeakPolarHBondContact O-CG2 3.39Å; S507-V512 PolarHBondContact O-N 3.24Å
508W97.4Very high94.6Very high1 Ų112.2 Ų12.20%0.0047%0.066CC..THydrogen-bonded Turntrans-89.1-52.1173.7-70.5-95.9000112A442 L446 V448 H449 P450 I504 A505 H506 I513 V636A442-W508 HydrophobicContact CB-CH2 4.04Å; A442-W508 HydrophobicContact CB-CZ3 4.11Å; L446-W508 HydrophobicContact CB-CD2 4Å; L446-W508 HydrophobicContact CB-CG 4.34Å; L446-W508 HydrophobicContact CB-CH2 4.46Å; L446-W508 HydrophobicContact CB-CZ2 3.84Å; L446-W508 HydrophobicContact CD1-CB 4.23Å; L446-W508 HydrophobicContact CD1-CD2 3.56Å; L446-W508 HydrophobicContact CD1-CE3 3.61Å; L446-W508 HydrophobicContact CD1-CG 3.87Å; L446-W508 HydrophobicContact CD1-CZ3 4.16Å; L446-W508 HydrophobicContact CG-CD2 4.42Å; V448-W508 VanDerWaalsContact O-CZ2 3.31Å; V448-W508 WeakPolarHBondContact O-CZ2 3.39Å; V448-W508 PolarHBondContact O-NE1 3.44Å; H449-W508 VanDerWaalsContact CA-CZ2 3.49Å; H449-W508 HydrophobicContact CB-CH2 4.22Å; H449-W508 HydrophobicContact CB-CZ2 4.41Å; H449-W508 AromaticContact CD2-CH2 3.74Å; H449-W508 AromaticContact CD2-CZ3 3.95Å; P450-W508 HydrophobicContact CG-CD2 4.03Å; P450-W508 HydrophobicContact CG-CG 4.05Å; I504-W508 HydrophobicContact CG2-CZ3 3.96Å; A505-W508 PolarHBondContact O-N 3.1Å; H506-W508 PolarHBondContact O-N 3.48Å; W508-I513 WeakPolarHBondContact O-CB 3.38Å; W508-I513 WeakPolarHBondContact O-CG1 3.43Å; W508-I513 PolarHBondContact O-N 3.22Å; W508-V636 HydrophobicContact CB-CG2 4.47Å; W508-V636 HydrophobicContact CG-CG2 4.5Å
509F96.8Very high94.1Very high0 Ų011.9 Ų11.90%06%0.064CC..BIsolated β-bridgetrans-109.1109.5-172.8-63.4-84000111.2L446 A505 H506 I513 F527 L531 F632 F635 V636L446-F509 HydrophobicContact CD2-CE2 4.22Å; A505-F509 PolarHBondContact O-N 3.35Å; A505-F509 VanDerWaalsContact O-N 3.17Å; H506-F509 WeakPolarHBondContact CA-O 3.39Å; H506-F509 PolarHBondContact ND1-O 3.15Å; H506-F509 CarbonylContact O-C 3.57Å; H506-F509 PolarHBondContact O-N 2.88Å; F509-I513 HydrophobicContact CD1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CD1 4.2Å; F509-F527 HydrophobicContact CB-CB 3.73Å; F509-F527 HydrophobicContact CB-CG 4.29Å; F509-F527 HydrophobicContact CD1-CB 4.12Å; F509-F527 AromaticContact CD1-CD1 3.46Å; F509-F527 HydrophobicContact CD1-CD1 3.46Å; F509-F527 VanDerWaalsContact CD1-CD1 3.46Å; F509-F527 HydrophobicContact CD1-CD2 4.5Å; F509-F527 AromaticContact CD1-CE1 3.92Å; F509-F527 HydrophobicContact CD1-CE1 3.92Å; F509-F527 AromaticContact CD1-CG 3.78Å; F509-F527 HydrophobicContact CD1-CG 3.78Å; F509-F527 HydrophobicContact CD2-CB 4.18Å; F509-F527 HydrophobicContact CD2-CD1 4.09Å; F509-F527 HydrophobicContact CD2-CG 4.49Å; F509-F527 AromaticContact CE1-CD1 3.4Å; F509-F527 HydrophobicContact CE1-CD1 3.4Å; F509-F527 AromaticContact CE1-CE1 3.51Å; F509-F527 HydrophobicContact CE1-CE1 3.51Å; F509-F527 HydrophobicContact CE1-CG 4.19Å; F509-F527 HydrophobicContact CE1-CZ 4.37Å; F509-F527 HydrophobicContact CE2-CD1 4.05Å; F509-F527 HydrophobicContact CG-CB 3.75Å; F509-F527 AromaticContact CG-CD1 3.81Å; F509-F527 HydrophobicContact CG-CD1 3.81Å; F509-F527 AromaticContact CG-CG 3.94Å; F509-F527 HydrophobicContact CG-CG 3.94Å; F509-F527 AromaticContact CZ-CD1 3.71Å; F509-F527 HydrophobicContact CZ-CD1 3.71Å; F509-F527 AromaticContact CZ-CE1 3.97Å; F509-F527 HydrophobicContact CZ-CE1 3.97Å; F509-L531 HydrophobicContact CD2-CD1 3.53Å; F509-L531 HydrophobicContact CE2-CD1 3.57Å; F509-F632 HydrophobicContact CZ-CB 4.45Å; F509-F632 HydrophobicContact CZ-CG 4.49Å; F509-F635 AromaticContact CE1-CD1 3.94Å; F509-F635 HydrophobicContact CE1-CD1 3.94Å; F509-F635 HydrophobicContact CE1-CE1 4.19Å; F509-V636 HydrophobicContact CE2-CG2 4.26Å; F509-V636 HydrophobicContact CZ-CG2 3.97Å
510G92.1Very high93.8Very high25 Ų2510.7 Ų10.726%0.2586%0.059SC..THydrogen-bonded Turntrans115.3-36.4-174.200000112.6I513G510-I513 PolarHBondContact N-O 3.22Å
511L94.4Very high93.4Very high19 Ų1912.6 Ų12.610%0.0997%0.068CC..THydrogen-bonded Turntrans-101.5-64.8177.2-61.5179.4000113.2T300 F451 A469 P471 H506T300-L511 HydrophobicContact CG2-CD2 4.01Å; F451-L511 HydrophobicContact CE2-CB 3.99Å; F451-L511 HydrophobicContact CE2-CD1 3.72Å; F451-L511 HydrophobicContact CZ-CB 3.84Å; F451-L511 HydrophobicContact CZ-CD1 4.23Å; A469-L511 HydrophobicContact CB-CD1 4.31Å; P471-L511 HydrophobicContact CG-CD2 4.29Å; H506-L511 VanDerWaalsContact O-CB 3.3Å; H506-L511 WeakPolarHBondContact O-CB 3.32Å; H506-L511 WeakPolarHBondContact O-CG 3.15Å; H506-L511 PolarHBondContact O-N 3.12Å; H506-L511 VanDerWaalsContact O-N 3.1Å
512V94.1Very high93.2Very high4 Ų412.6 Ų12.62%0.0247%0.068CC..THydrogen-bonded Turntrans-83.4-29.4-178.4172.40000112.6M294 F402 P450 F451 S507 H640 G641M294-V512 HydrophobicContact CE-CG2 4.13Å; M294-V512 HydrophobicContact SD-CG2 3.95Å; F402-V512 HydrophobicContact CE2-CG1 4.44Å; P450-V512 HydrophobicContact CB-CB 4.17Å; P450-V512 HydrophobicContact CB-CG1 4.4Å; P450-V512 HydrophobicContact CB-CG2 3.42Å; P450-V512 VanDerWaalsContact CB-CG2 3.42Å; P450-V512 HydrophobicContact CG-CB 4.41Å; P450-V512 HydrophobicContact CG-CG2 4.08Å; F451-V512 HydrophobicContact CE1-CG2 3.79Å; F451-V512 HydrophobicContact CE2-CG2 4.22Å; F451-V512 HydrophobicContact CZ-CG2 3.47Å; F451-V512 VanDerWaalsContact CZ-CG2 3.47Å; S507-V512 WeakPolarHBondContact O-CB 3.36Å; S507-V512 WeakPolarHBondContact O-CG2 3.39Å; S507-V512 PolarHBondContact O-N 3.24Å; V512-H640 HydrophobicContact CG1-CB 3.63Å; V512-G641 VanDerWaalsContact CG1-N 3.32Å; V512-G641 WeakPolarHBondContact O-CA 3.49Å; V512-G641 PolarHBondContact O-N 3.35Å
513I94.9Very high93Very high2 Ų212.7 Ų12.71%0.017%0.069CC..EExtended strand (participates in β ladder)trans-113.497.6167.1-54.8170.1000106.5W508 F509 G510 F635 V636 V644W508-I513 WeakPolarHBondContact O-CB 3.38Å; W508-I513 WeakPolarHBondContact O-CG1 3.43Å; W508-I513 PolarHBondContact O-N 3.22Å; F509-I513 HydrophobicContact CD1-CD1 4.42Å; F509-I513 HydrophobicContact CE1-CD1 4.2Å; G510-I513 PolarHBondContact N-O 3.22Å; I513-F635 HydrophobicContact CD1-CD1 4.14Å; I513-F635 HydrophobicContact CD1-CE1 4.22Å; I513-F635 HydrophobicContact CG2-CE1 4.05Å; I513-V636 HydrophobicContact CD1-CB 4.36Å; I513-V636 HydrophobicContact CD1-CG2 3.88Å; I513-V644 HydrophobicContact CG2-CG1 4.01Å; I513-V644 HydrophobicContact CG2-CG2 3.7Å
514G91.3Very high92.9Very high8 Ų813.7 Ų13.78%0.0828%0.076CC..EExtended strand (participates in β ladder)trans-91.2161.2-178.400000112.2Q642 L643 V644G514-Q642 PolarHBondContact N-O 2.75Å; G514-Q642 VanDerWaalsContact N-O 3.16Å; G514-L643 CarbonylContact O-C 3.47Å; G514-L643 VanDerWaalsContact O-CA 3.25Å; G514-L643 WeakPolarHBondContact O-CA 3.38Å; G514-V644 PolarHBondContact O-N 3.45Å
515A91.2Very high92.7Very high17 Ų1715.1 Ų15.114%0.148%0.082CC..EExtended strand (participates in β ladder)trans-75136.6166.800000109.7P249 D517 E520P249-A515 VanDerWaalsContact CB-O 3.26Å; P249-A515 WeakPolarHBondContact CB-O 3.36Å; A515-D517 WeakPolarHBondContact CB-O 3.45Å; A515-D517 PolarHBondContact O-N 3.24Å; A515-E520 HydrophobicContact CB-CB 4.22Å
516R90.1Very high92.7Very high71 Ų7115.1 Ų15.127%0.2688%0.082SC..SBendtrans-70.3-22.6175-177.6175.2172174.3-3.5112.4V250 L643 V644 L645V250-R516 HydrophobicContact CG1-CG 3.95Å; R516-L643 HydrophobicContact CB-CB 3.93Å; R516-L643 HydrophobicContact CG-CB 4.47Å; R516-V644 PolarHBondContact N-O 3.05Å; R516-L645 HydrophobicContact CB-CD2 3.86Å; R516-L645 HydrophobicContact CB-CG 4.13Å; R516-L645 HydrophobicContact CG-CD2 4.45Å
517D86.9Confident92.7Very high16 Ų1614.6 Ų14.69%0.0868%0.08CC..SBendtrans-132.6137179.2-170.1-45.9000109.2A515 T519 E520 T583 G584 L645A515-D517 WeakPolarHBondContact CB-O 3.45Å; A515-D517 PolarHBondContact O-N 3.24Å; D517-T519 PolarHBondContact O-N 2.96Å; D517-T519 VanDerWaalsContact O-N 3.16Å; D517-T519 WeakPolarHBondContact OD1-CB 3.32Å; D517-T519 PolarHBondContact OD1-N 3.49Å; D517-T519 PolarHBondContact OD1-OG1 3.49Å; D517-E520 PolarHBondContact O-N 3.44Å; D517-E520 VanDerWaalsContact O-N 3.08Å; D517-T583 HydrophobicContact CB-CG2 4.12Å; D517-G584 PolarHBondContact OD2-N 3.25Å; D517-L645 HydrophobicContact CB-CD2 4.46Å
518W84Confident92.7Very high36 Ų3614.5 Ų14.514%0.1368%0.079CC..G310 helixtrans-63.5-16177.7-72.8122.8000113.5P236 I237 E247 P249 S299 E520 E521 I594P236-W518 HydrophobicContact CB-CD2 3.99Å; P236-W518 HydrophobicContact CB-CE3 3.64Å; P236-W518 HydrophobicContact CB-CH2 4.23Å; P236-W518 HydrophobicContact CB-CZ3 3.78Å; P236-W518 WeakPolarHBondContact O-CH2 3.18Å; P236-W518 WeakPolarHBondContact O-CZ2 3.06Å; I237-W518 HydrophobicContact CG2-CD2 4.32Å; I237-W518 HydrophobicContact CG2-CG 4.31Å; I237-W518 HydrophobicContact CG2-CZ2 4.49Å; E247-W518 PolarHBondContact O-NE1 3.24Å; P249-W518 HydrophobicContact CG-CD2 3.89Å; P249-W518 HydrophobicContact CG-CG 4.09Å; P249-W518 HydrophobicContact CG-CZ2 3.9Å; S299-W518 VanDerWaalsContact OG-CH2 3.22Å; S299-W518 WeakPolarHBondContact OG-CH2 3.32Å; S299-W518 WeakPolarHBondContact OG-CZ2 3.33Å; W518-E520 PolarHBondContact O-N 3.35Å; W518-E521 WeakPolarHBondContact O-CG 3.33Å; W518-I594 HydrophobicContact CB-CD1 4.07Å; W518-I594 HydrophobicContact CB-CG1 4.11Å; W518-I594 HydrophobicContact CB-CG2 4.13Å; W518-I594 HydrophobicContact CG-CD1 3.96Å; W518-I594 HydrophobicContact CG-CG1 4.42Å
519T84.1Confident92.8Very high6 Ų614.6 Ų14.64%0.0378%0.08CC..G310 helixtrans-76.2-4.9173.656.70000114.1D517 P578 N579 K595D517-T519 PolarHBondContact O-N 2.96Å; D517-T519 VanDerWaalsContact O-N 3.16Å; D517-T519 WeakPolarHBondContact OD1-CB 3.32Å; D517-T519 PolarHBondContact OD1-N 3.49Å; D517-T519 PolarHBondContact OD1-OG1 3.49Å; T519-P578 HydrophobicContact CG2-CG 4.02Å; T519-P578 WeakPolarHBondContact O-CD 3.45Å; T519-N579 HydrophobicContact CG2-CB 4.25Å; T519-N579 WeakPolarHBondContact CG2-ND2 3.48Å; T519-N579 PolarHBondContact OG1-ND2 3.03Å; T519-K595 HydrophobicContact CG2-CB 4.21Å
520E88.6Confident92.8Very high2 Ų215.2 Ų15.21%0.0098%0.083CC..G310 helixtrans-105.140.4176.8-58.1-150128.500113.1A515 D517 W518 W522 I523 R577 T583 L645 S646A515-E520 HydrophobicContact CB-CB 4.22Å; D517-E520 PolarHBondContact O-N 3.44Å; D517-E520 VanDerWaalsContact O-N 3.08Å; W518-E520 PolarHBondContact O-N 3.35Å; E520-W522 PolarHBondContact O-N 3.03Å; E520-I523 HydrophobicContact CB-CD1 3.91Å; E520-I523 HydrophobicContact CB-CG1 4.33Å; E520-I523 WeakPolarHBondContact O-CB 3.32Å; E520-I523 PolarHBondContact O-N 3.47Å; E520-I523 WeakPolarHBondContact OE2-CD1 3.33Å; E520-R577 WeakPolarHBondContact OE1-CD 3.01Å; E520-T583 HydrophobicContact CG-CG2 3.56Å; E520-L645 VanDerWaalsContact OE2-C 3.29Å; E520-L645 WeakPolarHBondContact OE2-CA 3.01Å; E520-L645 WeakPolarHBondContact OE2-CD2 3.31Å; E520-S646 WeakPolarHBondContact OE1-CB 3.47Å; E520-S646 PolarHBondContact OE1-N 3.34Å; E520-S646 PolarHBondContact OE1-OG 2.92Å; E520-S646 PolarHBondContact OE2-N 2.87Å; E520-S646 PolarHBondContact OE2-OG 3.44Å
521E89.2Confident93.1Very high42 Ų4214 Ų1420%0.1967%0.07CC..THydrogen-bonded Turntrans-53.5-28.8-179.5-54.1179.4-176.500112.7W518 I523 S524 E525 K602 H608W518-E521 WeakPolarHBondContact O-CG 3.33Å; E521-I523 PolarHBondContact O-N 3.19Å; E521-S524 WeakPolarHBondContact O-CB 3.39Å; E521-S524 PolarHBondContact O-N 3.1Å; E521-E525 PolarHBondContact O-N 3.17Å; E521-K602 WeakPolarHBondContact OE1-CE 3.45Å; E521-K602 IonicContact OE1-NZ 2.82Å; E521-K602 PolarHBondContact OE1-NZ 3.02Å; E521-H608 HydrophobicContact CB-CB 4.27Å; E521-H608 IonicContact OE2-CD2 3.47Å; E521-H608 IonicContact OE2-CE1 2.67Å; E521-H608 IonicContact OE2-NE2 2.68Å
522W94.3Very high93.3Very high0 Ų014 Ų140%07%0.07CC..Hα-helixtrans-61.8-25.7179.384.9-91.9000113.7E520 S524 G526 F527 L576 H608 L615 S646 F649 L675E520-W522 PolarHBondContact O-N 3.03Å; W522-S524 PolarHBondContact O-N 3.1Å; W522-G526 WeakPolarHBondContact O-CA 3.36Å; W522-G526 PolarHBondContact O-N 2.64Å; W522-F527 HydrophobicContact CE3-CE2 4.34Å; W522-F527 HydrophobicContact CH2-CE2 4.16Å; W522-F527 HydrophobicContact CZ3-CD2 4.36Å; W522-F527 AromaticContact CZ3-CE2 3.71Å; W522-F527 HydrophobicContact CZ3-CE2 3.71Å; W522-L576 HydrophobicContact CB-CD2 3.81Å; W522-L576 HydrophobicContact CG-CB 4.39Å; W522-L576 HydrophobicContact CG-CD2 4.45Å; W522-H608 HydrophobicContact CB-CB 4.41Å; W522-L615 HydrophobicContact CE3-CD2 4.37Å; W522-L615 HydrophobicContact CH2-CD2 3.78Å; W522-L615 HydrophobicContact CZ2-CD2 4.3Å; W522-L615 HydrophobicContact CZ3-CD2 3.82Å; W522-S646 WeakPolarHBondContact CZ2-OG 3.47Å; W522-S646 PolarHBondContact NE1-OG 3.04Å; W522-F649 HydrophobicContact CH2-CD1 4.27Å; W522-L675 HydrophobicContact CD2-CD2 4.48Å; W522-L675 HydrophobicContact CZ2-CD1 4.49Å; W522-L675 HydrophobicContact CZ2-CD2 4.08Å
523I94.3Very high93.3Very high3 Ų314 Ų142%0.0157%0.07CC..Hα-helixtrans-66.2-29.4175.6-63.4177.2000110.7E520 E521 F527 V644E520-I523 HydrophobicContact CB-CD1 3.91Å; E520-I523 HydrophobicContact CB-CG1 4.33Å; E520-I523 WeakPolarHBondContact O-CB 3.32Å; E520-I523 PolarHBondContact O-N 3.47Å; E520-I523 WeakPolarHBondContact OE2-CD1 3.33Å; E521-I523 PolarHBondContact O-N 3.19Å; I523-F527 HydrophobicContact CG2-CE2 4.44Å; I523-F527 WeakPolarHBondContact O-CB 3.32Å; I523-F527 WeakPolarHBondContact O-CD2 3.37Å; I523-F527 WeakPolarHBondContact O-CG 3.32Å; I523-V644 HydrophobicContact CD1-CG2 4.38Å; I523-V644 HydrophobicContact CG2-CG2 4.08Å
524S94.3Very high93.4Very high22 Ų2215.5 Ų15.515%0.1548%0.077CC..Hα-helixtrans-83.7-65.7171.2-179.40000110.1H506 E521 W522 F527 A528H506-S524 PolarHBondContact CE1-OG 2.9Å; H506-S524 PolarHBondContact ND1-OG 3.14Å; H506-S524 VanDerWaalsContact ND1-OG 3.13Å; E521-S524 WeakPolarHBondContact O-CB 3.39Å; E521-S524 PolarHBondContact O-N 3.1Å; W522-S524 PolarHBondContact O-N 3.1Å; S524-F527 PolarHBondContact O-N 3.46Å; S524-A528 WeakPolarHBondContact O-CB 3.4Å; S524-A528 PolarHBondContact O-N 3.39Å
525E95.8Very high93.8Very high29 Ų2915.1 Ų15.114%0.1367%0.073CC..Hα-helixtrans-73.3-36.9-165.8-60.7-41.8123.700113.2H502 H506 E521 T529 H608 Y609H502-E525 IonicContact NE2-OE2 2.74Å; H502-E525 PolarHBondContact NE2-OE2 3.13Å; H506-E525 VanDerWaalsContact CE1-CD 3.48Å; H506-E525 IonicContact CE1-OE1 2.75Å; H506-E525 PolarHBondContact CE1-OE1 2.97Å; H506-E525 IonicContact CE1-OE2 3.45Å; H506-E525 PolarHBondContact CE1-OE2 2.64Å; H506-E525 VanDerWaalsContact CE1-OE2 3.26Å; H506-E525 IonicContact NE2-OE1 3.59Å; H506-E525 IonicContact NE2-OE2 3.99Å; H506-E525 PolarHBondContact NE2-OE2 2.98Å; E521-E525 PolarHBondContact O-N 3.17Å; E525-T529 VanDerWaalsContact O-CB 3.24Å; E525-T529 WeakPolarHBondContact O-CB 3.39Å; E525-T529 PolarHBondContact O-N 3.47Å; E525-T529 PolarHBondContact O-OG1 3.37Å; E525-H608 WeakPolarHBondContact CG-CD2 3.29Å; E525-Y609 HydrophobicContact CB-CD1 3.68Å; E525-Y609 HydrophobicContact CB-CD2 4.18Å; E525-Y609 HydrophobicContact CB-CE1 3.8Å; E525-Y609 HydrophobicContact CB-CE2 4.32Å; E525-Y609 HydrophobicContact CB-CG 3.86Å; E525-Y609 HydrophobicContact CG-CD1 4.22Å; E525-Y609 HydrophobicContact CG-CD2 4.45Å; E525-Y609 HydrophobicContact CG-CE1 3.81Å; E525-Y609 HydrophobicContact CG-CE2 4.1Å; E525-Y609 WeakPolarHBondContact OE2-CE1 3.35Å; E525-Y609 PolarHBondContact OE2-OH 3.35Å
526G97.4Very high94Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-65.1-41.5176.100000112W522 F530 H608W522-G526 WeakPolarHBondContact O-CA 3.36Å; W522-G526 PolarHBondContact O-N 2.64Å; G526-F530 WeakPolarHBondContact O-CB 3.25Å; G526-F530 PolarHBondContact O-N 3.45Å; G526-H608 PolarHBondContact N-O 2.9Å
527F98.2Very high94.2Very high1 Ų111.4 Ų11.40%0.0046%0.057CC..Hα-helixtrans-67.9-45.9176.1-81.1-103000112F509 W522 I523 S524 T529 F530 L531 L616 F632 F649F509-F527 HydrophobicContact CB-CB 3.73Å; F509-F527 HydrophobicContact CB-CG 4.29Å; F509-F527 HydrophobicContact CD1-CB 4.12Å; F509-F527 AromaticContact CD1-CD1 3.46Å; F509-F527 HydrophobicContact CD1-CD1 3.46Å; F509-F527 VanDerWaalsContact CD1-CD1 3.46Å; F509-F527 HydrophobicContact CD1-CD2 4.5Å; F509-F527 AromaticContact CD1-CE1 3.92Å; F509-F527 HydrophobicContact CD1-CE1 3.92Å; F509-F527 AromaticContact CD1-CG 3.78Å; F509-F527 HydrophobicContact CD1-CG 3.78Å; F509-F527 HydrophobicContact CD2-CB 4.18Å; F509-F527 HydrophobicContact CD2-CD1 4.09Å; F509-F527 HydrophobicContact CD2-CG 4.49Å; F509-F527 AromaticContact CE1-CD1 3.4Å; F509-F527 HydrophobicContact CE1-CD1 3.4Å; F509-F527 AromaticContact CE1-CE1 3.51Å; F509-F527 HydrophobicContact CE1-CE1 3.51Å; F509-F527 HydrophobicContact CE1-CG 4.19Å; F509-F527 HydrophobicContact CE1-CZ 4.37Å; F509-F527 HydrophobicContact CE2-CD1 4.05Å; F509-F527 HydrophobicContact CG-CB 3.75Å; F509-F527 AromaticContact CG-CD1 3.81Å; F509-F527 HydrophobicContact CG-CD1 3.81Å; F509-F527 AromaticContact CG-CG 3.94Å; F509-F527 HydrophobicContact CG-CG 3.94Å; F509-F527 AromaticContact CZ-CD1 3.71Å; F509-F527 HydrophobicContact CZ-CD1 3.71Å; F509-F527 AromaticContact CZ-CE1 3.97Å; F509-F527 HydrophobicContact CZ-CE1 3.97Å; W522-F527 HydrophobicContact CE3-CE2 4.34Å; W522-F527 HydrophobicContact CH2-CE2 4.16Å; W522-F527 HydrophobicContact CZ3-CD2 4.36Å; W522-F527 AromaticContact CZ3-CE2 3.71Å; W522-F527 HydrophobicContact CZ3-CE2 3.71Å; I523-F527 HydrophobicContact CG2-CE2 4.44Å; I523-F527 WeakPolarHBondContact O-CB 3.32Å; I523-F527 WeakPolarHBondContact O-CD2 3.37Å; I523-F527 WeakPolarHBondContact O-CG 3.32Å; S524-F527 PolarHBondContact O-N 3.46Å; F527-T529 VanDerWaalsContact C-N 3.35Å; F527-T529 PolarHBondContact O-N 3.4Å; F527-F530 PolarHBondContact O-N 3.48Å; F527-L531 WeakPolarHBondContact O-CB 3.2Å; F527-L531 VanDerWaalsContact O-CG 3.31Å; F527-L531 WeakPolarHBondContact O-CG 3.33Å; F527-L531 PolarHBondContact O-N 2.91Å; F527-L616 HydrophobicContact CB-CD1 4.34Å; F527-L616 HydrophobicContact CD1-CD1 4.03Å; F527-L616 HydrophobicContact CD2-CD1 3.94Å; F527-L616 HydrophobicContact CE1-CD1 4.33Å; F527-L616 HydrophobicContact CE1-CD2 4.15Å; F527-L616 HydrophobicContact CE2-CD1 4.26Å; F527-L616 HydrophobicContact CE2-CD2 4.19Å; F527-L616 HydrophobicContact CG-CD1 3.85Å; F527-L616 HydrophobicContact CZ-CD1 4.45Å; F527-L616 HydrophobicContact CZ-CD2 3.91Å; F527-F632 HydrophobicContact CD1-CE1 4.34Å; F527-F632 HydrophobicContact CD1-CZ 4.24Å; F527-F632 HydrophobicContact CE1-CD1 4.22Å; F527-F632 AromaticContact CE1-CE1 3.7Å; F527-F632 HydrophobicContact CE1-CE1 3.7Å; F527-F632 HydrophobicContact CE1-CZ 4.01Å; F527-F649 HydrophobicContact CE1-CD2 4.17Å; F527-F649 AromaticContact CE1-CE2 3.57Å; F527-F649 HydrophobicContact CE1-CE2 3.57Å; F527-F649 AromaticContact CE1-CZ 3.93Å; F527-F649 HydrophobicContact CE1-CZ 3.93Å; F527-F649 HydrophobicContact CZ-CD1 4.16Å; F527-F649 AromaticContact CZ-CD2 3.63Å; F527-F649 HydrophobicContact CZ-CD2 3.63Å; F527-F649 AromaticContact CZ-CE1 3.92Å; F527-F649 HydrophobicContact CZ-CE1 3.92Å; F527-F649 AromaticContact CZ-CE2 3.32Å; F527-F649 HydrophobicContact CZ-CE2 3.32Å; F527-F649 HydrophobicContact CZ-CG 4.04Å; F527-F649 AromaticContact CZ-CZ 3.5Å; F527-F649 HydrophobicContact CZ-CZ 3.5Å; F527-F649 VanDerWaalsContact CZ-CZ 3.5Å
528A98.1Very high94.6Very high0 Ų015.1 Ų15.10%07%0.074CC..Hα-helixtrans-62.4-43178.100000111.4H502 A505 H506 S524 F530 L531 E532H502-A528 VanDerWaalsContact CD2-CB 3.44Å; H502-A528 WeakPolarHBondContact CD2-CB 3.29Å; H502-A528 WeakPolarHBondContact NE2-CB 3.27Å; A505-A528 HydrophobicContact CB-CB 4.23Å; H506-A528 WeakPolarHBondContact CE1-CB 3.43Å; S524-A528 WeakPolarHBondContact O-CB 3.4Å; S524-A528 PolarHBondContact O-N 3.39Å; A528-F530 VanDerWaalsContact C-N 3.32Å; A528-F530 PolarHBondContact O-N 3.33Å; A528-L531 PolarHBondContact O-N 2.91Å; A528-E532 WeakPolarHBondContact O-CB 3.29Å; A528-E532 PolarHBondContact O-N 2.96Å
529T98Very high95.1Very high4 Ų413.6 Ų13.63%0.0257%0.069CC..Hα-helixtrans-63.5-33.9175-53.20000112.8H502 E525 F527 E532 Y609 Y613H502-T529 PolarHBondContact CE1-N 3.09Å; H502-T529 PolarHBondContact CE1-OG1 3.26Å; E525-T529 VanDerWaalsContact O-CB 3.24Å; E525-T529 WeakPolarHBondContact O-CB 3.39Å; E525-T529 PolarHBondContact O-N 3.47Å; E525-T529 PolarHBondContact O-OG1 3.37Å; F527-T529 VanDerWaalsContact C-N 3.35Å; F527-T529 PolarHBondContact O-N 3.4Å; T529-E532 WeakPolarHBondContact O-CG 3.43Å; T529-Y609 WeakPolarHBondContact OG1-CD1 3.2Å; T529-Y613 HydrophobicContact CG2-CD2 4Å; T529-Y613 HydrophobicContact CG2-CG 4.14Å
530F98.3Very high95.5Very high13 Ų1314.4 Ų14.46%0.0577%0.072CC..Hα-helixtrans-74.1-44.1175.4179.5-95.9000112.2G526 F527 A528 I534 Y613 L616 R617 A620 L628 F632G526-F530 WeakPolarHBondContact O-CB 3.25Å; G526-F530 PolarHBondContact O-N 3.45Å; F527-F530 PolarHBondContact O-N 3.48Å; A528-F530 VanDerWaalsContact C-N 3.32Å; A528-F530 PolarHBondContact O-N 3.33Å; F530-I534 HydrophobicContact CD1-CD1 3.97Å; F530-I534 HydrophobicContact CE1-CD1 3.37Å; F530-I534 HydrophobicContact CZ-CD1 3.72Å; F530-Y613 HydrophobicContact CB-CD2 4.05Å; F530-Y613 HydrophobicContact CD2-CD2 4.23Å; F530-Y613 HydrophobicContact CD2-CE2 4.25Å; F530-L616 HydrophobicContact CB-CB 4.16Å; F530-L616 HydrophobicContact CB-CD1 3.63Å; F530-L616 HydrophobicContact CD1-CB 4.31Å; F530-L616 HydrophobicContact CD1-CD1 4.26Å; F530-L616 HydrophobicContact CD2-CB 3.68Å; F530-L616 HydrophobicContact CE2-CB 4.13Å; F530-L616 HydrophobicContact CG-CB 3.79Å; F530-L616 HydrophobicContact CG-CD1 3.95Å; F530-R617 HydrophobicContact CD2-CG 4.05Å; F530-R617 HydrophobicContact CE2-CG 3.91Å; F530-A620 HydrophobicContact CZ-CB 4.31Å; F530-L628 HydrophobicContact CE1-CD2 3.94Å; F530-L628 HydrophobicContact CZ-CD2 3.69Å; F530-F632 AromaticContact CD1-CE2 3.75Å; F530-F632 HydrophobicContact CD1-CE2 3.75Å; F530-F632 HydrophobicContact CD1-CZ 4.12Å; F530-F632 AromaticContact CE1-CE2 3.6Å; F530-F632 HydrophobicContact CE1-CE2 3.6Å; F530-F632 HydrophobicContact CE1-CZ 4.01Å
531L98.3Very high95.6Very high0 Ų020.1 Ų20.10%010%0.099CC..Hα-helixtrans-75.1-27.4-177.2-71.1165.3000112.8V445 L446 A505 F509 F527 A528 D533 I534 I535 I629 F632V445-L531 HydrophobicContact CG1-CD2 4.23Å; L446-L531 HydrophobicContact CD1-CD1 4.1Å; L446-L531 HydrophobicContact CD2-CD1 4.33Å; L446-L531 HydrophobicContact CD2-CD2 4.09Å; A505-L531 HydrophobicContact CB-CB 3.88Å; A505-L531 HydrophobicContact CB-CD1 4.31Å; F509-L531 HydrophobicContact CD2-CD1 3.53Å; F509-L531 HydrophobicContact CE2-CD1 3.57Å; F527-L531 WeakPolarHBondContact O-CB 3.2Å; F527-L531 VanDerWaalsContact O-CG 3.31Å; F527-L531 WeakPolarHBondContact O-CG 3.33Å; F527-L531 PolarHBondContact O-N 2.91Å; A528-L531 PolarHBondContact O-N 2.91Å; L531-D533 PolarHBondContact O-N 3.21Å; L531-I534 PolarHBondContact O-N 2.79Å; L531-I534 VanDerWaalsContact O-N 3.17Å; L531-I535 HydrophobicContact CB-CD1 4.13Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.25Å; L531-I535 WeakPolarHBondContact O-CG1 3.26Å; L531-I535 PolarHBondContact O-N 3.22Å; L531-I629 HydrophobicContact CD2-CD1 4.23Å; L531-F632 HydrophobicContact CD2-CD2 3.98Å; L531-F632 HydrophobicContact CD2-CE2 4.04Å; L531-F632 HydrophobicContact CG-CE2 4.5Å
532E97.6Very high95.7Very high19 Ų1920 Ų209%0.08910%0.1CC..Hα-helixtrans-54.6-42.4179.882.3-171.7177.800111.4R499 C501 H502 A528 T529 W536 R558R499-E532 IonicContact NH1-OE2 3.44Å; C501-E532 HydrophobicContact CB-CB 4.4Å; H502-E532 HydrophobicContact CB-CB 3.8Å; H502-E532 WeakPolarHBondContact CB-OE2 3.34Å; H502-E532 IonicContact CE1-OE2 3.69Å; H502-E532 IonicContact CG-OE2 3.79Å; H502-E532 IonicContact ND1-OE2 3.36Å; H502-E532 PolarHBondContact ND1-OE2 3.14Å; A528-E532 WeakPolarHBondContact O-CB 3.29Å; A528-E532 PolarHBondContact O-N 2.96Å; T529-E532 WeakPolarHBondContact O-CG 3.43Å; E532-W536 WeakPolarHBondContact O-CB 3.26Å; E532-W536 PolarHBondContact O-N 3.47Å; E532-R558 IonicContact OE1-CZ 3.54Å; E532-R558 IonicContact OE1-NE 3.23Å; E532-R558 IonicContact OE1-NH2 2.75Å; E532-R558 PolarHBondContact OE1-NH2 2.68Å
533D95.5Very high95.6Very high3 Ų322.9 Ų22.92%0.01612%0.12CC..Hα-helixtrans-71.2-40-178.3-84-15.9000111.9L531 A537 F551 K554 R558L531-D533 PolarHBondContact O-N 3.21Å; D533-A537 WeakPolarHBondContact O-CB 3.14Å; D533-A537 PolarHBondContact O-N 3.35Å; D533-F551 HydrophobicContact CB-CD1 4.26Å; D533-F551 HydrophobicContact CB-CE1 3.67Å; D533-F551 HydrophobicContact CB-CZ 3.92Å; D533-F551 WeakPolarHBondContact O-CE1 3.33Å; D533-K554 WeakPolarHBondContact OD1-CD 3.43Å; D533-K554 IonicContact OD1-NZ 3.76Å; D533-K554 PolarHBondContact OD1-NZ 3.28Å; D533-R558 VanDerWaalsContact CG-NH2 3.28Å; D533-R558 IonicContact OD1-NH2 2.7Å; D533-R558 PolarHBondContact OD1-NH2 3.02Å; D533-R558 VanDerWaalsContact OD1-NH2 3.16Å; D533-R558 IonicContact OD2-CZ 3.4Å; D533-R558 VanDerWaalsContact OD2-CZ 3.25Å; D533-R558 IonicContact OD2-NH1 2.67Å; D533-R558 PolarHBondContact OD2-NH1 2.95Å; D533-R558 IonicContact OD2-NH2 2.66Å; D533-R558 PolarHBondContact OD2-NH2 2.88Å
534I96.9Very high95.5Very high33 Ų3327.9 Ų27.917%0.16916%0.155CC..Hα-helixtrans-68.5-48.5-179.6-60.8179.8000110V445 F530 L531 W536 Q538 F551 I629V445-I534 HydrophobicContact CG1-CG2 4.12Å; V445-I534 HydrophobicContact CG2-CG2 4.01Å; F530-I534 HydrophobicContact CD1-CD1 3.97Å; F530-I534 HydrophobicContact CE1-CD1 3.37Å; F530-I534 HydrophobicContact CZ-CD1 3.72Å; L531-I534 PolarHBondContact O-N 2.79Å; L531-I534 VanDerWaalsContact O-N 3.17Å; I534-W536 VanDerWaalsContact C-N 3.34Å; I534-Q538 WeakPolarHBondContact O-CB 3.45Å; I534-Q538 PolarHBondContact O-N 2.93Å; I534-F551 HydrophobicContact CG1-CE2 4.14Å; I534-F551 HydrophobicContact CG1-CZ 4.14Å; I534-I629 HydrophobicContact CD1-CD1 3.81Å; I534-I629 HydrophobicContact CD1-CG1 4.5Å; I534-I629 HydrophobicContact CG2-CD1 4.41Å
535I98Very high95.4Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-64.8-41.9178.3-62.8169.6000109.8A441 A442 V445 C501 A505 L531 Q538 A539A441-I535 HydrophobicContact CB-CG2 3.91Å; A441-I535 WeakPolarHBondContact CB-O 3.35Å; A442-I535 HydrophobicContact CB-CD1 4.05Å; A442-I535 HydrophobicContact CB-CG1 4.46Å; A442-I535 HydrophobicContact CB-CG2 4.01Å; V445-I535 HydrophobicContact CB-CG1 4.32Å; V445-I535 HydrophobicContact CG2-CG1 4.19Å; C501-I535 HydrophobicContact CB-CB 4.03Å; C501-I535 HydrophobicContact CB-CG2 3.92Å; C501-I535 VanDerWaalsContact SG-CG2 3.54Å; A505-I535 HydrophobicContact CB-CD1 4.17Å; L531-I535 HydrophobicContact CB-CD1 4.13Å; L531-I535 WeakPolarHBondContact O-CB 3.48Å; L531-I535 VanDerWaalsContact O-CG1 3.25Å; L531-I535 WeakPolarHBondContact O-CG1 3.26Å; L531-I535 PolarHBondContact O-N 3.22Å; I535-Q538 PolarHBondContact O-N 3.39Å; I535-A539 WeakPolarHBondContact O-CB 3.42Å; I535-A539 PolarHBondContact O-N 2.92Å
536W96.2Very high95.3Very high4 Ų437.4 Ų37.42%0.01519%0.19CC..Hα-helixtrans-67.2-44.7179.2-177.5-127.1000112.9L434 L490 G497 C501 E532 I534 Q538 A539 Q540L434-W536 HydrophobicContact CD1-CH2 4.17Å; L434-W536 HydrophobicContact CD1-CZ3 4.43Å; L434-W536 HydrophobicContact CD2-CH2 4.44Å; L490-W536 HydrophobicContact CD1-CH2 4.47Å; G497-W536 VanDerWaalsContact CA-CZ3 3.42Å; C501-W536 HydrophobicContact CB-CB 4.39Å; E532-W536 WeakPolarHBondContact O-CB 3.26Å; E532-W536 PolarHBondContact O-N 3.47Å; I534-W536 VanDerWaalsContact C-N 3.34Å; W536-Q538 VanDerWaalsContact C-N 3.26Å; W536-Q538 PolarHBondContact O-N 3.22Å; W536-A539 HydrophobicContact CE3-CB 3.99Å; W536-A539 HydrophobicContact CZ3-CB 4.29Å; W536-A539 PolarHBondContact O-N 3.01Å; W536-A539 VanDerWaalsContact O-N 3.12Å; W536-Q540 HydrophobicContact CD2-CG 3.92Å; W536-Q540 VanDerWaalsContact CE2-NE2 3.33Å; W536-Q540 HydrophobicContact CE3-CG 4.26Å; W536-Q540 HydrophobicContact CH2-CG 3.99Å; W536-Q540 HydrophobicContact CZ2-CG 3.64Å; W536-Q540 VanDerWaalsContact CZ2-NE2 3.3Å; W536-Q540 HydrophobicContact CZ3-CG 4.28Å; W536-Q540 VanDerWaalsContact NE1-CD 3.27Å; W536-Q540 WeakPolarHBondContact O-CB 3.42Å; W536-Q540 WeakPolarHBondContact O-CG 3.32Å; W536-Q540 PolarHBondContact O-N 3.4Å
537A95Very high95.1Very high6 Ų638.7 Ų38.75%0.0520%0.198CC..Hα-helixtrans-59.5-39.1175.400000111.8D533 Q540 Q541 L542 T547 F551D533-A537 WeakPolarHBondContact O-CB 3.14Å; D533-A537 PolarHBondContact O-N 3.35Å; A537-Q540 PolarHBondContact O-N 3.34Å; A537-Q541 PolarHBondContact O-N 3.27Å; A537-L542 HydrophobicContact CB-CD1 4.28Å; A537-L542 PolarHBondContact O-N 2.85Å; A537-T547 HydrophobicContact CB-CG2 3.83Å; A537-F551 HydrophobicContact CB-CE1 4.03Å; A537-F551 HydrophobicContact CB-CZ 4.12Å
538Q95.2Very high94.9Very high94 Ų9440.9 Ų40.944%0.43922%0.217SC..Hα-helixtrans-66.6-42.7174.4-175.769.9-6.100111.9A441 I534 I535 W536 Q540 Q541A441-Q538 HydrophobicContact CB-CB 4Å; A441-Q538 HydrophobicContact CB-CG 3.88Å; I534-Q538 WeakPolarHBondContact O-CB 3.45Å; I534-Q538 PolarHBondContact O-N 2.93Å; I535-Q538 PolarHBondContact O-N 3.39Å; W536-Q538 VanDerWaalsContact C-N 3.26Å; W536-Q538 PolarHBondContact O-N 3.22Å; Q538-Q540 VanDerWaalsContact C-N 3.29Å; Q538-Q540 PolarHBondContact O-N 2.82Å; Q538-Q541 PolarHBondContact O-N 3.45Å; Q538-Q541 VanDerWaalsContact O-N 3.09Å
539A94.9Very high94.7Very high5 Ų542.7 Ų42.74%0.04123%0.225CC..Hα-helixtrans-63.7-35.8176.300000112.1R437 A441 I535 W536 Q541R437-A539 PolarHBondContact NE-O 3.49Å; R437-A539 PolarHBondContact NH2-O 3Å; A441-A539 HydrophobicContact CB-CB 3.84Å; I535-A539 WeakPolarHBondContact O-CB 3.42Å; I535-A539 PolarHBondContact O-N 2.92Å; W536-A539 HydrophobicContact CE3-CB 3.99Å; W536-A539 HydrophobicContact CZ3-CB 4.29Å; W536-A539 PolarHBondContact O-N 3.01Å; W536-A539 VanDerWaalsContact O-N 3.12Å; A539-Q541 VanDerWaalsContact C-N 3.3Å
540Q91.7Very high94.5Very high22 Ų2244.1 Ų44.110%0.10323%0.232CC..Hα-helixtrans-75-16.1174.3-72.1-177.3-45.400113.5L490 W536 A537 Q538 L542L490-Q540 HydrophobicContact CD2-CG 4.34Å; W536-Q540 HydrophobicContact CD2-CG 3.92Å; W536-Q540 VanDerWaalsContact CE2-NE2 3.33Å; W536-Q540 HydrophobicContact CE3-CG 4.26Å; W536-Q540 HydrophobicContact CH2-CG 3.99Å; W536-Q540 HydrophobicContact CZ2-CG 3.64Å; W536-Q540 VanDerWaalsContact CZ2-NE2 3.3Å; W536-Q540 HydrophobicContact CZ3-CG 4.28Å; W536-Q540 VanDerWaalsContact NE1-CD 3.27Å; W536-Q540 WeakPolarHBondContact O-CB 3.42Å; W536-Q540 WeakPolarHBondContact O-CG 3.32Å; W536-Q540 PolarHBondContact O-N 3.4Å; A537-Q540 PolarHBondContact O-N 3.34Å; Q538-Q540 VanDerWaalsContact C-N 3.29Å; Q538-Q540 PolarHBondContact O-N 2.82Å; Q540-L542 VanDerWaalsContact C-N 3.33Å; Q540-L542 HydrophobicContact CB-CD1 4.45Å; Q540-L542 HydrophobicContact CB-CD2 4.1Å; Q540-L542 HydrophobicContact CB-CG 3.81Å
541Q91.3Very high94.4Very high123 Ų12345.1 Ų45.158%0.57524%0.236SC*.THydrogen-bonded Turntrans58.442.8-175.2-55.3174.95.700112.4L378 A537 Q538 A539L378-Q541 HydrophobicContact CD2-CG 4.23Å; A537-Q541 PolarHBondContact O-N 3.27Å; Q538-Q541 PolarHBondContact O-N 3.45Å; Q538-Q541 VanDerWaalsContact O-N 3.09Å; A539-Q541 VanDerWaalsContact C-N 3.3Å
542L89.9Confident94.3Very high40 Ų4047.3 Ų47.321%0.20925%0.248CC..  trans-69.3146.6177.9-62.3-177.4000111.5A537 Q540 Q546 T547A537-L542 HydrophobicContact CB-CD1 4.28Å; A537-L542 PolarHBondContact O-N 2.85Å; Q540-L542 VanDerWaalsContact C-N 3.33Å; Q540-L542 HydrophobicContact CB-CD1 4.45Å; Q540-L542 HydrophobicContact CB-CD2 4.1Å; Q540-L542 HydrophobicContact CB-CG 3.81Å; L542-Q546 HydrophobicContact CB-CB 4.22Å; L542-T547 WeakPolarHBondContact CB-OG1 3.3Å
543S93.4Very high94.3Very high59 Ų5946.5 Ų46.541%0.41324%0.244SC..  trans-68.6153168.665.40000110.9R545 Q546 T547S543-R545 PolarHBondContact O-N 3.42Å; S543-Q546 VanDerWaalsContact N-OE1 3.13Å; S543-Q546 PolarHBondContact O-N 2.82Å; S543-Q546 WeakPolarHBondContact OG-CG 3.32Å; S543-Q546 PolarHBondContact OG-OE1 2.95Å; S543-T547 PolarHBondContact O-N 3.15Å; S543-T547 PolarHBondContact O-OG1 3.31Å
544S91.4Very high94.3Very high108 Ų10847.1 Ų47.176%0.75525%0.246SC*.Hα-helixtrans-52.7-35.3-179-460000113.4A548S544-A548 WeakPolarHBondContact O-CB 3.3Å; S544-A548 PolarHBondContact O-N 3.42Å
545R93.3Very high94.3Very high157 Ų15745.5 Ų45.559%0.59224%0.238SC*.Hα-helixtrans-66.8-46.2175.3-179.1-178.1173.7162.19.5112.2S543 T547 A548 E549S543-R545 PolarHBondContact O-N 3.42Å; R545-T547 VanDerWaalsContact C-N 3.33Å; R545-A548 PolarHBondContact O-N 3.33Å; R545-E549 IonicContact CZ-OE1 2.74Å; R545-E549 IonicContact NE-OE1 3.96Å; R545-E549 PolarHBondContact NE-OE1 3.1Å; R545-E549 IonicContact NH2-OE1 3.63Å; R545-E549 PolarHBondContact NH2-OE1 2.86Å; R545-E549 WeakPolarHBondContact O-CB 3.47Å; R545-E549 WeakPolarHBondContact O-CG 3.36Å; R545-E549 PolarHBondContact O-N 3.36Å
546Q92.7Very high94.3Very high94 Ų9446 Ų4644%0.43924%0.24SC..Hα-helixtrans-65.1-40.6179.2-71.6168.4-60.500111L542 S543 E549 Q550L542-Q546 HydrophobicContact CB-CB 4.22Å; S543-Q546 VanDerWaalsContact N-OE1 3.13Å; S543-Q546 PolarHBondContact O-N 2.82Å; S543-Q546 WeakPolarHBondContact OG-CG 3.32Å; S543-Q546 PolarHBondContact OG-OE1 2.95Å; Q546-E549 PolarHBondContact O-N 2.98Å; Q546-Q550 WeakPolarHBondContact O-CB 3.49Å; Q546-Q550 WeakPolarHBondContact O-CG 3.3Å; Q546-Q550 PolarHBondContact O-N 3.26Å
547T93.2Very high94.3Very high27 Ų2747 Ų4717%0.16625%0.246CC..Hα-helixtrans-58.4-50.9175.1-55.20000111.1A537 L542 S543 R545 E549 Q550 F551A537-T547 HydrophobicContact CB-CG2 3.83Å; L542-T547 WeakPolarHBondContact CB-OG1 3.3Å; S543-T547 PolarHBondContact O-N 3.15Å; S543-T547 PolarHBondContact O-OG1 3.31Å; R545-T547 VanDerWaalsContact C-N 3.33Å; T547-E549 PolarHBondContact O-N 2.85Å; T547-Q550 PolarHBondContact O-N 2.91Å; T547-F551 HydrophobicContact CG2-CD1 4.07Å; T547-F551 HydrophobicContact CG2-CD2 4.08Å; T547-F551 HydrophobicContact CG2-CE1 3.62Å; T547-F551 HydrophobicContact CG2-CE2 3.65Å; T547-F551 HydrophobicContact CG2-CG 4.28Å; T547-F551 HydrophobicContact CG2-CZ 3.41Å; T547-F551 VanDerWaalsContact CG2-CZ 3.41Å; T547-F551 WeakPolarHBondContact O-CB 3.28Å; T547-F551 VanDerWaalsContact O-CD1 3.28Å; T547-F551 WeakPolarHBondContact O-CD1 3.34Å; T547-F551 VanDerWaalsContact O-CG 3.28Å; T547-F551 WeakPolarHBondContact O-CG 3.41Å; T547-F551 PolarHBondContact O-N 3.24Å
548A93.9Very high94.4Very high48 Ų4848 Ų4840%0.39725%0.248SC..Hα-helixtrans-60.3-46.3178.400000112.3S544 R545 Q550 F551 D552S544-A548 WeakPolarHBondContact O-CB 3.3Å; S544-A548 PolarHBondContact O-N 3.42Å; R545-A548 PolarHBondContact O-N 3.33Å; A548-Q550 VanDerWaalsContact C-N 3.33Å; A548-Q550 PolarHBondContact O-N 2.76Å; A548-F551 PolarHBondContact O-N 3.1Å; A548-D552 PolarHBondContact O-N 3.02Å
549E94.8Very high94.5Very high37 Ų3745.8 Ų45.817%0.17324%0.236CC..Hα-helixtrans-60.9-40.1178.3-75176.2179.400111.9R545 Q546 T547 L553 L696R545-E549 IonicContact CZ-OE1 2.74Å; R545-E549 IonicContact NE-OE1 3.96Å; R545-E549 PolarHBondContact NE-OE1 3.1Å; R545-E549 IonicContact NH2-OE1 3.63Å; R545-E549 PolarHBondContact NH2-OE1 2.86Å; R545-E549 WeakPolarHBondContact O-CB 3.47Å; R545-E549 WeakPolarHBondContact O-CG 3.36Å; R545-E549 PolarHBondContact O-N 3.36Å; Q546-E549 PolarHBondContact O-N 2.98Å; T547-E549 PolarHBondContact O-N 2.85Å; E549-L553 PolarHBondContact O-N 3.13Å; E549-L696 HydrophobicContact CB-CD1 3.93Å; E549-L696 HydrophobicContact CB-CG 4.06Å; E549-L696 WeakPolarHBondContact O-CD1 3.38Å
550Q93.6Very high94.6Very high35 Ų3547.7 Ų47.716%0.16424%0.242CC..Hα-helixtrans-70.4-41.3175-76.6-172.22.600112.9Q546 T547 A548 D552 L553 K554 L696Q546-Q550 WeakPolarHBondContact O-CB 3.49Å; Q546-Q550 WeakPolarHBondContact O-CG 3.3Å; Q546-Q550 PolarHBondContact O-N 3.26Å; T547-Q550 PolarHBondContact O-N 2.91Å; A548-Q550 VanDerWaalsContact C-N 3.33Å; A548-Q550 PolarHBondContact O-N 2.76Å; Q550-D552 VanDerWaalsContact C-N 3.33Å; Q550-D552 PolarHBondContact O-N 3.35Å; Q550-L553 PolarHBondContact O-N 3.39Å; Q550-K554 WeakPolarHBondContact O-CG 2.9Å; Q550-K554 PolarHBondContact O-N 3.42Å; Q550-L696 HydrophobicContact CG-CD1 4.47Å
551F95.6Very high94.7Very high33 Ų3350.8 Ų50.815%0.14525%0.253CS..Hα-helixtrans-65-37.6-179.2-76.511.9000111.8D533 I534 A537 T547 A548 A555D533-F551 HydrophobicContact CB-CD1 4.26Å; D533-F551 HydrophobicContact CB-CE1 3.67Å; D533-F551 HydrophobicContact CB-CZ 3.92Å; D533-F551 WeakPolarHBondContact O-CE1 3.33Å; I534-F551 HydrophobicContact CG1-CE2 4.14Å; I534-F551 HydrophobicContact CG1-CZ 4.14Å; A537-F551 HydrophobicContact CB-CE1 4.03Å; A537-F551 HydrophobicContact CB-CZ 4.12Å; T547-F551 HydrophobicContact CG2-CD1 4.07Å; T547-F551 HydrophobicContact CG2-CD2 4.08Å; T547-F551 HydrophobicContact CG2-CE1 3.62Å; T547-F551 HydrophobicContact CG2-CE2 3.65Å; T547-F551 HydrophobicContact CG2-CG 4.28Å; T547-F551 HydrophobicContact CG2-CZ 3.41Å; T547-F551 VanDerWaalsContact CG2-CZ 3.41Å; T547-F551 WeakPolarHBondContact O-CB 3.28Å; T547-F551 VanDerWaalsContact O-CD1 3.28Å; T547-F551 WeakPolarHBondContact O-CD1 3.34Å; T547-F551 VanDerWaalsContact O-CG 3.28Å; T547-F551 WeakPolarHBondContact O-CG 3.41Å; T547-F551 PolarHBondContact O-N 3.24Å; A548-F551 PolarHBondContact O-N 3.1Å; F551-A555 WeakPolarHBondContact O-CB 3.23Å; F551-A555 PolarHBondContact O-N 3.35Å
552D96.2Very high95Very high47 Ų4745 Ų4525%0.25123%0.226SC..Hα-helixtrans-67.3-40.7175.3-72.7-15.9000111.8A548 Q550 A555 L556 R617 W691 A694A548-D552 PolarHBondContact O-N 3.02Å; Q550-D552 VanDerWaalsContact C-N 3.33Å; Q550-D552 PolarHBondContact O-N 3.35Å; D552-A555 PolarHBondContact O-N 2.72Å; D552-L556 PolarHBondContact O-N 3.05Å; D552-R617 IonicContact OD1-NH1 3.88Å; D552-W691 HydrophobicContact CB-CG 4.48Å; D552-W691 VanDerWaalsContact OD1-CD1 3.31Å; D552-W691 PolarHBondContact OD1-NE1 2.95Å; D552-A694 HydrophobicContact CB-CB 4.01Å
553L96.9Very high95.2Very high2 Ų243.6 Ų43.61%0.0122%0.22CC..Hα-helixtrans-62.5-47.3174.3175.761.6000111.7E549 Q550 L556 L557 L696 V697 E736 Q737 M740E549-L553 PolarHBondContact O-N 3.13Å; Q550-L553 PolarHBondContact O-N 3.39Å; L553-L556 PolarHBondContact O-N 3.24Å; L553-L557 PolarHBondContact O-N 3Å; L553-L696 HydrophobicContact CD2-CB 4.24Å; L553-L696 HydrophobicContact CD2-CD1 4.28Å; L553-V697 HydrophobicContact CD1-CG2 3.73Å; L553-E736 HydrophobicContact CD2-CB 3.68Å; L553-E736 HydrophobicContact CG-CB 4.21Å; L553-Q737 HydrophobicContact CD2-CG 3.63Å; L553-M740 HydrophobicContact CD1-CB 4.14Å; L553-M740 HydrophobicContact CD1-CE 3.91Å; L553-M740 HydrophobicContact CD1-CG 4.25Å
554K96.1Very high95.2Very high15 Ų1544.4 Ų44.47%0.06522%0.22CC..Hα-helixtrans-64.6-40.7177.4-73.6-170.5178.8-161.40112.3D533 Q550 L556 L557 R558 E736D533-K554 WeakPolarHBondContact OD1-CD 3.43Å; D533-K554 IonicContact OD1-NZ 3.76Å; D533-K554 PolarHBondContact OD1-NZ 3.28Å; Q550-K554 WeakPolarHBondContact O-CG 2.9Å; Q550-K554 PolarHBondContact O-N 3.42Å; K554-L556 VanDerWaalsContact C-N 3.28Å; K554-L556 PolarHBondContact O-N 3.02Å; K554-L557 PolarHBondContact O-N 3.41Å; K554-R558 WeakPolarHBondContact O-CB 3.47Å; K554-R558 WeakPolarHBondContact O-CG 3.39Å; K554-R558 PolarHBondContact O-N 2.94Å; K554-E736 WeakPolarHBondContact CE-OE1 3.46Å; K554-E736 HydrophobicContact CG-CG 4.1Å; K554-E736 IonicContact NZ-OE1 2.95Å
555A97.1Very high95.3Very high0 Ų040.6 Ų40.60%019%0.19CC..Hα-helixtrans-61.1-39175.400000111.5F551 D552 W559 F614 W691F551-A555 WeakPolarHBondContact O-CB 3.23Å; F551-A555 PolarHBondContact O-N 3.35Å; D552-A555 PolarHBondContact O-N 2.72Å; A555-W559 VanDerWaalsContact O-CB 3.26Å; A555-W559 WeakPolarHBondContact O-CB 3.36Å; A555-W559 PolarHBondContact O-N 3.2Å; A555-F614 HydrophobicContact CB-CE1 4.33Å; A555-F614 WeakPolarHBondContact O-CZ 3.37Å; A555-W691 HydrophobicContact CB-CD2 3.83Å; A555-W691 HydrophobicContact CB-CE3 3.86Å; A555-W691 HydrophobicContact CB-CG 4.47Å; A555-W691 HydrophobicContact CB-CH2 4.09Å; A555-W691 HydrophobicContact CB-CZ2 4Å; A555-W691 HydrophobicContact CB-CZ3 4.01Å
556L97.7Very high95.2Very high9 Ų933.8 Ų33.85%0.04717%0.165CC..Hα-helixtrans-65.7-44.5174.1-173.561.9000112.3D552 L553 K554 W559 R560 W691 V697 M740D552-L556 PolarHBondContact O-N 3.05Å; L553-L556 PolarHBondContact O-N 3.24Å; K554-L556 VanDerWaalsContact C-N 3.28Å; K554-L556 PolarHBondContact O-N 3.02Å; L556-W559 HydrophobicContact CD1-CE3 3.99Å; L556-W559 PolarHBondContact O-N 2.99Å; L556-R560 WeakPolarHBondContact O-CG 3.33Å; L556-R560 PolarHBondContact O-N 2.99Å; L556-W691 HydrophobicContact CB-CB 4.03Å; L556-W691 HydrophobicContact CD1-CB 4.41Å; L556-V697 HydrophobicContact CD2-CB 4.36Å; L556-V697 HydrophobicContact CD2-CG1 3.75Å; L556-V697 HydrophobicContact CD2-CG2 3.68Å; L556-M740 HydrophobicContact CB-CE 4.22Å; L556-M740 HydrophobicContact CD2-CE 3.71Å; L556-M740 HydrophobicContact CG-CE 3.86Å
557L96.9Very high95.2Very high25 Ų2535.9 Ų35.913%0.13118%0.175CC..Hα-helixtrans-59.5-47.6175.6-73.9170.6000111.9L553 K554 W559 R560 R561 E736 V739 M740L553-L557 PolarHBondContact O-N 3Å; K554-L557 PolarHBondContact O-N 3.41Å; L557-W559 VanDerWaalsContact C-N 3.3Å; L557-W559 PolarHBondContact O-N 3.13Å; L557-R560 PolarHBondContact O-N 2.69Å; L557-R561 PolarHBondContact O-N 2.7Å; L557-E736 HydrophobicContact CD1-CB 4.13Å; L557-V739 HydrophobicContact CD1-CB 4.49Å; L557-V739 HydrophobicContact CD1-CG1 4.34Å; L557-V739 HydrophobicContact CD2-CG1 3.9Å; L557-M740 HydrophobicContact CD2-CB 4.14Å; L557-M740 HydrophobicContact CD2-CE 3.49Å; L557-M740 VanDerWaalsContact CD2-CE 3.49Å; L557-M740 HydrophobicContact CD2-SD 4.25Å; L557-M740 HydrophobicContact CG-CE 3.71Å
558R97.4Very high95.1Very high27 Ų2741.2 Ų41.210%0.10220%0.202CC..Hα-helixtrans-63.1-36.2176.5-73-168.1-170.5108.52.9112.1E532 D533 K554 L562 L610 Y613 F614E532-R558 IonicContact OE1-CZ 3.54Å; E532-R558 IonicContact OE1-NE 3.23Å; E532-R558 IonicContact OE1-NH2 2.75Å; E532-R558 PolarHBondContact OE1-NH2 2.68Å; D533-R558 VanDerWaalsContact CG-NH2 3.28Å; D533-R558 IonicContact OD1-NH2 2.7Å; D533-R558 PolarHBondContact OD1-NH2 3.02Å; D533-R558 VanDerWaalsContact OD1-NH2 3.16Å; D533-R558 IonicContact OD2-CZ 3.4Å; D533-R558 VanDerWaalsContact OD2-CZ 3.25Å; D533-R558 IonicContact OD2-NH1 2.67Å; D533-R558 PolarHBondContact OD2-NH1 2.95Å; D533-R558 IonicContact OD2-NH2 2.66Å; D533-R558 PolarHBondContact OD2-NH2 2.88Å; K554-R558 WeakPolarHBondContact O-CB 3.47Å; K554-R558 WeakPolarHBondContact O-CG 3.39Å; K554-R558 PolarHBondContact O-N 2.94Å; R558-L562 WeakPolarHBondContact O-CB 3.18Å; R558-L562 PolarHBondContact O-N 2.98Å; R558-L610 HydrophobicContact CB-CD2 3.99Å; R558-L610 HydrophobicContact CG-CD2 3.83Å; R558-Y613 PolarHBondContact NH1-OH 3.13Å; R558-F614 HydrophobicContact CB-CE2 4.22Å; R558-F614 HydrophobicContact CB-CZ 3.85Å
559W97.1Very high94.9Very high49 Ų4940 Ų4019%0.18619%0.191CC..Hα-helixtrans-67.4-43.6177.6173.476.8000111.3A555 L556 L557 L562 S563 F614 S688 W691A555-W559 VanDerWaalsContact O-CB 3.26Å; A555-W559 WeakPolarHBondContact O-CB 3.36Å; A555-W559 PolarHBondContact O-N 3.2Å; L556-W559 HydrophobicContact CD1-CE3 3.99Å; L556-W559 PolarHBondContact O-N 2.99Å; L557-W559 VanDerWaalsContact C-N 3.3Å; L557-W559 PolarHBondContact O-N 3.13Å; W559-L562 PolarHBondContact O-N 3.11Å; W559-S563 VanDerWaalsContact O-CB 3.25Å; W559-S563 WeakPolarHBondContact O-CB 3.17Å; W559-S563 PolarHBondContact O-N 2.86Å; W559-F614 HydrophobicContact CB-CE2 4.38Å; W559-F614 HydrophobicContact CB-CZ 3.82Å; W559-S688 VanDerWaalsContact CE2-CB 3.44Å; W559-S688 WeakPolarHBondContact CZ2-OG 3.34Å; W559-W691 HydrophobicContact CB-CZ3 4.46Å
560R96Very high94.7Very high45 Ų4543.2 Ų43.217%0.1721%0.209CC..Hα-helixtrans-60.4-48.4176.2-69.4174.361.2111.15110.5L556 L557 L562 S563 D564 E743 E747L556-R560 WeakPolarHBondContact O-CG 3.33Å; L556-R560 PolarHBondContact O-N 2.99Å; L557-R560 PolarHBondContact O-N 2.69Å; R560-L562 PolarHBondContact O-N 2.87Å; R560-S563 PolarHBondContact O-N 3.07Å; R560-D564 VanDerWaalsContact O-CG 3.26Å; R560-D564 PolarHBondContact O-N 2.84Å; R560-E743 WeakPolarHBondContact CB-OE1 3.35Å; R560-E743 WeakPolarHBondContact CD-OE1 3.25Å; R560-E743 IonicContact CZ-OE1 2.8Å; R560-E743 IonicContact NE-OE1 3.57Å; R560-E743 PolarHBondContact NE-OE1 3.1Å; R560-E743 IonicContact NH2-OE1 2.79Å; R560-E743 PolarHBondContact NH2-OE1 2.73Å; R560-E747 IonicContact CZ-OE1 3.85Å; R560-E747 VanDerWaalsContact CZ-OE1 3.25Å; R560-E747 IonicContact NH1-OE1 3.73Å; R560-E747 PolarHBondContact NH1-OE1 2.77Å; R560-E747 IonicContact NH2-OE1 3.45Å; R560-E747 PolarHBondContact NH2-OE1 3.2Å
561R95.1Very high94.6Very high86 Ų8648 Ų4833%0.32523%0.232SC..Hα-helixtrans-58.6-48.6175.2-176.9171-70.2162.5-0.9113L557 S563 D564 E565 L610L557-R561 PolarHBondContact O-N 2.7Å; R561-S563 VanDerWaalsContact C-N 3.31Å; R561-S563 PolarHBondContact O-N 2.85Å; R561-D564 PolarHBondContact O-N 3.33Å; R561-E565 WeakPolarHBondContact O-CB 3.39Å; R561-E565 PolarHBondContact O-N 2.82Å; R561-L610 HydrophobicContact CB-CD1 4.24Å; R561-L610 HydrophobicContact CG-CD1 4.01Å
562L96.1Very high94.3Very high2 Ų252.5 Ų52.51%0.0125%0.253CS..Hα-helixtrans-62.3-40.9177.6179.661.7000111.1R558 W559 R560 E565 L566 L610 K611 F614 L684R558-L562 WeakPolarHBondContact O-CB 3.18Å; R558-L562 PolarHBondContact O-N 2.98Å; W559-L562 PolarHBondContact O-N 3.11Å; R560-L562 PolarHBondContact O-N 2.87Å; L562-E565 PolarHBondContact O-N 3.14Å; L562-L566 HydrophobicContact CD1-CD1 3.73Å; L562-L566 HydrophobicContact CD1-CD2 4.18Å; L562-L566 HydrophobicContact CD1-CG 3.77Å; L562-L566 HydrophobicContact CD2-CD1 4.43Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.18Å; L562-L566 WeakPolarHBondContact O-CB 3.45Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.48Å; L562-L610 HydrophobicContact CB-CB 4.12Å; L562-L610 HydrophobicContact CB-CD1 3.88Å; L562-L610 HydrophobicContact CD1-CB 4.12Å; L562-L610 HydrophobicContact CD2-CB 4.23Å; L562-L610 HydrophobicContact CG-CB 4.39Å; L562-K611 HydrophobicContact CD2-CB 4.19Å; L562-F614 HydrophobicContact CD2-CD2 3.73Å; L562-F614 HydrophobicContact CD2-CE2 3.92Å; L562-L684 HydrophobicContact CD2-CD2 4.12Å
563S95.3Very high93.9Very high11 Ų1151.2 Ų51.28%0.07725%0.246CC..Hα-helixtrans-63.2-44178.3-178.80000111.9W559 R560 R561 Q567W559-S563 VanDerWaalsContact O-CB 3.25Å; W559-S563 WeakPolarHBondContact O-CB 3.17Å; W559-S563 PolarHBondContact O-N 2.86Å; R560-S563 PolarHBondContact O-N 3.07Å; R561-S563 VanDerWaalsContact C-N 3.31Å; R561-S563 PolarHBondContact O-N 2.85Å; S563-Q567 WeakPolarHBondContact O-CB 3.18Å; S563-Q567 WeakPolarHBondContact O-CG 3.41Å; S563-Q567 PolarHBondContact O-N 3.23Å; S563-Q567 VanDerWaalsContact O-N 3.15Å; S563-Q567 PolarHBondContact OG-NE2 3.44Å
564D92.9Very high93.7Very high76 Ų7651.6 Ų51.641%0.40625%0.248SC..Hα-helixtrans-66.1-42.7177.9-65.5-15.4000110.9R560 R561 Q567 N568R560-D564 VanDerWaalsContact O-CG 3.26Å; R560-D564 PolarHBondContact O-N 2.84Å; R561-D564 PolarHBondContact O-N 3.33Å; D564-Q567 PolarHBondContact O-N 3.01Å; D564-N568 PolarHBondContact O-N 3.28Å; D564-N568 PolarHBondContact O-ND2 3.4Å
565E92.9Very high93.5Very high28 Ų2852.6 Ų52.613%0.13125%0.254CS..Hα-helixtrans-61.4-50.1177.8-173177.4124.700111.8R561 L562 Q567 N568 S569 M605 Q606 V607R561-E565 WeakPolarHBondContact O-CB 3.39Å; R561-E565 PolarHBondContact O-N 2.82Å; L562-E565 PolarHBondContact O-N 3.14Å; E565-Q567 VanDerWaalsContact C-N 3.26Å; E565-Q567 PolarHBondContact O-N 3.22Å; E565-N568 CarbonylContact O-C 3.45Å; E565-N568 PolarHBondContact O-N 2.76Å; E565-S569 WeakPolarHBondContact O-CB 3.19Å; E565-S569 PolarHBondContact O-N 3.34Å; E565-S569 VanDerWaalsContact O-N 3.08Å; E565-S569 PolarHBondContact O-OG 3.45Å; E565-M605 HydrophobicContact CG-CE 3.93Å; E565-M605 HydrophobicContact CG-SD 3.93Å; E565-M605 WeakPolarHBondContact OE1-CE 3.24Å; E565-Q606 PolarHBondContact OE1-N 3.41Å; E565-Q606 WeakPolarHBondContact OE2-CB 3.33Å; E565-Q606 PolarHBondContact OE2-N 3.22Å; E565-V607 WeakPolarHBondContact OE1-CG2 3.25Å; E565-V607 PolarHBondContact OE1-N 2.93Å
566L92.8Very high93.2Very high13 Ų1352.9 Ų52.97%0.06826%0.255CS..Hα-helixtrans-67.4-24-179-64.1178000113.5L562 N568 Q574 V607 I680L562-L566 HydrophobicContact CD1-CD1 3.73Å; L562-L566 HydrophobicContact CD1-CD2 4.18Å; L562-L566 HydrophobicContact CD1-CG 3.77Å; L562-L566 HydrophobicContact CD2-CD1 4.43Å; L562-L566 HydrophobicContact CG-CD1 3.77Å; L562-L566 HydrophobicContact CG-CG 4.18Å; L562-L566 WeakPolarHBondContact O-CB 3.45Å; L562-L566 WeakPolarHBondContact O-CG 3.46Å; L562-L566 PolarHBondContact O-N 3.48Å; L566-N568 VanDerWaalsContact C-N 3.31Å; L566-Q574 HydrophobicContact CD2-CB 3.58Å; L566-Q574 HydrophobicContact CD2-CG 3.43Å; L566-Q574 VanDerWaalsContact CD2-CG 3.43Å; L566-Q574 PolarHBondContact O-NE2 2.93Å; L566-V607 HydrophobicContact CD2-CG2 3.79Å; L566-I680 HydrophobicContact CD1-CD1 4.49Å; L566-I680 HydrophobicContact CD1-CG1 3.55Å
567Q92.6Very high92.8Very high138 Ų13853.4 Ų53.465%0.64526%0.256SS*.Hα-helixtrans-74.6-24.4173.8-76.7172.524.700112.7S563 D564 E565S563-Q567 WeakPolarHBondContact O-CB 3.18Å; S563-Q567 WeakPolarHBondContact O-CG 3.41Å; S563-Q567 PolarHBondContact O-N 3.23Å; S563-Q567 VanDerWaalsContact O-N 3.15Å; S563-Q567 PolarHBondContact OG-NE2 3.44Å; D564-Q567 PolarHBondContact O-N 3.01Å; E565-Q567 VanDerWaalsContact C-N 3.26Å; E565-Q567 PolarHBondContact O-N 3.22Å
568N89.9Confident92.3Very high140 Ų14053.3 Ų53.375%0.74926%0.257SS*.SBendtrans-114.59.7-172.7-64.3-70.4000113.2D564 E565 L566D564-N568 PolarHBondContact O-N 3.28Å; D564-N568 PolarHBondContact O-ND2 3.4Å; E565-N568 CarbonylContact O-C 3.45Å; E565-N568 PolarHBondContact O-N 2.76Å; L566-N568 VanDerWaalsContact C-N 3.31Å
569S90.8Very high91.4Very high23 Ų2353.1 Ų53.116%0.16126%0.258CS..SBendtrans-121.3154.9-179.981.10000112.5E565 Q574 M605E565-S569 WeakPolarHBondContact O-CB 3.19Å; E565-S569 PolarHBondContact O-N 3.34Å; E565-S569 VanDerWaalsContact O-N 3.08Å; E565-S569 PolarHBondContact O-OG 3.45Å; S569-Q574 PolarHBondContact O-NE2 3.16Å; S569-Q574 WeakPolarHBondContact OG-CG 3.47Å; S569-Q574 PolarHBondContact OG-NE2 3.03Å; S569-M605 VanDerWaalsContact CB-CE 3.41Å; S569-M605 VanDerWaalsContact OG-CE 3.31Å; S569-M605 WeakPolarHBondContact OG-CE 3.46Å
570N90.6Very high90.7Very high103 Ų10354.8 Ų54.855%0.55127%0.269SS*.  trans-63.8142.7174.1-66.3-36.4000111.7E572 L573 Q574N570-E572 VanDerWaalsContact C-N 3.27Å; N570-E572 PolarHBondContact O-N 2.84Å; N570-L573 PolarHBondContact O-N 3.17Å; N570-L573 VanDerWaalsContact O-N 3.11Å; N570-Q574 WeakPolarHBondContact O-CG 3.41Å
571E91.4Very high89.7Confident137 Ų13759.1 Ų59.164%0.6430%0.296SS*.G310 helixtrans-56.6-36.8-176.1-69.5-172.1171.300113.3L573 Q574 P678E571-L573 VanDerWaalsContact C-N 3.26Å; E571-L573 PolarHBondContact O-N 2.87Å; E571-Q574 VanDerWaalsContact O-CB 3.28Å; E571-Q574 WeakPolarHBondContact O-CB 3.11Å; E571-Q574 PolarHBondContact O-N 3.07Å; E571-P678 HydrophobicContact CB-CB 3.88Å; E571-P678 HydrophobicContact CB-CG 4.19Å; E571-P678 HydrophobicContact CG-CB 4.27Å; E571-P678 HydrophobicContact CG-CG 4.48Å; E571-P678 WeakPolarHBondContact O-CB 3.43Å
572E87.8Confident88.9Confident126 Ų12663.2 Ų63.259%0.58931%0.311SS*.G310 helixtrans-63.1-31.4-179.2-61.4-172.7163.600113N570 Q574 H596N570-E572 VanDerWaalsContact C-N 3.27Å; N570-E572 PolarHBondContact O-N 2.84Å; E572-Q574 PolarHBondContact O-N 3.44Å; E572-H596 IonicContact OE2-CE1 2.67Å; E572-H596 PolarHBondContact OE2-CE1 2.79Å
573L88.3Confident88.1Confident20 Ų2063.9 Ų63.911%0.10532%0.315CS..G310 helixtrans-79.7-5.3177.4-60.5178.3000112.9N570 E571 H596 D601 K602 M605N570-L573 PolarHBondContact O-N 3.17Å; N570-L573 VanDerWaalsContact O-N 3.11Å; E571-L573 VanDerWaalsContact C-N 3.26Å; E571-L573 PolarHBondContact O-N 2.87Å; L573-H596 HydrophobicContact CD2-CB 3.74Å; L573-D601 HydrophobicContact CD1-CB 4.15Å; L573-K602 HydrophobicContact CD2-CB 4.46Å; L573-M605 HydrophobicContact CB-CE 4.01Å
574Q92.8Very high87.2Confident11 Ų1164 Ų645%0.05132%0.318CS..G310 helixtrans-92.6-3.1-177.4-54.2-175.111.700113.9L566 S569 N570 E571 E572 V607 K611 P678L566-Q574 HydrophobicContact CD2-CB 3.58Å; L566-Q574 HydrophobicContact CD2-CG 3.43Å; L566-Q574 VanDerWaalsContact CD2-CG 3.43Å; L566-Q574 PolarHBondContact O-NE2 2.93Å; S569-Q574 PolarHBondContact O-NE2 3.16Å; S569-Q574 WeakPolarHBondContact OG-CG 3.47Å; S569-Q574 PolarHBondContact OG-NE2 3.03Å; N570-Q574 WeakPolarHBondContact O-CG 3.41Å; E571-Q574 VanDerWaalsContact O-CB 3.28Å; E571-Q574 WeakPolarHBondContact O-CB 3.11Å; E571-Q574 PolarHBondContact O-N 3.07Å; E572-Q574 PolarHBondContact O-N 3.44Å; Q574-V607 WeakPolarHBondContact O-CG1 3.22Å; Q574-K611 PolarHBondContact O-NZ 3.27Å; Q574-K611 VanDerWaalsContact O-NZ 3.09Å; Q574-P678 HydrophobicContact CB-CB 3.96Å
575I91.7Very high86.6Confident36 Ų3666 Ų6619%0.18533%0.325CS..  trans-94.5128.4-172.4-59.1176.3000108.9L675 P678I575-L675 WeakPolarHBondContact CG2-O 3.33Å; I575-P678 HydrophobicContact CG1-CB 4.42Å
576L90.7Very high86Confident6 Ų667.5 Ų67.53%0.03134%0.337CS..SBendtrans-75-26.4-180-71.7178.5000113W522 V607 H608 K611 L675W522-L576 HydrophobicContact CB-CD2 3.81Å; W522-L576 HydrophobicContact CG-CB 4.39Å; W522-L576 HydrophobicContact CG-CD2 4.45Å; L576-V607 HydrophobicContact CD2-CG1 4.07Å; L576-H608 HydrophobicContact CD2-CB 4.41Å; L576-K611 HydrophobicContact CD1-CB 4.07Å; L576-K611 HydrophobicContact CD1-CD 4.25Å; L576-K611 HydrophobicContact CD1-CG 3.8Å; L576-K611 HydrophobicContact CD2-CB 4.03Å; L576-K611 HydrophobicContact CD2-CG 4.48Å; L576-K611 HydrophobicContact CG-CB 4.19Å; L576-K611 HydrophobicContact CG-CD 4.06Å; L576-K611 HydrophobicContact CG-CG 4.09Å; L576-L675 HydrophobicContact CB-CD2 4.06Å; L576-L675 HydrophobicContact CD1-CD2 3.91Å; L576-L675 PolarHBondContact N-O 2.89Å
577R90.4Very high85.4Confident19 Ų1969.4 Ų69.47%0.07235%0.351CS..SBendtrans-126.574.7177.1-170.6-178.866.7159.34.4110.8E520 N579 M580 T583 Y671 L675 D676E520-R577 WeakPolarHBondContact OE1-CD 3.01Å; R577-N579 PolarHBondContact O-N 3.03Å; R577-N579 VanDerWaalsContact O-N 3.16Å; R577-M580 PolarHBondContact O-N 3.14Å; R577-M580 VanDerWaalsContact O-N 3.13Å; R577-T583 HydrophobicContact CG-CG2 4.11Å; R577-T583 WeakPolarHBondContact CG-OG1 3.25Å; R577-Y671 VanDerWaalsContact NH1-CZ 3.33Å; R577-L675 HydrophobicContact CB-CB 4.04Å; R577-L675 PolarHBondContact N-O 2.87Å; R577-D676 IonicContact CZ-OD1 3.47Å; R577-D676 VanDerWaalsContact CZ-OD1 3.26Å; R577-D676 IonicContact CZ-OD2 2.92Å; R577-D676 IonicContact NE-OD1 3.25Å; R577-D676 PolarHBondContact NE-OD1 2.75Å; R577-D676 IonicContact NE-OD2 3.95Å; R577-D676 IonicContact NH2-OD1 2.69Å; R577-D676 PolarHBondContact NH2-OD1 3.08Å; R577-D676 IonicContact NH2-OD2 3.38Å; R577-D676 PolarHBondContact NH2-OD2 2.89Å
578P85.3Confident84.7Confident23 Ų2370.2 Ų70.215%0.14936%0.359CS..THydrogen-bonded Turntrans-67.3-18.8-170.527.4-36.1000114T519 K595T519-P578 HydrophobicContact CG2-CG 4.02Å; T519-P578 WeakPolarHBondContact O-CD 3.45Å; P578-K595 HydrophobicContact CB-CB 4.43Å; P578-K595 HydrophobicContact CB-CD 3.92Å; P578-K595 HydrophobicContact CG-CB 4.35Å; P578-K595 HydrophobicContact CG-CD 4.5Å; P578-K595 WeakPolarHBondContact O-CD 3.38Å; P578-K595 PolarHBondContact O-NZ 2.88Å
579N78.6Confident84Confident23 Ų2365.3 Ų65.312%0.12334%0.336CS..THydrogen-bonded Turntrans-83.8-8.6176.5-88.5-12.3000114.4T519 R577 D581 R582 T583 K595T519-N579 HydrophobicContact CG2-CB 4.25Å; T519-N579 WeakPolarHBondContact CG2-ND2 3.48Å; T519-N579 PolarHBondContact OG1-ND2 3.03Å; R577-N579 PolarHBondContact O-N 3.03Å; R577-N579 VanDerWaalsContact O-N 3.16Å; N579-D581 PolarHBondContact O-N 2.74Å; N579-D581 VanDerWaalsContact O-N 3.09Å; N579-R582 PolarHBondContact O-N 3.12Å; N579-T583 WeakPolarHBondContact CB-OG1 3.46Å; N579-K595 WeakPolarHBondContact OD1-CD 3.22Å; N579-K595 WeakPolarHBondContact OD1-CE 3.49Å; N579-K595 VanDerWaalsContact OD1-CG 3.24Å; N579-K595 WeakPolarHBondContact OD1-CG 3.47Å
580M82.2Confident83.3Confident84 Ų8464.2 Ų64.241%0.41433%0.329SS..G310 helixtrans43.1-114178.5-58.7177.472.400112.1R577 R582 T583 D676R577-M580 PolarHBondContact O-N 3.14Å; R577-M580 VanDerWaalsContact O-N 3.13Å; M580-R582 PolarHBondContact O-N 2.59Å; M580-T583 PolarHBondContact N-OG1 3.13Å; M580-T583 WeakPolarHBondContact O-CB 3.43Å; M580-T583 PolarHBondContact O-N 3.22Å; M580-T583 PolarHBondContact O-OG1 3.19Å; M580-D676 HydrophobicContact CE-CB 4.22Å; M580-D676 HydrophobicContact CG-CB 4.45Å
581D75.1Confident82.7Confident136 Ų13660.5 Ų60.573%0.72731%0.31SS*.G310 helixtrans-68.4-17.2-176-58.8-35.9000114.4N579 Q585N579-D581 PolarHBondContact O-N 2.74Å; N579-D581 VanDerWaalsContact O-N 3.09Å; D581-Q585 PolarHBondContact O-NE2 3.03Å
582R77.8Confident82.3Confident172 Ų17255.1 Ų55.165%0.64929%0.288SS*.G310 helixtrans-99.22.2-179.7-64.3-177.965.2-163.8-3.8113.5N579 M580 G584 Q585N579-R582 PolarHBondContact O-N 3.12Å; M580-R582 PolarHBondContact O-N 2.59Å; R582-G584 PolarHBondContact O-N 3.42Å; R582-Q585 VanDerWaalsContact O-CB 3.3Å; R582-Q585 WeakPolarHBondContact O-CB 3.37Å; R582-Q585 PolarHBondContact O-N 3.15Å
583T80.1Confident82.1Confident16 Ų1651.7 Ų51.710%0.09828%0.276CS..THydrogen-bonded Turntrans-59.9126.6-179.4-50.40000110.4D517 E520 R577 N579 M580 Q585 L645D517-T583 HydrophobicContact CB-CG2 4.12Å; E520-T583 HydrophobicContact CG-CG2 3.56Å; R577-T583 HydrophobicContact CG-CG2 4.11Å; R577-T583 WeakPolarHBondContact CG-OG1 3.25Å; N579-T583 WeakPolarHBondContact CB-OG1 3.46Å; M580-T583 PolarHBondContact N-OG1 3.13Å; M580-T583 WeakPolarHBondContact O-CB 3.43Å; M580-T583 PolarHBondContact O-N 3.22Å; M580-T583 PolarHBondContact O-OG1 3.19Å; T583-Q585 VanDerWaalsContact C-N 3.25Å; T583-Q585 PolarHBondContact O-N 3.26Å; T583-L645 HydrophobicContact CG2-CD2 4.12Å
584G77.4Confident81.8Confident14 Ų1450.9 Ų50.914%0.14427%0.271CS..THydrogen-bonded Turntrans78.21.5-177.500000115D517 R582D517-G584 PolarHBondContact OD2-N 3.25Å; R582-G584 PolarHBondContact O-N 3.42Å
585Q78.9Confident81.3Confident117 Ų11753.3 Ų53.355%0.54728%0.282SS..  trans-87.9140.7174.7-60.2-179.20.100110.9D581 R582 T583D581-Q585 PolarHBondContact O-NE2 3.03Å; R582-Q585 VanDerWaalsContact O-CB 3.3Å; R582-Q585 WeakPolarHBondContact O-CB 3.37Å; R582-Q585 PolarHBondContact O-N 3.15Å; T583-Q585 VanDerWaalsContact C-N 3.25Å; T583-Q585 PolarHBondContact O-N 3.26Å
586V80.3Confident80.9Confident61 Ų6152.7 Ų52.737%0.3728%0.278SS..  trans-122.4160.7176.7-63.20000109.5
587S80.4Confident80.3Confident52 Ų5254.1 Ų54.136%0.36429%0.291SS..  trans-63.6170.5170.171.80000111.4N21 S589 G590 S591N21-S587 PolarHBondContact ND2-O 3.46Å; S587-S589 PolarHBondContact O-N 2.95Å; S587-S589 VanDerWaalsContact O-N 3.12Å; S587-S589 PolarHBondContact OG-N 3.42Å; S587-S589 PolarHBondContact OG-OG 2.95Å; S587-G590 PolarHBondContact O-N 3.36Å; S587-S591 PolarHBondContact N-O 2.8Å; S587-S591 WeakPolarHBondContact OG-CB 3.46Å; S587-S591 PolarHBondContact OG-N 3.13Å; S587-S591 VanDerWaalsContact OG-N 3.12Å; S587-S591 PolarHBondContact OG-O 3.2Å
588D77.3Confident79.6Confident155 Ų15555.7 Ų55.783%0.82930%0.3SS*.THydrogen-bonded Turntrans-52.6-36.3174.7-66-20.2000112.4N21 G590N21-D588 WeakPolarHBondContact CB-O 3.36Å; N21-D588 PolarHBondContact ND2-O 2.76Å; N21-D588 VanDerWaalsContact ND2-O 3.09Å; D588-G590 VanDerWaalsContact C-N 3.3Å; D588-G590 PolarHBondContact O-N 3.39Å
589S75.6Confident79.4Confident38 Ų3855 Ų5527%0.26630%0.296SS..THydrogen-bonded Turntrans-74.9-15.617765.40000114.3N19 T20 N21 S587N19-S589 CarbonylContact C-O 3.53Å; N19-S589 WeakPolarHBondContact CA-O 3.4Å; T20-S589 PolarHBondContact N-O 3.44Å; N21-S589 PolarHBondContact N-O 3.45Å; N21-S589 VanDerWaalsContact N-O 3.12Å; S587-S589 PolarHBondContact O-N 2.95Å; S587-S589 VanDerWaalsContact O-N 3.12Å; S587-S589 PolarHBondContact OG-N 3.42Å; S587-S589 PolarHBondContact OG-OG 2.95Å
590G76Confident79.3Confident0 Ų056.3 Ų56.30%031%0.305CS..SBendtrans90.78.5-172.100000114A18 T20 N21 S587 D588A18-G590 CarbonylContact O-C 3.47Å; T20-G590 WeakPolarHBondContact OG1-CA 3.49Å; T20-G590 PolarHBondContact OG1-O 3.07Å; N21-G590 WeakPolarHBondContact ND2-CA 3.36Å; N21-G590 PolarHBondContact ND2-N 2.76Å; S587-G590 PolarHBondContact O-N 3.36Å; D588-G590 VanDerWaalsContact C-N 3.3Å; D588-G590 PolarHBondContact O-N 3.39Å
591S79Confident79.1Confident24 Ų2456.2 Ų56.217%0.16831%0.306CS..  trans-74.2148.2172.9171.60000110.3L16 S587L16-S591 WeakPolarHBondContact O-CA 3.29Å; L16-S591 VanDerWaalsContact O-CB 3.26Å; L16-S591 WeakPolarHBondContact O-CB 3.46Å; L16-S591 PolarHBondContact O-OG 2.96Å; S587-S591 PolarHBondContact N-O 2.8Å; S587-S591 WeakPolarHBondContact OG-CB 3.46Å; S587-S591 PolarHBondContact OG-N 3.13Å; S587-S591 VanDerWaalsContact OG-N 3.12Å; S587-S591 PolarHBondContact OG-O 3.2Å
592S82.8Confident79.4Confident24 Ų2451.9 Ų51.917%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-141.4173.8-179.350.20000111.1L16L16-S592 WeakPolarHBondContact CD1-OG 3.24Å; L16-S592 PolarHBondContact N-O 2.63Å; L16-S592 PolarHBondContact O-N 2.64Å; L16-S592 VanDerWaalsContact O-N 3.13Å
593T82.3Confident79.4Confident54 Ų5447.8 Ų47.833%0.33128%0.275SS..EExtended strand (participates in β ladder)trans-128.2151175.658.40000110.1D13 L14D13-T593 HydrophobicContact CB-CG2 4.39Å; L14-T593 WeakPolarHBondContact O-CA 3.42Å
594I82.8Confident79.4Confident3 Ų349 Ų492%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-113.1115.6176-53.7173.5000108.6L14 L16 I237 W518 H596 A597L14-I594 PolarHBondContact N-O 2.81Å; L14-I594 VanDerWaalsContact N-O 3.15Å; L14-I594 PolarHBondContact O-N 3.45Å; L16-I594 HydrophobicContact CD1-CD1 4.07Å; L16-I594 HydrophobicContact CD1-CG1 4.28Å; L16-I594 HydrophobicContact CD2-CD1 3.89Å; L16-I594 HydrophobicContact CD2-CG1 4.42Å; L16-I594 HydrophobicContact CG-CD1 4.17Å; L16-I594 HydrophobicContact CG-CG1 4.25Å; I237-I594 HydrophobicContact CB-CD1 4.36Å; I237-I594 HydrophobicContact CD1-CD1 3.45Å; I237-I594 VanDerWaalsContact CD1-CD1 3.45Å; I237-I594 HydrophobicContact CG1-CD1 4.46Å; I237-I594 HydrophobicContact CG2-CD1 3.41Å; I237-I594 VanDerWaalsContact CG2-CD1 3.41Å; W518-I594 HydrophobicContact CB-CD1 4.07Å; W518-I594 HydrophobicContact CB-CG1 4.11Å; W518-I594 HydrophobicContact CB-CG2 4.13Å; W518-I594 HydrophobicContact CG-CD1 3.96Å; W518-I594 HydrophobicContact CG-CG1 4.42Å; I594-H596 PolarHBondContact O-N 3.38Å; I594-A597 HydrophobicContact CB-CB 3.87Å; I594-A597 HydrophobicContact CG2-CB 3.71Å; I594-A597 PolarHBondContact O-N 2.8Å
595K82.8Confident79.9Confident62 Ų6249.2 Ų49.227%0.2728%0.277SS..THydrogen-bonded Turntrans-63133.6-179.1-80.9-164.4170.3-168.70112.6D13 T519 P578 N579 A597 K602D13-K595 WeakPolarHBondContact OD1-CA 3.41Å; T519-K595 HydrophobicContact CG2-CB 4.21Å; P578-K595 HydrophobicContact CB-CB 4.43Å; P578-K595 HydrophobicContact CB-CD 3.92Å; P578-K595 HydrophobicContact CG-CB 4.35Å; P578-K595 HydrophobicContact CG-CD 4.5Å; P578-K595 WeakPolarHBondContact O-CD 3.38Å; P578-K595 PolarHBondContact O-NZ 2.88Å; N579-K595 WeakPolarHBondContact OD1-CD 3.22Å; N579-K595 WeakPolarHBondContact OD1-CE 3.49Å; N579-K595 VanDerWaalsContact OD1-CG 3.24Å; N579-K595 WeakPolarHBondContact OD1-CG 3.47Å; K595-A597 PolarHBondContact O-N 3.37Å; K595-K602 PolarHBondContact O-NZ 2.85Å
596H82Confident80.5Confident24 Ų2446.3 Ų46.311%0.11126%0.263CS..THydrogen-bonded Turntrans54.119.6177-47.2-65.9000114.5E572 L573 I594 L598 N599 K602E572-H596 IonicContact OE2-CE1 2.67Å; E572-H596 PolarHBondContact OE2-CE1 2.79Å; L573-H596 HydrophobicContact CD2-CB 3.74Å; I594-H596 PolarHBondContact O-N 3.38Å; H596-L598 PolarHBondContact O-N 2.9Å; H596-N599 HydrophobicContact CB-CB 4.09Å; H596-N599 WeakPolarHBondContact O-CB 3.38Å; H596-N599 PolarHBondContact O-N 3.41Å; H596-K602 HydrophobicContact CB-CD 4.19Å; H596-K602 VanDerWaalsContact O-CD 3.25Å; H596-K602 WeakPolarHBondContact O-CD 3.3Å
597A78.9Confident81.1Confident35 Ų3543.6 Ų43.629%0.28925%0.247SC..THydrogen-bonded Turntrans-66-21.6-177.500000113.6L14 I594 K595L14-A597 HydrophobicContact CB-CB 3.69Å; L14-A597 HydrophobicContact CD2-CB 4.22Å; I594-A597 HydrophobicContact CB-CB 3.87Å; I594-A597 HydrophobicContact CG2-CB 3.71Å; I594-A597 PolarHBondContact O-N 2.8Å; K595-A597 PolarHBondContact O-N 3.37Å
598L76.8Confident81.7Confident53 Ų5342.7 Ų42.728%0.27724%0.237SC..THydrogen-bonded Turntrans-91.3-9.6175.3-66.6176.1000113.1L7 P9 L14 H596L7-L598 HydrophobicContact CB-CD1 3.82Å; L7-L598 HydrophobicContact CD1-CD1 3.87Å; P9-L598 HydrophobicContact CB-CB 4Å; P9-L598 VanDerWaalsContact CB-O 3.24Å; P9-L598 WeakPolarHBondContact CB-O 3.34Å; P9-L598 CarbonylContact O-C 3.53Å; L14-L598 HydrophobicContact CB-CG 4.34Å; L14-L598 HydrophobicContact CD1-CD1 4.35Å; L14-L598 HydrophobicContact CD1-CD2 3.77Å; L14-L598 HydrophobicContact CD1-CG 4.09Å; H596-L598 PolarHBondContact O-N 2.9Å
599N80.2Confident82.6Confident9 Ų938.2 Ų38.25%0.04821%0.209CC..  trans-73121.3-177-176.8-60000109.6P9 H596 D601 K602P9-N599 WeakPolarHBondContact O-CA 3.42Å; P9-N599 PolarHBondContact O-N 3Å; H596-N599 HydrophobicContact CB-CB 4.09Å; H596-N599 WeakPolarHBondContact O-CB 3.38Å; H596-N599 PolarHBondContact O-N 3.41Å; N599-D601 VanDerWaalsContact C-N 3.31Å; N599-D601 PolarHBondContact O-N 2.87Å; N599-D601 WeakPolarHBondContact OD1-CA 3.29Å; N599-D601 VanDerWaalsContact OD1-CB 3.26Å; N599-D601 WeakPolarHBondContact OD1-CB 3.38Å; N599-D601 PolarHBondContact OD1-N 3.38Å; N599-K602 HydrophobicContact CB-CB 4.32Å; N599-K602 WeakPolarHBondContact O-CB 3.44Å; N599-K602 PolarHBondContact O-N 2.86Å; N599-K602 PolarHBondContact OD1-N 2.92Å
600P75.9Confident83.6Confident49 Ų4936.8 Ų36.832%0.31820%0.198SC..THydrogen-bonded Turntrans-64.4-35.5-176.125.6-33.4000112.4K602 T603 F604 V840P600-K602 VanDerWaalsContact C-N 3.3Å; P600-K602 PolarHBondContact O-N 3.43Å; P600-T603 WeakPolarHBondContact O-CB 3.42Å; P600-T603 PolarHBondContact O-N 2.96Å; P600-T603 PolarHBondContact O-OG1 2.96Å; P600-F604 WeakPolarHBondContact O-CD2 3.48Å; P600-V840 HydrophobicContact CB-CG2 4.44Å
601D79Confident84.6Confident83 Ų8336.8 Ų36.844%0.44420%0.198SC..G310 helixtrans-64.2-36-180-58.3-27.1000111.3L573 N599 T603 F604 M605L573-D601 HydrophobicContact CD1-CB 4.15Å; N599-D601 VanDerWaalsContact C-N 3.31Å; N599-D601 PolarHBondContact O-N 2.87Å; N599-D601 WeakPolarHBondContact OD1-CA 3.29Å; N599-D601 VanDerWaalsContact OD1-CB 3.26Å; N599-D601 WeakPolarHBondContact OD1-CB 3.38Å; N599-D601 PolarHBondContact OD1-N 3.38Å; D601-T603 PolarHBondContact O-N 3.18Å; D601-T603 VanDerWaalsContact O-N 3.09Å; D601-F604 PolarHBondContact O-N 2.81Å; D601-M605 WeakPolarHBondContact O-CG 3.45Å; D601-M605 PolarHBondContact O-N 3.15Å
602K81.6Confident85.5Confident44 Ų4435.7 Ų35.719%0.19119%0.19CC..G310 helixtrans-52.1-36.9178.1-173.7-174.7175.7-172.40112E521 L573 K595 H596 N599 P600 F604 M605E521-K602 WeakPolarHBondContact OE1-CE 3.45Å; E521-K602 IonicContact OE1-NZ 2.82Å; E521-K602 PolarHBondContact OE1-NZ 3.02Å; L573-K602 HydrophobicContact CD2-CB 4.46Å; K595-K602 PolarHBondContact O-NZ 2.85Å; H596-K602 HydrophobicContact CB-CD 4.19Å; H596-K602 VanDerWaalsContact O-CD 3.25Å; H596-K602 WeakPolarHBondContact O-CD 3.3Å; N599-K602 HydrophobicContact CB-CB 4.32Å; N599-K602 WeakPolarHBondContact O-CB 3.44Å; N599-K602 PolarHBondContact O-N 2.86Å; N599-K602 PolarHBondContact OD1-N 2.92Å; P600-K602 VanDerWaalsContact C-N 3.3Å; P600-K602 PolarHBondContact O-N 3.43Å; K602-F604 PolarHBondContact O-N 3.18Å; K602-F604 VanDerWaalsContact O-N 3.1Å; K602-M605 PolarHBondContact O-N 3.42Å; K602-M605 VanDerWaalsContact O-N 3.16Å
603T77.9Confident86.2Confident87 Ų8734.7 Ų34.753%0.53418%0.183SC..G310 helixtrans-58.5-25.5-179.7-51.20000112.7P600 D601P600-T603 WeakPolarHBondContact O-CB 3.42Å; P600-T603 PolarHBondContact O-N 2.96Å; P600-T603 PolarHBondContact O-OG1 2.96Å; D601-T603 PolarHBondContact O-N 3.18Å; D601-T603 VanDerWaalsContact O-N 3.09Å
604F79.9Confident87Confident40 Ų4032.1 Ų32.118%0.17517%0.167CC..G310 helixtrans-105.9-6.4-175.3-59.2-73.8000113.2P600 D601 K602 V804 Y805 V840P600-F604 WeakPolarHBondContact O-CD2 3.48Å; D601-F604 PolarHBondContact O-N 2.81Å; K602-F604 PolarHBondContact O-N 3.18Å; K602-F604 VanDerWaalsContact O-N 3.1Å; F604-V804 HydrophobicContact CE1-CB 4.36Å; F604-V804 HydrophobicContact CE1-CG1 3.8Å; F604-V804 HydrophobicContact CE1-CG2 4.43Å; F604-V804 HydrophobicContact CZ-CG1 4.16Å; F604-Y805 WeakPolarHBondContact CB-OH 3.13Å; F604-Y805 PolarHBondContact O-OH 3.12Å; F604-V840 HydrophobicContact CE2-CB 4.09Å; F604-V840 HydrophobicContact CE2-CG1 4.04Å; F604-V840 HydrophobicContact CE2-CG2 3.52Å; F604-V840 HydrophobicContact CZ-CB 4.12Å; F604-V840 HydrophobicContact CZ-CG1 4.19Å; F604-V840 HydrophobicContact CZ-CG2 3.95Å
605M86.7Confident87.7Confident20 Ų2032 Ų3210%0.09917%0.166CC..  trans-74.1135.2-178.4-65.3-63.1-77.200111.6E565 S569 L573 D601 K602 V607 H608E565-M605 HydrophobicContact CG-CE 3.93Å; E565-M605 HydrophobicContact CG-SD 3.93Å; E565-M605 WeakPolarHBondContact OE1-CE 3.24Å; S569-M605 VanDerWaalsContact CB-CE 3.41Å; S569-M605 VanDerWaalsContact OG-CE 3.31Å; S569-M605 WeakPolarHBondContact OG-CE 3.46Å; L573-M605 HydrophobicContact CB-CE 4.01Å; D601-M605 WeakPolarHBondContact O-CG 3.45Å; D601-M605 PolarHBondContact O-N 3.15Å; K602-M605 PolarHBondContact O-N 3.42Å; K602-M605 VanDerWaalsContact O-N 3.16Å; M605-V607 HydrophobicContact CE-CG2 3.59Å; M605-H608 PolarHBondContact O-CE1 3.2Å
606Q92Very high88.4Confident56 Ų5629 Ų2926%0.26215%0.153SC..  trans-106.56.1174.6-58.3179.831.500113E565 H608 Y609 L610E565-Q606 PolarHBondContact OE1-N 3.41Å; E565-Q606 WeakPolarHBondContact OE2-CB 3.33Å; E565-Q606 PolarHBondContact OE2-N 3.22Å; Q606-H608 VanDerWaalsContact C-N 3.27Å; Q606-H608 PolarHBondContact O-N 3.13Å; Q606-Y609 HydrophobicContact CB-CD2 4.34Å; Q606-Y609 WeakPolarHBondContact O-CB 3.38Å; Q606-Y609 PolarHBondContact O-N 3.26Å; Q606-L610 HydrophobicContact CB-CD1 3.9Å; Q606-L610 HydrophobicContact CB-CG 3.99Å; Q606-L610 WeakPolarHBondContact O-CG 3.36Å; Q606-L610 PolarHBondContact O-N 3.35Å
607V93.6Very high89.2Confident4 Ų430 Ų302%0.02416%0.156CC..Hα-helixtrans-46.3-48.3178.2177.20000112.8E565 L566 Q574 L576 M605 Y609 L610 K611E565-V607 WeakPolarHBondContact OE1-CG2 3.25Å; E565-V607 PolarHBondContact OE1-N 2.93Å; L566-V607 HydrophobicContact CD2-CG2 3.79Å; Q574-V607 WeakPolarHBondContact O-CG1 3.22Å; L576-V607 HydrophobicContact CD2-CG1 4.07Å; M605-V607 HydrophobicContact CE-CG2 3.59Å; V607-Y609 VanDerWaalsContact C-N 3.33Å; V607-Y609 PolarHBondContact O-N 3.07Å; V607-L610 PolarHBondContact O-N 2.96Å; V607-K611 HydrophobicContact CG1-CB 4.27Å; V607-K611 HydrophobicContact CG1-CD 4.21Å; V607-K611 VanDerWaalsContact O-CB 3.24Å; V607-K611 WeakPolarHBondContact O-CB 3.39Å; V607-K611 PolarHBondContact O-N 3.41Å
608H92.8Very high90.1Very high32 Ų3229.3 Ų29.315%0.14815%0.147CC..Hα-helixtrans-68.3-29.7-17755.7-78.5000113.3E521 W522 E525 G526 L576 M605 Q606E521-H608 HydrophobicContact CB-CB 4.27Å; E521-H608 IonicContact OE2-CD2 3.47Å; E521-H608 IonicContact OE2-CE1 2.67Å; E521-H608 IonicContact OE2-NE2 2.68Å; W522-H608 HydrophobicContact CB-CB 4.41Å; E525-H608 WeakPolarHBondContact CG-CD2 3.29Å; G526-H608 PolarHBondContact N-O 2.9Å; L576-H608 HydrophobicContact CD2-CB 4.41Å; M605-H608 PolarHBondContact O-CE1 3.2Å; Q606-H608 VanDerWaalsContact C-N 3.27Å; Q606-H608 PolarHBondContact O-N 3.13Å
609Y96.3Very high91Very high62 Ų6226.8 Ų26.824%0.24313%0.133CC..Hα-helixtrans-71.5-56.4169.4-62.4-100.1000111.2H502 E525 T529 Q606 V607 Y613H502-Y609 AromaticContact CE1-CD1 3.95Å; E525-Y609 HydrophobicContact CB-CD1 3.68Å; E525-Y609 HydrophobicContact CB-CD2 4.18Å; E525-Y609 HydrophobicContact CB-CE1 3.8Å; E525-Y609 HydrophobicContact CB-CE2 4.32Å; E525-Y609 HydrophobicContact CB-CG 3.86Å; E525-Y609 HydrophobicContact CG-CD1 4.22Å; E525-Y609 HydrophobicContact CG-CD2 4.45Å; E525-Y609 HydrophobicContact CG-CE1 3.81Å; E525-Y609 HydrophobicContact CG-CE2 4.1Å; E525-Y609 WeakPolarHBondContact OE2-CE1 3.35Å; E525-Y609 PolarHBondContact OE2-OH 3.35Å; T529-Y609 WeakPolarHBondContact OG1-CD1 3.2Å; Q606-Y609 HydrophobicContact CB-CD2 4.34Å; Q606-Y609 WeakPolarHBondContact O-CB 3.38Å; Q606-Y609 PolarHBondContact O-N 3.26Å; V607-Y609 VanDerWaalsContact C-N 3.33Å; V607-Y609 PolarHBondContact O-N 3.07Å; Y609-Y613 WeakPolarHBondContact O-CB 3.27Å; Y609-Y613 PolarHBondContact O-N 2.99Å
610L97.4Very high91.8Very high7 Ų726.4 Ų26.44%0.03713%0.132CC..Hα-helixtrans-81.8-45.2-164.4-58.2-180000112.6R558 R561 L562 Q606 V607 Y613 F614R558-L610 HydrophobicContact CB-CD2 3.99Å; R558-L610 HydrophobicContact CG-CD2 3.83Å; R561-L610 HydrophobicContact CB-CD1 4.24Å; R561-L610 HydrophobicContact CG-CD1 4.01Å; L562-L610 HydrophobicContact CB-CB 4.12Å; L562-L610 HydrophobicContact CB-CD1 3.88Å; L562-L610 HydrophobicContact CD1-CB 4.12Å; L562-L610 HydrophobicContact CD2-CB 4.23Å; L562-L610 HydrophobicContact CG-CB 4.39Å; Q606-L610 HydrophobicContact CB-CD1 3.9Å; Q606-L610 HydrophobicContact CB-CG 3.99Å; Q606-L610 WeakPolarHBondContact O-CG 3.36Å; Q606-L610 PolarHBondContact O-N 3.35Å; V607-L610 PolarHBondContact O-N 2.96Å; L610-Y613 WeakPolarHBondContact O-CB 3.46Å; L610-Y613 PolarHBondContact O-N 2.85Å; L610-F614 WeakPolarHBondContact O-CD2 3.39Å; L610-F614 PolarHBondContact O-N 3.01Å
611K96.5Very high92.8Very high1 Ų126.4 Ų26.40%0.00413%0.133CC..Hα-helixtrans-71.9-34.1178.3-168173.4172.81720110.6L562 Q574 L576 V607 F614 L615 W674 R677 G679L562-K611 HydrophobicContact CD2-CB 4.19Å; Q574-K611 PolarHBondContact O-NZ 3.27Å; Q574-K611 VanDerWaalsContact O-NZ 3.09Å; L576-K611 HydrophobicContact CD1-CB 4.07Å; L576-K611 HydrophobicContact CD1-CD 4.25Å; L576-K611 HydrophobicContact CD1-CG 3.8Å; L576-K611 HydrophobicContact CD2-CB 4.03Å; L576-K611 HydrophobicContact CD2-CG 4.48Å; L576-K611 HydrophobicContact CG-CB 4.19Å; L576-K611 HydrophobicContact CG-CD 4.06Å; L576-K611 HydrophobicContact CG-CG 4.09Å; V607-K611 HydrophobicContact CG1-CB 4.27Å; V607-K611 HydrophobicContact CG1-CD 4.21Å; V607-K611 VanDerWaalsContact O-CB 3.24Å; V607-K611 WeakPolarHBondContact O-CB 3.39Å; V607-K611 PolarHBondContact O-N 3.41Å; K611-F614 PolarHBondContact O-N 3.48Å; K611-L615 PolarHBondContact O-N 3.08Å; K611-W674 VanDerWaalsContact CE-O 3.23Å; K611-W674 WeakPolarHBondContact CE-O 3.4Å; K611-W674 HydrophobicContact CG-CE3 4.32Å; K611-R677 PolarHBondContact NZ-O 3.34Å; K611-G679 PolarHBondContact NZ-O 2.93Å
612G97.1Very high93.6Very high0 Ų024.9 Ų24.90%012%0.123CC..Hα-helixtrans-60.8-47167.400000112.8F614 L615 L616G612-F614 VanDerWaalsContact C-N 3.33Å; G612-F614 PolarHBondContact O-N 3.34Å; G612-L615 PolarHBondContact O-N 3.42Å; G612-L616 PolarHBondContact O-N 3.37Å; G612-L616 VanDerWaalsContact O-N 3.08Å
613Y98.2Very high94.3Very high4 Ų423.6 Ų23.62%0.01612%0.119CC..Hα-helixtrans-55-46.1172.4165.3-93.4000112.4T529 F530 R558 Y609 L610 L616 R617T529-Y613 HydrophobicContact CG2-CD2 4Å; T529-Y613 HydrophobicContact CG2-CG 4.14Å; F530-Y613 HydrophobicContact CB-CD2 4.05Å; F530-Y613 HydrophobicContact CD2-CD2 4.23Å; F530-Y613 HydrophobicContact CD2-CE2 4.25Å; R558-Y613 PolarHBondContact NH1-OH 3.13Å; Y609-Y613 WeakPolarHBondContact O-CB 3.27Å; Y609-Y613 PolarHBondContact O-N 2.99Å; L610-Y613 WeakPolarHBondContact O-CB 3.46Å; L610-Y613 PolarHBondContact O-N 2.85Å; Y613-L616 PolarHBondContact O-N 3.2Å; Y613-R617 HydrophobicContact CD1-CG 4.49Å; Y613-R617 HydrophobicContact CE1-CG 3.97Å; Y613-R617 HydrophobicContact CE2-CG 4.19Å; Y613-R617 PolarHBondContact O-N 3.02Å; Y613-R617 WeakPolarHBondContact OH-CD 3.4Å
614F98.2Very high95.1Very high0 Ų020.9 Ų20.90%011%0.108CC..Hα-helixtrans-70.3-33.4-179.7-74-57.7000113.1A555 R558 W559 L562 L610 K611 G612 R617 F618 W674 L684 W691A555-F614 HydrophobicContact CB-CE1 4.33Å; A555-F614 WeakPolarHBondContact O-CZ 3.37Å; R558-F614 HydrophobicContact CB-CE2 4.22Å; R558-F614 HydrophobicContact CB-CZ 3.85Å; W559-F614 HydrophobicContact CB-CE2 4.38Å; W559-F614 HydrophobicContact CB-CZ 3.82Å; L562-F614 HydrophobicContact CD2-CD2 3.73Å; L562-F614 HydrophobicContact CD2-CE2 3.92Å; L610-F614 WeakPolarHBondContact O-CD2 3.39Å; L610-F614 PolarHBondContact O-N 3.01Å; K611-F614 PolarHBondContact O-N 3.48Å; G612-F614 VanDerWaalsContact C-N 3.33Å; G612-F614 PolarHBondContact O-N 3.34Å; F614-R617 PolarHBondContact O-N 2.95Å; F614-F618 WeakPolarHBondContact O-CB 3.45Å; F614-F618 PolarHBondContact O-N 3.28Å; F614-W674 HydrophobicContact CB-CH2 3.91Å; F614-W674 HydrophobicContact CB-CZ3 3.66Å; F614-L684 HydrophobicContact CB-CD1 4.31Å; F614-L684 HydrophobicContact CB-CD2 4.05Å; F614-L684 HydrophobicContact CD1-CD1 3.46Å; F614-L684 VanDerWaalsContact CD1-CD1 3.46Å; F614-L684 HydrophobicContact CD1-CD2 4.31Å; F614-L684 HydrophobicContact CD2-CD1 4.15Å; F614-L684 HydrophobicContact CD2-CD2 3.52Å; F614-L684 HydrophobicContact CE1-CD1 3.7Å; F614-L684 HydrophobicContact CE2-CD1 4.37Å; F614-L684 HydrophobicContact CE2-CD2 4.03Å; F614-L684 HydrophobicContact CG-CD1 3.72Å; F614-L684 HydrophobicContact CG-CD2 3.71Å; F614-L684 HydrophobicContact CG-CG 4.41Å; F614-L684 HydrophobicContact CZ-CD1 4.16Å; F614-W691 AromaticContact CD1-CH2 4Å; F614-W691 HydrophobicContact CD1-CH2 4Å; F614-W691 HydrophobicContact CD1-CZ3 4.36Å; F614-W691 AromaticContact CE1-CH2 3.71Å; F614-W691 HydrophobicContact CE1-CH2 3.71Å; F614-W691 AromaticContact CE1-CZ3 3.7Å; F614-W691 HydrophobicContact CE1-CZ3 3.7Å; F614-W691 HydrophobicContact CZ-CZ3 4.45Å
615L98Very high95.8Very high0 Ų023.8 Ų23.80%013%0.125CC..Hα-helixtrans-59.7-47.9170.9173.556.4000110.2W522 K611 G612 R617 F618 L619 I670 W674 L675W522-L615 HydrophobicContact CE3-CD2 4.37Å; W522-L615 HydrophobicContact CH2-CD2 3.78Å; W522-L615 HydrophobicContact CZ2-CD2 4.3Å; W522-L615 HydrophobicContact CZ3-CD2 3.82Å; K611-L615 PolarHBondContact O-N 3.08Å; G612-L615 PolarHBondContact O-N 3.42Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.11Å; L615-F618 HydrophobicContact CD1-CD1 4.3Å; L615-F618 WeakPolarHBondContact O-CB 3.37Å; L615-F618 PolarHBondContact O-N 3.07Å; L615-F618 VanDerWaalsContact O-N 3.15Å; L615-L619 HydrophobicContact CD1-CD1 4.5Å; L615-L619 HydrophobicContact CD1-CG 4.28Å; L615-L619 WeakPolarHBondContact O-CG 3.29Å; L615-L619 PolarHBondContact O-N 2.8Å; L615-I670 HydrophobicContact CD1-CG2 4.03Å; L615-W674 HydrophobicContact CB-CD2 4.15Å; L615-W674 HydrophobicContact CB-CE3 3.76Å; L615-W674 HydrophobicContact CB-CZ3 4.23Å; L615-W674 HydrophobicContact CD1-CB 4.07Å; L615-W674 HydrophobicContact CD1-CD2 3.91Å; L615-W674 HydrophobicContact CD1-CE3 4.41Å; L615-W674 HydrophobicContact CD1-CG 3.73Å; L615-W674 HydrophobicContact CD2-CB 4.37Å; L615-L675 HydrophobicContact CD2-CD2 3.78Å
616L98.3Very high96.1Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-64.4-37.1177.4-65.1176.8000112.5F527 F530 G612 Y613 L619 A620 F632 F649F527-L616 HydrophobicContact CB-CD1 4.34Å; F527-L616 HydrophobicContact CD1-CD1 4.03Å; F527-L616 HydrophobicContact CD2-CD1 3.94Å; F527-L616 HydrophobicContact CE1-CD1 4.33Å; F527-L616 HydrophobicContact CE1-CD2 4.15Å; F527-L616 HydrophobicContact CE2-CD1 4.26Å; F527-L616 HydrophobicContact CE2-CD2 4.19Å; F527-L616 HydrophobicContact CG-CD1 3.85Å; F527-L616 HydrophobicContact CZ-CD1 4.45Å; F527-L616 HydrophobicContact CZ-CD2 3.91Å; F530-L616 HydrophobicContact CB-CB 4.16Å; F530-L616 HydrophobicContact CB-CD1 3.63Å; F530-L616 HydrophobicContact CD1-CB 4.31Å; F530-L616 HydrophobicContact CD1-CD1 4.26Å; F530-L616 HydrophobicContact CD2-CB 3.68Å; F530-L616 HydrophobicContact CE2-CB 4.13Å; F530-L616 HydrophobicContact CG-CB 3.79Å; F530-L616 HydrophobicContact CG-CD1 3.95Å; G612-L616 PolarHBondContact O-N 3.37Å; G612-L616 VanDerWaalsContact O-N 3.08Å; Y613-L616 PolarHBondContact O-N 3.2Å; L616-L619 HydrophobicContact CD2-CD1 4.45Å; L616-L619 PolarHBondContact O-N 2.95Å; L616-A620 WeakPolarHBondContact O-CB 3.46Å; L616-A620 PolarHBondContact O-N 3.46Å; L616-F632 HydrophobicContact CD1-CZ 4.47Å; L616-F632 HydrophobicContact CD2-CE1 4.38Å; L616-F632 HydrophobicContact CD2-CZ 4.13Å; L616-F649 HydrophobicContact CD2-CE1 4.1Å; L616-F649 HydrophobicContact CD2-CZ 3.91Å
617R97.4Very high96.4Very high43 Ų4330.8 Ų30.816%0.16216%0.158CC..Hα-helixtrans-64.5-38171.4-79.7-14061.6177.70.2113.2F530 D552 Y613 F614 L615 A620 S621 W683F530-R617 HydrophobicContact CD2-CG 4.05Å; F530-R617 HydrophobicContact CE2-CG 3.91Å; D552-R617 IonicContact OD1-NH1 3.88Å; Y613-R617 HydrophobicContact CD1-CG 4.49Å; Y613-R617 HydrophobicContact CE1-CG 3.97Å; Y613-R617 HydrophobicContact CE2-CG 4.19Å; Y613-R617 PolarHBondContact O-N 3.02Å; Y613-R617 WeakPolarHBondContact OH-CD 3.4Å; F614-R617 PolarHBondContact O-N 2.95Å; L615-R617 VanDerWaalsContact C-N 3.34Å; L615-R617 PolarHBondContact O-N 3.11Å; R617-A620 PolarHBondContact O-N 3.17Å; R617-S621 PolarHBondContact O-N 2.71Å; R617-W683 HydrophobicContact CB-CH2 4.49Å
618F97.5Very high96.6Very high22 Ų2230.6 Ų30.610%0.09616%0.156CC..Hα-helixtrans-61.5-50.4174.5165-105.7000110.1F614 L615 A620 S621 E622 L665 W674 W683F614-F618 WeakPolarHBondContact O-CB 3.45Å; F614-F618 PolarHBondContact O-N 3.28Å; L615-F618 HydrophobicContact CD1-CD1 4.3Å; L615-F618 WeakPolarHBondContact O-CB 3.37Å; L615-F618 PolarHBondContact O-N 3.07Å; L615-F618 VanDerWaalsContact O-N 3.15Å; F618-A620 VanDerWaalsContact C-N 3.33Å; F618-A620 PolarHBondContact O-N 2.93Å; F618-S621 WeakPolarHBondContact O-CB 3.37Å; F618-S621 PolarHBondContact O-N 2.93Å; F618-S621 PolarHBondContact O-OG 3.02Å; F618-E622 HydrophobicContact CE2-CG 4.31Å; F618-E622 HydrophobicContact CZ-CG 4.29Å; F618-E622 PolarHBondContact O-N 3.09Å; F618-L665 HydrophobicContact CE1-CD1 3.8Å; F618-L665 HydrophobicContact CE1-CD2 4.14Å; F618-L665 HydrophobicContact CZ-CD1 3.81Å; F618-L665 HydrophobicContact CZ-CD2 4.39Å; F618-W674 HydrophobicContact CB-CH2 4.21Å; F618-W674 HydrophobicContact CB-CZ2 3.7Å; F618-W674 HydrophobicContact CD1-CZ2 4.37Å; F618-W674 AromaticContact CD1-NE1 3.84Å; F618-W674 HydrophobicContact CD2-CZ2 4.41Å; F618-W674 AromaticContact CG-CZ2 3.91Å; F618-W674 HydrophobicContact CG-CZ2 3.91Å; F618-W683 HydrophobicContact CB-CD2 4.3Å; F618-W683 HydrophobicContact CB-CE3 4.12Å; F618-W683 HydrophobicContact CB-CH2 4.02Å; F618-W683 HydrophobicContact CB-CZ2 4.19Å; F618-W683 HydrophobicContact CB-CZ3 3.99Å; F618-W683 AromaticContact CD2-CD1 3.7Å; F618-W683 AromaticContact CD2-CD2 3.67Å; F618-W683 HydrophobicContact CD2-CD2 3.67Å; F618-W683 AromaticContact CD2-CE2 3.58Å; F618-W683 HydrophobicContact CD2-CE3 4.3Å; F618-W683 AromaticContact CD2-CG 3.75Å; F618-W683 HydrophobicContact CD2-CG 3.75Å; F618-W683 HydrophobicContact CD2-CZ2 4.14Å; F618-W683 AromaticContact CD2-NE1 3.56Å; F618-W683 AromaticContact CE2-CD1 3.86Å; F618-W683 HydrophobicContact CE2-CG 4.17Å; F618-W683 AromaticContact CE2-NE1 4Å; F618-W683 HydrophobicContact CG-CD2 4.43Å
619L97.4Very high96.8Very high0 Ų029.8 Ų29.80%015%0.153CC..Hα-helixtrans-59.6-42.4175.8-61.4-178.4000111.7L615 L616 S621 E622 V623 F649 L650 F653 L665 I670L615-L619 HydrophobicContact CD1-CD1 4.5Å; L615-L619 HydrophobicContact CD1-CG 4.28Å; L615-L619 WeakPolarHBondContact O-CG 3.29Å; L615-L619 PolarHBondContact O-N 2.8Å; L616-L619 HydrophobicContact CD2-CD1 4.45Å; L616-L619 PolarHBondContact O-N 2.95Å; L619-S621 VanDerWaalsContact C-N 3.27Å; L619-S621 PolarHBondContact O-N 2.71Å; L619-E622 PolarHBondContact O-N 2.97Å; L619-E622 VanDerWaalsContact O-N 3.1Å; L619-V623 WeakPolarHBondContact O-CG2 3.14Å; L619-V623 PolarHBondContact O-N 3.5Å; L619-F649 HydrophobicContact CD1-CE1 3.91Å; L619-F649 HydrophobicContact CD1-CZ 4.45Å; L619-L650 HydrophobicContact CD1-CD2 4.14Å; L619-F653 HydrophobicContact CB-CE1 4.23Å; L619-F653 HydrophobicContact CB-CE2 4.31Å; L619-F653 HydrophobicContact CB-CZ 3.8Å; L619-F653 HydrophobicContact CD1-CD1 4.5Å; L619-F653 HydrophobicContact CD1-CE1 4.39Å; L619-F653 HydrophobicContact CD1-CZ 4.49Å; L619-F653 HydrophobicContact CD2-CD1 4.23Å; L619-F653 HydrophobicContact CD2-CE1 3.67Å; L619-F653 HydrophobicContact CD2-CZ 4.15Å; L619-F653 HydrophobicContact CG-CE1 4.29Å; L619-F653 HydrophobicContact CG-CZ 4.35Å; L619-L665 HydrophobicContact CD2-CD2 4.4Å; L619-I670 HydrophobicContact CD2-CD1 4.46Å
620A96.8Very high96.9Very high1 Ų130 Ų301%0.00816%0.158CC..Hα-helixtrans-59.1-38.4174.600000112.1F530 L616 R617 F618 E622 G624 L628F530-A620 HydrophobicContact CZ-CB 4.31Å; L616-A620 WeakPolarHBondContact O-CB 3.46Å; L616-A620 PolarHBondContact O-N 3.46Å; R617-A620 PolarHBondContact O-N 3.17Å; F618-A620 VanDerWaalsContact C-N 3.33Å; F618-A620 PolarHBondContact O-N 2.93Å; A620-E622 PolarHBondContact O-N 3.31Å; A620-G624 CarbonylContact O-C 3.54Å; A620-G624 WeakPolarHBondContact O-CA 3.34Å; A620-G624 PolarHBondContact O-N 3.45Å; A620-L628 HydrophobicContact CB-CD2 3.54Å
621S95.5Very high96.9Very high49 Ų4929.9 Ų29.934%0.34316%0.157SC..Hα-helixtrans-68.7-23.6178.382.60000113.4R617 F618 L619 W683R617-S621 PolarHBondContact O-N 2.71Å; F618-S621 WeakPolarHBondContact O-CB 3.37Å; F618-S621 PolarHBondContact O-N 2.93Å; F618-S621 PolarHBondContact O-OG 3.02Å; L619-S621 VanDerWaalsContact C-N 3.27Å; L619-S621 PolarHBondContact O-N 2.71Å; S621-W683 WeakPolarHBondContact OG-CZ2 3.35Å
622E95.7Very high97Very high51 Ų5129.8 Ų29.824%0.23816%0.157CC..Hα-helixtrans-83.2-35.4179.2-73-56.1129.400113.4F618 L619 A620 L660 K663F618-E622 HydrophobicContact CE2-CG 4.31Å; F618-E622 HydrophobicContact CZ-CG 4.29Å; F618-E622 PolarHBondContact O-N 3.09Å; L619-E622 PolarHBondContact O-N 2.97Å; L619-E622 VanDerWaalsContact O-N 3.1Å; A620-E622 PolarHBondContact O-N 3.31Å; E622-L660 HydrophobicContact CB-CD2 3.82Å; E622-K663 WeakPolarHBondContact OE2-CD 3.24Å; E622-K663 IonicContact OE2-NZ 3.34Å; E622-K663 PolarHBondContact OE2-NZ 3.48Å
623V96.8Very high96.9Very high17 Ų1732.5 Ų32.510%0.10317%0.167CC..Hα-helixtrans-113.5-17-174.4-55.40000114.5L619 H627 L628 F653 F657 L660L619-V623 WeakPolarHBondContact O-CG2 3.14Å; L619-V623 PolarHBondContact O-N 3.5Å; V623-H627 HydrophobicContact CG2-CB 4.39Å; V623-H627 PolarHBondContact O-ND1 3.08Å; V623-L628 HydrophobicContact CG2-CB 4.12Å; V623-F653 HydrophobicContact CG1-CE1 4.41Å; V623-F653 HydrophobicContact CG1-CE2 4.25Å; V623-F653 HydrophobicContact CG1-CZ 3.62Å; V623-F653 HydrophobicContact CG2-CE2 4.11Å; V623-F653 HydrophobicContact CG2-CZ 4.07Å; V623-F657 HydrophobicContact CB-CD1 4.3Å; V623-F657 HydrophobicContact CB-CE1 4.22Å; V623-F657 HydrophobicContact CB-CE2 4.48Å; V623-F657 HydrophobicContact CB-CG 4.46Å; V623-F657 HydrophobicContact CB-CZ 4.31Å; V623-F657 HydrophobicContact CG1-CB 4.1Å; V623-F657 HydrophobicContact CG1-CD1 3.95Å; V623-F657 HydrophobicContact CG1-CD2 3.84Å; V623-F657 HydrophobicContact CG1-CE1 4.31Å; V623-F657 HydrophobicContact CG1-CE2 4.24Å; V623-F657 HydrophobicContact CG1-CG 3.68Å; V623-F657 HydrophobicContact CG1-CZ 4.45Å; V623-F657 HydrophobicContact CG2-CE2 4.34Å; V623-F657 HydrophobicContact CG2-CZ 4.31Å; V623-L660 HydrophobicContact CG1-CD1 3.87Å; V623-L660 HydrophobicContact CG1-CD2 4.25Å; V623-L660 HydrophobicContact CG1-CG 4.43Å
624G95.9Very high96.7Very high30 Ų3036.2 Ų36.231%0.30919%0.187SC..  trans91.6143.4-173.200000113.3A620 Q626 H627 L628A620-G624 CarbonylContact O-C 3.54Å; A620-G624 WeakPolarHBondContact O-CA 3.34Å; A620-G624 PolarHBondContact O-N 3.45Å; G624-Q626 PolarHBondContact O-N 3.44Å; G624-H627 PolarHBondContact O-N 3.2Å; G624-L628 PolarHBondContact O-N 3.47Å
625D93.2Very high96.6Very high100 Ų10036.3 Ų36.354%0.53519%0.187SC..Hα-helixtrans-55-45.7-172.5-59.3-31.7000113.2L628 I629D625-L628 PolarHBondContact O-N 3.03Å; D625-I629 WeakPolarHBondContact O-CG1 3.45Å; D625-I629 PolarHBondContact O-N 3.14Å
626Q94.8Very high96.5Very high112 Ų11236.5 Ų36.552%0.52319%0.188SC..Hα-helixtrans-65.8-42.1-178-172.45853.600112.1G624 L628 I629 D630G624-Q626 PolarHBondContact O-N 3.44Å; Q626-L628 VanDerWaalsContact C-N 3.29Å; Q626-L628 PolarHBondContact O-N 2.97Å; Q626-I629 PolarHBondContact O-N 3.36Å; Q626-D630 PolarHBondContact NE2-OD1 2.94Å; Q626-D630 VanDerWaalsContact O-CG 3.29Å; Q626-D630 PolarHBondContact O-N 3.18Å
627H97.4Very high96.2Very high112 Ų11240.1 Ų40.152%0.51920%0.204SC..Hα-helixtrans-65.7-34.5177.3-61.1112.8000111.7V623 G624 F631 F657V623-H627 HydrophobicContact CG2-CB 4.39Å; V623-H627 PolarHBondContact O-ND1 3.08Å; G624-H627 PolarHBondContact O-N 3.2Å; H627-F631 VanDerWaalsContact O-CB 3.32Å; H627-F631 WeakPolarHBondContact O-CB 3.32Å; H627-F631 PolarHBondContact O-N 2.75Å; H627-F657 HydrophobicContact CB-CE1 4.17Å; H627-F657 HydrophobicContact CB-CZ 4.17Å
628L97.7Very high95.9Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-66.7-42.3174.5-175.267.7000111.6F530 A620 V623 G624 D625 Q626 F631 F632 F653F530-L628 HydrophobicContact CE1-CD2 3.94Å; F530-L628 HydrophobicContact CZ-CD2 3.69Å; A620-L628 HydrophobicContact CB-CD2 3.54Å; V623-L628 HydrophobicContact CG2-CB 4.12Å; G624-L628 PolarHBondContact O-N 3.47Å; D625-L628 PolarHBondContact O-N 3.03Å; Q626-L628 VanDerWaalsContact C-N 3.29Å; Q626-L628 PolarHBondContact O-N 2.97Å; L628-F631 HydrophobicContact CD1-CD1 4.23Å; L628-F631 CarbonylContact O-C 3.58Å; L628-F631 WeakPolarHBondContact O-CB 3.36Å; L628-F631 PolarHBondContact O-N 3.44Å; L628-F632 HydrophobicContact CD1-CD1 4.4Å; L628-F632 HydrophobicContact CD1-CE1 3.77Å; L628-F632 HydrophobicContact CD1-CZ 4.1Å; L628-F632 HydrophobicContact CD2-CE1 4.43Å; L628-F632 HydrophobicContact CD2-CE2 4.43Å; L628-F632 HydrophobicContact CD2-CZ 3.92Å; L628-F632 HydrophobicContact CG-CD1 4.49Å; L628-F632 HydrophobicContact CG-CE1 3.91Å; L628-F632 HydrophobicContact CG-CE2 4.27Å; L628-F632 HydrophobicContact CG-CZ 3.8Å; L628-F632 WeakPolarHBondContact O-CG 3.28Å; L628-F632 PolarHBondContact O-N 3.26Å; L628-F653 HydrophobicContact CD1-CD2 4.29Å; L628-F653 HydrophobicContact CD1-CE2 3.68Å
629I97.1Very high95.7Very high14 Ų1442.7 Ų42.77%0.07222%0.216CC..Hα-helixtrans-64.3-41.5175.5-67.3-55.3000111.7V445 L531 I534 D625 Q626 F631 F632 R633V445-I629 HydrophobicContact CG1-CD1 4.08Å; V445-I629 HydrophobicContact CG1-CG2 4.18Å; L531-I629 HydrophobicContact CD2-CD1 4.23Å; I534-I629 HydrophobicContact CD1-CD1 3.81Å; I534-I629 HydrophobicContact CD1-CG1 4.5Å; I534-I629 HydrophobicContact CG2-CD1 4.41Å; D625-I629 WeakPolarHBondContact O-CG1 3.45Å; D625-I629 PolarHBondContact O-N 3.14Å; Q626-I629 PolarHBondContact O-N 3.36Å; I629-F631 VanDerWaalsContact C-N 3.29Å; I629-F631 PolarHBondContact O-N 2.83Å; I629-F632 HydrophobicContact CD1-CD2 3.83Å; I629-F632 HydrophobicContact CD1-CE2 4.17Å; I629-F632 WeakPolarHBondContact O-CB 3.41Å; I629-F632 PolarHBondContact O-N 2.77Å; I629-F632 VanDerWaalsContact O-N 3.17Å; I629-R633 PolarHBondContact O-N 3.47Å
630D97.4Very high95.5Very high67 Ų6742.8 Ų42.836%0.35822%0.217SC..Hα-helixtrans-64.2-37.5175.3-66.5-28.2000111.5Q626 R633 L634Q626-D630 PolarHBondContact NE2-OD1 2.94Å; Q626-D630 VanDerWaalsContact O-CG 3.29Å; Q626-D630 PolarHBondContact O-N 3.18Å; D630-R633 PolarHBondContact O-N 3.11Å; D630-R633 IonicContact OD1-CZ 3.75Å; D630-R633 IonicContact OD1-NH1 2.83Å; D630-R633 PolarHBondContact OD1-NH1 3.13Å; D630-L634 PolarHBondContact O-N 2.79Å; D630-L634 VanDerWaalsContact O-N 3.1Å
631F97.9Very high95.2Very high4 Ų443.5 Ų43.52%0.01822%0.224CC..Hα-helixtrans-62.7-41.8170.8171.4-102.4000112.4H627 L628 I629 R633 L634 F635 F649 M652 F653 T656 F657H627-F631 VanDerWaalsContact O-CB 3.32Å; H627-F631 WeakPolarHBondContact O-CB 3.32Å; H627-F631 PolarHBondContact O-N 2.75Å; L628-F631 HydrophobicContact CD1-CD1 4.23Å; L628-F631 CarbonylContact O-C 3.58Å; L628-F631 WeakPolarHBondContact O-CB 3.36Å; L628-F631 PolarHBondContact O-N 3.44Å; I629-F631 VanDerWaalsContact C-N 3.29Å; I629-F631 PolarHBondContact O-N 2.83Å; F631-R633 VanDerWaalsContact C-N 3.31Å; F631-R633 PolarHBondContact O-N 3.3Å; F631-L634 WeakPolarHBondContact O-CB 3.37Å; F631-L634 PolarHBondContact O-N 3.01Å; F631-L634 VanDerWaalsContact O-N 3.13Å; F631-F635 HydrophobicContact CZ-CD2 4.37Å; F631-F635 WeakPolarHBondContact O-CB 3.5Å; F631-F635 PolarHBondContact O-N 2.96Å; F631-F649 HydrophobicContact CD1-CE2 4.31Å; F631-F649 HydrophobicContact CE1-CD2 4.05Å; F631-F649 AromaticContact CE1-CE2 3.41Å; F631-F649 HydrophobicContact CE1-CE2 3.41Å; F631-F649 VanDerWaalsContact CE1-CE2 3.41Å; F631-F649 AromaticContact CE1-CZ 3.81Å; F631-F649 HydrophobicContact CE1-CZ 3.81Å; F631-F649 HydrophobicContact CZ-CD2 4.43Å; F631-F649 HydrophobicContact CZ-CE2 4.21Å; F631-M652 HydrophobicContact CE2-CB 4.35Å; F631-M652 HydrophobicContact CE2-CE 4.23Å; F631-M652 HydrophobicContact CE2-CG 3.92Å; F631-M652 HydrophobicContact CE2-SD 4.37Å; F631-M652 HydrophobicContact CZ-CB 4.34Å; F631-M652 HydrophobicContact CZ-CG 4.34Å; F631-F653 AromaticContact CD1-CD2 3.76Å; F631-F653 HydrophobicContact CD1-CD2 3.76Å; F631-F653 HydrophobicContact CD1-CE2 4.46Å; F631-F653 HydrophobicContact CE1-CB 3.94Å; F631-F653 AromaticContact CE1-CD2 3.64Å; F631-F653 HydrophobicContact CE1-CD2 3.64Å; F631-F653 HydrophobicContact CE1-CG 4.28Å; F631-F653 HydrophobicContact CE2-CB 4.21Å; F631-F653 HydrophobicContact CE2-CD2 4.45Å; F631-F653 HydrophobicContact CG-CD2 4.22Å; F631-F653 VanDerWaalsContact CZ-CA 3.47Å; F631-F653 HydrophobicContact CZ-CB 3.61Å; F631-F653 HydrophobicContact CZ-CD2 4.03Å; F631-F653 HydrophobicContact CZ-CG 4.34Å; F631-T656 HydrophobicContact CD2-CG2 4.08Å; F631-F657 HydrophobicContact CB-CE2 3.99Å; F631-F657 HydrophobicContact CB-CZ 4.13Å; F631-F657 HydrophobicContact CD2-CE2 4.2Å; F631-F657 HydrophobicContact CG-CE2 4.08Å
632F97.9Very high95Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-60.3-40.4175-69.8-14.3000112.3L446 F509 F527 F530 L531 L616 L628 I629 L634 F635 V636 F649L446-F632 HydrophobicContact CD2-CB 4.36Å; F509-F632 HydrophobicContact CZ-CB 4.45Å; F509-F632 HydrophobicContact CZ-CG 4.49Å; F527-F632 HydrophobicContact CD1-CE1 4.34Å; F527-F632 HydrophobicContact CD1-CZ 4.24Å; F527-F632 HydrophobicContact CE1-CD1 4.22Å; F527-F632 AromaticContact CE1-CE1 3.7Å; F527-F632 HydrophobicContact CE1-CE1 3.7Å; F527-F632 HydrophobicContact CE1-CZ 4.01Å; F530-F632 AromaticContact CD1-CE2 3.75Å; F530-F632 HydrophobicContact CD1-CE2 3.75Å; F530-F632 HydrophobicContact CD1-CZ 4.12Å; F530-F632 AromaticContact CE1-CE2 3.6Å; F530-F632 HydrophobicContact CE1-CE2 3.6Å; F530-F632 HydrophobicContact CE1-CZ 4.01Å; L531-F632 HydrophobicContact CD2-CD2 3.98Å; L531-F632 HydrophobicContact CD2-CE2 4.04Å; L531-F632 HydrophobicContact CG-CE2 4.5Å; L616-F632 HydrophobicContact CD1-CZ 4.47Å; L616-F632 HydrophobicContact CD2-CE1 4.38Å; L616-F632 HydrophobicContact CD2-CZ 4.13Å; L628-F632 HydrophobicContact CD1-CD1 4.4Å; L628-F632 HydrophobicContact CD1-CE1 3.77Å; L628-F632 HydrophobicContact CD1-CZ 4.1Å; L628-F632 HydrophobicContact CD2-CE1 4.43Å; L628-F632 HydrophobicContact CD2-CE2 4.43Å; L628-F632 HydrophobicContact CD2-CZ 3.92Å; L628-F632 HydrophobicContact CG-CD1 4.49Å; L628-F632 HydrophobicContact CG-CE1 3.91Å; L628-F632 HydrophobicContact CG-CE2 4.27Å; L628-F632 HydrophobicContact CG-CZ 3.8Å; L628-F632 WeakPolarHBondContact O-CG 3.28Å; L628-F632 PolarHBondContact O-N 3.26Å; I629-F632 HydrophobicContact CD1-CD2 3.83Å; I629-F632 HydrophobicContact CD1-CE2 4.17Å; I629-F632 WeakPolarHBondContact O-CB 3.41Å; I629-F632 PolarHBondContact O-N 2.77Å; I629-F632 VanDerWaalsContact O-N 3.17Å; F632-L634 VanDerWaalsContact C-N 3.31Å; F632-L634 PolarHBondContact O-N 2.81Å; F632-F635 PolarHBondContact O-N 3.46Å; F632-V636 WeakPolarHBondContact O-CB 3.45Å; F632-V636 VanDerWaalsContact O-CG2 3.27Å; F632-V636 WeakPolarHBondContact O-CG2 3.22Å; F632-V636 PolarHBondContact O-N 3.23Å; F632-F649 HydrophobicContact CD1-CE2 4.22Å; F632-F649 AromaticContact CE1-CE2 3.93Å; F632-F649 HydrophobicContact CE1-CE2 3.93Å; F632-F649 AromaticContact CE1-CZ 3.91Å; F632-F649 HydrophobicContact CE1-CZ 3.91Å
633R95.9Very high94.9Very high57 Ų5742.5 Ų42.522%0.21522%0.215CC..Hα-helixtrans-61.5-41.4174.4-66.6171.8-177.9152.3-8.9111.5A444 V445 I629 D630 F631 K637A444-R633 PolarHBondContact O-NH2 2.82Å; V445-R633 PolarHBondContact O-NE 2.86Å; V445-R633 PolarHBondContact O-NH2 2.8Å; I629-R633 PolarHBondContact O-N 3.47Å; D630-R633 PolarHBondContact O-N 3.11Å; D630-R633 IonicContact OD1-CZ 3.75Å; D630-R633 IonicContact OD1-NH1 2.83Å; D630-R633 PolarHBondContact OD1-NH1 3.13Å; F631-R633 VanDerWaalsContact C-N 3.31Å; F631-R633 PolarHBondContact O-N 3.3Å; R633-K637 WeakPolarHBondContact O-CB 2.97Å; R633-K637 PolarHBondContact O-N 2.8Å
634L94.9Very high94.7Very high82 Ų8241.7 Ų41.743%0.42921%0.21SC..Hα-helixtrans-65.4-42.4175.9-174.766.5000111.7D630 F631 F632 K637 K638 M652D630-L634 PolarHBondContact O-N 2.79Å; D630-L634 VanDerWaalsContact O-N 3.1Å; F631-L634 WeakPolarHBondContact O-CB 3.37Å; F631-L634 PolarHBondContact O-N 3.01Å; F631-L634 VanDerWaalsContact O-N 3.13Å; F632-L634 VanDerWaalsContact C-N 3.31Å; F632-L634 PolarHBondContact O-N 2.81Å; L634-K637 PolarHBondContact O-N 3.07Å; L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 2.91Å; L634-M652 HydrophobicContact CB-CE 4.22Å; L634-M652 HydrophobicContact CD2-CE 3.65Å; L634-M652 HydrophobicContact CG-CE 3.5Å; L634-M652 VanDerWaalsContact CG-CE 3.5Å
635F95.9Very high94.7Very high1 Ų141.5 Ų41.50%0.00420%0.201CC..Hα-helixtrans-62.5-46.3176.7-172-98.6000111.1F509 I513 F631 F632 K637 K638 Y639 V644 F649 M652F509-F635 AromaticContact CE1-CD1 3.94Å; F509-F635 HydrophobicContact CE1-CD1 3.94Å; F509-F635 HydrophobicContact CE1-CE1 4.19Å; I513-F635 HydrophobicContact CD1-CD1 4.14Å; I513-F635 HydrophobicContact CD1-CE1 4.22Å; I513-F635 HydrophobicContact CG2-CE1 4.05Å; F631-F635 HydrophobicContact CZ-CD2 4.37Å; F631-F635 WeakPolarHBondContact O-CB 3.5Å; F631-F635 PolarHBondContact O-N 2.96Å; F632-F635 PolarHBondContact O-N 3.46Å; F635-K637 PolarHBondContact O-N 3.22Å; F635-K638 PolarHBondContact O-N 3.35Å; F635-K638 VanDerWaalsContact O-N 3.13Å; F635-Y639 HydrophobicContact CD1-CD2 4.41Å; F635-Y639 AromaticContact CD2-CD2 3.47Å; F635-Y639 HydrophobicContact CD2-CD2 3.47Å; F635-Y639 VanDerWaalsContact CD2-CD2 3.47Å; F635-Y639 AromaticContact CD2-CE2 3.7Å; F635-Y639 HydrophobicContact CD2-CE2 3.7Å; F635-Y639 HydrophobicContact CE1-CD2 4.26Å; F635-Y639 AromaticContact CE2-CD2 3.22Å; F635-Y639 HydrophobicContact CE2-CD2 3.22Å; F635-Y639 AromaticContact CE2-CE2 3.35Å; F635-Y639 HydrophobicContact CE2-CE2 3.35Å; F635-Y639 HydrophobicContact CE2-CG 4.08Å; F635-Y639 HydrophobicContact CG-CD2 4.05Å; F635-Y639 AromaticContact CZ-CD2 3.67Å; F635-Y639 HydrophobicContact CZ-CD2 3.67Å; F635-Y639 HydrophobicContact CZ-CE2 4.15Å; F635-Y639 HydrophobicContact CZ-CG 4.1Å; F635-Y639 PolarHBondContact O-N 3.34Å; F635-V644 HydrophobicContact CZ-CB 4.49Å; F635-V644 HydrophobicContact CZ-CG1 4.17Å; F635-V644 HydrophobicContact CZ-CG2 4.31Å; F635-F649 HydrophobicContact CD1-CD2 4.24Å; F635-F649 AromaticContact CD2-CD2 3.94Å; F635-F649 HydrophobicContact CD2-CD2 3.94Å; F635-F649 HydrophobicContact CE1-CD2 4.08Å; F635-F649 HydrophobicContact CE2-CB 3.91Å; F635-F649 AromaticContact CE2-CD2 3.84Å; F635-F649 HydrophobicContact CE2-CD2 3.84Å; F635-F649 HydrophobicContact CE2-CG 4.37Å; F635-F649 HydrophobicContact CG-CD2 4.16Å; F635-F649 HydrophobicContact CZ-CB 3.9Å; F635-F649 AromaticContact CZ-CD2 3.9Å; F635-F649 HydrophobicContact CZ-CD2 3.9Å; F635-F649 HydrophobicContact CZ-CG 4.41Å; F635-M652 HydrophobicContact CD2-SD 3.66Å; F635-M652 HydrophobicContact CE2-SD 4.38Å
636V95.1Very high94.7Very high4 Ų436.7 Ų36.72%0.02418%0.176CC..Hα-helixtrans-58-48.8173.5167.30000111.1F402 W508 F509 I513 F632 K638 Y639 H640F402-V636 HydrophobicContact CE1-CG1 3.73Å; F402-V636 HydrophobicContact CZ-CG1 3.97Å; W508-V636 HydrophobicContact CB-CG2 4.47Å; W508-V636 HydrophobicContact CG-CG2 4.5Å; F509-V636 HydrophobicContact CE2-CG2 4.26Å; F509-V636 HydrophobicContact CZ-CG2 3.97Å; I513-V636 HydrophobicContact CD1-CB 4.36Å; I513-V636 HydrophobicContact CD1-CG2 3.88Å; F632-V636 WeakPolarHBondContact O-CB 3.45Å; F632-V636 VanDerWaalsContact O-CG2 3.27Å; F632-V636 WeakPolarHBondContact O-CG2 3.22Å; F632-V636 PolarHBondContact O-N 3.23Å; V636-K638 PolarHBondContact O-N 2.97Å; V636-Y639 PolarHBondContact O-N 2.67Å; V636-H640 VanDerWaalsContact O-CB 3.25Å; V636-H640 WeakPolarHBondContact O-CB 3.44Å; V636-H640 PolarHBondContact O-N 2.78Å; V636-H640 PolarHBondContact O-ND1 3.29Å
637K91Very high94.7Very high77 Ų7734.8 Ų34.834%0.33517%0.167SC..Hα-helixtrans-56.1-37.1177.2-173.8176.9179.7178.10111.7D389 R633 L634 F635 H640D389-K637 IonicContact OD2-NZ 3.92Å; R633-K637 WeakPolarHBondContact O-CB 2.97Å; R633-K637 PolarHBondContact O-N 2.8Å; L634-K637 PolarHBondContact O-N 3.07Å; F635-K637 PolarHBondContact O-N 3.22Å; K637-H640 PolarHBondContact O-CE1 3.44Å; K637-H640 VanDerWaalsContact O-CE1 3.26Å; K637-H640 PolarHBondContact O-ND1 2.91Å
638K92.3Very high94.6Very high96 Ų9631.9 Ų31.942%0.41716%0.155SC..Hα-helixtrans-83.4-33.9-178.1-173.5179175.1-159.90114.8S394 L634 F635 V636 Q642 M652S394-K638 PolarHBondContact OG-O 2.91Å; L634-K638 WeakPolarHBondContact O-CB 3.4Å; L634-K638 PolarHBondContact O-N 2.91Å; F635-K638 PolarHBondContact O-N 3.35Å; F635-K638 VanDerWaalsContact O-N 3.13Å; V636-K638 PolarHBondContact O-N 2.97Å; K638-Q642 PolarHBondContact O-NE2 3.45Å; K638-M652 HydrophobicContact CB-CE 4.4Å; K638-M652 HydrophobicContact CD-CE 4.02Å; K638-M652 HydrophobicContact CD-SD 3.64Å
639Y93.4Very high94.6Very high22 Ų2231.9 Ų31.99%0.08616%0.155CC..Hα-helixtrans-118.8-0-168.6-70-79.1000114.8F635 V636 G641 Q642 V644 D648 M652F635-Y639 HydrophobicContact CD1-CD2 4.41Å; F635-Y639 AromaticContact CD2-CD2 3.47Å; F635-Y639 HydrophobicContact CD2-CD2 3.47Å; F635-Y639 VanDerWaalsContact CD2-CD2 3.47Å; F635-Y639 AromaticContact CD2-CE2 3.7Å; F635-Y639 HydrophobicContact CD2-CE2 3.7Å; F635-Y639 HydrophobicContact CE1-CD2 4.26Å; F635-Y639 AromaticContact CE2-CD2 3.22Å; F635-Y639 HydrophobicContact CE2-CD2 3.22Å; F635-Y639 AromaticContact CE2-CE2 3.35Å; F635-Y639 HydrophobicContact CE2-CE2 3.35Å; F635-Y639 HydrophobicContact CE2-CG 4.08Å; F635-Y639 HydrophobicContact CG-CD2 4.05Å; F635-Y639 AromaticContact CZ-CD2 3.67Å; F635-Y639 HydrophobicContact CZ-CD2 3.67Å; F635-Y639 HydrophobicContact CZ-CE2 4.15Å; F635-Y639 HydrophobicContact CZ-CG 4.1Å; F635-Y639 PolarHBondContact O-N 3.34Å; V636-Y639 PolarHBondContact O-N 2.67Å; Y639-G641 PolarHBondContact O-N 3.01Å; Y639-Q642 VanDerWaalsContact O-CB 3.28Å; Y639-Q642 WeakPolarHBondContact O-CB 3.42Å; Y639-Q642 PolarHBondContact O-N 3.05Å; Y639-V644 HydrophobicContact CD1-CG1 3.46Å; Y639-V644 VanDerWaalsContact CD1-CG1 3.46Å; Y639-V644 HydrophobicContact CE1-CG1 4.1Å; Y639-V644 HydrophobicContact CG-CG1 3.79Å; Y639-D648 HydrophobicContact CE1-CB 4.27Å; Y639-M652 HydrophobicContact CD2-SD 4.23Å; Y639-M652 HydrophobicContact CE2-SD 3.58Å; Y639-M652 VanDerWaalsContact CE2-SD 3.58Å
640H92.5Very high94.5Very high3 Ų331.2 Ų31.21%0.01415%0.152CC..THydrogen-bonded Turntrans-56.4132.617569.5-76.9000111.6C393 H395 C400 F402 V512 V636 K637C393-H640 PolarHBondContact SG-NE2 3.33Å; C393-H640 VanDerWaalsContact SG-NE2 3.41Å; H395-H640 WeakPolarHBondContact CB-O 3.22Å; H395-H640 AromaticContact CD2-CD2 3.35Å; H395-H640 PolarHBondContact CD2-CD2 3.41Å; H395-H640 AromaticContact CD2-CE1 3.84Å; H395-H640 AromaticContact CD2-NE2 3.13Å; H395-H640 PolarHBondContact CD2-NE2 3.2Å; H395-H640 PolarHBondContact CD2-O 3.27Å; H395-H640 AromaticContact NE2-CD2 3.68Å; H395-H640 AromaticContact NE2-NE2 3.22Å; H395-H640 PolarHBondContact NE2-NE2 3.46Å; C400-H640 PolarHBondContact SG-NE2 2.86Å; C400-H640 VanDerWaalsContact SG-NE2 3.41Å; F402-H640 HydrophobicContact CD2-CB 4.37Å; F402-H640 AromaticContact CD2-CD2 3.29Å; F402-H640 WeakPolarHBondContact CD2-CD2 3.45Å; F402-H640 AromaticContact CD2-CG 3.89Å; F402-H640 AromaticContact CD2-NE2 3.77Å; F402-H640 HydrophobicContact CE2-CB 3.9Å; F402-H640 AromaticContact CE2-CD2 3.68Å; F402-H640 AromaticContact CE2-CG 3.92Å; F402-H640 AromaticContact CG-CD2 3.88Å; F402-H640 AromaticContact CG-NE2 3.94Å; F402-H640 HydrophobicContact CZ-CB 4.15Å; V512-H640 HydrophobicContact CG1-CB 3.63Å; V636-H640 VanDerWaalsContact O-CB 3.25Å; V636-H640 WeakPolarHBondContact O-CB 3.44Å; V636-H640 PolarHBondContact O-N 2.78Å; V636-H640 PolarHBondContact O-ND1 3.29Å; K637-H640 PolarHBondContact O-CE1 3.44Å; K637-H640 VanDerWaalsContact O-CE1 3.26Å; K637-H640 PolarHBondContact O-ND1 2.91Å
641G90.6Very high94.5Very high15 Ų1532.1 Ų32.116%0.15515%0.154CC..THydrogen-bonded Turntrans77.817.9-174.800000114V512 Y639V512-G641 VanDerWaalsContact CG1-N 3.32Å; V512-G641 WeakPolarHBondContact O-CA 3.49Å; V512-G641 PolarHBondContact O-N 3.35Å; Y639-G641 PolarHBondContact O-N 3.01Å
642Q91.8Very high94.4Very high50 Ų5032.7 Ų32.723%0.23416%0.157CC..EExtended strand (participates in β ladder)trans-126.1163178.2-53.5-173.324.300111.8S394 H395 G514 K638 Y639S394-Q642 VanDerWaalsContact CB-NE2 3.28Å; S394-Q642 PolarHBondContact O-NE2 3.38Å; S394-Q642 PolarHBondContact OG-NE2 3.38Å; H395-Q642 HydrophobicContact CB-CG 4.4Å; G514-Q642 PolarHBondContact N-O 2.75Å; G514-Q642 VanDerWaalsContact N-O 3.16Å; K638-Q642 PolarHBondContact O-NE2 3.45Å; Y639-Q642 VanDerWaalsContact O-CB 3.28Å; Y639-Q642 WeakPolarHBondContact O-CB 3.42Å; Y639-Q642 PolarHBondContact O-N 3.05Å
643L92.6Very high94.4Very high30 Ų3032.7 Ų32.716%0.15716%0.157CC..EExtended strand (participates in β ladder)trans-101.4133169.1-55.7172.9000108.9P249 V250 M252 P297 G514 R516P249-L643 HydrophobicContact CB-CD1 4.06Å; P249-L643 HydrophobicContact CB-CD2 4.42Å; P249-L643 VanDerWaalsContact O-CD1 3.22Å; P249-L643 WeakPolarHBondContact O-CD1 3.47Å; V250-L643 HydrophobicContact CB-CD1 4.49Å; V250-L643 HydrophobicContact CG1-CD1 4.25Å; M252-L643 HydrophobicContact CG-CD1 4.29Å; M252-L643 HydrophobicContact SD-CD1 4.21Å; M252-L643 HydrophobicContact SD-CD2 4.21Å; M252-L643 HydrophobicContact SD-CG 3.98Å; P297-L643 HydrophobicContact CG-CD2 4.46Å; G514-L643 CarbonylContact O-C 3.47Å; G514-L643 VanDerWaalsContact O-CA 3.25Å; G514-L643 WeakPolarHBondContact O-CA 3.38Å; R516-L643 HydrophobicContact CB-CB 3.93Å; R516-L643 HydrophobicContact CG-CB 4.47Å
644V94.4Very high94.5Very high0 Ų030.5 Ų30.50%015%0.149CC..EExtended strand (participates in β ladder)trans-121.1157.4-175.5-60.40000111.2I513 G514 R516 I523 F635 Y639 D648I513-V644 HydrophobicContact CG2-CG1 4.01Å; I513-V644 HydrophobicContact CG2-CG2 3.7Å; G514-V644 PolarHBondContact O-N 3.45Å; R516-V644 PolarHBondContact N-O 3.05Å; I523-V644 HydrophobicContact CD1-CG2 4.38Å; I523-V644 HydrophobicContact CG2-CG2 4.08Å; F635-V644 HydrophobicContact CZ-CB 4.49Å; F635-V644 HydrophobicContact CZ-CG1 4.17Å; F635-V644 HydrophobicContact CZ-CG2 4.31Å; Y639-V644 HydrophobicContact CD1-CG1 3.46Å; Y639-V644 VanDerWaalsContact CD1-CG1 3.46Å; Y639-V644 HydrophobicContact CE1-CG1 4.1Å; Y639-V644 HydrophobicContact CG-CG1 3.79Å; V644-D648 HydrophobicContact CB-CB 4.23Å
645L94.3Very high94.5Very high25 Ų2532.3 Ų32.313%0.13116%0.158CC..  trans-102.8163.8164.4-66172.4000111R516 D517 E520 T583 Q647 D648 F649R516-L645 HydrophobicContact CB-CD2 3.86Å; R516-L645 HydrophobicContact CB-CG 4.13Å; R516-L645 HydrophobicContact CG-CD2 4.45Å; D517-L645 HydrophobicContact CB-CD2 4.46Å; E520-L645 VanDerWaalsContact OE2-C 3.29Å; E520-L645 WeakPolarHBondContact OE2-CA 3.01Å; E520-L645 WeakPolarHBondContact OE2-CD2 3.31Å; T583-L645 HydrophobicContact CG2-CD2 4.12Å; L645-Q647 HydrophobicContact CB-CB 4.42Å; L645-Q647 PolarHBondContact O-N 2.84Å; L645-Q647 VanDerWaalsContact O-N 3.1Å; L645-D648 PolarHBondContact N-OD2 3.24Å; L645-D648 WeakPolarHBondContact O-CB 3.17Å; L645-D648 PolarHBondContact O-N 3.15Å; L645-F649 PolarHBondContact O-N 2.79Å
646S94.6Very high94.6Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-52.3-35.2171.7-60.60000111.2E520 W522 L650E520-S646 WeakPolarHBondContact OE1-CB 3.47Å; E520-S646 PolarHBondContact OE1-N 3.34Å; E520-S646 PolarHBondContact OE1-OG 2.92Å; E520-S646 PolarHBondContact OE2-N 2.87Å; E520-S646 PolarHBondContact OE2-OG 3.44Å; W522-S646 WeakPolarHBondContact CZ2-OG 3.47Å; W522-S646 PolarHBondContact NE1-OG 3.04Å; S646-L650 WeakPolarHBondContact O-CB 3.44Å; S646-L650 VanDerWaalsContact O-CG 3.3Å; S646-L650 WeakPolarHBondContact O-CG 3.35Å; S646-L650 PolarHBondContact O-N 3.33Å
647Q93.9Very high94.6Very high72 Ų7235.8 Ų35.834%0.33618%0.177SC..Hα-helixtrans-58.8-46.8176.2-173.6166.51.800112.5L645 F649 L650 Q651 L667 Y671L645-Q647 HydrophobicContact CB-CB 4.42Å; L645-Q647 PolarHBondContact O-N 2.84Å; L645-Q647 VanDerWaalsContact O-N 3.1Å; Q647-F649 VanDerWaalsContact C-N 3.31Å; Q647-F649 PolarHBondContact O-N 3.1Å; Q647-L650 PolarHBondContact O-N 3.27Å; Q647-Q651 WeakPolarHBondContact O-CB 3.03Å; Q647-Q651 PolarHBondContact O-N 3.26Å; Q647-L667 HydrophobicContact CG-CD2 3.99Å; Q647-Y671 WeakPolarHBondContact CA-OH 3.33Å; Q647-Y671 WeakPolarHBondContact CB-OH 3.2Å; Q647-Y671 PolarHBondContact N-OH 2.78Å
648D95.3Very high94.8Very high50 Ų5035.6 Ų35.627%0.26718%0.184SC..Hα-helixtrans-61.6-44.1-176.2-64.9-54.8000110.8Y639 V644 L645 M652Y639-D648 HydrophobicContact CE1-CB 4.27Å; V644-D648 HydrophobicContact CB-CB 4.23Å; L645-D648 PolarHBondContact N-OD2 3.24Å; L645-D648 WeakPolarHBondContact O-CB 3.17Å; L645-D648 PolarHBondContact O-N 3.15Å; D648-M652 VanDerWaalsContact O-CB 3.29Å; D648-M652 WeakPolarHBondContact O-CB 3.25Å; D648-M652 PolarHBondContact O-N 3.26Å; D648-M652 VanDerWaalsContact O-N 3.13Å
649F96.8Very high94.8Very high1 Ų133.9 Ų33.90%0.00418%0.177CC..Hα-helixtrans-64.5-54.4176.7175.4-98.5000112W522 F527 L616 L619 F631 F632 F635 L645 Q647 Q651 M652 F653W522-F649 HydrophobicContact CH2-CD1 4.27Å; F527-F649 HydrophobicContact CE1-CD2 4.17Å; F527-F649 AromaticContact CE1-CE2 3.57Å; F527-F649 HydrophobicContact CE1-CE2 3.57Å; F527-F649 AromaticContact CE1-CZ 3.93Å; F527-F649 HydrophobicContact CE1-CZ 3.93Å; F527-F649 HydrophobicContact CZ-CD1 4.16Å; F527-F649 AromaticContact CZ-CD2 3.63Å; F527-F649 HydrophobicContact CZ-CD2 3.63Å; F527-F649 AromaticContact CZ-CE1 3.92Å; F527-F649 HydrophobicContact CZ-CE1 3.92Å; F527-F649 AromaticContact CZ-CE2 3.32Å; F527-F649 HydrophobicContact CZ-CE2 3.32Å; F527-F649 HydrophobicContact CZ-CG 4.04Å; F527-F649 AromaticContact CZ-CZ 3.5Å; F527-F649 HydrophobicContact CZ-CZ 3.5Å; F527-F649 VanDerWaalsContact CZ-CZ 3.5Å; L616-F649 HydrophobicContact CD2-CE1 4.1Å; L616-F649 HydrophobicContact CD2-CZ 3.91Å; L619-F649 HydrophobicContact CD1-CE1 3.91Å; L619-F649 HydrophobicContact CD1-CZ 4.45Å; F631-F649 HydrophobicContact CD1-CE2 4.31Å; F631-F649 HydrophobicContact CE1-CD2 4.05Å; F631-F649 AromaticContact CE1-CE2 3.41Å; F631-F649 HydrophobicContact CE1-CE2 3.41Å; F631-F649 VanDerWaalsContact CE1-CE2 3.41Å; F631-F649 AromaticContact CE1-CZ 3.81Å; F631-F649 HydrophobicContact CE1-CZ 3.81Å; F631-F649 HydrophobicContact CZ-CD2 4.43Å; F631-F649 HydrophobicContact CZ-CE2 4.21Å; F632-F649 HydrophobicContact CD1-CE2 4.22Å; F632-F649 AromaticContact CE1-CE2 3.93Å; F632-F649 HydrophobicContact CE1-CE2 3.93Å; F632-F649 AromaticContact CE1-CZ 3.91Å; F632-F649 HydrophobicContact CE1-CZ 3.91Å; F635-F649 HydrophobicContact CD1-CD2 4.24Å; F635-F649 AromaticContact CD2-CD2 3.94Å; F635-F649 HydrophobicContact CD2-CD2 3.94Å; F635-F649 HydrophobicContact CE1-CD2 4.08Å; F635-F649 HydrophobicContact CE2-CB 3.91Å; F635-F649 AromaticContact CE2-CD2 3.84Å; F635-F649 HydrophobicContact CE2-CD2 3.84Å; F635-F649 HydrophobicContact CE2-CG 4.37Å; F635-F649 HydrophobicContact CG-CD2 4.16Å; F635-F649 HydrophobicContact CZ-CB 3.9Å; F635-F649 AromaticContact CZ-CD2 3.9Å; F635-F649 HydrophobicContact CZ-CD2 3.9Å; F635-F649 HydrophobicContact CZ-CG 4.41Å; L645-F649 PolarHBondContact O-N 2.79Å; Q647-F649 VanDerWaalsContact C-N 3.31Å; Q647-F649 PolarHBondContact O-N 3.1Å; F649-Q651 PolarHBondContact O-N 3.04Å; F649-M652 PolarHBondContact O-N 3.45Å; F649-F653 WeakPolarHBondContact O-CB 3.49Å; F649-F653 PolarHBondContact O-N 3Å
650L96.9Very high94.8Very high0 Ų032.9 Ų32.90%017%0.173CC..Hα-helixtrans-68.3-37.1-174.9-68.1173.4000112.4L619 S646 Q647 F653 L654 L667 I670 Y671 L675L619-L650 HydrophobicContact CD1-CD2 4.14Å; S646-L650 WeakPolarHBondContact O-CB 3.44Å; S646-L650 VanDerWaalsContact O-CG 3.3Å; S646-L650 WeakPolarHBondContact O-CG 3.35Å; S646-L650 PolarHBondContact O-N 3.33Å; Q647-L650 PolarHBondContact O-N 3.27Å; L650-F653 WeakPolarHBondContact O-CB 3.36Å; L650-F653 PolarHBondContact O-N 3.48Å; L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.39Å; L650-L667 HydrophobicContact CB-CD1 3.52Å; L650-L667 HydrophobicContact CD1-CD1 3.94Å; L650-L667 HydrophobicContact CG-CD1 4.4Å; L650-I670 HydrophobicContact CD1-CB 4.4Å; L650-I670 HydrophobicContact CD1-CG2 3.71Å; L650-I670 HydrophobicContact CD2-CD1 4.08Å; L650-I670 HydrophobicContact CD2-CG2 4.12Å; L650-Y671 HydrophobicContact CD1-CD1 4.14Å; L650-Y671 HydrophobicContact CD1-CE1 3.71Å; L650-L675 HydrophobicContact CD1-CD1 4.11Å
651Q96.2Very high94.7Very high85 Ų8538.4 Ų38.440%0.39720%0.199SC..Hα-helixtrans-66.7-44.5175.9-174173.2-200111Q647 F649 F653 L654 I655Q647-Q651 WeakPolarHBondContact O-CB 3.03Å; Q647-Q651 PolarHBondContact O-N 3.26Å; F649-Q651 PolarHBondContact O-N 3.04Å; Q651-F653 VanDerWaalsContact C-N 3.27Å; Q651-F653 PolarHBondContact O-N 3.47Å; Q651-L654 PolarHBondContact O-N 3.41Å; Q651-I655 HydrophobicContact CG-CD1 3.89Å; Q651-I655 WeakPolarHBondContact O-CB 3.38Å; Q651-I655 VanDerWaalsContact O-CG1 3.24Å; Q651-I655 WeakPolarHBondContact O-CG1 3.34Å; Q651-I655 PolarHBondContact O-N 3.06Å
652M96.9Very high94.6Very high17 Ų1747.3 Ų47.38%0.08423%0.228CC..Hα-helixtrans-62.5-37.7174.9-170.4-178.4162.300111.6F631 L634 F635 K638 Y639 D648 F649 T656F631-M652 HydrophobicContact CE2-CB 4.35Å; F631-M652 HydrophobicContact CE2-CE 4.23Å; F631-M652 HydrophobicContact CE2-CG 3.92Å; F631-M652 HydrophobicContact CE2-SD 4.37Å; F631-M652 HydrophobicContact CZ-CB 4.34Å; F631-M652 HydrophobicContact CZ-CG 4.34Å; L634-M652 HydrophobicContact CB-CE 4.22Å; L634-M652 HydrophobicContact CD2-CE 3.65Å; L634-M652 HydrophobicContact CG-CE 3.5Å; L634-M652 VanDerWaalsContact CG-CE 3.5Å; F635-M652 HydrophobicContact CD2-SD 3.66Å; F635-M652 HydrophobicContact CE2-SD 4.38Å; K638-M652 HydrophobicContact CB-CE 4.4Å; K638-M652 HydrophobicContact CD-CE 4.02Å; K638-M652 HydrophobicContact CD-SD 3.64Å; Y639-M652 HydrophobicContact CD2-SD 4.23Å; Y639-M652 HydrophobicContact CE2-SD 3.58Å; Y639-M652 VanDerWaalsContact CE2-SD 3.58Å; D648-M652 VanDerWaalsContact O-CB 3.29Å; D648-M652 WeakPolarHBondContact O-CB 3.25Å; D648-M652 PolarHBondContact O-N 3.26Å; D648-M652 VanDerWaalsContact O-N 3.13Å; F649-M652 PolarHBondContact O-N 3.45Å; M652-T656 WeakPolarHBondContact O-CB 3.28Å; M652-T656 PolarHBondContact O-N 2.7Å; M652-T656 PolarHBondContact O-OG1 3.15Å
653F97.6Very high94.5Very high0 Ų050.9 Ų50.90%024%0.243CC..Hα-helixtrans-61.8-50175.5-177.9-98.5000111.8L619 V623 L628 F631 F649 L650 Q651 I655 T656 F657 L660L619-F653 HydrophobicContact CB-CE1 4.23Å; L619-F653 HydrophobicContact CB-CE2 4.31Å; L619-F653 HydrophobicContact CB-CZ 3.8Å; L619-F653 HydrophobicContact CD1-CD1 4.5Å; L619-F653 HydrophobicContact CD1-CE1 4.39Å; L619-F653 HydrophobicContact CD1-CZ 4.49Å; L619-F653 HydrophobicContact CD2-CD1 4.23Å; L619-F653 HydrophobicContact CD2-CE1 3.67Å; L619-F653 HydrophobicContact CD2-CZ 4.15Å; L619-F653 HydrophobicContact CG-CE1 4.29Å; L619-F653 HydrophobicContact CG-CZ 4.35Å; V623-F653 HydrophobicContact CG1-CE1 4.41Å; V623-F653 HydrophobicContact CG1-CE2 4.25Å; V623-F653 HydrophobicContact CG1-CZ 3.62Å; V623-F653 HydrophobicContact CG2-CE2 4.11Å; V623-F653 HydrophobicContact CG2-CZ 4.07Å; L628-F653 HydrophobicContact CD1-CD2 4.29Å; L628-F653 HydrophobicContact CD1-CE2 3.68Å; F631-F653 AromaticContact CD1-CD2 3.76Å; F631-F653 HydrophobicContact CD1-CD2 3.76Å; F631-F653 HydrophobicContact CD1-CE2 4.46Å; F631-F653 HydrophobicContact CE1-CB 3.94Å; F631-F653 AromaticContact CE1-CD2 3.64Å; F631-F653 HydrophobicContact CE1-CD2 3.64Å; F631-F653 HydrophobicContact CE1-CG 4.28Å; F631-F653 HydrophobicContact CE2-CB 4.21Å; F631-F653 HydrophobicContact CE2-CD2 4.45Å; F631-F653 HydrophobicContact CG-CD2 4.22Å; F631-F653 VanDerWaalsContact CZ-CA 3.47Å; F631-F653 HydrophobicContact CZ-CB 3.61Å; F631-F653 HydrophobicContact CZ-CD2 4.03Å; F631-F653 HydrophobicContact CZ-CG 4.34Å; F649-F653 WeakPolarHBondContact O-CB 3.49Å; F649-F653 PolarHBondContact O-N 3Å; L650-F653 WeakPolarHBondContact O-CB 3.36Å; L650-F653 PolarHBondContact O-N 3.48Å; Q651-F653 VanDerWaalsContact C-N 3.27Å; Q651-F653 PolarHBondContact O-N 3.47Å; F653-I655 PolarHBondContact O-N 2.83Å; F653-T656 PolarHBondContact O-N 3.14Å; F653-T656 VanDerWaalsContact O-N 3.17Å; F653-F657 HydrophobicContact CD1-CD2 4.45Å; F653-F657 AromaticContact CD2-CD2 3.67Å; F653-F657 HydrophobicContact CD2-CD2 3.67Å; F653-F657 AromaticContact CD2-CE2 3.71Å; F653-F657 HydrophobicContact CD2-CE2 3.71Å; F653-F657 HydrophobicContact CE1-CD2 4.31Å; F653-F657 AromaticContact CE2-CD2 3.51Å; F653-F657 HydrophobicContact CE2-CD2 3.51Å; F653-F657 AromaticContact CE2-CE2 3.49Å; F653-F657 HydrophobicContact CE2-CE2 3.49Å; F653-F657 VanDerWaalsContact CE2-CE2 3.49Å; F653-F657 HydrophobicContact CG-CD2 4.16Å; F653-F657 AromaticContact CZ-CD2 3.86Å; F653-F657 HydrophobicContact CZ-CD2 3.86Å; F653-F657 HydrophobicContact CZ-CE2 4.23Å; F653-F657 VanDerWaalsContact O-CD2 3.3Å; F653-F657 WeakPolarHBondContact O-CD2 3.43Å; F653-F657 PolarHBondContact O-N 3.1Å; F653-L660 HydrophobicContact CD1-CD1 4.06Å; F653-L660 HydrophobicContact CE1-CD1 3.29Å; F653-L660 HydrophobicContact CZ-CD1 3.92Å
654L96.6Very high94.3Very high10 Ų1051.8 Ų51.85%0.05226%0.259CS..Hα-helixtrans-64.9-37.7179.2-68.6171.5000112.5L650 Q651 T656 F657 P658 L660 L667L650-L654 VanDerWaalsContact O-CG 3.31Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.39Å; Q651-L654 PolarHBondContact O-N 3.41Å; L654-T656 VanDerWaalsContact C-N 3.33Å; L654-T656 PolarHBondContact O-N 3.08Å; L654-F657 CarbonylContact O-C 3.52Å; L654-F657 PolarHBondContact O-N 2.92Å; L654-P658 WeakPolarHBondContact O-CA 3.5Å; L654-L660 HydrophobicContact CD2-CB 4.21Å; L654-L660 HydrophobicContact CD2-CD1 4.44Å; L654-L667 HydrophobicContact CD1-CB 4.29Å
655I96.3Very high94.3Very high120 Ų12052.8 Ų52.862%0.61527%0.265SS*.Hα-helixtrans-63.7-39.8173.5-70.5167.4000111.2Q651 F653 F657Q651-I655 HydrophobicContact CG-CD1 3.89Å; Q651-I655 WeakPolarHBondContact O-CB 3.38Å; Q651-I655 VanDerWaalsContact O-CG1 3.24Å; Q651-I655 WeakPolarHBondContact O-CG1 3.34Å; Q651-I655 PolarHBondContact O-N 3.06Å; F653-I655 PolarHBondContact O-N 2.83Å; I655-F657 VanDerWaalsContact C-N 3.32Å
656T96.7Very high94.3Very high54 Ų5454.4 Ų54.433%0.33128%0.276SS..Hα-helixtrans-69.8-33.2178.5-54.90000111.3F631 M652 F653 L654 P658F631-T656 HydrophobicContact CD2-CG2 4.08Å; M652-T656 WeakPolarHBondContact O-CB 3.28Å; M652-T656 PolarHBondContact O-N 2.7Å; M652-T656 PolarHBondContact O-OG1 3.15Å; F653-T656 PolarHBondContact O-N 3.14Å; F653-T656 VanDerWaalsContact O-N 3.17Å; L654-T656 VanDerWaalsContact C-N 3.33Å; L654-T656 PolarHBondContact O-N 3.08Å; T656-P658 VanDerWaalsContact C-CD 3.42Å; T656-P658 VanDerWaalsContact O-CD 3.29Å; T656-P658 WeakPolarHBondContact O-CD 3.41Å
657F96.6Very high94.3Very high25 Ų2556.1 Ų56.111%0.1129%0.285CS..  trans-121.466.5-177.4-57-67.5000112.1V623 H627 F631 F653 L654 I655 H659 L660V623-F657 HydrophobicContact CB-CD1 4.3Å; V623-F657 HydrophobicContact CB-CE1 4.22Å; V623-F657 HydrophobicContact CB-CE2 4.48Å; V623-F657 HydrophobicContact CB-CG 4.46Å; V623-F657 HydrophobicContact CB-CZ 4.31Å; V623-F657 HydrophobicContact CG1-CB 4.1Å; V623-F657 HydrophobicContact CG1-CD1 3.95Å; V623-F657 HydrophobicContact CG1-CD2 3.84Å; V623-F657 HydrophobicContact CG1-CE1 4.31Å; V623-F657 HydrophobicContact CG1-CE2 4.24Å; V623-F657 HydrophobicContact CG1-CG 3.68Å; V623-F657 HydrophobicContact CG1-CZ 4.45Å; V623-F657 HydrophobicContact CG2-CE2 4.34Å; V623-F657 HydrophobicContact CG2-CZ 4.31Å; H627-F657 HydrophobicContact CB-CE1 4.17Å; H627-F657 HydrophobicContact CB-CZ 4.17Å; F631-F657 HydrophobicContact CB-CE2 3.99Å; F631-F657 HydrophobicContact CB-CZ 4.13Å; F631-F657 HydrophobicContact CD2-CE2 4.2Å; F631-F657 HydrophobicContact CG-CE2 4.08Å; F653-F657 HydrophobicContact CD1-CD2 4.45Å; F653-F657 AromaticContact CD2-CD2 3.67Å; F653-F657 HydrophobicContact CD2-CD2 3.67Å; F653-F657 AromaticContact CD2-CE2 3.71Å; F653-F657 HydrophobicContact CD2-CE2 3.71Å; F653-F657 HydrophobicContact CE1-CD2 4.31Å; F653-F657 AromaticContact CE2-CD2 3.51Å; F653-F657 HydrophobicContact CE2-CD2 3.51Å; F653-F657 AromaticContact CE2-CE2 3.49Å; F653-F657 HydrophobicContact CE2-CE2 3.49Å; F653-F657 VanDerWaalsContact CE2-CE2 3.49Å; F653-F657 HydrophobicContact CG-CD2 4.16Å; F653-F657 AromaticContact CZ-CD2 3.86Å; F653-F657 HydrophobicContact CZ-CD2 3.86Å; F653-F657 HydrophobicContact CZ-CE2 4.23Å; F653-F657 VanDerWaalsContact O-CD2 3.3Å; F653-F657 WeakPolarHBondContact O-CD2 3.43Å; F653-F657 PolarHBondContact O-N 3.1Å; L654-F657 CarbonylContact O-C 3.52Å; L654-F657 PolarHBondContact O-N 2.92Å; I655-F657 VanDerWaalsContact C-N 3.32Å; F657-H659 AromaticContact CD1-CE1 3.91Å; F657-H659 PolarHBondContact O-N 3.16Å; F657-L660 HydrophobicContact CB-CD1 3.68Å; F657-L660 HydrophobicContact CB-CG 3.95Å; F657-L660 WeakPolarHBondContact O-CB 3.23Å; F657-L660 WeakPolarHBondContact O-CG 3.3Å; F657-L660 PolarHBondContact O-N 3.09Å
658P94.3Very high94.2Very high72 Ų7256.9 Ų56.947%0.46830%0.298SS..THydrogen-bonded Turntrans-67.5-7.9-17328.4-36.9000113.9L654 T656 L660L654-P658 WeakPolarHBondContact O-CA 3.5Å; T656-P658 VanDerWaalsContact C-CD 3.42Å; T656-P658 VanDerWaalsContact O-CD 3.29Å; T656-P658 WeakPolarHBondContact O-CD 3.41Å; P658-L660 PolarHBondContact O-N 3.26Å
659H93.3Very high94.1Very high61 Ų6155.9 Ų55.928%0.28230%0.296SS..THydrogen-bonded Turntrans-73.7-15.3173.667-84.7000113.2F657 R662F657-H659 AromaticContact CD1-CE1 3.91Å; F657-H659 PolarHBondContact O-N 3.16Å; H659-R662 VanDerWaalsContact CB-NH2 3.34Å; H659-R662 PolarHBondContact O-N 3.36Å
660L93.1Very high94Very high0 Ų055.9 Ų55.90%030%0.296CS..THydrogen-bonded Turntrans-74.1-34.9178.7-61.5-180000112.5E622 V623 F653 L654 F657 P658 R662 K663 G664 L665E622-L660 HydrophobicContact CB-CD2 3.82Å; V623-L660 HydrophobicContact CG1-CD1 3.87Å; V623-L660 HydrophobicContact CG1-CD2 4.25Å; V623-L660 HydrophobicContact CG1-CG 4.43Å; F653-L660 HydrophobicContact CD1-CD1 4.06Å; F653-L660 HydrophobicContact CE1-CD1 3.29Å; F653-L660 HydrophobicContact CZ-CD1 3.92Å; L654-L660 HydrophobicContact CD2-CB 4.21Å; L654-L660 HydrophobicContact CD2-CD1 4.44Å; F657-L660 HydrophobicContact CB-CD1 3.68Å; F657-L660 HydrophobicContact CB-CG 3.95Å; F657-L660 WeakPolarHBondContact O-CB 3.23Å; F657-L660 WeakPolarHBondContact O-CG 3.3Å; F657-L660 PolarHBondContact O-N 3.09Å; P658-L660 PolarHBondContact O-N 3.26Å; L660-R662 PolarHBondContact O-N 3.36Å; L660-K663 CarbonylContact O-C 3.6Å; L660-K663 WeakPolarHBondContact O-CA 3.4Å; L660-K663 WeakPolarHBondContact O-CB 3.29Å; L660-K663 PolarHBondContact O-N 3.29Å; L660-G664 PolarHBondContact O-N 2.94Å; L660-L665 HydrophobicContact CB-CB 4.23Å; L660-L665 HydrophobicContact CB-CD2 4.32Å; L660-L665 HydrophobicContact CD1-CD2 4.23Å; L660-L665 PolarHBondContact O-N 3.36Å; L660-L665 VanDerWaalsContact O-N 3.14Å
661E89.3Confident93.9Very high119 Ų11957.1 Ų57.156%0.55630%0.301SS*.G310 helixtrans-59.5-36.1173.2-69-175.5169.300111.5K663 G664E661-K663 PolarHBondContact O-N 3.36Å; E661-G664 WeakPolarHBondContact O-CA 3.36Å; E661-G664 PolarHBondContact O-N 2.89Å
662R88.9Confident93.8Very high202 Ų20255.5 Ų55.576%0.76230%0.303SS*.G310 helixtrans-65.2-20.6174.3-71.8-177.5-92130.7-11.5113.4H659 L660 G664H659-R662 VanDerWaalsContact CB-NH2 3.34Å; H659-R662 PolarHBondContact O-N 3.36Å; L660-R662 PolarHBondContact O-N 3.36Å; R662-G664 VanDerWaalsContact C-N 3.34Å
663K88.9Confident93.6Very high125 Ų12558.7 Ų58.754%0.54332%0.32SS..G310 helixtrans-90.22.8171.7-59.6-173.1-172.4175.90112.8E622 L660 E661E622-K663 WeakPolarHBondContact OE2-CD 3.24Å; E622-K663 IonicContact OE2-NZ 3.34Å; E622-K663 PolarHBondContact OE2-NZ 3.48Å; L660-K663 CarbonylContact O-C 3.6Å; L660-K663 WeakPolarHBondContact O-CA 3.4Å; L660-K663 WeakPolarHBondContact O-CB 3.29Å; L660-K663 PolarHBondContact O-N 3.29Å; E661-K663 PolarHBondContact O-N 3.36Å
664G89.3Confident93.4Very high49 Ų4959 Ų5951%0.50532%0.321SS..THydrogen-bonded Turntrans86.34-177.900000114.6L660 E661 R662 T666L660-G664 PolarHBondContact O-N 2.94Å; E661-G664 WeakPolarHBondContact O-CA 3.36Å; E661-G664 PolarHBondContact O-N 2.89Å; R662-G664 VanDerWaalsContact C-N 3.34Å; G664-T666 PolarHBondContact O-N 3.08Å
665L93.9Very high93.3Very high21 Ų2158.5 Ų58.511%0.1132%0.319CS..  trans-80.7107.8178.1-163.669.2000109.8F618 L619 L660 I670F618-L665 HydrophobicContact CE1-CD1 3.8Å; F618-L665 HydrophobicContact CE1-CD2 4.14Å; F618-L665 HydrophobicContact CZ-CD1 3.81Å; F618-L665 HydrophobicContact CZ-CD2 4.39Å; L619-L665 HydrophobicContact CD2-CD2 4.4Å; L660-L665 HydrophobicContact CB-CB 4.23Å; L660-L665 HydrophobicContact CB-CD2 4.32Å; L660-L665 HydrophobicContact CD1-CD2 4.23Å; L660-L665 PolarHBondContact O-N 3.36Å; L660-L665 VanDerWaalsContact O-N 3.14Å; L665-I670 HydrophobicContact CD1-CD1 4.21Å; L665-I670 HydrophobicContact CD1-CG1 3.72Å; L665-I670 HydrophobicContact CD2-CD1 4.19Å; L665-I670 HydrophobicContact CG-CD1 3.99Å; L665-I670 HydrophobicContact CG-CG1 4.03Å
666T95.1Very high93.2Very high60 Ų6054 Ų5437%0.36830%0.296SS..  trans-121.4164.9178.663.30000110.2G664 S668 A669 I670G664-T666 PolarHBondContact O-N 3.08Å; T666-S668 VanDerWaalsContact C-N 3.31Å; T666-S668 PolarHBondContact O-N 2.58Å; T666-A669 PolarHBondContact O-N 3.14Å; T666-A669 WeakPolarHBondContact OG1-CB 3.45Å; T666-A669 PolarHBondContact OG1-N 2.88Å; T666-I670 WeakPolarHBondContact O-CG1 3.39Å; T666-I670 PolarHBondContact O-N 3.04Å
667L93.4Very high93Very high36 Ų3658.9 Ų58.919%0.18831%0.308CS..Hα-helixtrans-56.3-46.4177-174.767.4000111.7Q647 L650 L654 A669 I670 Y671Q647-L667 HydrophobicContact CG-CD2 3.99Å; L650-L667 HydrophobicContact CB-CD1 3.52Å; L650-L667 HydrophobicContact CD1-CD1 3.94Å; L650-L667 HydrophobicContact CG-CD1 4.4Å; L654-L667 HydrophobicContact CD1-CB 4.29Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.29Å; L667-I670 PolarHBondContact O-N 3.06Å; L667-Y671 HydrophobicContact CD1-CD1 4.28Å; L667-Y671 HydrophobicContact CD1-CE1 3.61Å; L667-Y671 HydrophobicContact CD1-CE2 4.25Å; L667-Y671 HydrophobicContact CD2-CE2 4.06Å; L667-Y671 HydrophobicContact CG-CD2 4.34Å; L667-Y671 HydrophobicContact CG-CE1 4.07Å; L667-Y671 HydrophobicContact CG-CE2 3.83Å; L667-Y671 PolarHBondContact O-N 2.8Å
668S92.9Very high92.8Very high88 Ų8859.6 Ų59.662%0.61532%0.315SS*.Hα-helixtrans-63.1-36.3178.2-55.50000112.9T666 Y671 A672T666-S668 VanDerWaalsContact C-N 3.31Å; T666-S668 PolarHBondContact O-N 2.58Å; S668-Y671 PolarHBondContact O-N 3.04Å; S668-A672 WeakPolarHBondContact O-CB 3.31Å; S668-A672 PolarHBondContact O-N 3.02Å
669A93.7Very high92.8Very high28 Ų2857.1 Ų57.123%0.23130%0.303CS..Hα-helixtrans-66.3-45.3175.400000111.4T666 L667 Y671 A672 D673T666-A669 PolarHBondContact O-N 3.14Å; T666-A669 WeakPolarHBondContact OG1-CB 3.45Å; T666-A669 PolarHBondContact OG1-N 2.88Å; L667-A669 VanDerWaalsContact C-N 3.32Å; L667-A669 PolarHBondContact O-N 3.29Å; A669-Y671 VanDerWaalsContact C-N 3.31Å; A669-Y671 PolarHBondContact O-N 3.21Å; A669-A672 PolarHBondContact O-N 3.33Å; A669-D673 WeakPolarHBondContact O-CB 3.48Å; A669-D673 PolarHBondContact O-N 3.16Å
670I95.1Very high92.8Very high1 Ų155.9 Ų55.91%0.00530%0.299CS..Hα-helixtrans-62.2-41.2177.1-62.6171000110.7L615 L619 L650 L665 T666 L667 W674 L675L615-I670 HydrophobicContact CD1-CG2 4.03Å; L619-I670 HydrophobicContact CD2-CD1 4.46Å; L650-I670 HydrophobicContact CD1-CB 4.4Å; L650-I670 HydrophobicContact CD1-CG2 3.71Å; L650-I670 HydrophobicContact CD2-CD1 4.08Å; L650-I670 HydrophobicContact CD2-CG2 4.12Å; L665-I670 HydrophobicContact CD1-CD1 4.21Å; L665-I670 HydrophobicContact CD1-CG1 3.72Å; L665-I670 HydrophobicContact CD2-CD1 4.19Å; L665-I670 HydrophobicContact CG-CD1 3.99Å; L665-I670 HydrophobicContact CG-CG1 4.03Å; T666-I670 WeakPolarHBondContact O-CG1 3.39Å; T666-I670 PolarHBondContact O-N 3.04Å; L667-I670 PolarHBondContact O-N 3.06Å; I670-W674 WeakPolarHBondContact O-CB 3.5Å; I670-W674 PolarHBondContact O-N 2.86Å; I670-L675 PolarHBondContact O-N 3.09Å
671Y94.4Very high92.8Very high26 Ų2656.5 Ų56.510%0.10230%0.303CS..Iπ-helixtrans-60.4-51.5175.9-72.3-3.9000112R577 Q647 L650 L667 S668 A669 D673 L675 D676R577-Y671 VanDerWaalsContact NH1-CZ 3.33Å; Q647-Y671 WeakPolarHBondContact CA-OH 3.33Å; Q647-Y671 WeakPolarHBondContact CB-OH 3.2Å; Q647-Y671 PolarHBondContact N-OH 2.78Å; L650-Y671 HydrophobicContact CD1-CD1 4.14Å; L650-Y671 HydrophobicContact CD1-CE1 3.71Å; L667-Y671 HydrophobicContact CD1-CD1 4.28Å; L667-Y671 HydrophobicContact CD1-CE1 3.61Å; L667-Y671 HydrophobicContact CD1-CE2 4.25Å; L667-Y671 HydrophobicContact CD2-CE2 4.06Å; L667-Y671 HydrophobicContact CG-CD2 4.34Å; L667-Y671 HydrophobicContact CG-CE1 4.07Å; L667-Y671 HydrophobicContact CG-CE2 3.83Å; L667-Y671 PolarHBondContact O-N 2.8Å; S668-Y671 PolarHBondContact O-N 3.04Å; A669-Y671 VanDerWaalsContact C-N 3.31Å; A669-Y671 PolarHBondContact O-N 3.21Å; Y671-D673 VanDerWaalsContact C-N 3.32Å; Y671-D673 PolarHBondContact O-N 2.86Å; Y671-L675 HydrophobicContact CD1-CB 4.39Å; Y671-L675 HydrophobicContact CD1-CD1 3.46Å; Y671-L675 VanDerWaalsContact CD1-CD1 3.46Å; Y671-L675 HydrophobicContact CD1-CG 4.1Å; Y671-L675 HydrophobicContact CE1-CD1 3.51Å; Y671-L675 PolarHBondContact O-N 2.71Å; Y671-L675 VanDerWaalsContact O-N 3.09Å; Y671-D676 WeakPolarHBondContact O-CB 3.24Å; Y671-D676 PolarHBondContact O-N 3.26Å
672A93Very high92.9Very high52 Ų5258.2 Ų58.243%0.4331%0.311SS..Iπ-helixtrans-65.2-32.7-17800000113.4S668 A669 R677S668-A672 WeakPolarHBondContact O-CB 3.31Å; S668-A672 PolarHBondContact O-N 3.02Å; A669-A672 PolarHBondContact O-N 3.33Å; A672-R677 WeakPolarHBondContact O-CB 3.22Å; A672-R677 WeakPolarHBondContact O-CD 3.44Å
673D92.8Very high93.1Very high83 Ų8350.5 Ų50.544%0.44428%0.281SS..Iπ-helixtrans-90.6-36.5-176.7-71.3-18.5000113A669 Y671A669-D673 WeakPolarHBondContact O-CB 3.48Å; A669-D673 PolarHBondContact O-N 3.16Å; Y671-D673 VanDerWaalsContact C-N 3.32Å; Y671-D673 PolarHBondContact O-N 2.86Å
674W94.9Very high93.4Very high6 Ų644.5 Ų44.52%0.02326%0.255CS..Iπ-helixtrans-115-45.3-170.5-70.789.4000114.3K611 F614 L615 F618 I670 P681 W683K611-W674 VanDerWaalsContact CE-O 3.23Å; K611-W674 WeakPolarHBondContact CE-O 3.4Å; K611-W674 HydrophobicContact CG-CE3 4.32Å; F614-W674 HydrophobicContact CB-CH2 3.91Å; F614-W674 HydrophobicContact CB-CZ3 3.66Å; L615-W674 HydrophobicContact CB-CD2 4.15Å; L615-W674 HydrophobicContact CB-CE3 3.76Å; L615-W674 HydrophobicContact CB-CZ3 4.23Å; L615-W674 HydrophobicContact CD1-CB 4.07Å; L615-W674 HydrophobicContact CD1-CD2 3.91Å; L615-W674 HydrophobicContact CD1-CE3 4.41Å; L615-W674 HydrophobicContact CD1-CG 3.73Å; L615-W674 HydrophobicContact CD2-CB 4.37Å; F618-W674 HydrophobicContact CB-CH2 4.21Å; F618-W674 HydrophobicContact CB-CZ2 3.7Å; F618-W674 HydrophobicContact CD1-CZ2 4.37Å; F618-W674 AromaticContact CD1-NE1 3.84Å; F618-W674 HydrophobicContact CD2-CZ2 4.41Å; F618-W674 AromaticContact CG-CZ2 3.91Å; F618-W674 HydrophobicContact CG-CZ2 3.91Å; I670-W674 WeakPolarHBondContact O-CB 3.5Å; I670-W674 PolarHBondContact O-N 2.86Å; W674-P681 HydrophobicContact CD2-CB 4.3Å; W674-P681 HydrophobicContact CD2-CG 3.78Å; W674-P681 HydrophobicContact CE3-CG 3.66Å; W674-P681 HydrophobicContact CG-CG 4.46Å; W674-P681 HydrophobicContact CH2-CB 4.2Å; W674-P681 HydrophobicContact CH2-CG 3.98Å; W674-P681 HydrophobicContact CZ2-CB 3.97Å; W674-P681 HydrophobicContact CZ2-CG 4.1Å; W674-P681 HydrophobicContact CZ3-CB 4.47Å; W674-P681 HydrophobicContact CZ3-CG 3.75Å; W674-W683 HydrophobicContact CH2-CE3 4.05Å; W674-W683 HydrophobicContact CH2-CZ3 4.38Å; W674-W683 HydrophobicContact CZ2-CE3 4.01Å
675L93.8Very high93.6Very high0 Ų046.8 Ų46.80%025%0.253CS..Iπ-helixtrans-87.9-43.6-168.6-60.1-168.4000113.8W522 I575 L576 R577 L615 L650 I670 Y671W522-L675 HydrophobicContact CD2-CD2 4.48Å; W522-L675 HydrophobicContact CZ2-CD1 4.49Å; W522-L675 HydrophobicContact CZ2-CD2 4.08Å; I575-L675 WeakPolarHBondContact CG2-O 3.33Å; L576-L675 HydrophobicContact CB-CD2 4.06Å; L576-L675 HydrophobicContact CD1-CD2 3.91Å; L576-L675 PolarHBondContact N-O 2.89Å; R577-L675 HydrophobicContact CB-CB 4.04Å; R577-L675 PolarHBondContact N-O 2.87Å; L615-L675 HydrophobicContact CD2-CD2 3.78Å; L650-L675 HydrophobicContact CD1-CD1 4.11Å; I670-L675 PolarHBondContact O-N 3.09Å; Y671-L675 HydrophobicContact CD1-CB 4.39Å; Y671-L675 HydrophobicContact CD1-CD1 3.46Å; Y671-L675 VanDerWaalsContact CD1-CD1 3.46Å; Y671-L675 HydrophobicContact CD1-CG 4.1Å; Y671-L675 HydrophobicContact CE1-CD1 3.51Å; Y671-L675 PolarHBondContact O-N 2.71Å; Y671-L675 VanDerWaalsContact O-N 3.09Å
676D93.3Very high93.7Very high27 Ų2751.5 Ų51.514%0.14427%0.274CS..SBendtrans-103.1-5.9-166.1-62.3-20.8000113.7R577 M580 Y671R577-D676 IonicContact CZ-OD1 3.47Å; R577-D676 VanDerWaalsContact CZ-OD1 3.26Å; R577-D676 IonicContact CZ-OD2 2.92Å; R577-D676 IonicContact NE-OD1 3.25Å; R577-D676 PolarHBondContact NE-OD1 2.75Å; R577-D676 IonicContact NE-OD2 3.95Å; R577-D676 IonicContact NH2-OD1 2.69Å; R577-D676 PolarHBondContact NH2-OD1 3.08Å; R577-D676 IonicContact NH2-OD2 3.38Å; R577-D676 PolarHBondContact NH2-OD2 2.89Å; M580-D676 HydrophobicContact CE-CB 4.22Å; M580-D676 HydrophobicContact CG-CB 4.45Å; Y671-D676 WeakPolarHBondContact O-CB 3.24Å; Y671-D676 PolarHBondContact O-N 3.26Å
677R92.3Very high93.6Very high155 Ų15553.3 Ų53.359%0.58527%0.274SS*.  trans-109134.3-172.8-170.6179.7-179.7-179.5-1111.9K611 A672K611-R677 PolarHBondContact NZ-O 3.34Å; A672-R677 WeakPolarHBondContact O-CB 3.22Å; A672-R677 WeakPolarHBondContact O-CD 3.44Å
678P93.8Very high93.7Very high40 Ų4052 Ų5226%0.2627%0.268SS..  trans-68.9165.1171.630.5-36.2000111.8E571 Q574 I575E571-P678 HydrophobicContact CB-CB 3.88Å; E571-P678 HydrophobicContact CB-CG 4.19Å; E571-P678 HydrophobicContact CG-CB 4.27Å; E571-P678 HydrophobicContact CG-CG 4.48Å; E571-P678 WeakPolarHBondContact O-CB 3.43Å; Q574-P678 HydrophobicContact CB-CB 3.96Å; I575-P678 HydrophobicContact CG1-CB 4.42Å
679G93.1Very high93.7Very high21 Ų2150.2 Ų50.222%0.21626%0.259CS..SBendtrans78.9-169.3178.300000115.1K611K611-G679 PolarHBondContact NZ-O 2.93Å
680I93.1Very high93.8Very high35 Ų3552.8 Ų52.818%0.17927%0.271CS..  trans-94.4128.6-174-62.4175.7000110.1L566 L684 H685L566-I680 HydrophobicContact CD1-CD1 4.49Å; L566-I680 HydrophobicContact CD1-CG1 3.55Å; I680-L684 HydrophobicContact CG2-CB 3.93Å; I680-L684 HydrophobicContact CG2-CD2 4.06Å; I680-L684 HydrophobicContact CG2-CG 4.1Å; I680-H685 WeakPolarHBondContact CG2-NE2 3.43Å
681P93.2Very high93.8Very high13 Ų1353 Ų538%0.08427%0.272CS..  trans-63.7145.4173.3-23.234.8000112.7W674 W683 L684 H685W674-P681 HydrophobicContact CD2-CB 4.3Å; W674-P681 HydrophobicContact CD2-CG 3.78Å; W674-P681 HydrophobicContact CE3-CG 3.66Å; W674-P681 HydrophobicContact CG-CG 4.46Å; W674-P681 HydrophobicContact CH2-CB 4.2Å; W674-P681 HydrophobicContact CH2-CG 3.98Å; W674-P681 HydrophobicContact CZ2-CB 3.97Å; W674-P681 HydrophobicContact CZ2-CG 4.1Å; W674-P681 HydrophobicContact CZ3-CB 4.47Å; W674-P681 HydrophobicContact CZ3-CG 3.75Å; P681-W683 VanDerWaalsContact C-N 3.33Å; P681-W683 PolarHBondContact O-N 3.34Å; P681-L684 WeakPolarHBondContact O-CB 3.24Å; P681-L684 PolarHBondContact O-N 2.58Å; P681-H685 PolarHBondContact O-N 3.41Å
682E92.1Very high93.8Very high155 Ų15553.4 Ų53.472%0.72428%0.279SS*.Hα-helixtrans-56.2-43.5-176.9-176171.6-164.400112.9L684 H685 E686E682-L684 PolarHBondContact O-N 3.46Å; E682-L684 VanDerWaalsContact O-N 3.11Å; E682-H685 WeakPolarHBondContact O-CB 3.38Å; E682-H685 PolarHBondContact O-N 2.99Å; E682-E686 PolarHBondContact O-N 2.89Å
683W94.3Very high93.9Very high39 Ų3957.7 Ų57.715%0.14829%0.29CS..Hα-helixtrans-52.8-36.1175.7179.593.7000112.7R617 F618 S621 W674 P681 E686 R687 W691R617-W683 HydrophobicContact CB-CH2 4.49Å; F618-W683 HydrophobicContact CB-CD2 4.3Å; F618-W683 HydrophobicContact CB-CE3 4.12Å; F618-W683 HydrophobicContact CB-CH2 4.02Å; F618-W683 HydrophobicContact CB-CZ2 4.19Å; F618-W683 HydrophobicContact CB-CZ3 3.99Å; F618-W683 AromaticContact CD2-CD1 3.7Å; F618-W683 AromaticContact CD2-CD2 3.67Å; F618-W683 HydrophobicContact CD2-CD2 3.67Å; F618-W683 AromaticContact CD2-CE2 3.58Å; F618-W683 HydrophobicContact CD2-CE3 4.3Å; F618-W683 AromaticContact CD2-CG 3.75Å; F618-W683 HydrophobicContact CD2-CG 3.75Å; F618-W683 HydrophobicContact CD2-CZ2 4.14Å; F618-W683 AromaticContact CD2-NE1 3.56Å; F618-W683 AromaticContact CE2-CD1 3.86Å; F618-W683 HydrophobicContact CE2-CG 4.17Å; F618-W683 AromaticContact CE2-NE1 4Å; F618-W683 HydrophobicContact CG-CD2 4.43Å; S621-W683 WeakPolarHBondContact OG-CZ2 3.35Å; W674-W683 HydrophobicContact CH2-CE3 4.05Å; W674-W683 HydrophobicContact CH2-CZ3 4.38Å; W674-W683 HydrophobicContact CZ2-CE3 4.01Å; P681-W683 VanDerWaalsContact C-N 3.33Å; P681-W683 PolarHBondContact O-N 3.34Å; W683-E686 PolarHBondContact O-N 3.13Å; W683-R687 HydrophobicContact CD2-CG 3.75Å; W683-R687 VanDerWaalsContact CE2-CG 3.49Å; W683-R687 HydrophobicContact CE3-CB 4.48Å; W683-R687 HydrophobicContact CE3-CG 3.98Å; W683-R687 HydrophobicContact CG-CG 4.46Å; W683-R687 HydrophobicContact CH2-CB 4.48Å; W683-R687 HydrophobicContact CH2-CG 3.79Å; W683-R687 HydrophobicContact CZ2-CG 3.54Å; W683-R687 HydrophobicContact CZ3-CB 4.39Å; W683-R687 HydrophobicContact CZ3-CG 4Å; W683-R687 WeakPolarHBondContact O-CB 3.01Å; W683-R687 WeakPolarHBondContact O-CG 3.21Å; W683-R687 PolarHBondContact O-N 3.37Å; W683-W691 HydrophobicContact CZ3-CH2 4.48Å
684L94.8Very high94Very high0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-74.1-32.5-177.9-174.355.5000111.9L562 F614 I680 P681 E682 S688 W691L562-L684 HydrophobicContact CD2-CD2 4.12Å; F614-L684 HydrophobicContact CB-CD1 4.31Å; F614-L684 HydrophobicContact CB-CD2 4.05Å; F614-L684 HydrophobicContact CD1-CD1 3.46Å; F614-L684 VanDerWaalsContact CD1-CD1 3.46Å; F614-L684 HydrophobicContact CD1-CD2 4.31Å; F614-L684 HydrophobicContact CD2-CD1 4.15Å; F614-L684 HydrophobicContact CD2-CD2 3.52Å; F614-L684 HydrophobicContact CE1-CD1 3.7Å; F614-L684 HydrophobicContact CE2-CD1 4.37Å; F614-L684 HydrophobicContact CE2-CD2 4.03Å; F614-L684 HydrophobicContact CG-CD1 3.72Å; F614-L684 HydrophobicContact CG-CD2 3.71Å; F614-L684 HydrophobicContact CG-CG 4.41Å; F614-L684 HydrophobicContact CZ-CD1 4.16Å; I680-L684 HydrophobicContact CG2-CB 3.93Å; I680-L684 HydrophobicContact CG2-CD2 4.06Å; I680-L684 HydrophobicContact CG2-CG 4.1Å; P681-L684 WeakPolarHBondContact O-CB 3.24Å; P681-L684 PolarHBondContact O-N 2.58Å; E682-L684 PolarHBondContact O-N 3.46Å; E682-L684 VanDerWaalsContact O-N 3.11Å; L684-S688 WeakPolarHBondContact O-CB 3.34Å; L684-S688 PolarHBondContact O-N 2.91Å; L684-S688 PolarHBondContact O-OG 3.48Å; L684-W691 HydrophobicContact CD1-CH2 3.71Å; L684-W691 HydrophobicContact CD1-CZ3 3.63Å
685H93.9Very high94Very high97 Ų9760.1 Ų60.145%0.44930%0.296SS..Hα-helixtrans-64.1-42.3170.5-75.9-69.7000112.2I680 P681 E682 S688 A689I680-H685 WeakPolarHBondContact CG2-NE2 3.43Å; P681-H685 PolarHBondContact O-N 3.41Å; E682-H685 WeakPolarHBondContact O-CB 3.38Å; E682-H685 PolarHBondContact O-N 2.99Å; H685-S688 PolarHBondContact O-OG 2.82Å; H685-A689 PolarHBondContact O-N 2.92Å
686E94.1Very high94.1Very high120 Ų12061.1 Ų61.156%0.56130%0.301SS*.Hα-helixtrans-66.8-42.7178.4-63.3-176160.600111.6E682 W683 A689E682-E686 PolarHBondContact O-N 2.89Å; W683-E686 PolarHBondContact O-N 3.13Å; E686-A689 WeakPolarHBondContact O-CB 3.47Å; E686-A689 PolarHBondContact O-N 3.41Å
687R94.4Very high94.2Very high97 Ų9759.9 Ų59.937%0.36629%0.294SS..Hα-helixtrans-70.3-36.3-179.5-73.2-61.9-169174.41.1113.4W683 A689 V690 W691W683-R687 HydrophobicContact CD2-CG 3.75Å; W683-R687 VanDerWaalsContact CE2-CG 3.49Å; W683-R687 HydrophobicContact CE3-CB 4.48Å; W683-R687 HydrophobicContact CE3-CG 3.98Å; W683-R687 HydrophobicContact CG-CG 4.46Å; W683-R687 HydrophobicContact CH2-CB 4.48Å; W683-R687 HydrophobicContact CH2-CG 3.79Å; W683-R687 HydrophobicContact CZ2-CG 3.54Å; W683-R687 HydrophobicContact CZ3-CB 4.39Å; W683-R687 HydrophobicContact CZ3-CG 4Å; W683-R687 WeakPolarHBondContact O-CB 3.01Å; W683-R687 WeakPolarHBondContact O-CG 3.21Å; W683-R687 PolarHBondContact O-N 3.37Å; R687-A689 PolarHBondContact O-N 2.94Å; R687-V690 WeakPolarHBondContact O-CB 3.31Å; R687-V690 PolarHBondContact O-N 3.34Å; R687-W691 HydrophobicContact CB-CH2 3.75Å; R687-W691 HydrophobicContact CB-CZ2 3.77Å; R687-W691 HydrophobicContact CB-CZ3 4.19Å; R687-W691 HydrophobicContact CG-CZ2 4.49Å; R687-W691 PolarHBondContact O-N 3.27Å
688S94.4Very high94.4Very high9 Ų956.6 Ų56.66%0.06329%0.286CS..Hα-helixtrans-62.4-34.7176.870.80000112.1W559 L684 H685 V690 W691 S692W559-S688 VanDerWaalsContact CE2-CB 3.44Å; W559-S688 WeakPolarHBondContact CZ2-OG 3.34Å; L684-S688 WeakPolarHBondContact O-CB 3.34Å; L684-S688 PolarHBondContact O-N 2.91Å; L684-S688 PolarHBondContact O-OG 3.48Å; H685-S688 PolarHBondContact O-OG 2.82Å; S688-V690 VanDerWaalsContact C-N 3.29Å; S688-V690 PolarHBondContact O-N 3.4Å; S688-W691 PolarHBondContact O-N 3.14Å; S688-S692 WeakPolarHBondContact O-CB 3.41Å; S688-S692 PolarHBondContact O-N 2.92Å
689A94Very high94.5Very high51 Ų5156.3 Ų56.342%0.42128%0.281SS..Hα-helixtrans-61-37.5172.800000112.2H685 E686 R687 S692H685-A689 PolarHBondContact O-N 2.92Å; E686-A689 WeakPolarHBondContact O-CB 3.47Å; E686-A689 PolarHBondContact O-N 3.41Å; R687-A689 PolarHBondContact O-N 2.94Å; A689-S692 PolarHBondContact O-OG 3.38Å
690V94.9Very high94.7Very high81 Ų8155.3 Ų55.349%0.49127%0.271SS..Hα-helixtrans-68.4-48.6175.3-178.60000111.2R687 S688 S692 Q693R687-V690 WeakPolarHBondContact O-CB 3.31Å; R687-V690 PolarHBondContact O-N 3.34Å; S688-V690 VanDerWaalsContact C-N 3.29Å; S688-V690 PolarHBondContact O-N 3.4Å; V690-S692 PolarHBondContact O-N 3.25Å; V690-Q693 PolarHBondContact O-N 3.35Å
691W95.8Very high94.8Very high7 Ų757 Ų573%0.02728%0.277CS..Hα-helixtrans-62.5-30.7178.8-57.4-40000112.5D552 A555 L556 W559 F614 W683 L684 R687 S688 Q693 A694D552-W691 HydrophobicContact CB-CG 4.48Å; D552-W691 VanDerWaalsContact OD1-CD1 3.31Å; D552-W691 PolarHBondContact OD1-NE1 2.95Å; A555-W691 HydrophobicContact CB-CD2 3.83Å; A555-W691 HydrophobicContact CB-CE3 3.86Å; A555-W691 HydrophobicContact CB-CG 4.47Å; A555-W691 HydrophobicContact CB-CH2 4.09Å; A555-W691 HydrophobicContact CB-CZ2 4Å; A555-W691 HydrophobicContact CB-CZ3 4.01Å; L556-W691 HydrophobicContact CB-CB 4.03Å; L556-W691 HydrophobicContact CD1-CB 4.41Å; W559-W691 HydrophobicContact CB-CZ3 4.46Å; F614-W691 AromaticContact CD1-CH2 4Å; F614-W691 HydrophobicContact CD1-CH2 4Å; F614-W691 HydrophobicContact CD1-CZ3 4.36Å; F614-W691 AromaticContact CE1-CH2 3.71Å; F614-W691 HydrophobicContact CE1-CH2 3.71Å; F614-W691 AromaticContact CE1-CZ3 3.7Å; F614-W691 HydrophobicContact CE1-CZ3 3.7Å; F614-W691 HydrophobicContact CZ-CZ3 4.45Å; W683-W691 HydrophobicContact CZ3-CH2 4.48Å; L684-W691 HydrophobicContact CD1-CH2 3.71Å; L684-W691 HydrophobicContact CD1-CZ3 3.63Å; R687-W691 HydrophobicContact CB-CH2 3.75Å; R687-W691 HydrophobicContact CB-CZ2 3.77Å; R687-W691 HydrophobicContact CB-CZ3 4.19Å; R687-W691 HydrophobicContact CG-CZ2 4.49Å; R687-W691 PolarHBondContact O-N 3.27Å; S688-W691 PolarHBondContact O-N 3.14Å; W691-Q693 PolarHBondContact O-N 3.28Å; W691-Q693 VanDerWaalsContact O-N 3.14Å; W691-A694 WeakPolarHBondContact O-CB 3.37Å; W691-A694 PolarHBondContact O-N 2.9Å
692S93.9Very high94.9Very high34 Ų3458.8 Ų58.824%0.23829%0.293CS..THydrogen-bonded Turntrans-59.8-23.6174.784.80000113.5S688 A689 V690 V697 K701S688-S692 WeakPolarHBondContact O-CB 3.41Å; S688-S692 PolarHBondContact O-N 2.92Å; A689-S692 PolarHBondContact O-OG 3.38Å; V690-S692 PolarHBondContact O-N 3.25Å; S692-V697 WeakPolarHBondContact O-CG1 3.42Å; S692-K701 WeakPolarHBondContact O-CE 3.47Å; S692-K701 PolarHBondContact O-NZ 3.49Å
693Q95.1Very high95Very high142 Ų14251.9 Ų51.966%0.66426%0.26SS*.THydrogen-bonded Turntrans-101.65.2179-59176.911.700112.2V690 W691V690-Q693 PolarHBondContact O-N 3.35Å; W691-Q693 PolarHBondContact O-N 3.28Å; W691-Q693 VanDerWaalsContact O-N 3.14Å
694A94.7Very high95.1Very high14 Ų1450.6 Ų50.612%0.11626%0.257CS..SBendtrans-62.3148.1178.800000111D552 W691 L696 V697 E698D552-A694 HydrophobicContact CB-CB 4.01Å; W691-A694 WeakPolarHBondContact O-CB 3.37Å; W691-A694 PolarHBondContact O-N 2.9Å; A694-L696 PolarHBondContact O-N 2.94Å; A694-V697 HydrophobicContact CB-CG2 4.2Å; A694-V697 WeakPolarHBondContact O-CB 3.28Å; A694-V697 PolarHBondContact O-N 2.99Å; A694-E698 PolarHBondContact O-N 2.91Å
695R95.8Very high95Very high126 Ų12654.5 Ų54.548%0.47528%0.28SS..Hα-helixtrans-53.1-48.9-173.7-176.6-162.5151.1156.1-1.5113.1V697 E698 E699R695-V697 VanDerWaalsContact C-N 3.25Å; R695-V697 PolarHBondContact O-N 3.36Å; R695-E698 PolarHBondContact O-N 2.93Å; R695-E699 IonicContact CZ-OE1 3Å; R695-E699 VanDerWaalsContact CZ-OE1 3.3Å; R695-E699 IonicContact NE-OE1 2.65Å; R695-E699 PolarHBondContact NE-OE1 3.39Å; R695-E699 IonicContact NH2-OE1 3.84Å; R695-E699 PolarHBondContact NH2-OE1 3.15Å; R695-E699 WeakPolarHBondContact O-CG 3.43Å; R695-E699 PolarHBondContact O-N 3.2Å
696L95.7Very high94.9Very high20 Ų2053.5 Ų53.511%0.10528%0.275CS..Hα-helixtrans-66.1-29.9-178.4-64.4-175.9000112.4E549 Q550 L553 A694 V700 Q737E549-L696 HydrophobicContact CB-CD1 3.93Å; E549-L696 HydrophobicContact CB-CG 4.06Å; E549-L696 WeakPolarHBondContact O-CD1 3.38Å; Q550-L696 HydrophobicContact CG-CD1 4.47Å; L553-L696 HydrophobicContact CD2-CB 4.24Å; L553-L696 HydrophobicContact CD2-CD1 4.28Å; A694-L696 PolarHBondContact O-N 2.94Å; L696-V700 WeakPolarHBondContact O-CG2 3.36Å; L696-V700 PolarHBondContact O-N 3.06Å; L696-V700 VanDerWaalsContact O-N 3.16Å; L696-Q737 PolarHBondContact O-NE2 3.44Å
697V95.9Very high94.8Very high2 Ų248 Ų481%0.01225%0.249CC..Hα-helixtrans-72.6-45.4176.3179.60000110.3L553 L556 S692 A694 R695 E699 V700 K701L553-V697 HydrophobicContact CD1-CG2 3.73Å; L556-V697 HydrophobicContact CD2-CB 4.36Å; L556-V697 HydrophobicContact CD2-CG1 3.75Å; L556-V697 HydrophobicContact CD2-CG2 3.68Å; S692-V697 WeakPolarHBondContact O-CG1 3.42Å; A694-V697 HydrophobicContact CB-CG2 4.2Å; A694-V697 WeakPolarHBondContact O-CB 3.28Å; A694-V697 PolarHBondContact O-N 2.99Å; R695-V697 VanDerWaalsContact C-N 3.25Å; R695-V697 PolarHBondContact O-N 3.36Å; V697-E699 VanDerWaalsContact C-N 3.29Å; V697-E699 PolarHBondContact O-N 2.96Å; V697-V700 WeakPolarHBondContact O-CB 3.23Å; V697-V700 PolarHBondContact O-N 3.4Å; V697-K701 WeakPolarHBondContact O-CG 3.37Å; V697-K701 PolarHBondContact O-N 3Å
698E96.1Very high94.6Very high85 Ų8544.3 Ų44.340%0.39724%0.236SC..Hα-helixtrans-61.9-37.2175-71.9-59.4132.400112.2A694 R695 V700 K701 A702A694-E698 PolarHBondContact O-N 2.91Å; R695-E698 PolarHBondContact O-N 2.93Å; E698-V700 VanDerWaalsContact C-N 3.34Å; E698-V700 PolarHBondContact O-N 3.18Å; E698-K701 PolarHBondContact O-N 3.1Å; E698-K701 WeakPolarHBondContact OE1-CD 3.34Å; E698-K701 IonicContact OE1-NZ 2.79Å; E698-K701 PolarHBondContact OE1-NZ 3.23Å; E698-A702 WeakPolarHBondContact O-CB 3.24Å; E698-A702 PolarHBondContact O-N 2.88Å
699E95.7Very high94.3Very high35 Ų3548.7 Ų48.716%0.16426%0.258CS..Hα-helixtrans-59.8-43.1170.9-73.6179.8179.200111.8R695 V697 A702 E703 K731 Q737R695-E699 IonicContact CZ-OE1 3Å; R695-E699 VanDerWaalsContact CZ-OE1 3.3Å; R695-E699 IonicContact NE-OE1 2.65Å; R695-E699 PolarHBondContact NE-OE1 3.39Å; R695-E699 IonicContact NH2-OE1 3.84Å; R695-E699 PolarHBondContact NH2-OE1 3.15Å; R695-E699 WeakPolarHBondContact O-CG 3.43Å; R695-E699 PolarHBondContact O-N 3.2Å; V697-E699 VanDerWaalsContact C-N 3.29Å; V697-E699 PolarHBondContact O-N 2.96Å; E699-A702 PolarHBondContact O-N 3.48Å; E699-E703 PolarHBondContact O-N 2.89Å; E699-K731 IonicContact OE1-NZ 2.62Å; E699-K731 PolarHBondContact OE1-NZ 3.43Å; E699-K731 IonicContact OE2-NZ 3.51Å; E699-K731 PolarHBondContact OE2-NZ 3.39Å; E699-Q737 PolarHBondContact OE2-NE2 3.38Å
700V96.7Very high93.8Very high0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-67-46.11771720000111.4L696 V697 E698 A702 E703 V704 Q737 M740 L741 L744L696-V700 WeakPolarHBondContact O-CG2 3.36Å; L696-V700 PolarHBondContact O-N 3.06Å; L696-V700 VanDerWaalsContact O-N 3.16Å; V697-V700 WeakPolarHBondContact O-CB 3.23Å; V697-V700 PolarHBondContact O-N 3.4Å; E698-V700 VanDerWaalsContact C-N 3.34Å; E698-V700 PolarHBondContact O-N 3.18Å; V700-A702 PolarHBondContact O-N 2.92Å; V700-E703 CarbonylContact O-C 3.54Å; V700-E703 WeakPolarHBondContact O-CA 3.3Å; V700-E703 WeakPolarHBondContact O-CB 3.46Å; V700-E703 PolarHBondContact O-N 2.84Å; V700-V704 HydrophobicContact CG1-CG2 4.25Å; V700-V704 WeakPolarHBondContact O-CG2 3.35Å; V700-V704 PolarHBondContact O-N 3.49Å; V700-Q737 HydrophobicContact CG2-CB 3.57Å; V700-Q737 HydrophobicContact CG2-CG 3.67Å; V700-M740 HydrophobicContact CB-CG 4.32Å; V700-M740 HydrophobicContact CG1-CB 4.12Å; V700-M740 HydrophobicContact CG1-CG 3.8Å; V700-L741 HydrophobicContact CG1-CB 3.88Å; V700-L744 HydrophobicContact CG1-CD1 4.17Å
701K95.8Very high93.3Very high70 Ų7043.4 Ų43.430%0.30422%0.222SC..Hα-helixtrans-56.2-40.4176.1-72.1178-175.1166.50111.8S692 V697 E698 E703 V704 V705 L744S692-K701 WeakPolarHBondContact O-CE 3.47Å; S692-K701 PolarHBondContact O-NZ 3.49Å; V697-K701 WeakPolarHBondContact O-CG 3.37Å; V697-K701 PolarHBondContact O-N 3Å; E698-K701 PolarHBondContact O-N 3.1Å; E698-K701 WeakPolarHBondContact OE1-CD 3.34Å; E698-K701 IonicContact OE1-NZ 2.79Å; E698-K701 PolarHBondContact OE1-NZ 3.23Å; K701-E703 VanDerWaalsContact C-N 3.33Å; K701-E703 PolarHBondContact O-N 2.95Å; K701-V704 WeakPolarHBondContact O-CB 3.28Å; K701-V704 PolarHBondContact O-N 2.82Å; K701-V705 WeakPolarHBondContact O-CG2 3.32Å; K701-V705 PolarHBondContact O-N 3.09Å; K701-L744 HydrophobicContact CG-CD1 4.12Å
702A95.2Very high92.7Very high51 Ų5150 Ų5042%0.42125%0.247SC..Hα-helixtrans-62.9-37.9175.300000112.4E698 E699 V700 K706E698-A702 WeakPolarHBondContact O-CB 3.24Å; E698-A702 PolarHBondContact O-N 2.88Å; E699-A702 PolarHBondContact O-N 3.48Å; V700-A702 PolarHBondContact O-N 2.92Å; A702-K706 WeakPolarHBondContact O-CG 3.48Å; A702-K706 PolarHBondContact O-N 2.82Å
703E94.7Very high91.9Very high10 Ų1051.5 Ų51.55%0.04726%0.255CS..Hα-helixtrans-69.3-40.7173-66.1-56.5131.900112.3E699 V700 K701 V705 K706 W707 K731 L733 L741E699-E703 PolarHBondContact O-N 2.89Å; V700-E703 CarbonylContact O-C 3.54Å; V700-E703 WeakPolarHBondContact O-CA 3.3Å; V700-E703 WeakPolarHBondContact O-CB 3.46Å; V700-E703 PolarHBondContact O-N 2.84Å; K701-E703 VanDerWaalsContact C-N 3.33Å; K701-E703 PolarHBondContact O-N 2.95Å; E703-V705 VanDerWaalsContact C-N 3.31Å; E703-V705 PolarHBondContact O-N 3.07Å; E703-K706 WeakPolarHBondContact O-CB 3.2Å; E703-K706 PolarHBondContact O-N 2.95Å; E703-K706 VanDerWaalsContact O-N 3.08Å; E703-K706 IonicContact OE1-NZ 2.63Å; E703-K706 PolarHBondContact OE1-NZ 3.37Å; E703-K706 IonicContact OE2-NZ 2.65Å; E703-W707 PolarHBondContact O-N 2.95Å; E703-W707 VanDerWaalsContact O-N 3.12Å; E703-K731 HydrophobicContact CG-CB 4.29Å; E703-K731 PolarHBondContact OE2-N 2.82Å; E703-L733 HydrophobicContact CG-CD2 4.42Å; E703-L741 HydrophobicContact CB-CD1 4.4Å
704V94.6Very high90.6Very high12 Ų1247.1 Ų47.17%0.07323%0.234CC..Hα-helixtrans-54.1-48.3175172.70000110.5V700 K701 K706 W707 I708 L741 L744 L745V700-V704 HydrophobicContact CG1-CG2 4.25Å; V700-V704 WeakPolarHBondContact O-CG2 3.35Å; V700-V704 PolarHBondContact O-N 3.49Å; K701-V704 WeakPolarHBondContact O-CB 3.28Å; K701-V704 PolarHBondContact O-N 2.82Å; V704-K706 VanDerWaalsContact C-N 3.28Å; V704-K706 PolarHBondContact O-N 3.32Å; V704-W707 WeakPolarHBondContact O-CB 3.08Å; V704-W707 PolarHBondContact O-N 3.3Å; V704-I708 HydrophobicContact CG1-CD1 3.59Å; V704-I708 HydrophobicContact CG1-CG1 4.22Å; V704-I708 WeakPolarHBondContact O-CG1 3.41Å; V704-I708 PolarHBondContact O-N 3.15Å; V704-L741 HydrophobicContact CB-CD1 4.32Å; V704-L741 HydrophobicContact CG2-CD1 3.48Å; V704-L741 VanDerWaalsContact CG2-CD1 3.48Å; V704-L744 HydrophobicContact CG1-CB 4.35Å; V704-L744 HydrophobicContact CG2-CB 3.73Å; V704-L744 HydrophobicContact CG2-CD1 3.83Å; V704-L744 HydrophobicContact CG2-CG 4.45Å; V704-L745 HydrophobicContact CG1-CD2 4.18Å
705V94Very high89.1Confident81 Ų8150.7 Ų50.749%0.49125%0.248SC..Hα-helixtrans-57.6-40.2178.3171.70000111.7K701 E703 W707 I708 L709K701-V705 WeakPolarHBondContact O-CG2 3.32Å; K701-V705 PolarHBondContact O-N 3.09Å; E703-V705 VanDerWaalsContact C-N 3.31Å; E703-V705 PolarHBondContact O-N 3.07Å; V705-W707 VanDerWaalsContact C-N 3.35Å; V705-W707 PolarHBondContact O-N 2.8Å; V705-I708 PolarHBondContact O-N 3.09Å; V705-L709 HydrophobicContact CG1-CD1 3.85Å; V705-L709 HydrophobicContact CG1-CG 4.3Å; V705-L709 WeakPolarHBondContact O-CB 3.32Å; V705-L709 VanDerWaalsContact O-CG 3.26Å; V705-L709 WeakPolarHBondContact O-CG 3.26Å; V705-L709 PolarHBondContact O-N 3.43Å
706K92Very high87.5Confident76 Ų7648.4 Ų48.433%0.3326%0.256SS..Hα-helixtrans-62.7-41.8176.3-64.5172.5-173175.50111.5A702 E703 V704 S710 V728 Y730A702-K706 WeakPolarHBondContact O-CG 3.48Å; A702-K706 PolarHBondContact O-N 2.82Å; E703-K706 WeakPolarHBondContact O-CB 3.2Å; E703-K706 PolarHBondContact O-N 2.95Å; E703-K706 VanDerWaalsContact O-N 3.08Å; E703-K706 IonicContact OE1-NZ 2.63Å; E703-K706 PolarHBondContact OE1-NZ 3.37Å; E703-K706 IonicContact OE2-NZ 2.65Å; V704-K706 VanDerWaalsContact C-N 3.28Å; V704-K706 PolarHBondContact O-N 3.32Å; K706-S710 WeakPolarHBondContact O-CB 3.45Å; K706-S710 PolarHBondContact O-N 2.79Å; K706-V728 HydrophobicContact CD-CG1 4.44Å; K706-Y730 HydrophobicContact CB-CE1 4.31Å
707W91.4Very high85.5Confident4 Ų451.1 Ų51.12%0.01527%0.267CS..Hα-helixtrans-66.6-43.8178.1-75.6109.4000112.5E703 V704 V705 S710 S711 Y730 L745 A758 L759 T762 Y763E703-W707 PolarHBondContact O-N 2.95Å; E703-W707 VanDerWaalsContact O-N 3.12Å; V704-W707 WeakPolarHBondContact O-CB 3.08Å; V704-W707 PolarHBondContact O-N 3.3Å; V705-W707 VanDerWaalsContact C-N 3.35Å; V705-W707 PolarHBondContact O-N 2.8Å; W707-S710 WeakPolarHBondContact O-CB 3.15Å; W707-S710 PolarHBondContact O-N 3.14Å; W707-S711 WeakPolarHBondContact O-CB 3.44Å; W707-S711 PolarHBondContact O-N 3.25Å; W707-Y730 HydrophobicContact CD2-CD1 4.41Å; W707-Y730 AromaticContact CD2-CE1 3.71Å; W707-Y730 HydrophobicContact CD2-CE1 3.71Å; W707-Y730 AromaticContact CE2-CD1 3.57Å; W707-Y730 AromaticContact CE2-CE1 3.31Å; W707-Y730 AromaticContact CE2-CZ 3.83Å; W707-Y730 HydrophobicContact CE3-CE1 4.16Å; W707-Y730 HydrophobicContact CG-CE1 4.26Å; W707-Y730 HydrophobicContact CH2-CD1 4.35Å; W707-Y730 HydrophobicContact CH2-CD2 4.13Å; W707-Y730 AromaticContact CH2-CE1 3.9Å; W707-Y730 HydrophobicContact CH2-CE1 3.9Å; W707-Y730 AromaticContact CH2-CE2 3.66Å; W707-Y730 HydrophobicContact CH2-CE2 3.66Å; W707-Y730 HydrophobicContact CH2-CG 4.45Å; W707-Y730 AromaticContact CH2-CZ 3.52Å; W707-Y730 AromaticContact CZ2-CD1 3.55Å; W707-Y730 HydrophobicContact CZ2-CD1 3.55Å; W707-Y730 AromaticContact CZ2-CD2 3.92Å; W707-Y730 HydrophobicContact CZ2-CD2 3.92Å; W707-Y730 AromaticContact CZ2-CE1 3.43Å; W707-Y730 HydrophobicContact CZ2-CE1 3.43Å; W707-Y730 VanDerWaalsContact CZ2-CE1 3.43Å; W707-Y730 AromaticContact CZ2-CE2 3.82Å; W707-Y730 HydrophobicContact CZ2-CE2 3.82Å; W707-Y730 AromaticContact CZ2-CG 3.79Å; W707-Y730 HydrophobicContact CZ2-CG 3.79Å; W707-Y730 AromaticContact CZ2-CZ 3.56Å; W707-Y730 HydrophobicContact CZ3-CE1 4.25Å; W707-Y730 HydrophobicContact CZ3-CE2 4.28Å; W707-Y730 AromaticContact CZ3-CZ 3.79Å; W707-Y730 AromaticContact NE1-CD1 3.6Å; W707-Y730 AromaticContact NE1-CE1 3.63Å; W707-L745 HydrophobicContact CB-CD2 4.1Å; W707-A758 HydrophobicContact CH2-CB 4.12Å; W707-A758 HydrophobicContact CZ3-CB 3.82Å; W707-L759 HydrophobicContact CD2-CD1 3.89Å; W707-L759 HydrophobicContact CE3-CB 4.4Å; W707-L759 HydrophobicContact CE3-CD1 4.32Å; W707-L759 HydrophobicContact CG-CD1 4.41Å; W707-L759 HydrophobicContact CH2-CB 4.14Å; W707-L759 HydrophobicContact CH2-CD1 4.21Å; W707-L759 HydrophobicContact CZ2-CD1 3.75Å; W707-L759 HydrophobicContact CZ3-CB 4.07Å; W707-L759 HydrophobicContact CZ3-CD1 4.47Å; W707-T762 HydrophobicContact CZ2-CG2 4.3Å; W707-Y763 AromaticContact CZ2-CE2 3.9Å; W707-Y763 HydrophobicContact CZ2-CE2 3.9Å; W707-Y763 AromaticContact NE1-CE2 3.86Å
708I89.9Confident83.3Confident21 Ų2154.4 Ų54.411%0.10830%0.301CS..Hα-helixtrans-61.4-48176.4-65.6168.2000110.9V704 V705 S710 S711 R712 L745 E748V704-I708 HydrophobicContact CG1-CD1 3.59Å; V704-I708 HydrophobicContact CG1-CG1 4.22Å; V704-I708 WeakPolarHBondContact O-CG1 3.41Å; V704-I708 PolarHBondContact O-N 3.15Å; V705-I708 PolarHBondContact O-N 3.09Å; I708-S710 VanDerWaalsContact C-N 3.32Å; I708-S710 PolarHBondContact O-N 2.95Å; I708-S711 WeakPolarHBondContact O-CB 3.43Å; I708-S711 PolarHBondContact O-N 3.39Å; I708-R712 WeakPolarHBondContact O-CG 3.46Å; I708-R712 PolarHBondContact O-N 2.9Å; I708-L745 HydrophobicContact CG1-CD2 4.4Å; I708-E748 VanDerWaalsContact CD1-CD 3.45Å; I708-E748 HydrophobicContact CD1-CG 3.89Å; I708-E748 VanDerWaalsContact CD1-OE1 3.28Å; I708-E748 WeakPolarHBondContact CD1-OE1 3.25Å; I708-E748 HydrophobicContact CG1-CG 3.98Å
709L88.1Confident81Confident100 Ų10061.5 Ų61.552%0.52432%0.324SS..Hα-helixtrans-62.7-39.4179-72174.3000112V705 T713V705-L709 HydrophobicContact CG1-CD1 3.85Å; V705-L709 HydrophobicContact CG1-CG 4.3Å; V705-L709 WeakPolarHBondContact O-CB 3.32Å; V705-L709 VanDerWaalsContact O-CG 3.26Å; V705-L709 WeakPolarHBondContact O-CG 3.26Å; V705-L709 PolarHBondContact O-N 3.43Å; L709-T713 WeakPolarHBondContact O-CB 3.22Å; L709-T713 PolarHBondContact O-N 3.36Å; L709-T713 VanDerWaalsContact O-N 3.07Å; L709-T713 PolarHBondContact O-OG1 3Å
710S84Confident78.6Confident19 Ų1968.8 Ų68.813%0.13336%0.355CS..Hα-helixtrans-60-48.6173.3-176.30000110.9K706 W707 I708 R712 T713 H714K706-S710 WeakPolarHBondContact O-CB 3.45Å; K706-S710 PolarHBondContact O-N 2.79Å; W707-S710 WeakPolarHBondContact O-CB 3.15Å; W707-S710 PolarHBondContact O-N 3.14Å; I708-S710 VanDerWaalsContact C-N 3.32Å; I708-S710 PolarHBondContact O-N 2.95Å; S710-R712 PolarHBondContact O-N 3.11Å; S710-T713 WeakPolarHBondContact O-CB 3.26Å; S710-T713 PolarHBondContact O-N 2.81Å; S710-T713 VanDerWaalsContact O-N 3.15Å; S710-H714 PolarHBondContact O-CD2 2.9Å; S710-H714 PolarHBondContact O-N 3.44Å
711S84.1Confident76.3Confident2 Ų280 Ų801%0.01440%0.398CS..Hα-helixtrans-55.5-51.4178.1-175.90000113W707 I708 T713 H714 Q715 S752 S755W707-S711 WeakPolarHBondContact O-CB 3.44Å; W707-S711 PolarHBondContact O-N 3.25Å; I708-S711 WeakPolarHBondContact O-CB 3.43Å; I708-S711 PolarHBondContact O-N 3.39Å; S711-T713 VanDerWaalsContact C-N 3.28Å; S711-T713 PolarHBondContact O-N 3.05Å; S711-H714 PolarHBondContact O-N 3.06Å; S711-H714 VanDerWaalsContact O-N 3.15Å; S711-Q715 PolarHBondContact O-N 3.2Å; S711-S752 PolarHBondContact OG-N 3Å; S711-S755 WeakPolarHBondContact CA-OG 3.36Å; S711-S755 WeakPolarHBondContact CB-OG 3.35Å; S711-S755 PolarHBondContact N-OG 3.01Å
712R84.2Confident73.8Confident147 Ų14787.3 Ų87.356%0.55543%0.429SS*.Hα-helixtrans-61.6-36.8178.1-66.7177.4-175.1177.64.8112.1I708 S710 Q715 A716 E748I708-R712 WeakPolarHBondContact O-CG 3.46Å; I708-R712 PolarHBondContact O-N 2.9Å; S710-R712 PolarHBondContact O-N 3.11Å; R712-Q715 PolarHBondContact O-N 3.09Å; R712-A716 WeakPolarHBondContact O-CB 3.28Å; R712-A716 PolarHBondContact O-N 3.46Å; R712-E748 IonicContact NH2-OE2 3.91Å
713T77.3Confident71.5Confident65 Ų6595.1 Ų95.140%0.39945%0.448SS..Hα-helixtrans-67.2-39.4177-55.90000111.9L709 S710 S711 A716 K717L709-T713 WeakPolarHBondContact O-CB 3.22Å; L709-T713 PolarHBondContact O-N 3.36Å; L709-T713 VanDerWaalsContact O-N 3.07Å; L709-T713 PolarHBondContact O-OG1 3Å; S710-T713 WeakPolarHBondContact O-CB 3.26Å; S710-T713 PolarHBondContact O-N 2.81Å; S710-T713 VanDerWaalsContact O-N 3.15Å; S711-T713 VanDerWaalsContact C-N 3.28Å; S711-T713 PolarHBondContact O-N 3.05Å; T713-A716 PolarHBondContact O-N 3.22Å; T713-K717 HydrophobicContact CG2-CD 4.29Å; T713-K717 WeakPolarHBondContact O-CB 3.39Å; T713-K717 WeakPolarHBondContact O-CG 3.44Å; T713-K717 PolarHBondContact O-N 2.9Å
714H67.9Low69.2Low49 Ų4999.3 Ų99.323%0.22748%0.484CS..Hα-helixtrans-70.1-37.2177.2-78.3-72.4000112.3S710 S711 K717 E725S710-H714 PolarHBondContact O-CD2 2.9Å; S710-H714 PolarHBondContact O-N 3.44Å; S711-H714 PolarHBondContact O-N 3.06Å; S711-H714 VanDerWaalsContact O-N 3.15Å; H714-K717 PolarHBondContact O-N 3.4Å; H714-E725 IonicContact CE1-OE1 2.97Å; H714-E725 PolarHBondContact CE1-OE1 3.02Å
715Q63Low67.1Low89 Ų89105.5 Ų105.542%0.41651%0.512SS..Hα-helixtrans-62-44.4171-71.9177.5-22.900111.6S711 R712 K717 G718 E750S711-Q715 PolarHBondContact O-N 3.2Å; R712-Q715 PolarHBondContact O-N 3.09Å; Q715-K717 PolarHBondContact O-N 2.92Å; Q715-G718 PolarHBondContact O-N 2.91Å; Q715-E750 PolarHBondContact NE2-OE2 2.75Å
716A60.7Low65Low78 Ų78106.2 Ų106.265%0.64552%0.519SS*.Hα-helixtrans-67.1-32179.300000113.8R712 T713 G718R712-A716 WeakPolarHBondContact O-CB 3.28Å; R712-A716 PolarHBondContact O-N 3.46Å; T713-A716 PolarHBondContact O-N 3.22Å; A716-G718 VanDerWaalsContact C-N 3.29Å; A716-G718 PolarHBondContact O-N 3.43Å
717K54.4Low63.4Low78 Ų78112.8 Ų112.834%0.33955%0.548SS..Hα-helixtrans-76.9-8.5-180-79.4179.3-178.1173.50114.5T713 H714 Q715 R719T713-K717 HydrophobicContact CG2-CD 4.29Å; T713-K717 WeakPolarHBondContact O-CB 3.39Å; T713-K717 WeakPolarHBondContact O-CG 3.44Å; T713-K717 PolarHBondContact O-N 2.9Å; H714-K717 PolarHBondContact O-N 3.4Å; Q715-K717 PolarHBondContact O-N 2.92Å; K717-R719 PolarHBondContact O-N 3.08Å
718G49.6Very low62.3Low70 Ų70115.6 Ų115.672%0.72257%0.565SS**THydrogen-bonded Turntrans-57.5-9.4170.900000114.5Q715 A716Q715-G718 PolarHBondContact O-N 2.91Å; A716-G718 VanDerWaalsContact C-N 3.29Å; A716-G718 PolarHBondContact O-N 3.43Å
719R47.9Very low61.8Low235 Ų235121.3 Ų121.389%0.88760%0.595SS**SBendtrans-111.1-26.4179.1-78.1180172.4174.1-1.1117.6K717K717-R719 PolarHBondContact O-N 3.08Å
720K45.6Very low61.6Low187 Ų187118.6 Ų118.681%0.81358%0.579SS**SBendtrans-156.6129.7173.9-71.3-168.9179.91700114.9
721R47.6Very low61.7Low237 Ų237121.6 Ų121.689%0.89459%0.589SS**  trans63.4122.4160.5-96.9179169.7166.6-3.2120.1R723R721-R723 PolarHBondContact O-N 3.16Å
722K44.7Very low61.7Low222 Ų222129.5 Ų129.597%0.96563%0.626SS**  trans-60.1105.8161.1-77.6-179.1175.2178.90110.3
723R45.5Very low62Low216 Ų216123.2 Ų123.282%0.81560%0.604SS**  trans-115.1137.1162.1-143.8178.3-171.2-179.61.3106.9R721 E725R721-R723 PolarHBondContact O-N 3.16Å; R723-E725 PolarHBondContact O-N 2.79Å
724A46.2Very low62.6Low98 Ų98122.5 Ų122.581%0.8160%0.599SS**  trans-45.2129.1-178.500000110.9
725E50.7Low63.7Low141 Ų141120.4 Ų120.466%0.65959%0.59SS**  trans-60.1131.2179.2-73.6172.8176.600109.2H714 R723 K727H714-E725 IonicContact CE1-OE1 2.97Å; H714-E725 PolarHBondContact CE1-OE1 3.02Å; R723-E725 PolarHBondContact O-N 2.79Å; E725-K727 PolarHBondContact O-N 3.4Å
726P49.8Very low65.1Low97 Ų97116.8 Ų116.863%0.6357%0.573SS**  trans-59.3129.1168.124.8-29.2000107.6V728P726-V728 VanDerWaalsContact C-N 3.26Å; P726-V728 PolarHBondContact O-N 3.11Å
727K58.5Low66.7Low214 Ų214113.5 Ų113.593%0.9354%0.544SS*.  trans-63.990.7171.9-111-178.9175.1-178.40107.7E725 N729E725-K727 PolarHBondContact O-N 3.4Å; K727-N729 PolarHBondContact O-N 3.29Å
728V68.1Low68.6Low62 Ų62110 Ų11038%0.37653%0.529SS..  trans-74.9120.2170.5-177.10000106.7K706 P726 Y730K706-V728 HydrophobicContact CD-CG1 4.44Å; P726-V728 VanDerWaalsContact C-N 3.26Å; P726-V728 PolarHBondContact O-N 3.11Å; V728-Y730 HydrophobicContact CB-CE2 4.1Å; V728-Y730 HydrophobicContact CG1-CD1 4.2Å; V728-Y730 HydrophobicContact CG1-CE1 3.72Å; V728-Y730 HydrophobicContact CG1-CE2 4.13Å; V728-Y730 PolarHBondContact O-N 3.22Å
729N79.2Confident70.8Confident141 Ų141107 Ų10775%0.75450%0.497SS*.  trans-87107.2175.5-166.517000108.6K727K727-N729 PolarHBondContact O-N 3.29Å
730Y84.4Confident73.2Confident43 Ų4395.9 Ų95.917%0.16946%0.455CS..PPolyproline II helixtrans-85140.5174.9-62.6-70.9000109.7K706 W707 V728 T762K706-Y730 HydrophobicContact CB-CE1 4.31Å; W707-Y730 HydrophobicContact CD2-CD1 4.41Å; W707-Y730 AromaticContact CD2-CE1 3.71Å; W707-Y730 HydrophobicContact CD2-CE1 3.71Å; W707-Y730 AromaticContact CE2-CD1 3.57Å; W707-Y730 AromaticContact CE2-CE1 3.31Å; W707-Y730 AromaticContact CE2-CZ 3.83Å; W707-Y730 HydrophobicContact CE3-CE1 4.16Å; W707-Y730 HydrophobicContact CG-CE1 4.26Å; W707-Y730 HydrophobicContact CH2-CD1 4.35Å; W707-Y730 HydrophobicContact CH2-CD2 4.13Å; W707-Y730 AromaticContact CH2-CE1 3.9Å; W707-Y730 HydrophobicContact CH2-CE1 3.9Å; W707-Y730 AromaticContact CH2-CE2 3.66Å; W707-Y730 HydrophobicContact CH2-CE2 3.66Å; W707-Y730 HydrophobicContact CH2-CG 4.45Å; W707-Y730 AromaticContact CH2-CZ 3.52Å; W707-Y730 AromaticContact CZ2-CD1 3.55Å; W707-Y730 HydrophobicContact CZ2-CD1 3.55Å; W707-Y730 AromaticContact CZ2-CD2 3.92Å; W707-Y730 HydrophobicContact CZ2-CD2 3.92Å; W707-Y730 AromaticContact CZ2-CE1 3.43Å; W707-Y730 HydrophobicContact CZ2-CE1 3.43Å; W707-Y730 VanDerWaalsContact CZ2-CE1 3.43Å; W707-Y730 AromaticContact CZ2-CE2 3.82Å; W707-Y730 HydrophobicContact CZ2-CE2 3.82Å; W707-Y730 AromaticContact CZ2-CG 3.79Å; W707-Y730 HydrophobicContact CZ2-CG 3.79Å; W707-Y730 AromaticContact CZ2-CZ 3.56Å; W707-Y730 HydrophobicContact CZ3-CE1 4.25Å; W707-Y730 HydrophobicContact CZ3-CE2 4.28Å; W707-Y730 AromaticContact CZ3-CZ 3.79Å; W707-Y730 AromaticContact NE1-CD1 3.6Å; W707-Y730 AromaticContact NE1-CE1 3.63Å; V728-Y730 HydrophobicContact CB-CE2 4.1Å; V728-Y730 HydrophobicContact CG1-CD1 4.2Å; V728-Y730 HydrophobicContact CG1-CE1 3.72Å; V728-Y730 HydrophobicContact CG1-CE2 4.13Å; V728-Y730 PolarHBondContact O-N 3.22Å; Y730-T762 HydrophobicContact CD2-CG2 4.05Å; Y730-T762 HydrophobicContact CG-CG2 4.2Å
731K85.4Confident75.7Confident83 Ų8387 Ų8736%0.36142%0.416SS..PPolyproline II helixtrans-76.4145.6178.6-166.7179.3174.8178.90110.1E699 E703 L733 Y763E699-K731 IonicContact OE1-NZ 2.62Å; E699-K731 PolarHBondContact OE1-NZ 3.43Å; E699-K731 IonicContact OE2-NZ 3.51Å; E699-K731 PolarHBondContact OE2-NZ 3.39Å; E703-K731 HydrophobicContact CG-CB 4.29Å; E703-K731 PolarHBondContact OE2-N 2.82Å; K731-L733 HydrophobicContact CB-CD2 4.39Å; K731-L733 HydrophobicContact CD-CD2 4.41Å; K731-L733 PolarHBondContact O-N 2.73Å; K731-Y763 WeakPolarHBondContact O-CE1 3.5Å
732E85.2Confident78Confident167 Ų16775.8 Ų75.878%0.7837%0.374SS*.PPolyproline II helixtrans-72.5123.4165.1-169.6173.7-16900109
733L90.1Very high80.4Confident16 Ų1665.8 Ų65.88%0.08433%0.331CS..  trans-109.4147.6-175.5-64.5179.2000110.3E703 K731 Q737 L738 L741 Y763E703-L733 HydrophobicContact CG-CD2 4.42Å; K731-L733 HydrophobicContact CB-CD2 4.39Å; K731-L733 HydrophobicContact CD-CD2 4.41Å; K731-L733 PolarHBondContact O-N 2.73Å; L733-Q737 HydrophobicContact CB-CB 3.9Å; L733-Q737 HydrophobicContact CD2-CB 4.17Å; L733-Q737 HydrophobicContact CG-CB 4.43Å; L733-L738 HydrophobicContact CB-CD2 3.84Å; L733-L738 HydrophobicContact CB-CG 3.88Å; L733-L738 HydrophobicContact CD1-CD2 4.07Å; L733-L741 HydrophobicContact CD1-CB 4.3Å; L733-L741 HydrophobicContact CD1-CD2 3.73Å; L733-Y763 HydrophobicContact CD1-CE1 4.43Å; L733-Y763 HydrophobicContact CG-CE1 4.45Å
734T90.1Very high82.8Confident50 Ų5056.4 Ų56.431%0.30730%0.297SS..  trans-69.2165.617056.40000111.3E736 Q737 L738T734-E736 PolarHBondContact O-N 2.56Å; T734-Q737 PolarHBondContact O-N 2.99Å; T734-Q737 VanDerWaalsContact O-N 3.16Å; T734-Q737 WeakPolarHBondContact OG1-CB 3.06Å; T734-Q737 VanDerWaalsContact OG1-CG 3.22Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.4Å; T734-Q737 PolarHBondContact OG1-N 3.09Å; T734-Q737 PolarHBondContact OG1-OE1 3.38Å; T734-L738 WeakPolarHBondContact O-CG 3.42Å; T734-L738 PolarHBondContact O-N 3.03Å
735T90Very high85.2Confident5 Ų551.9 Ų51.93%0.03126%0.259CS..Hα-helixtrans-53-50.5178.7-56.30000111.6Q737 L738 V739 D769 V772T735-Q737 VanDerWaalsContact C-N 3.34Å; T735-Q737 PolarHBondContact O-N 2.97Å; T735-L738 WeakPolarHBondContact O-CB 3.36Å; T735-L738 PolarHBondContact O-N 3.1Å; T735-L738 VanDerWaalsContact O-N 3.12Å; T735-V739 WeakPolarHBondContact O-CG2 3.21Å; T735-V739 PolarHBondContact O-N 3.37Å; T735-D769 HydrophobicContact CG2-CB 4.11Å; T735-V772 HydrophobicContact CG2-CG2 3.67Å
736E92.4Very high87.3Confident13 Ų1346.7 Ų46.76%0.06124%0.235CC..Hα-helixtrans-65.7-36.1179.7-65.885.9164.100112.5T494 L553 K554 L557 T734 L738 V739 M740T494-E736 WeakPolarHBondContact CG2-OE1 3.4Å; L553-E736 HydrophobicContact CD2-CB 3.68Å; L553-E736 HydrophobicContact CG-CB 4.21Å; K554-E736 WeakPolarHBondContact CE-OE1 3.46Å; K554-E736 HydrophobicContact CG-CG 4.1Å; K554-E736 IonicContact NZ-OE1 2.95Å; L557-E736 HydrophobicContact CD1-CB 4.13Å; T734-E736 PolarHBondContact O-N 2.56Å; E736-L738 VanDerWaalsContact C-N 3.33Å; E736-V739 PolarHBondContact O-N 3.41Å; E736-M740 WeakPolarHBondContact O-CB 3.19Å; E736-M740 PolarHBondContact O-N 2.87Å
737Q95.3Very high89.4Confident8 Ų847.6 Ų47.64%0.03723%0.231CC..Hα-helixtrans-67.9-33.7174-75.3-179.9-62.800112.1L553 L696 E699 V700 L733 T734 T735 L741L553-Q737 HydrophobicContact CD2-CG 3.63Å; L696-Q737 PolarHBondContact O-NE2 3.44Å; E699-Q737 PolarHBondContact OE2-NE2 3.38Å; V700-Q737 HydrophobicContact CG2-CB 3.57Å; V700-Q737 HydrophobicContact CG2-CG 3.67Å; L733-Q737 HydrophobicContact CB-CB 3.9Å; L733-Q737 HydrophobicContact CD2-CB 4.17Å; L733-Q737 HydrophobicContact CG-CB 4.43Å; T734-Q737 PolarHBondContact O-N 2.99Å; T734-Q737 VanDerWaalsContact O-N 3.16Å; T734-Q737 WeakPolarHBondContact OG1-CB 3.06Å; T734-Q737 VanDerWaalsContact OG1-CG 3.22Å; T734-Q737 WeakPolarHBondContact OG1-CG 3.4Å; T734-Q737 PolarHBondContact OG1-N 3.09Å; T734-Q737 PolarHBondContact OG1-OE1 3.38Å; T735-Q737 VanDerWaalsContact C-N 3.34Å; T735-Q737 PolarHBondContact O-N 2.97Å; Q737-L741 VanDerWaalsContact O-CB 3.28Å; Q737-L741 WeakPolarHBondContact O-CB 3.5Å; Q737-L741 PolarHBondContact O-N 3.49Å
738L95.3Very high91.1Very high4 Ų439.8 Ų39.82%0.02120%0.198CC..Hα-helixtrans-68.8-42.3173.2-72.6173.3000111.5L733 T734 T735 E736 L741 L742 Y763 V772L733-L738 HydrophobicContact CB-CD2 3.84Å; L733-L738 HydrophobicContact CB-CG 3.88Å; L733-L738 HydrophobicContact CD1-CD2 4.07Å; T734-L738 WeakPolarHBondContact O-CG 3.42Å; T734-L738 PolarHBondContact O-N 3.03Å; T735-L738 WeakPolarHBondContact O-CB 3.36Å; T735-L738 PolarHBondContact O-N 3.1Å; T735-L738 VanDerWaalsContact O-N 3.12Å; E736-L738 VanDerWaalsContact C-N 3.33Å; L738-L741 HydrophobicContact CD2-CD2 4.32Å; L738-L741 WeakPolarHBondContact O-CB 3.17Å; L738-L741 PolarHBondContact O-N 2.95Å; L738-L742 VanDerWaalsContact O-CG 3.29Å; L738-L742 WeakPolarHBondContact O-CG 3.08Å; L738-L742 PolarHBondContact O-N 3.27Å; L738-Y763 HydrophobicContact CD2-CD1 3.63Å; L738-Y763 HydrophobicContact CD2-CD2 3.87Å; L738-Y763 HydrophobicContact CD2-CE1 3.98Å; L738-Y763 HydrophobicContact CD2-CE2 4.19Å; L738-Y763 HydrophobicContact CD2-CG 3.56Å; L738-V772 HydrophobicContact CB-CG1 4.18Å; L738-V772 HydrophobicContact CB-CG2 3.98Å; L738-V772 HydrophobicContact CD1-CG1 4.47Å
739V95.8Very high92.1Very high9 Ų941.7 Ų41.76%0.05521%0.214CC..Hα-helixtrans-57.6-50.2173.4174.70000109.9L557 T735 E736 L741 L742 E743 E771 V772 R775L557-V739 HydrophobicContact CD1-CB 4.49Å; L557-V739 HydrophobicContact CD1-CG1 4.34Å; L557-V739 HydrophobicContact CD2-CG1 3.9Å; T735-V739 WeakPolarHBondContact O-CG2 3.21Å; T735-V739 PolarHBondContact O-N 3.37Å; E736-V739 PolarHBondContact O-N 3.41Å; V739-L741 VanDerWaalsContact C-N 3.35Å; V739-L741 PolarHBondContact O-N 3.33Å; V739-L742 PolarHBondContact O-N 2.98Å; V739-E743 WeakPolarHBondContact O-CB 3.18Å; V739-E743 PolarHBondContact O-N 3.41Å; V739-E771 HydrophobicContact CG2-CB 4.05Å; V739-V772 HydrophobicContact CG2-CG2 3.75Å; V739-R775 HydrophobicContact CG1-CG 3.98Å
740M97.1Very high92.4Very high1 Ų141 Ų411%0.00521%0.206CC..Hα-helixtrans-60.7-41.2176.8-177.161.970.900112.6L553 L556 L557 V700 E736 L742 E743 L744L553-M740 HydrophobicContact CD1-CB 4.14Å; L553-M740 HydrophobicContact CD1-CE 3.91Å; L553-M740 HydrophobicContact CD1-CG 4.25Å; L556-M740 HydrophobicContact CB-CE 4.22Å; L556-M740 HydrophobicContact CD2-CE 3.71Å; L556-M740 HydrophobicContact CG-CE 3.86Å; L557-M740 HydrophobicContact CD2-CB 4.14Å; L557-M740 HydrophobicContact CD2-CE 3.49Å; L557-M740 VanDerWaalsContact CD2-CE 3.49Å; L557-M740 HydrophobicContact CD2-SD 4.25Å; L557-M740 HydrophobicContact CG-CE 3.71Å; V700-M740 HydrophobicContact CB-CG 4.32Å; V700-M740 HydrophobicContact CG1-CB 4.12Å; V700-M740 HydrophobicContact CG1-CG 3.8Å; E736-M740 WeakPolarHBondContact O-CB 3.19Å; E736-M740 PolarHBondContact O-N 2.87Å; M740-L742 PolarHBondContact O-N 2.95Å; M740-E743 PolarHBondContact O-N 3.07Å; M740-L744 HydrophobicContact CG-CD1 4.14Å; M740-L744 WeakPolarHBondContact O-CG 3.46Å; M740-L744 PolarHBondContact O-N 3.49Å; M740-L744 HydrophobicContact SD-CD1 4.23Å; M740-L744 HydrophobicContact SD-CG 4.2Å
741L97.3Very high92.8Very high0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-59-48.7176.917266.2000110.8V700 E703 V704 L733 Q737 L738 V739 L745 L759 Y763V700-L741 HydrophobicContact CG1-CB 3.88Å; E703-L741 HydrophobicContact CB-CD1 4.4Å; V704-L741 HydrophobicContact CB-CD1 4.32Å; V704-L741 HydrophobicContact CG2-CD1 3.48Å; V704-L741 VanDerWaalsContact CG2-CD1 3.48Å; L733-L741 HydrophobicContact CD1-CB 4.3Å; L733-L741 HydrophobicContact CD1-CD2 3.73Å; Q737-L741 VanDerWaalsContact O-CB 3.28Å; Q737-L741 WeakPolarHBondContact O-CB 3.5Å; Q737-L741 PolarHBondContact O-N 3.49Å; L738-L741 HydrophobicContact CD2-CD2 4.32Å; L738-L741 WeakPolarHBondContact O-CB 3.17Å; L738-L741 PolarHBondContact O-N 2.95Å; V739-L741 VanDerWaalsContact C-N 3.35Å; V739-L741 PolarHBondContact O-N 3.33Å; L741-L745 HydrophobicContact CD1-CD1 4.06Å; L741-L745 HydrophobicContact CD1-CG 4.39Å; L741-L745 HydrophobicContact CG-CD1 4.09Å; L741-L745 WeakPolarHBondContact O-CB 3.15Å; L741-L745 VanDerWaalsContact O-CG 3.26Å; L741-L745 WeakPolarHBondContact O-CG 3.5Å; L741-L745 PolarHBondContact O-N 3.03Å; L741-L759 HydrophobicContact CD2-CD1 4.28Å; L741-Y763 HydrophobicContact CD2-CD2 4.25Å; L741-Y763 HydrophobicContact CD2-CE2 3.47Å; L741-Y763 VanDerWaalsContact CD2-CE2 3.47Å
742L97Very high93Very high1 Ų136.6 Ų36.61%0.00519%0.191CC..Hα-helixtrans-68.3-37.5-178.7-66.1173000111.5L738 V739 M740 L745 L746 L759 L765 V772 R775 W776 L779L738-L742 VanDerWaalsContact O-CG 3.29Å; L738-L742 WeakPolarHBondContact O-CG 3.08Å; L738-L742 PolarHBondContact O-N 3.27Å; V739-L742 PolarHBondContact O-N 2.98Å; M740-L742 PolarHBondContact O-N 2.95Å; L742-L745 PolarHBondContact O-N 3.27Å; L742-L746 WeakPolarHBondContact O-CG 3.19Å; L742-L746 PolarHBondContact O-N 3.18Å; L742-L759 HydrophobicContact CD2-CD2 3.82Å; L742-L765 HydrophobicContact CD1-CD2 4.28Å; L742-L765 HydrophobicContact CD2-CD1 4.27Å; L742-V772 HydrophobicContact CD1-CG1 3.89Å; L742-V772 WeakPolarHBondContact CD1-O 3.36Å; L742-R775 HydrophobicContact CB-CB 3.64Å; L742-R775 HydrophobicContact CB-CG 4.48Å; L742-R775 HydrophobicContact CD1-CB 3.76Å; L742-R775 HydrophobicContact CG-CB 4.36Å; L742-W776 HydrophobicContact CD1-CB 4.35Å; L742-L779 HydrophobicContact CD2-CD2 4.15Å
743E95.6Very high93.2Very high12 Ų1232.3 Ų32.36%0.05618%0.176CC..Hα-helixtrans-65.1-40.7176.7-161.7170.2128.800112.4R560 V739 M740 L746 E747 R775R560-E743 WeakPolarHBondContact CB-OE1 3.35Å; R560-E743 WeakPolarHBondContact CD-OE1 3.25Å; R560-E743 IonicContact CZ-OE1 2.8Å; R560-E743 IonicContact NE-OE1 3.57Å; R560-E743 PolarHBondContact NE-OE1 3.1Å; R560-E743 IonicContact NH2-OE1 2.79Å; R560-E743 PolarHBondContact NH2-OE1 2.73Å; V739-E743 WeakPolarHBondContact O-CB 3.18Å; V739-E743 PolarHBondContact O-N 3.41Å; M740-E743 PolarHBondContact O-N 3.07Å; E743-L746 WeakPolarHBondContact O-CB 3.45Å; E743-L746 PolarHBondContact O-N 2.68Å; E743-E747 PolarHBondContact O-N 2.68Å; E743-R775 IonicContact OE2-CZ 3.98Å; E743-R775 IonicContact OE2-NE 3.26Å; E743-R775 PolarHBondContact OE2-NE 2.64Å; E743-R775 IonicContact OE2-NH2 3.83Å; E743-R775 PolarHBondContact OE2-NH2 2.75Å
744L96.3Very high93.2Very high20 Ų2034 Ų3411%0.10519%0.189CC..Hα-helixtrans-69.5-33.8173.5-68.5173.5000112.3V700 K701 V704 M740 L746 E747V700-L744 HydrophobicContact CG1-CD1 4.17Å; K701-L744 HydrophobicContact CG-CD1 4.12Å; V704-L744 HydrophobicContact CG1-CB 4.35Å; V704-L744 HydrophobicContact CG2-CB 3.73Å; V704-L744 HydrophobicContact CG2-CD1 3.83Å; V704-L744 HydrophobicContact CG2-CG 4.45Å; M740-L744 HydrophobicContact CG-CD1 4.14Å; M740-L744 WeakPolarHBondContact O-CG 3.46Å; M740-L744 PolarHBondContact O-N 3.49Å; M740-L744 HydrophobicContact SD-CD1 4.23Å; M740-L744 HydrophobicContact SD-CG 4.2Å; L744-L746 VanDerWaalsContact C-N 3.3Å; L744-E747 WeakPolarHBondContact O-CB 3.26Å; L744-E747 PolarHBondContact O-N 2.77Å
745L96.3Very high93.2Very high2 Ų231.9 Ų31.91%0.0118%0.176CC..Hα-helixtrans-70.1-29173.4-72.6173.7000112.2V704 W707 I708 L741 L742 E747 E748 L751 L759 L779V704-L745 HydrophobicContact CG1-CD2 4.18Å; W707-L745 HydrophobicContact CB-CD2 4.1Å; I708-L745 HydrophobicContact CG1-CD2 4.4Å; L741-L745 HydrophobicContact CD1-CD1 4.06Å; L741-L745 HydrophobicContact CD1-CG 4.39Å; L741-L745 HydrophobicContact CG-CD1 4.09Å; L741-L745 WeakPolarHBondContact O-CB 3.15Å; L741-L745 VanDerWaalsContact O-CG 3.26Å; L741-L745 WeakPolarHBondContact O-CG 3.5Å; L741-L745 PolarHBondContact O-N 3.03Å; L742-L745 PolarHBondContact O-N 3.27Å; L745-E747 PolarHBondContact O-N 2.84Å; L745-E748 WeakPolarHBondContact O-CB 3.12Å; L745-E748 PolarHBondContact O-N 2.89Å; L745-E748 VanDerWaalsContact O-N 3.17Å; L745-L751 HydrophobicContact CB-CD1 4.23Å; L745-L751 HydrophobicContact CD2-CD1 4.48Å; L745-L751 HydrophobicContact CD2-CD2 4.32Å; L745-L759 HydrophobicContact CD1-CD1 4.23Å; L745-L759 HydrophobicContact CD1-CD2 3.89Å; L745-L779 HydrophobicContact CB-CD1 4.32Å; L745-L779 HydrophobicContact CB-CD2 4.49Å
746L94.8Very high93.3Very high32 Ų3231.8 Ų31.817%0.16818%0.175CC..THydrogen-bonded Turntrans-67-14.8171.1-82.4168.1000112.8L742 E743 L744 E778 L779 K782L742-L746 WeakPolarHBondContact O-CG 3.19Å; L742-L746 PolarHBondContact O-N 3.18Å; E743-L746 WeakPolarHBondContact O-CB 3.45Å; E743-L746 PolarHBondContact O-N 2.68Å; L744-L746 VanDerWaalsContact C-N 3.3Å; L746-E778 HydrophobicContact CD1-CB 3.9Å; L746-E778 HydrophobicContact CD2-CB 4Å; L746-L779 HydrophobicContact CD2-CB 4.11Å; L746-L779 HydrophobicContact CD2-CD1 3.75Å; L746-L779 HydrophobicContact CG-CB 4.47Å; L746-L779 HydrophobicContact CG-CD1 3.92Å; L746-K782 HydrophobicContact CD2-CB 4.28Å; L746-K782 HydrophobicContact CD2-CD 4Å; L746-K782 PolarHBondContact O-NZ 3.29Å
747E94Very high93.4Very high116 Ų11636.9 Ų36.954%0.54219%0.194SC..THydrogen-bonded Turntrans-79.3-22.7172.1-63.5175.1-174.700111.9R560 E743 L744 L745R560-E747 IonicContact CZ-OE1 3.85Å; R560-E747 VanDerWaalsContact CZ-OE1 3.25Å; R560-E747 IonicContact NH1-OE1 3.73Å; R560-E747 PolarHBondContact NH1-OE1 2.77Å; R560-E747 IonicContact NH2-OE1 3.45Å; R560-E747 PolarHBondContact NH2-OE1 3.2Å; E743-E747 PolarHBondContact O-N 2.68Å; L744-E747 WeakPolarHBondContact O-CB 3.26Å; L744-E747 PolarHBondContact O-N 2.77Å; L745-E747 PolarHBondContact O-N 2.84Å
748E93.8Very high93.2Very high50 Ų5038.2 Ų38.223%0.23421%0.206CC..SBendtrans-72140.3-178.3-66.2-70.4132.800111.6I708 R712 L745 L751 K782I708-E748 VanDerWaalsContact CD1-CD 3.45Å; I708-E748 HydrophobicContact CD1-CG 3.89Å; I708-E748 VanDerWaalsContact CD1-OE1 3.28Å; I708-E748 WeakPolarHBondContact CD1-OE1 3.25Å; I708-E748 HydrophobicContact CG1-CG 3.98Å; R712-E748 IonicContact NH2-OE2 3.91Å; L745-E748 WeakPolarHBondContact O-CB 3.12Å; L745-E748 PolarHBondContact O-N 2.89Å; L745-E748 VanDerWaalsContact O-N 3.17Å; E748-L751 HydrophobicContact CB-CD2 4.45Å; E748-K782 PolarHBondContact O-NZ 2.99Å
749S88.3Confident93Very high102 Ų10238.1 Ų38.171%0.71321%0.206SC*.SBendtrans-71-36.4-178.959.20000112.7
750E87.1Confident92.9Very high127 Ų12739.2 Ų39.259%0.59321%0.21SC*.  trans-141.4130.4-176.7-66.7-175.3-174.900112.8Q715Q715-E750 PolarHBondContact NE2-OE2 2.75Å
751L91.8Very high92.6Very high22 Ų2247.6 Ų47.612%0.11525%0.246CC..  trans-119.7137.2167.9-66.4178.5000110.8L745 E748 M756 L779L745-L751 HydrophobicContact CB-CD1 4.23Å; L745-L751 HydrophobicContact CD2-CD1 4.48Å; L745-L751 HydrophobicContact CD2-CD2 4.32Å; E748-L751 HydrophobicContact CB-CD2 4.45Å; L751-M756 HydrophobicContact CB-CG 4.25Å; L751-M756 HydrophobicContact CB-SD 4.13Å; L751-M756 HydrophobicContact CD1-SD 3.92Å; L751-L779 HydrophobicContact CD1-CD1 3.82Å; L751-L779 HydrophobicContact CD1-CD2 4.05Å; L751-L779 HydrophobicContact CD1-CG 4.23Å
752S89.9Confident92.3Very high12 Ų1250.7 Ų50.78%0.08427%0.265CS..  trans-71.4143.3179.488.10000111.1S711 S754 S755 M756S711-S752 PolarHBondContact OG-N 3Å; S752-S754 PolarHBondContact O-N 2.99Å; S752-S754 VanDerWaalsContact O-N 3.11Å; S752-S755 WeakPolarHBondContact O-CA 3.33Å; S752-S755 WeakPolarHBondContact O-CB 2.98Å; S752-S755 PolarHBondContact O-N 2.87Å; S752-S755 WeakPolarHBondContact OG-CB 3.19Å; S752-S755 PolarHBondContact OG-N 3.44Å; S752-S755 VanDerWaalsContact OG-N 3.11Å; S752-S755 PolarHBondContact OG-OG 3.26Å; S752-M756 PolarHBondContact O-N 3.08Å
753V90.1Very high92Very high77 Ų7751.4 Ų51.447%0.46727%0.268SS..Hα-helixtrans-52.1-35.7174.5179.40000112.2R757 Y785V753-R757 WeakPolarHBondContact O-CB 3.41Å; V753-R757 PolarHBondContact O-N 2.83Å; V753-Y785 HydrophobicContact CG1-CD2 4.17Å; V753-Y785 HydrophobicContact CG1-CE2 3.74Å
754S88.3Confident91.7Very high52 Ų5252.9 Ų52.936%0.36428%0.277SS..Hα-helixtrans-68.9-38.9177.4-62.40000112S752 A758S752-S754 PolarHBondContact O-N 2.99Å; S752-S754 VanDerWaalsContact O-N 3.11Å; S754-A758 WeakPolarHBondContact O-CB 3.34Å; S754-A758 PolarHBondContact O-N 3.33Å
755S90.6Very high91.4Very high5 Ų552 Ų524%0.03527%0.272CS..Hα-helixtrans-67.4-44.7175.3-61.40000111.5S711 S752 R757 A758 L759S711-S755 WeakPolarHBondContact CA-OG 3.36Å; S711-S755 WeakPolarHBondContact CB-OG 3.35Å; S711-S755 PolarHBondContact N-OG 3.01Å; S752-S755 WeakPolarHBondContact O-CA 3.33Å; S752-S755 WeakPolarHBondContact O-CB 2.98Å; S752-S755 PolarHBondContact O-N 2.87Å; S752-S755 WeakPolarHBondContact OG-CB 3.19Å; S752-S755 PolarHBondContact OG-N 3.44Å; S752-S755 VanDerWaalsContact OG-N 3.11Å; S752-S755 PolarHBondContact OG-OG 3.26Å; S755-R757 VanDerWaalsContact C-N 3.34Å; S755-R757 PolarHBondContact O-N 3.01Å; S755-A758 PolarHBondContact O-N 3.41Å; S755-L759 VanDerWaalsContact O-CB 3.28Å; S755-L759 WeakPolarHBondContact O-CB 3.5Å; S755-L759 PolarHBondContact O-N 3.31Å
756M93.1Very high91Very high2 Ų255.7 Ų55.71%0.0129%0.289CS..Hα-helixtrans-56.8-47175.2-69.4-64.7-78.200111.4L751 S752 A758 L759 H760 W776 L779 V780 Y785L751-M756 HydrophobicContact CB-CG 4.25Å; L751-M756 HydrophobicContact CB-SD 4.13Å; L751-M756 HydrophobicContact CD1-SD 3.92Å; S752-M756 PolarHBondContact O-N 3.08Å; M756-A758 PolarHBondContact O-N 3.06Å; M756-L759 PolarHBondContact O-N 2.87Å; M756-H760 WeakPolarHBondContact O-CB 3.31Å; M756-H760 PolarHBondContact O-N 3.35Å; M756-W776 HydrophobicContact CB-CH2 4.44Å; M756-W776 HydrophobicContact CE-CE3 4.42Å; M756-W776 HydrophobicContact CE-CH2 3.77Å; M756-W776 HydrophobicContact CE-CZ3 3.51Å; M756-W776 HydrophobicContact SD-CZ3 4.13Å; M756-L779 HydrophobicContact CE-CB 4.27Å; M756-L779 HydrophobicContact CE-CD2 3.9Å; M756-L779 HydrophobicContact CE-CG 3.71Å; M756-L779 HydrophobicContact SD-CD2 3.7Å; M756-L779 HydrophobicContact SD-CG 3.93Å; M756-V780 HydrophobicContact CE-CG2 4.47Å; M756-Y785 HydrophobicContact CB-CD1 4.17Å; M756-Y785 HydrophobicContact CB-CD2 4.33Å; M756-Y785 HydrophobicContact CB-CE1 4.22Å; M756-Y785 HydrophobicContact CB-CE2 4.38Å; M756-Y785 HydrophobicContact CB-CG 4.24Å; M756-Y785 HydrophobicContact CE-CD1 4.3Å; M756-Y785 HydrophobicContact CE-CG 4.47Å
757R93.1Very high90.6Very high121 Ų12157.8 Ų57.846%0.45730%0.297SS..Hα-helixtrans-62-43.8175.4-174.2-173.8-62.1143.5-1.2112.7V753 S755 K761V753-R757 WeakPolarHBondContact O-CB 3.41Å; V753-R757 PolarHBondContact O-N 2.83Å; S755-R757 VanDerWaalsContact C-N 3.34Å; S755-R757 PolarHBondContact O-N 3.01Å; R757-K761 WeakPolarHBondContact O-CB 3.35Å; R757-K761 PolarHBondContact O-N 3.38Å; R757-K761 VanDerWaalsContact O-N 3.09Å
758A91.3Very high90.3Very high35 Ų3552.8 Ų52.829%0.28927%0.273SS..Hα-helixtrans-66.7-39.9179.400000111.6W707 S754 S755 M756 K761 T762W707-A758 HydrophobicContact CH2-CB 4.12Å; W707-A758 HydrophobicContact CZ3-CB 3.82Å; S754-A758 WeakPolarHBondContact O-CB 3.34Å; S754-A758 PolarHBondContact O-N 3.33Å; S755-A758 PolarHBondContact O-N 3.41Å; M756-A758 PolarHBondContact O-N 3.06Å; A758-K761 PolarHBondContact O-N 2.99Å; A758-T762 VanDerWaalsContact O-CB 3.24Å; A758-T762 WeakPolarHBondContact O-CB 3.48Å; A758-T762 PolarHBondContact O-N 2.92Å; A758-T762 PolarHBondContact O-OG1 3.04Å
759L92.6Very high90.1Very high3 Ų350.6 Ų50.62%0.01626%0.264CS..Hα-helixtrans-61.6-52.1175.8-174.872.4000110.6W707 L741 L742 L745 S755 M756 K761 T762 Y763 L765 W776 L779W707-L759 HydrophobicContact CD2-CD1 3.89Å; W707-L759 HydrophobicContact CE3-CB 4.4Å; W707-L759 HydrophobicContact CE3-CD1 4.32Å; W707-L759 HydrophobicContact CG-CD1 4.41Å; W707-L759 HydrophobicContact CH2-CB 4.14Å; W707-L759 HydrophobicContact CH2-CD1 4.21Å; W707-L759 HydrophobicContact CZ2-CD1 3.75Å; W707-L759 HydrophobicContact CZ3-CB 4.07Å; W707-L759 HydrophobicContact CZ3-CD1 4.47Å; L741-L759 HydrophobicContact CD2-CD1 4.28Å; L742-L759 HydrophobicContact CD2-CD2 3.82Å; L745-L759 HydrophobicContact CD1-CD1 4.23Å; L745-L759 HydrophobicContact CD1-CD2 3.89Å; S755-L759 VanDerWaalsContact O-CB 3.28Å; S755-L759 WeakPolarHBondContact O-CB 3.5Å; S755-L759 PolarHBondContact O-N 3.31Å; M756-L759 PolarHBondContact O-N 2.87Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 3.45Å; L759-T762 PolarHBondContact O-N 3.34Å; L759-Y763 HydrophobicContact CD1-CD2 3.68Å; L759-Y763 HydrophobicContact CD1-CE2 3.57Å; L759-Y763 HydrophobicContact CG-CD2 4.4Å; L759-Y763 PolarHBondContact O-N 3.27Å; L759-L765 HydrophobicContact CD2-CD1 4.47Å; L759-L765 HydrophobicContact CG-CD1 4.23Å; L759-W776 HydrophobicContact CD2-CZ3 4.24Å; L759-L779 HydrophobicContact CD2-CD2 3.85Å
760H92.3Very high90.2Very high32 Ų3245.8 Ų45.815%0.14823%0.23CC..Hα-helixtrans-52.7-47.9177-177-130.6000111.8M756 N764 L765 Q766 W776 D791M756-H760 WeakPolarHBondContact O-CB 3.31Å; M756-H760 PolarHBondContact O-N 3.35Å; H760-N764 VanDerWaalsContact O-CA 3.22Å; H760-N764 WeakPolarHBondContact O-CA 3.24Å; H760-N764 PolarHBondContact O-N 3.29Å; H760-L765 PolarHBondContact O-N 3.04Å; H760-Q766 PolarHBondContact CE1-OE1 3.14Å; H760-W776 HydrophobicContact CB-CH2 3.83Å; H760-W776 HydrophobicContact CB-CZ2 3.76Å; H760-W776 AromaticContact CD2-CE2 3.87Å; H760-W776 AromaticContact CD2-CZ2 3.89Å; H760-W776 AromaticContact CD2-NE1 3.88Å; H760-W776 AromaticContact CG-CZ2 3.83Å; H760-D791 IonicContact CE1-OD2 3.33Å; H760-D791 IonicContact NE2-OD2 2.64Å
761K91.2Very high90.5Very high176 Ų17642.3 Ų42.377%0.76521%0.214SC*.Hα-helixtrans-70.7-39.6-179.6-175.2177.7178.8179.60113.4R757 A758 L759R757-K761 WeakPolarHBondContact O-CB 3.35Å; R757-K761 PolarHBondContact O-N 3.38Å; R757-K761 VanDerWaalsContact O-N 3.09Å; A758-K761 PolarHBondContact O-N 2.99Å; L759-K761 VanDerWaalsContact C-N 3.3Å; L759-K761 PolarHBondContact O-N 3.45Å
762T90.9Very high90.6Very high65 Ų6541.3 Ų41.340%0.39921%0.208SC..Hα-helixtrans-65.7-43.4-174.4-61.60000111W707 Y730 A758 L759W707-T762 HydrophobicContact CZ2-CG2 4.3Å; Y730-T762 HydrophobicContact CD2-CG2 4.05Å; Y730-T762 HydrophobicContact CG-CG2 4.2Å; A758-T762 VanDerWaalsContact O-CB 3.24Å; A758-T762 WeakPolarHBondContact O-CB 3.48Å; A758-T762 PolarHBondContact O-N 2.92Å; A758-T762 PolarHBondContact O-OG1 3.04Å; L759-T762 PolarHBondContact O-N 3.34Å
763Y90.2Very high90.8Very high16 Ų1641.1 Ų41.16%0.06321%0.206CC..Hα-helixtrans-102.4-1.2-177.6-58.5-57.6000113.7W707 K731 L733 L738 L741 L759 L765 Q768W707-Y763 AromaticContact CZ2-CE2 3.9Å; W707-Y763 HydrophobicContact CZ2-CE2 3.9Å; W707-Y763 AromaticContact NE1-CE2 3.86Å; K731-Y763 WeakPolarHBondContact O-CE1 3.5Å; L733-Y763 HydrophobicContact CD1-CE1 4.43Å; L733-Y763 HydrophobicContact CG-CE1 4.45Å; L738-Y763 HydrophobicContact CD2-CD1 3.63Å; L738-Y763 HydrophobicContact CD2-CD2 3.87Å; L738-Y763 HydrophobicContact CD2-CE1 3.98Å; L738-Y763 HydrophobicContact CD2-CE2 4.19Å; L738-Y763 HydrophobicContact CD2-CG 3.56Å; L741-Y763 HydrophobicContact CD2-CD2 4.25Å; L741-Y763 HydrophobicContact CD2-CE2 3.47Å; L741-Y763 VanDerWaalsContact CD2-CE2 3.47Å; L759-Y763 HydrophobicContact CD1-CD2 3.68Å; L759-Y763 HydrophobicContact CD1-CE2 3.57Å; L759-Y763 HydrophobicContact CG-CD2 4.4Å; L759-Y763 PolarHBondContact O-N 3.27Å; Y763-L765 VanDerWaalsContact C-N 3.32Å; Y763-L765 PolarHBondContact O-N 3.08Å; Y763-Q768 PolarHBondContact O-NE2 3.26Å
764N89.3Confident91Very high44 Ų4438.3 Ų38.324%0.23519%0.188CC..THydrogen-bonded Turntrans50.850.6-179-170.533.1000111.7H760 Q766 K767H760-N764 VanDerWaalsContact O-CA 3.22Å; H760-N764 WeakPolarHBondContact O-CA 3.24Å; H760-N764 PolarHBondContact O-N 3.29Å; N764-Q766 VanDerWaalsContact C-N 3.26Å; N764-Q766 PolarHBondContact O-N 2.76Å; N764-Q766 PolarHBondContact OD1-NE2 3.44Å; N764-K767 WeakPolarHBondContact ND2-CD 3.22Å; N764-K767 WeakPolarHBondContact ND2-CG 3.45Å; N764-K767 PolarHBondContact O-N 2.89Å
765L90.7Very high91.4Very high0 Ų037.1 Ų37.10%018%0.175CC..G310 helixtrans-58.9-35.7-165-56.8169.2000112.8L742 L759 H760 Y763 K767 Q768 V772 R773 W776L742-L765 HydrophobicContact CD1-CD2 4.28Å; L742-L765 HydrophobicContact CD2-CD1 4.27Å; L759-L765 HydrophobicContact CD2-CD1 4.47Å; L759-L765 HydrophobicContact CG-CD1 4.23Å; H760-L765 PolarHBondContact O-N 3.04Å; Y763-L765 VanDerWaalsContact C-N 3.32Å; Y763-L765 PolarHBondContact O-N 3.08Å; L765-K767 PolarHBondContact O-N 3.26Å; L765-Q768 WeakPolarHBondContact O-CB 3.48Å; L765-Q768 PolarHBondContact O-N 2.86Å; L765-V772 HydrophobicContact CD2-CG1 3.76Å; L765-R773 WeakPolarHBondContact O-CG 3.13Å; L765-W776 HydrophobicContact CB-CB 4.18Å; L765-W776 HydrophobicContact CB-CD2 4.29Å; L765-W776 HydrophobicContact CB-CG 3.93Å; L765-W776 HydrophobicContact CD1-CB 4.09Å; L765-W776 HydrophobicContact CD1-CD2 3.48Å; L765-W776 VanDerWaalsContact CD1-CD2 3.48Å; L765-W776 HydrophobicContact CD1-CE3 3.31Å; L765-W776 HydrophobicContact CD1-CG 3.82Å; L765-W776 HydrophobicContact CD1-CZ3 3.94Å
766Q87.8Confident91.7Very high81 Ų8137 Ų3738%0.37917%0.174SC..G310 helixtrans-52.8-24.5174.670.4-163-8.700114.7H760 N764 R773H760-Q766 PolarHBondContact CE1-OE1 3.14Å; N764-Q766 VanDerWaalsContact C-N 3.26Å; N764-Q766 PolarHBondContact O-N 2.76Å; N764-Q766 PolarHBondContact OD1-NE2 3.44Å; Q766-R773 WeakPolarHBondContact O-CD 3.45Å
767K85.6Confident91.9Very high76 Ų7637 Ų3733%0.3317%0.174SC..G310 helixtrans-1085-177.6-50.3-158.3-168172.80114E484 N764 L765E484-K767 HydrophobicContact CG-CB 4.42Å; E484-K767 HydrophobicContact CG-CD 3.76Å; E484-K767 WeakPolarHBondContact OE1-CD 3.47Å; E484-K767 WeakPolarHBondContact OE1-CE 3.37Å; E484-K767 IonicContact OE1-NZ 3.43Å; E484-K767 PolarHBondContact OE1-NZ 2.81Å; N764-K767 WeakPolarHBondContact ND2-CD 3.22Å; N764-K767 WeakPolarHBondContact ND2-CG 3.45Å; N764-K767 PolarHBondContact O-N 2.89Å; L765-K767 PolarHBondContact O-N 3.26Å
768Q88.7Confident92Very high10 Ų1032.5 Ų32.55%0.04716%0.158CC..SBendtrans-80.5174.9178.6-62.2-66.3-12.600111.4Y763 L765 V772 R773Y763-Q768 PolarHBondContact O-NE2 3.26Å; L765-Q768 WeakPolarHBondContact O-CB 3.48Å; L765-Q768 PolarHBondContact O-N 2.86Å; Q768-V772 HydrophobicContact CB-CB 3.73Å; Q768-V772 HydrophobicContact CB-CG1 3.67Å; Q768-V772 HydrophobicContact CB-CG2 4.38Å; Q768-V772 HydrophobicContact CG-CG1 3.97Å; Q768-R773 VanDerWaalsContact O-CD 3.22Å; Q768-R773 WeakPolarHBondContact O-CD 3.37Å; Q768-R773 PolarHBondContact O-NE 3.02Å
769D89.1Confident92.2Very high5 Ų530.8 Ų30.83%0.02714%0.144CC..  trans-58.5156.5174.9-65.6-9.3000111.3C482 R492 L495 T735 E771 V772 R773C482-D769 PolarHBondContact SG-OD1 3.18Å; R492-D769 VanDerWaalsContact O-OD1 3.09Å; L495-D769 HydrophobicContact CB-CB 4.08Å; L495-D769 HydrophobicContact CD2-CB 4.38Å; L495-D769 PolarHBondContact N-OD2 2.9Å; T735-D769 HydrophobicContact CG2-CB 4.11Å; D769-E771 PolarHBondContact O-N 2.99Å; D769-V772 PolarHBondContact O-N 3.15Å; D769-R773 PolarHBondContact O-N 3.27Å
770A91.6Very high92.4Very high1 Ų130.7 Ų30.71%0.00814%0.144CC..Hα-helixtrans-56.9-34-175.600000113.1S479 L495 V772 R773 H774 F795 M802S479-A770 WeakPolarHBondContact O-CB 3.44Å; L495-A770 HydrophobicContact CD2-CB 3.83Å; A770-V772 PolarHBondContact O-N 3.17Å; A770-R773 PolarHBondContact O-N 3.38Å; A770-H774 WeakPolarHBondContact O-CB 3.33Å; A770-H774 PolarHBondContact O-N 2.76Å; A770-F795 HydrophobicContact CB-CE2 4.37Å; A770-F795 WeakPolarHBondContact O-CE2 3.37Å; A770-M802 HydrophobicContact CB-CE 4.49Å; A770-M802 HydrophobicContact CB-SD 3.52Å; A770-M802 VanDerWaalsContact CB-SD 3.52Å
771E92.1Very high92.6Very high54 Ų5429.2 Ų29.225%0.25214%0.137SC..Hα-helixtrans-61.5-44.2175.2-68-174.2149.100113.2L495 V739 D769 H774 R775 M802L495-E771 HydrophobicContact CD1-CG 4.03Å; L495-E771 HydrophobicContact CD2-CG 4.38Å; V739-E771 HydrophobicContact CG2-CB 4.05Å; D769-E771 PolarHBondContact O-N 2.99Å; E771-H774 PolarHBondContact O-N 3Å; E771-R775 PolarHBondContact O-N 3.48Å; E771-M802 HydrophobicContact CB-CE 4.48Å; E771-M802 HydrophobicContact CG-CE 3.87Å
772V93.9Very high92.8Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-70-40.2177.9175.50000110.2T735 L738 V739 L742 L765 Q768 D769 A770 H774 R775 W776T735-V772 HydrophobicContact CG2-CG2 3.67Å; L738-V772 HydrophobicContact CB-CG1 4.18Å; L738-V772 HydrophobicContact CB-CG2 3.98Å; L738-V772 HydrophobicContact CD1-CG1 4.47Å; V739-V772 HydrophobicContact CG2-CG2 3.75Å; L742-V772 HydrophobicContact CD1-CG1 3.89Å; L742-V772 WeakPolarHBondContact CD1-O 3.36Å; L765-V772 HydrophobicContact CD2-CG1 3.76Å; Q768-V772 HydrophobicContact CB-CB 3.73Å; Q768-V772 HydrophobicContact CB-CG1 3.67Å; Q768-V772 HydrophobicContact CB-CG2 4.38Å; Q768-V772 HydrophobicContact CG-CG1 3.97Å; D769-V772 PolarHBondContact O-N 3.15Å; A770-V772 PolarHBondContact O-N 3.17Å; V772-H774 VanDerWaalsContact C-N 3.34Å; V772-R775 PolarHBondContact O-N 2.95Å; V772-W776 WeakPolarHBondContact O-CB 3.32Å; V772-W776 PolarHBondContact O-N 2.88Å
773R94.6Very high92.9Very high8 Ų822 Ų223%0.0310%0.101CC..Hα-helixtrans-64.7-38.3177.1-72.2-176.7-62.9109.2-6112L765 Q766 Q768 D769 A770 W776 C777 F795 D799L765-R773 WeakPolarHBondContact O-CG 3.13Å; Q766-R773 WeakPolarHBondContact O-CD 3.45Å; Q768-R773 VanDerWaalsContact O-CD 3.22Å; Q768-R773 WeakPolarHBondContact O-CD 3.37Å; Q768-R773 PolarHBondContact O-NE 3.02Å; D769-R773 PolarHBondContact O-N 3.27Å; A770-R773 PolarHBondContact O-N 3.38Å; R773-W776 WeakPolarHBondContact O-CB 3.4Å; R773-W776 PolarHBondContact O-N 3.43Å; R773-C777 PolarHBondContact O-N 2.77Å; R773-C777 PolarHBondContact O-SG 3.16Å; R773-F795 HydrophobicContact CB-CD2 3.86Å; R773-F795 HydrophobicContact CB-CE2 3.9Å; R773-F795 VanDerWaalsContact NH1-CD2 3.26Å; R773-D799 IonicContact CZ-OD1 3.76Å; R773-D799 IonicContact CZ-OD2 3.72Å; R773-D799 VanDerWaalsContact NH1-CG 3.34Å; R773-D799 IonicContact NH1-OD1 2.69Å; R773-D799 IonicContact NH1-OD2 3.49Å; R773-D799 PolarHBondContact NH1-OD2 2.58Å; R773-D799 VanDerWaalsContact NH2-CG 3.31Å; R773-D799 IonicContact NH2-OD1 3.66Å; R773-D799 PolarHBondContact NH2-OD1 3.04Å; R773-D799 IonicContact NH2-OD2 3.35Å; R773-D799 PolarHBondContact NH2-OD2 3.13Å
774H95.1Very high93.1Very high19 Ų1924.6 Ų24.69%0.08812%0.118CC..Hα-helixtrans-58.2-54174.2-174.8-80.2000110.8A770 E771 V772 W776 C777 E778 F795 M802A770-H774 WeakPolarHBondContact O-CB 3.33Å; A770-H774 PolarHBondContact O-N 2.76Å; E771-H774 PolarHBondContact O-N 3Å; V772-H774 VanDerWaalsContact C-N 3.34Å; H774-W776 VanDerWaalsContact C-N 3.25Å; H774-W776 PolarHBondContact O-N 3.01Å; H774-C777 WeakPolarHBondContact O-CB 3.24Å; H774-C777 PolarHBondContact O-N 2.68Å; H774-E778 IonicContact CE1-OE1 2.71Å; H774-E778 IonicContact CE1-OE2 3.01Å; H774-E778 PolarHBondContact CE1-OE2 3.33Å; H774-E778 IonicContact ND1-OE1 3.41Å; H774-E778 IonicContact ND1-OE2 3.28Å; H774-E778 PolarHBondContact ND1-OE2 2.73Å; H774-E778 PolarHBondContact O-N 2.77Å; H774-F795 HydrophobicContact CB-CE1 4.33Å; H774-F795 HydrophobicContact CB-CE2 4.1Å; H774-F795 HydrophobicContact CB-CZ 3.67Å; H774-F795 AromaticContact CD2-CE1 3.71Å; H774-F795 AromaticContact CD2-CZ 3.8Å; H774-M802 HydrophobicContact CB-CE 4.46Å; H774-M802 PolarHBondContact CD2-O 3.49Å; H774-M802 PolarHBondContact NE2-O 3.15Å
775R95.9Very high93.4Very high27 Ų2723.2 Ų23.210%0.10211%0.11CC..Hα-helixtrans-60.6-34.4177.6-65.4-44-161-177.12.9112.9V739 L742 E743 E771 V772 E778 L779V739-R775 HydrophobicContact CG1-CG 3.98Å; L742-R775 HydrophobicContact CB-CB 3.64Å; L742-R775 HydrophobicContact CB-CG 4.48Å; L742-R775 HydrophobicContact CD1-CB 3.76Å; L742-R775 HydrophobicContact CG-CB 4.36Å; E743-R775 IonicContact OE2-CZ 3.98Å; E743-R775 IonicContact OE2-NE 3.26Å; E743-R775 PolarHBondContact OE2-NE 2.64Å; E743-R775 IonicContact OE2-NH2 3.83Å; E743-R775 PolarHBondContact OE2-NH2 2.75Å; E771-R775 PolarHBondContact O-N 3.48Å; V772-R775 PolarHBondContact O-N 2.95Å; R775-E778 WeakPolarHBondContact CA-OE2 3.33Å; R775-E778 WeakPolarHBondContact CD-OE2 3.4Å; R775-E778 IonicContact CZ-OE2 3.12Å; R775-E778 IonicContact NE-OE2 3.84Å; R775-E778 VanDerWaalsContact NH1-CD 3.33Å; R775-E778 IonicContact NH1-OE1 3.14Å; R775-E778 PolarHBondContact NH1-OE1 3.4Å; R775-E778 IonicContact NH1-OE2 3.26Å; R775-E778 PolarHBondContact NH1-OE2 3.3Å; R775-L779 PolarHBondContact O-N 3.27Å; R775-L779 VanDerWaalsContact O-N 3.16Å
776W96.5Very high93.5Very high2 Ų226.4 Ų26.41%0.00813%0.132CC..Hα-helixtrans-64.5-45.6172.8170-119.1000111.5L742 M756 L759 H760 L765 V772 R773 H774 E778 L779 V780 Y785 A788 D791L742-W776 HydrophobicContact CD1-CB 4.35Å; M756-W776 HydrophobicContact CB-CH2 4.44Å; M756-W776 HydrophobicContact CE-CE3 4.42Å; M756-W776 HydrophobicContact CE-CH2 3.77Å; M756-W776 HydrophobicContact CE-CZ3 3.51Å; M756-W776 HydrophobicContact SD-CZ3 4.13Å; L759-W776 HydrophobicContact CD2-CZ3 4.24Å; H760-W776 HydrophobicContact CB-CH2 3.83Å; H760-W776 HydrophobicContact CB-CZ2 3.76Å; H760-W776 AromaticContact CD2-CE2 3.87Å; H760-W776 AromaticContact CD2-CZ2 3.89Å; H760-W776 AromaticContact CD2-NE1 3.88Å; H760-W776 AromaticContact CG-CZ2 3.83Å; L765-W776 HydrophobicContact CB-CB 4.18Å; L765-W776 HydrophobicContact CB-CD2 4.29Å; L765-W776 HydrophobicContact CB-CG 3.93Å; L765-W776 HydrophobicContact CD1-CB 4.09Å; L765-W776 HydrophobicContact CD1-CD2 3.48Å; L765-W776 VanDerWaalsContact CD1-CD2 3.48Å; L765-W776 HydrophobicContact CD1-CE3 3.31Å; L765-W776 HydrophobicContact CD1-CG 3.82Å; L765-W776 HydrophobicContact CD1-CZ3 3.94Å; V772-W776 WeakPolarHBondContact O-CB 3.32Å; V772-W776 PolarHBondContact O-N 2.88Å; R773-W776 WeakPolarHBondContact O-CB 3.4Å; R773-W776 PolarHBondContact O-N 3.43Å; H774-W776 VanDerWaalsContact C-N 3.25Å; H774-W776 PolarHBondContact O-N 3.01Å; W776-E778 PolarHBondContact O-N 3.49Å; W776-L779 HydrophobicContact CE3-CD2 4.25Å; W776-L779 HydrophobicContact CZ3-CD2 4.21Å; W776-L779 WeakPolarHBondContact O-CB 3.48Å; W776-L779 PolarHBondContact O-N 3.34Å; W776-L779 VanDerWaalsContact O-N 3.13Å; W776-V780 HydrophobicContact CD2-CG2 3.84Å; W776-V780 VanDerWaalsContact CE2-CG2 3.45Å; W776-V780 HydrophobicContact CE3-CG2 4.21Å; W776-V780 HydrophobicContact CG-CG2 4.43Å; W776-V780 HydrophobicContact CH2-CG2 3.94Å; W776-V780 HydrophobicContact CZ2-CG2 3.52Å; W776-V780 HydrophobicContact CZ3-CG2 4.27Å; W776-V780 VanDerWaalsContact O-CG2 3.32Å; W776-V780 WeakPolarHBondContact O-CG2 3.07Å; W776-V780 PolarHBondContact O-N 2.78Å; W776-Y785 HydrophobicContact CH2-CD1 4.1Å; W776-Y785 HydrophobicContact CH2-CE1 4.09Å; W776-Y785 HydrophobicContact CZ2-CD1 4.26Å; W776-Y785 HydrophobicContact CZ2-CE1 4.16Å; W776-A788 HydrophobicContact CZ2-CB 3.88Å; W776-D791 PolarHBondContact NE1-OD2 2.77Å
777C97.1Very high93.7Very high2 Ų227.6 Ų27.61%0.01414%0.137CC..Hα-helixtrans-61.9-43.6178.4-66.60000111.7R773 H774 L779 V780 V781 V792 L806R773-C777 PolarHBondContact O-N 2.77Å; R773-C777 PolarHBondContact O-SG 3.16Å; H774-C777 WeakPolarHBondContact O-CB 3.24Å; H774-C777 PolarHBondContact O-N 2.68Å; C777-L779 VanDerWaalsContact C-N 3.26Å; C777-L779 PolarHBondContact O-N 3.42Å; C777-V780 WeakPolarHBondContact O-CB 3.04Å; C777-V780 PolarHBondContact O-N 2.67Å; C777-V780 VanDerWaalsContact O-N 3.14Å; C777-V781 WeakPolarHBondContact O-CG2 3.41Å; C777-V781 PolarHBondContact O-N 2.65Å; C777-V792 HydrophobicContact CB-CG2 4.06Å; C777-L806 HydrophobicContact CB-CD1 4.05Å; C777-L806 HydrophobicContact CB-CD2 3.65Å
778E96.1Very high94.2Very high26 Ų2624.1 Ų24.112%0.12112%0.123CC..Hα-helixtrans-55.7-43.3172.8-71.6172117.700111.1L746 H774 R775 W776 V780 V781 K782 L806L746-E778 HydrophobicContact CD1-CB 3.9Å; L746-E778 HydrophobicContact CD2-CB 4Å; H774-E778 IonicContact CE1-OE1 2.71Å; H774-E778 IonicContact CE1-OE2 3.01Å; H774-E778 PolarHBondContact CE1-OE2 3.33Å; H774-E778 IonicContact ND1-OE1 3.41Å; H774-E778 IonicContact ND1-OE2 3.28Å; H774-E778 PolarHBondContact ND1-OE2 2.73Å; H774-E778 PolarHBondContact O-N 2.77Å; R775-E778 WeakPolarHBondContact CA-OE2 3.33Å; R775-E778 WeakPolarHBondContact CD-OE2 3.4Å; R775-E778 IonicContact CZ-OE2 3.12Å; R775-E778 IonicContact NE-OE2 3.84Å; R775-E778 VanDerWaalsContact NH1-CD 3.33Å; R775-E778 IonicContact NH1-OE1 3.14Å; R775-E778 PolarHBondContact NH1-OE1 3.4Å; R775-E778 IonicContact NH1-OE2 3.26Å; R775-E778 PolarHBondContact NH1-OE2 3.3Å; W776-E778 PolarHBondContact O-N 3.49Å; E778-V780 PolarHBondContact O-N 2.97Å; E778-V781 PolarHBondContact O-N 2.86Å; E778-K782 VanDerWaalsContact O-CB 3.29Å; E778-K782 WeakPolarHBondContact O-CB 3.34Å; E778-K782 PolarHBondContact O-N 3.3Å; E778-L806 HydrophobicContact CG-CD1 4.38Å
779L96.2Very high94.6Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-67.6-36.5179.3-16470.1000112.3L742 L745 L746 L751 M756 L759 R775 W776 C777 H783L742-L779 HydrophobicContact CD2-CD2 4.15Å; L745-L779 HydrophobicContact CB-CD1 4.32Å; L745-L779 HydrophobicContact CB-CD2 4.49Å; L746-L779 HydrophobicContact CD2-CB 4.11Å; L746-L779 HydrophobicContact CD2-CD1 3.75Å; L746-L779 HydrophobicContact CG-CB 4.47Å; L746-L779 HydrophobicContact CG-CD1 3.92Å; L751-L779 HydrophobicContact CD1-CD1 3.82Å; L751-L779 HydrophobicContact CD1-CD2 4.05Å; L751-L779 HydrophobicContact CD1-CG 4.23Å; M756-L779 HydrophobicContact CE-CB 4.27Å; M756-L779 HydrophobicContact CE-CD2 3.9Å; M756-L779 HydrophobicContact CE-CG 3.71Å; M756-L779 HydrophobicContact SD-CD2 3.7Å; M756-L779 HydrophobicContact SD-CG 3.93Å; L759-L779 HydrophobicContact CD2-CD2 3.85Å; R775-L779 PolarHBondContact O-N 3.27Å; R775-L779 VanDerWaalsContact O-N 3.16Å; W776-L779 HydrophobicContact CE3-CD2 4.25Å; W776-L779 HydrophobicContact CZ3-CD2 4.21Å; W776-L779 WeakPolarHBondContact O-CB 3.48Å; W776-L779 PolarHBondContact O-N 3.34Å; W776-L779 VanDerWaalsContact O-N 3.13Å; C777-L779 VanDerWaalsContact C-N 3.26Å; C777-L779 PolarHBondContact O-N 3.42Å; L779-H783 PolarHBondContact O-CD2 3.13Å; L779-H783 PolarHBondContact O-N 2.92Å
780V96.4Very high94.9Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-63.5-46.2174.7169.80000110.9M756 W776 C777 E778 T784 Y785 A788 Y789 V792M756-V780 HydrophobicContact CE-CG2 4.47Å; W776-V780 HydrophobicContact CD2-CG2 3.84Å; W776-V780 VanDerWaalsContact CE2-CG2 3.45Å; W776-V780 HydrophobicContact CE3-CG2 4.21Å; W776-V780 HydrophobicContact CG-CG2 4.43Å; W776-V780 HydrophobicContact CH2-CG2 3.94Å; W776-V780 HydrophobicContact CZ2-CG2 3.52Å; W776-V780 HydrophobicContact CZ3-CG2 4.27Å; W776-V780 VanDerWaalsContact O-CG2 3.32Å; W776-V780 WeakPolarHBondContact O-CG2 3.07Å; W776-V780 PolarHBondContact O-N 2.78Å; C777-V780 WeakPolarHBondContact O-CB 3.04Å; C777-V780 PolarHBondContact O-N 2.67Å; C777-V780 VanDerWaalsContact O-N 3.14Å; E778-V780 PolarHBondContact O-N 2.97Å; V780-T784 PolarHBondContact O-N 3.28Å; V780-T784 VanDerWaalsContact O-N 3.15Å; V780-Y785 HydrophobicContact CG2-CD1 4.29Å; V780-Y785 PolarHBondContact O-N 3.35Å; V780-A788 HydrophobicContact CG1-CB 3.96Å; V780-A788 HydrophobicContact CG2-CB 3.69Å; V780-Y789 HydrophobicContact CG1-CD1 3.8Å; V780-Y789 HydrophobicContact CG1-CE1 4.1Å; V780-V792 HydrophobicContact CB-CG2 4.18Å; V780-V792 HydrophobicContact CG1-CG2 3.83Å
781V95.9Very high95.1Very high1 Ų129.1 Ų29.11%0.00615%0.153CC..Hα-helixtrans-64.8-52.8178.61730000110.1C777 E778 H783 T784 V792 L806 E809 L810 Q818C777-V781 WeakPolarHBondContact O-CG2 3.41Å; C777-V781 PolarHBondContact O-N 2.65Å; E778-V781 PolarHBondContact O-N 2.86Å; V781-H783 VanDerWaalsContact C-N 3.26Å; V781-H783 PolarHBondContact O-N 2.89Å; V781-H783 VanDerWaalsContact O-N 3.17Å; V781-T784 PolarHBondContact O-N 2.9Å; V781-T784 VanDerWaalsContact O-N 3.09Å; V781-V792 HydrophobicContact CG2-CG1 4.4Å; V781-V792 HydrophobicContact CG2-CG2 4.2Å; V781-L806 HydrophobicContact CG2-CD1 4.04Å; V781-E809 HydrophobicContact CG1-CB 4.16Å; V781-E809 WeakPolarHBondContact CG1-O 3.23Å; V781-L810 HydrophobicContact CG1-CD2 4.17Å; V781-L810 HydrophobicContact CG1-CG 4.48Å; V781-L810 HydrophobicContact CG2-CD2 3.57Å; V781-L810 HydrophobicContact CG2-CG 4.08Å; V781-Q818 PolarHBondContact O-NE2 2.83Å
782K95.1Very high95.3Very high63 Ų6326.6 Ų26.627%0.27414%0.141SC..Hα-helixtrans-53.4-41.2-179.4-173.9-176.6-176.7-170.10112.9L746 E748 E778 Q813L746-K782 HydrophobicContact CD2-CB 4.28Å; L746-K782 HydrophobicContact CD2-CD 4Å; L746-K782 PolarHBondContact O-NZ 3.29Å; E748-K782 PolarHBondContact O-NZ 2.99Å; E778-K782 VanDerWaalsContact O-CB 3.29Å; E778-K782 WeakPolarHBondContact O-CB 3.34Å; E778-K782 PolarHBondContact O-N 3.3Å; K782-Q813 PolarHBondContact O-NE2 2.94Å
783H93.9Very high95.4Very high28 Ų2829.6 Ų29.613%0.1316%0.155CC..THydrogen-bonded Turntrans-102.417.7-176.7-63.9-60.2000114.2L779 V781 Y785L779-H783 PolarHBondContact O-CD2 3.13Å; L779-H783 PolarHBondContact O-N 2.92Å; V781-H783 VanDerWaalsContact C-N 3.26Å; V781-H783 PolarHBondContact O-N 2.89Å; V781-H783 VanDerWaalsContact O-N 3.17Å; H783-Y785 PolarHBondContact O-N 3.5Å
784T93.9Very high95.4Very high70 Ų7032 Ų3243%0.42917%0.168SC..THydrogen-bonded Turntrans46.640.7177.555.70000113.5V780 V781 S786 Q813V780-T784 PolarHBondContact O-N 3.28Å; V780-T784 VanDerWaalsContact O-N 3.15Å; V781-T784 PolarHBondContact O-N 2.9Å; V781-T784 VanDerWaalsContact O-N 3.09Å; T784-S786 VanDerWaalsContact C-N 3.33Å; T784-S786 PolarHBondContact O-N 3.08Å; T784-Q813 VanDerWaalsContact CG2-OE1 3.24Å
785Y94.6Very high95.5Very high15 Ų1531.1 Ų31.16%0.05917%0.165CC..  trans-82.476.8-174.6-178.6-124.1000111.4V753 M756 W776 V780 H783 Q787 A788V753-Y785 HydrophobicContact CG1-CD2 4.17Å; V753-Y785 HydrophobicContact CG1-CE2 3.74Å; M756-Y785 HydrophobicContact CB-CD1 4.17Å; M756-Y785 HydrophobicContact CB-CD2 4.33Å; M756-Y785 HydrophobicContact CB-CE1 4.22Å; M756-Y785 HydrophobicContact CB-CE2 4.38Å; M756-Y785 HydrophobicContact CB-CG 4.24Å; M756-Y785 HydrophobicContact CE-CD1 4.3Å; M756-Y785 HydrophobicContact CE-CG 4.47Å; W776-Y785 HydrophobicContact CH2-CD1 4.1Å; W776-Y785 HydrophobicContact CH2-CE1 4.09Å; W776-Y785 HydrophobicContact CZ2-CD1 4.26Å; W776-Y785 HydrophobicContact CZ2-CE1 4.16Å; V780-Y785 HydrophobicContact CG2-CD1 4.29Å; V780-Y785 PolarHBondContact O-N 3.35Å; H783-Y785 PolarHBondContact O-N 3.5Å; Y785-Q787 HydrophobicContact CD2-CB 4.29Å; Y785-Q787 HydrophobicContact CE1-CB 4.13Å; Y785-Q787 HydrophobicContact CE2-CB 3.64Å; Y785-Q787 HydrophobicContact CE2-CG 4.19Å; Y785-Q787 PolarHBondContact O-N 2.94Å; Y785-Q787 PolarHBondContact OH-OE1 3.09Å; Y785-A788 HydrophobicContact CD1-CB 3.54Å; Y785-A788 HydrophobicContact CE1-CB 3.61Å; Y785-A788 PolarHBondContact O-N 3.42Å
786S92.9Very high95.4Very high67 Ų6729.9 Ų29.947%0.46916%0.16SC..G310 helixtrans-54.4-25.2-173.960.10000115.8T784 A788 Y789T784-S786 VanDerWaalsContact C-N 3.33Å; T784-S786 PolarHBondContact O-N 3.08Å; S786-A788 PolarHBondContact O-N 2.79Å; S786-A788 VanDerWaalsContact O-N 3.16Å; S786-Y789 PolarHBondContact O-N 2.88Å
787Q93.5Very high95.2Very high105 Ų10531.6 Ų31.649%0.49117%0.169SC..G310 helixtrans-63.3-16.5175.1-77.4165.349.700113.8Y785Y785-Q787 HydrophobicContact CD2-CB 4.29Å; Y785-Q787 HydrophobicContact CE1-CB 4.13Å; Y785-Q787 HydrophobicContact CE2-CB 3.64Å; Y785-Q787 HydrophobicContact CE2-CG 4.19Å; Y785-Q787 PolarHBondContact O-N 2.94Å; Y785-Q787 PolarHBondContact OH-OE1 3.09Å
788A95.4Very high94.9Very high3 Ų335.7 Ų35.73%0.02519%0.188CC..G310 helixtrans-119.714.5179.900000113.4W776 V780 Y785 S786 C790 D791W776-A788 HydrophobicContact CZ2-CB 3.88Å; V780-A788 HydrophobicContact CG1-CB 3.96Å; V780-A788 HydrophobicContact CG2-CB 3.69Å; Y785-A788 HydrophobicContact CD1-CB 3.54Å; Y785-A788 HydrophobicContact CE1-CB 3.61Å; Y785-A788 PolarHBondContact O-N 3.42Å; S786-A788 PolarHBondContact O-N 2.79Å; S786-A788 VanDerWaalsContact O-N 3.16Å; A788-C790 PolarHBondContact O-N 3.44Å; A788-D791 WeakPolarHBondContact O-CB 3.44Å; A788-D791 PolarHBondContact O-N 2.94Å
789Y96.1Very high94.8Very high25 Ų2534.7 Ų34.710%0.09818%0.183CC..Hα-helixtrans-61.8-23.6173.5-74.7-4.4000113V780 S786 D791 V792 E793 E817 Q818 L821V780-Y789 HydrophobicContact CG1-CD1 3.8Å; V780-Y789 HydrophobicContact CG1-CE1 4.1Å; S786-Y789 PolarHBondContact O-N 2.88Å; Y789-D791 VanDerWaalsContact C-N 3.26Å; Y789-D791 PolarHBondContact O-N 2.83Å; Y789-V792 PolarHBondContact O-N 3.05Å; Y789-E793 PolarHBondContact O-N 3.39Å; Y789-E817 HydrophobicContact CE2-CB 3.95Å; Y789-Q818 HydrophobicContact CE1-CG 4.27Å; Y789-Q818 HydrophobicContact CE2-CG 4.26Å; Y789-Q818 VanDerWaalsContact OH-CG 3.3Å; Y789-Q818 WeakPolarHBondContact OH-CG 3.44Å; Y789-Q818 PolarHBondContact OH-NE2 2.96Å; Y789-L821 HydrophobicContact CG-CD2 4.38Å
790C95.8Very high94.5Very high73 Ų7335.5 Ų35.549%0.49319%0.187SC..Hα-helixtrans-62.7-31.8170.258.40000112.9A788 D794A788-C790 PolarHBondContact O-N 3.44Å; C790-D794 VanDerWaalsContact O-CB 3.25Å; C790-D794 WeakPolarHBondContact O-CB 3.47Å; C790-D794 PolarHBondContact O-N 3.12Å
791D95.4Very high94.2Very high24 Ų2436.4 Ų36.413%0.12820%0.195CC..Hα-helixtrans-71.6-37.5178-58.1-13.5000110.4H760 W776 A788 Y789 F795H760-D791 IonicContact CE1-OD2 3.33Å; H760-D791 IonicContact NE2-OD2 2.64Å; W776-D791 PolarHBondContact NE1-OD2 2.77Å; A788-D791 WeakPolarHBondContact O-CB 3.44Å; A788-D791 PolarHBondContact O-N 2.94Å; Y789-D791 VanDerWaalsContact C-N 3.26Å; Y789-D791 PolarHBondContact O-N 2.83Å; D791-F795 WeakPolarHBondContact O-CB 3.37Å; D791-F795 PolarHBondContact O-N 3.36Å
792V96.9Very high93.9Very high0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-65.8-46.6174.9177.40000110.5C777 V780 V781 Y789 F795 L796 L806 L810 L821C777-V792 HydrophobicContact CB-CG2 4.06Å; V780-V792 HydrophobicContact CB-CG2 4.18Å; V780-V792 HydrophobicContact CG1-CG2 3.83Å; V781-V792 HydrophobicContact CG2-CG1 4.4Å; V781-V792 HydrophobicContact CG2-CG2 4.2Å; Y789-V792 PolarHBondContact O-N 3.05Å; V792-F795 PolarHBondContact O-N 3.28Å; V792-L796 HydrophobicContact CG1-CD1 4.23Å; V792-L796 WeakPolarHBondContact O-CG 3.5Å; V792-L796 PolarHBondContact O-N 3.12Å; V792-L806 HydrophobicContact CG1-CD2 4.04Å; V792-L806 HydrophobicContact CG1-CG 4.43Å; V792-L810 HydrophobicContact CG1-CD1 4.12Å; V792-L810 HydrophobicContact CG1-CD2 4.29Å; V792-L821 HydrophobicContact CB-CD2 4.08Å; V792-L821 HydrophobicContact CG1-CD2 3.81Å
793E96.8Very high93.6Very high63 Ų6334.7 Ų34.729%0.29419%0.188SC..Hα-helixtrans-57.7-51175.1-169.6164.9-141.200111.1Y789 F795 L796 L797 L821Y789-E793 PolarHBondContact O-N 3.39Å; E793-F795 VanDerWaalsContact C-N 3.28Å; E793-F795 PolarHBondContact O-N 3.04Å; E793-L796 PolarHBondContact O-N 3.17Å; E793-L797 HydrophobicContact CG-CD1 4.09Å; E793-L797 VanDerWaalsContact O-CG 3.28Å; E793-L797 WeakPolarHBondContact O-CG 3.22Å; E793-L797 PolarHBondContact O-N 3.26Å; E793-L797 VanDerWaalsContact O-N 3.09Å; E793-L821 HydrophobicContact CB-CD1 3.82Å; E793-L821 HydrophobicContact CG-CD1 4.03Å
794D94.8Very high93.4Very high58 Ų5834.1 Ų34.131%0.3119%0.187SC..Hα-helixtrans-60-36.9179-178.753.5000112.6K483 C790 H798K483-D794 IonicContact NZ-OD1 3.73Å; K483-D794 IonicContact NZ-OD2 3.13Å; K483-D794 PolarHBondContact NZ-OD2 3.25Å; C790-D794 VanDerWaalsContact O-CB 3.25Å; C790-D794 WeakPolarHBondContact O-CB 3.47Å; C790-D794 PolarHBondContact O-N 3.12Å; D794-H798 WeakPolarHBondContact O-CB 3.36Å; D794-H798 PolarHBondContact O-N 2.87Å; D794-H798 PolarHBondContact O-ND1 2.83Å; D794-H798 IonicContact OD1-CE1 2.89Å; D794-H798 PolarHBondContact OD1-CE1 3.38Å; D794-H798 VanDerWaalsContact OD1-CE1 3.23Å; D794-H798 IonicContact OD1-CG 2.81Å; D794-H798 IonicContact OD1-ND1 3.3Å; D794-H798 PolarHBondContact OD1-ND1 2.89Å
795F95.3Very high93.1Very high1 Ų135.8 Ų35.80%0.00419%0.186CC..Hα-helixtrans-67.2-48.6175.7-167.2-88.6000112.2A770 R773 H774 D791 V792 E793 L797 H798 D799 M802 L806A770-F795 HydrophobicContact CB-CE2 4.37Å; A770-F795 WeakPolarHBondContact O-CE2 3.37Å; R773-F795 HydrophobicContact CB-CD2 3.86Å; R773-F795 HydrophobicContact CB-CE2 3.9Å; R773-F795 VanDerWaalsContact NH1-CD2 3.26Å; H774-F795 HydrophobicContact CB-CE1 4.33Å; H774-F795 HydrophobicContact CB-CE2 4.1Å; H774-F795 HydrophobicContact CB-CZ 3.67Å; H774-F795 AromaticContact CD2-CE1 3.71Å; H774-F795 AromaticContact CD2-CZ 3.8Å; D791-F795 WeakPolarHBondContact O-CB 3.37Å; D791-F795 PolarHBondContact O-N 3.36Å; V792-F795 PolarHBondContact O-N 3.28Å; E793-F795 VanDerWaalsContact C-N 3.28Å; E793-F795 PolarHBondContact O-N 3.04Å; F795-L797 VanDerWaalsContact C-N 3.27Å; F795-L797 PolarHBondContact O-N 3.44Å; F795-H798 PolarHBondContact O-N 3.4Å; F795-D799 HydrophobicContact CD1-CB 4.37Å; F795-D799 HydrophobicContact CD2-CB 4.09Å; F795-D799 HydrophobicContact CE1-CB 4.21Å; F795-D799 HydrophobicContact CE2-CB 3.9Å; F795-D799 HydrophobicContact CG-CB 4.3Å; F795-D799 HydrophobicContact CZ-CB 3.95Å; F795-D799 WeakPolarHBondContact O-CA 3.44Å; F795-D799 WeakPolarHBondContact O-CB 3.22Å; F795-D799 PolarHBondContact O-N 3.25Å; F795-M802 HydrophobicContact CE1-CB 4.13Å; F795-M802 HydrophobicContact CZ-CB 3.83Å; F795-L806 HydrophobicContact CD1-CD2 3.89Å
796L95.3Very high93Very high1 Ų135.1 Ų35.11%0.00518%0.183CC..Hα-helixtrans-63.6-31.8-179.1-71.5178000112.9V792 E793 G803 L806 Y807 L810 C825V792-L796 HydrophobicContact CG1-CD1 4.23Å; V792-L796 WeakPolarHBondContact O-CG 3.5Å; V792-L796 PolarHBondContact O-N 3.12Å; E793-L796 PolarHBondContact O-N 3.17Å; L796-G803 VanDerWaalsContact CD2-O 3.3Å; L796-G803 WeakPolarHBondContact CD2-O 3.4Å; L796-L806 HydrophobicContact CD2-CB 3.94Å; L796-L806 HydrophobicContact CD2-CD2 3.93Å; L796-L806 HydrophobicContact CD2-CG 4.18Å; L796-L806 HydrophobicContact CG-CD2 4.16Å; L796-Y807 HydrophobicContact CD1-CD1 4.45Å; L796-Y807 HydrophobicContact CD1-CE1 4.1Å; L796-Y807 HydrophobicContact CD2-CD2 3.91Å; L796-Y807 HydrophobicContact CD2-CE2 3.71Å; L796-Y807 HydrophobicContact CD2-CG 4.43Å; L796-L810 HydrophobicContact CD1-CD1 3.75Å; L796-C825 HydrophobicContact CB-CB 4.11Å; L796-C825 HydrophobicContact CD1-CB 3.98Å
797L92.8Very high93.1Very high38 Ų3832.1 Ų32.120%0.19916%0.162CC..Hα-helixtrans-78.9-42.6179.5-64.5177.1000112.7E793 F795 Q800 L828 V829E793-L797 HydrophobicContact CG-CD1 4.09Å; E793-L797 VanDerWaalsContact O-CG 3.28Å; E793-L797 WeakPolarHBondContact O-CG 3.22Å; E793-L797 PolarHBondContact O-N 3.26Å; E793-L797 VanDerWaalsContact O-N 3.09Å; F795-L797 VanDerWaalsContact C-N 3.27Å; F795-L797 PolarHBondContact O-N 3.44Å; L797-Q800 PolarHBondContact O-NE2 3.32Å; L797-L828 HydrophobicContact CD1-CD1 4.35Å; L797-L828 HydrophobicContact CD2-CB 3.89Å; L797-L828 HydrophobicContact CD2-CD1 3.95Å; L797-V829 HydrophobicContact CD2-CG1 3.54Å
798H90.5Very high93.1Very high89 Ų8928 Ų2841%0.41215%0.147SC..Hα-helixtrans-102.3-24.6-169.5-60.198.5000114.6Q478 D794 F795Q478-H798 PolarHBondContact NE2-O 3.22Å; D794-H798 WeakPolarHBondContact O-CB 3.36Å; D794-H798 PolarHBondContact O-N 2.87Å; D794-H798 PolarHBondContact O-ND1 2.83Å; D794-H798 IonicContact OD1-CE1 2.89Å; D794-H798 PolarHBondContact OD1-CE1 3.38Å; D794-H798 VanDerWaalsContact OD1-CE1 3.23Å; D794-H798 IonicContact OD1-CG 2.81Å; D794-H798 IonicContact OD1-ND1 3.3Å; D794-H798 PolarHBondContact OD1-ND1 2.89Å; F795-H798 PolarHBondContact O-N 3.4Å
799D92.3Very high92.9Very high5 Ų531.7 Ų31.73%0.02716%0.164CC..  trans-114.543.3-174.5-60.9-92.4000111.9S479 K483 R773 F795 A801 M802 G803S479-D799 WeakPolarHBondContact CA-OD1 3.41Å; S479-D799 VanDerWaalsContact OG-CA 3.3Å; S479-D799 WeakPolarHBondContact OG-CA 3.33Å; K483-D799 IonicContact NZ-OD2 3.95Å; R773-D799 IonicContact CZ-OD1 3.76Å; R773-D799 IonicContact CZ-OD2 3.72Å; R773-D799 VanDerWaalsContact NH1-CG 3.34Å; R773-D799 IonicContact NH1-OD1 2.69Å; R773-D799 IonicContact NH1-OD2 3.49Å; R773-D799 PolarHBondContact NH1-OD2 2.58Å; R773-D799 VanDerWaalsContact NH2-CG 3.31Å; R773-D799 IonicContact NH2-OD1 3.66Å; R773-D799 PolarHBondContact NH2-OD1 3.04Å; R773-D799 IonicContact NH2-OD2 3.35Å; R773-D799 PolarHBondContact NH2-OD2 3.13Å; F795-D799 HydrophobicContact CD1-CB 4.37Å; F795-D799 HydrophobicContact CD2-CB 4.09Å; F795-D799 HydrophobicContact CE1-CB 4.21Å; F795-D799 HydrophobicContact CE2-CB 3.9Å; F795-D799 HydrophobicContact CG-CB 4.3Å; F795-D799 HydrophobicContact CZ-CB 3.95Å; F795-D799 WeakPolarHBondContact O-CA 3.44Å; F795-D799 WeakPolarHBondContact O-CB 3.22Å; F795-D799 PolarHBondContact O-N 3.25Å; D799-A801 VanDerWaalsContact C-N 3.27Å; D799-A801 PolarHBondContact O-N 3.37Å; D799-A801 VanDerWaalsContact O-N 3.12Å; D799-M802 PolarHBondContact O-N 3.24Å; D799-G803 PolarHBondContact O-N 2.73Å; D799-G803 VanDerWaalsContact O-N 3.11Å
800Q91.2Very high92.9Very high16 Ų1630.5 Ų30.58%0.07516%0.159CC..Hα-helixtrans-55.1-35.7-169.9-60.618036.700114A461 L797 M802 G803 M833A461-Q800 WeakPolarHBondContact O-CB 3.45Å; L797-Q800 PolarHBondContact O-NE2 3.32Å; Q800-M802 PolarHBondContact O-N 2.93Å; Q800-G803 PolarHBondContact O-N 2.8Å; Q800-M833 VanDerWaalsContact OE1-CG 3.23Å
801A89.5Confident92.8Very high20 Ų2028.2 Ų28.217%0.16514%0.142CC..Hα-helixtrans-55.9-19.3175.100000114.3F463 S465 L466 D799F463-A801 WeakPolarHBondContact O-CB 3.49Å; S465-A801 WeakPolarHBondContact O-CB 3.18Å; L466-A801 HydrophobicContact CD2-CB 4.09Å; D799-A801 VanDerWaalsContact C-N 3.27Å; D799-A801 PolarHBondContact O-N 3.37Å; D799-A801 VanDerWaalsContact O-N 3.12Å
802M89.9Confident92.6Very high27 Ų2732.3 Ų32.313%0.13317%0.167CC..Hα-helixtrans-120.2-7177.2-60.2-177.76900112.7L466 A770 E771 H774 F795 D799 Q800L466-M802 HydrophobicContact CD2-CG 3.81Å; L466-M802 HydrophobicContact CD2-SD 3.98Å; A770-M802 HydrophobicContact CB-CE 4.49Å; A770-M802 HydrophobicContact CB-SD 3.52Å; A770-M802 VanDerWaalsContact CB-SD 3.52Å; E771-M802 HydrophobicContact CB-CE 4.48Å; E771-M802 HydrophobicContact CG-CE 3.87Å; H774-M802 HydrophobicContact CB-CE 4.46Å; H774-M802 PolarHBondContact CD2-O 3.49Å; H774-M802 PolarHBondContact NE2-O 3.15Å; F795-M802 HydrophobicContact CE1-CB 4.13Å; F795-M802 HydrophobicContact CZ-CB 3.83Å; D799-M802 PolarHBondContact O-N 3.24Å; Q800-M802 PolarHBondContact O-N 2.93Å
803G88.9Confident92.3Very high1 Ų136.3 Ų36.31%0.0119%0.186CC..Hα-helixtrans-85.8-14.7-170.900000115.1L796 D799 Q800 Y805 L806L796-G803 VanDerWaalsContact CD2-O 3.3Å; L796-G803 WeakPolarHBondContact CD2-O 3.4Å; D799-G803 PolarHBondContact O-N 2.73Å; D799-G803 VanDerWaalsContact O-N 3.11Å; Q800-G803 PolarHBondContact O-N 2.8Å; G803-Y805 PolarHBondContact O-N 3.49Å; G803-L806 WeakPolarHBondContact O-CB 3.43Å; G803-L806 PolarHBondContact O-N 2.97Å; G803-L806 VanDerWaalsContact O-N 3.1Å
804V89Confident92Very high15 Ų1540.7 Ų40.79%0.09121%0.206CC..Hα-helixtrans-54.6-50.2-172.1175.50000112.1F604 L806 Y807 A837 V840 V841F604-V804 HydrophobicContact CE1-CB 4.36Å; F604-V804 HydrophobicContact CE1-CG1 3.8Å; F604-V804 HydrophobicContact CE1-CG2 4.43Å; F604-V804 HydrophobicContact CZ-CG1 4.16Å; V804-L806 VanDerWaalsContact C-N 3.26Å; V804-L806 PolarHBondContact O-N 3.14Å; V804-Y807 WeakPolarHBondContact O-CB 3.28Å; V804-Y807 PolarHBondContact O-N 3.03Å; V804-A837 HydrophobicContact CG2-CB 3.97Å; V804-V840 HydrophobicContact CG1-CG1 4.46Å; V804-V841 HydrophobicContact CG1-CG2 3.88Å
805Y87.8Confident92Very high106 Ų10639.9 Ų39.942%0.41620%0.202SC..Hα-helixtrans-63.9-29.7-178.9-65.5-77.6000114.1F604 G803 Y807 G808 E809F604-Y805 WeakPolarHBondContact CB-OH 3.13Å; F604-Y805 PolarHBondContact O-OH 3.12Å; G803-Y805 PolarHBondContact O-N 3.49Å; Y805-Y807 PolarHBondContact O-N 3.22Å; Y805-G808 PolarHBondContact O-N 2.89Å; Y805-E809 PolarHBondContact O-N 2.86Å
806L93.6Very high92Very high0 Ų044.4 Ų44.40%023%0.231CC..Hα-helixtrans-68.1-22.4-177.7-172.263.7000112C777 E778 V781 V792 F795 L796 G803 V804 E809 L810C777-L806 HydrophobicContact CB-CD1 4.05Å; C777-L806 HydrophobicContact CB-CD2 3.65Å; E778-L806 HydrophobicContact CG-CD1 4.38Å; V781-L806 HydrophobicContact CG2-CD1 4.04Å; V792-L806 HydrophobicContact CG1-CD2 4.04Å; V792-L806 HydrophobicContact CG1-CG 4.43Å; F795-L806 HydrophobicContact CD1-CD2 3.89Å; L796-L806 HydrophobicContact CD2-CB 3.94Å; L796-L806 HydrophobicContact CD2-CD2 3.93Å; L796-L806 HydrophobicContact CD2-CG 4.18Å; L796-L806 HydrophobicContact CG-CD2 4.16Å; G803-L806 WeakPolarHBondContact O-CB 3.43Å; G803-L806 PolarHBondContact O-N 2.97Å; G803-L806 VanDerWaalsContact O-N 3.1Å; V804-L806 VanDerWaalsContact C-N 3.26Å; V804-L806 PolarHBondContact O-N 3.14Å; L806-E809 HydrophobicContact CD1-CB 4.38Å; L806-L810 VanDerWaalsContact O-CG 3.32Å; L806-L810 WeakPolarHBondContact O-CG 3.13Å; L806-L810 PolarHBondContact O-N 3.46Å; L806-L810 VanDerWaalsContact O-N 3.14Å
807Y94.8Very high92Very high4 Ų450 Ų502%0.01626%0.257CS..Hα-helixtrans-62.8-44.8168.8-76.5-77.7000111.7L796 V804 Y805 L810 M811 A822 C825 L826 V841 I845L796-Y807 HydrophobicContact CD1-CD1 4.45Å; L796-Y807 HydrophobicContact CD1-CE1 4.1Å; L796-Y807 HydrophobicContact CD2-CD2 3.91Å; L796-Y807 HydrophobicContact CD2-CE2 3.71Å; L796-Y807 HydrophobicContact CD2-CG 4.43Å; V804-Y807 WeakPolarHBondContact O-CB 3.28Å; V804-Y807 PolarHBondContact O-N 3.03Å; Y805-Y807 PolarHBondContact O-N 3.22Å; Y807-L810 PolarHBondContact O-N 2.77Å; Y807-M811 WeakPolarHBondContact O-CG 3.39Å; Y807-M811 PolarHBondContact O-N 3.1Å; Y807-A822 HydrophobicContact CD1-CB 3.94Å; Y807-A822 HydrophobicContact CE1-CB 4.4Å; Y807-A822 WeakPolarHBondContact CE1-O 3.4Å; Y807-C825 HydrophobicContact CE1-CB 4.04Å; Y807-C825 WeakPolarHBondContact OH-CB 3.3Å; Y807-L826 HydrophobicContact CE1-CB 4.13Å; Y807-L826 PolarHBondContact OH-N 3.33Å; Y807-V841 HydrophobicContact CD1-CG1 3.73Å; Y807-V841 HydrophobicContact CD2-CB 4.33Å; Y807-V841 HydrophobicContact CD2-CG1 3.61Å; Y807-V841 HydrophobicContact CD2-CG2 3.65Å; Y807-V841 HydrophobicContact CE1-CG1 4.05Å; Y807-V841 HydrophobicContact CE2-CG1 3.93Å; Y807-V841 HydrophobicContact CE2-CG2 4.18Å; Y807-V841 HydrophobicContact CG-CB 4.49Å; Y807-V841 HydrophobicContact CG-CG1 3.49Å; Y807-V841 VanDerWaalsContact CG-CG1 3.49Å; Y807-V841 HydrophobicContact CG-CG2 4.16Å; Y807-I845 HydrophobicContact CD1-CD1 3.76Å; Y807-I845 HydrophobicContact CE1-CD1 4.22Å
808G92.1Very high92.2Very high18 Ų1848.1 Ų48.119%0.18625%0.248CC..Hα-helixtrans-59.7-49175.600000111.7Y805 L810 M811 V812Y805-G808 PolarHBondContact O-N 2.89Å; G808-L810 VanDerWaalsContact C-N 3.29Å; G808-L810 PolarHBondContact O-N 3.26Å; G808-M811 WeakPolarHBondContact O-CA 3.27Å; G808-M811 WeakPolarHBondContact O-CB 3.26Å; G808-M811 PolarHBondContact O-N 3.29Å; G808-V812 WeakPolarHBondContact O-CG2 3.3Å; G808-V812 PolarHBondContact O-N 3.01Å
809E92.5Very high92.4Very high82 Ų8246.7 Ų46.738%0.38324%0.241SC..Hα-helixtrans-56.5-39.9178.4-69.7-60.5129.100113.2V781 Y805 L806 M811 V812V781-E809 HydrophobicContact CG1-CB 4.16Å; V781-E809 WeakPolarHBondContact CG1-O 3.23Å; Y805-E809 PolarHBondContact O-N 2.86Å; L806-E809 HydrophobicContact CD1-CB 4.38Å; E809-M811 PolarHBondContact O-N 3.04Å; E809-V812 PolarHBondContact O-N 2.93Å
810L95.7Very high92.6Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-63.3-25175.9-75.7166.6000112.8V781 V792 L796 L806 Y807 G808 Q818 L821 A822V781-L810 HydrophobicContact CG1-CD2 4.17Å; V781-L810 HydrophobicContact CG1-CG 4.48Å; V781-L810 HydrophobicContact CG2-CD2 3.57Å; V781-L810 HydrophobicContact CG2-CG 4.08Å; V792-L810 HydrophobicContact CG1-CD1 4.12Å; V792-L810 HydrophobicContact CG1-CD2 4.29Å; L796-L810 HydrophobicContact CD1-CD1 3.75Å; L806-L810 VanDerWaalsContact O-CG 3.32Å; L806-L810 WeakPolarHBondContact O-CG 3.13Å; L806-L810 PolarHBondContact O-N 3.46Å; L806-L810 VanDerWaalsContact O-N 3.14Å; Y807-L810 PolarHBondContact O-N 2.77Å; G808-L810 VanDerWaalsContact C-N 3.29Å; G808-L810 PolarHBondContact O-N 3.26Å; L810-Q818 HydrophobicContact CB-CB 4.38Å; L810-Q818 HydrophobicContact CD2-CB 3.64Å; L810-Q818 HydrophobicContact CD2-CG 3.83Å; L810-Q818 WeakPolarHBondContact O-CB 3.3Å; L810-L821 HydrophobicContact CD2-CD2 4.34Å; L810-A822 HydrophobicContact CB-CB 4.25Å; L810-A822 HydrophobicContact CD1-CB 3.99Å
811M94.5Very high92.9Very high25 Ų2547.6 Ų47.612%0.12325%0.252CS..Hα-helixtrans-86.8-30.2-179.2-60.4-5387.900112.5Y807 G808 E809 Q813 E814 Q819 A822 M844 I845Y807-M811 WeakPolarHBondContact O-CG 3.39Å; Y807-M811 PolarHBondContact O-N 3.1Å; G808-M811 WeakPolarHBondContact O-CA 3.27Å; G808-M811 WeakPolarHBondContact O-CB 3.26Å; G808-M811 PolarHBondContact O-N 3.29Å; E809-M811 PolarHBondContact O-N 3.04Å; M811-Q813 VanDerWaalsContact C-N 3.31Å; M811-Q813 PolarHBondContact O-N 3.09Å; M811-E814 PolarHBondContact O-N 3.23Å; M811-E814 VanDerWaalsContact O-N 3.09Å; M811-Q819 HydrophobicContact CE-CB 4.26Å; M811-Q819 HydrophobicContact CE-CG 3.93Å; M811-Q819 HydrophobicContact SD-CG 3.96Å; M811-A822 HydrophobicContact CE-CB 3.32Å; M811-A822 HydrophobicContact SD-CB 4.44Å; M811-M844 WeakPolarHBondContact CG-O 2.81Å; M811-I845 HydrophobicContact SD-CG1 4.26Å
812V91.4Very high93.2Very high109 Ų10946.6 Ų46.666%0.66124%0.244SC*.Hα-helixtrans-55.8-39.3-170.4171.10000113.6G808 E809 E814G808-V812 WeakPolarHBondContact O-CG2 3.3Å; G808-V812 PolarHBondContact O-N 3.01Å; E809-V812 PolarHBondContact O-N 2.93Å; V812-E814 VanDerWaalsContact C-N 3.34Å
813Q89.6Confident93.5Very high85 Ų8551.6 Ų51.640%0.39726%0.262SS..THydrogen-bonded Turntrans-86-3.6-175.7-61.7-167.5-4.700114.3K782 T784 M811 D815K782-Q813 PolarHBondContact O-NE2 2.94Å; T784-Q813 VanDerWaalsContact CG2-OE1 3.24Å; M811-Q813 VanDerWaalsContact C-N 3.31Å; M811-Q813 PolarHBondContact O-N 3.09Å; Q813-D815 PolarHBondContact O-N 2.88Å; Q813-D815 VanDerWaalsContact O-N 3.14Å
814E91.1Very high93.9Very high154 Ų15457.2 Ų57.272%0.7228%0.282SS*.  trans52.828.5-173.8-58-176172.300114M811 V812 P816M811-E814 PolarHBondContact O-N 3.23Å; M811-E814 VanDerWaalsContact O-N 3.09Å; V812-E814 VanDerWaalsContact C-N 3.34Å; E814-P816 WeakPolarHBondContact O-CD 3.37Å
815D94.7Very high94.2Very high41 Ų4156.5 Ų56.522%0.21928%0.278CS..  trans-74.9125177.6177.6-94.9000110.9Q813 E817 Q818 Q819Q813-D815 PolarHBondContact O-N 2.88Å; Q813-D815 VanDerWaalsContact O-N 3.14Å; D815-E817 VanDerWaalsContact C-N 3.3Å; D815-E817 PolarHBondContact O-N 3.44Å; D815-E817 WeakPolarHBondContact OD1-CA 3.33Å; D815-E817 WeakPolarHBondContact OD1-CB 3.41Å; D815-E817 PolarHBondContact OD1-N 2.69Å; D815-Q818 HydrophobicContact CB-CB 4.06Å; D815-Q818 HydrophobicContact CB-CG 4.04Å; D815-Q818 PolarHBondContact O-N 2.84Å; D815-Q818 WeakPolarHBondContact OD1-CG 3.33Å; D815-Q818 PolarHBondContact OD1-N 2.92Å; D815-Q819 WeakPolarHBondContact O-CB 3.44Å; D815-Q819 WeakPolarHBondContact O-CG 3.26Å; D815-Q819 PolarHBondContact O-N 2.84Å
816P94.3Very high94.5Very high96 Ų9652.2 Ų52.262%0.62326%0.262SS*.Hα-helixtrans-62.5-31.7-176.1-25.634.5000114.6E814 A820E814-P816 WeakPolarHBondContact O-CD 3.37Å; P816-A820 VanDerWaalsContact O-CB 3.22Å; P816-A820 WeakPolarHBondContact O-CB 3.33Å; P816-A820 PolarHBondContact O-N 3.43Å
817E95.8Very high94.6Very high118 Ų11856.7 Ų56.755%0.55129%0.29SS*.Hα-helixtrans-73.7-41179-65.3-171.4173.900111Y789 D815 A820 L821Y789-E817 HydrophobicContact CE2-CB 3.95Å; D815-E817 VanDerWaalsContact C-N 3.3Å; D815-E817 PolarHBondContact O-N 3.44Å; D815-E817 WeakPolarHBondContact OD1-CA 3.33Å; D815-E817 WeakPolarHBondContact OD1-CB 3.41Å; D815-E817 PolarHBondContact OD1-N 2.69Å; E817-A820 PolarHBondContact O-N 2.79Å; E817-L821 WeakPolarHBondContact O-CB 3.42Å; E817-L821 PolarHBondContact O-N 3.21Å
818Q96.5Very high94.6Very high0 Ų061.9 Ų61.90%032%0.317CS..Hα-helixtrans-65.9-44.4175.1-67.9-1765.800112.1V781 Y789 L810 D815 A820 L821 A822V781-Q818 PolarHBondContact O-NE2 2.83Å; Y789-Q818 HydrophobicContact CE1-CG 4.27Å; Y789-Q818 HydrophobicContact CE2-CG 4.26Å; Y789-Q818 VanDerWaalsContact OH-CG 3.3Å; Y789-Q818 WeakPolarHBondContact OH-CG 3.44Å; Y789-Q818 PolarHBondContact OH-NE2 2.96Å; L810-Q818 HydrophobicContact CB-CB 4.38Å; L810-Q818 HydrophobicContact CD2-CB 3.64Å; L810-Q818 HydrophobicContact CD2-CG 3.83Å; L810-Q818 WeakPolarHBondContact O-CB 3.3Å; D815-Q818 HydrophobicContact CB-CB 4.06Å; D815-Q818 HydrophobicContact CB-CG 4.04Å; D815-Q818 PolarHBondContact O-N 2.84Å; D815-Q818 WeakPolarHBondContact OD1-CG 3.33Å; D815-Q818 PolarHBondContact OD1-N 2.92Å; Q818-A820 VanDerWaalsContact C-N 3.33Å; Q818-A820 PolarHBondContact O-N 2.72Å; Q818-L821 WeakPolarHBondContact O-CB 3.36Å; Q818-L821 PolarHBondContact O-N 2.73Å; Q818-L821 VanDerWaalsContact O-N 3.11Å; Q818-A822 PolarHBondContact O-N 3.13Å
819Q96.2Very high94.6Very high58 Ų5861.3 Ų61.327%0.27131%0.31SS..Hα-helixtrans-60.4-43.1174.5-73.1-176.2-18.500112.2M811 D815 L821 R823M811-Q819 HydrophobicContact CE-CB 4.26Å; M811-Q819 HydrophobicContact CE-CG 3.93Å; M811-Q819 HydrophobicContact SD-CG 3.96Å; D815-Q819 WeakPolarHBondContact O-CB 3.44Å; D815-Q819 WeakPolarHBondContact O-CG 3.26Å; D815-Q819 PolarHBondContact O-N 2.84Å; Q819-L821 VanDerWaalsContact C-N 3.33Å; Q819-L821 PolarHBondContact O-N 3Å; Q819-R823 WeakPolarHBondContact O-CG 3.43Å; Q819-R823 PolarHBondContact O-N 2.87Å; Q819-R823 VanDerWaalsContact O-N 3.13Å
820A95.9Very high94.5Very high39 Ų3960 Ų6032%0.32230%0.304SS..Hα-helixtrans-65.5-37.1174.700000111.9P816 E817 Q818 R824P816-A820 VanDerWaalsContact O-CB 3.22Å; P816-A820 WeakPolarHBondContact O-CB 3.33Å; P816-A820 PolarHBondContact O-N 3.43Å; E817-A820 PolarHBondContact O-N 2.79Å; Q818-A820 VanDerWaalsContact C-N 3.33Å; Q818-A820 PolarHBondContact O-N 2.72Å; A820-R824 WeakPolarHBondContact O-CB 3.46Å; A820-R824 VanDerWaalsContact O-CG 3.26Å; A820-R824 WeakPolarHBondContact O-CG 3.49Å; A820-R824 PolarHBondContact O-N 3.05Å; A820-R824 PolarHBondContact O-NH1 3.42Å
821L96.6Very high94.1Very high1 Ų167 Ų671%0.00534%0.337CS..Hα-helixtrans-62.6-51.2176.6176.361.9000111.6Y789 V792 E793 L810 E817 Q818 Q819 R823 R824 C825Y789-L821 HydrophobicContact CG-CD2 4.38Å; V792-L821 HydrophobicContact CB-CD2 4.08Å; V792-L821 HydrophobicContact CG1-CD2 3.81Å; E793-L821 HydrophobicContact CB-CD1 3.82Å; E793-L821 HydrophobicContact CG-CD1 4.03Å; L810-L821 HydrophobicContact CD2-CD2 4.34Å; E817-L821 WeakPolarHBondContact O-CB 3.42Å; E817-L821 PolarHBondContact O-N 3.21Å; Q818-L821 WeakPolarHBondContact O-CB 3.36Å; Q818-L821 PolarHBondContact O-N 2.73Å; Q818-L821 VanDerWaalsContact O-N 3.11Å; Q819-L821 VanDerWaalsContact C-N 3.33Å; Q819-L821 PolarHBondContact O-N 3Å; L821-R823 PolarHBondContact O-N 2.95Å; L821-R824 PolarHBondContact O-N 3.45Å; L821-C825 PolarHBondContact O-N 3.1Å; L821-C825 PolarHBondContact O-SG 3.21Å; L821-C825 VanDerWaalsContact O-SG 3.35Å
822A96.6Very high93.7Very high0 Ų069.4 Ų69.40%035%0.348CS..Hα-helixtrans-55.9-49.2177.100000112Y807 L810 M811 Q818 R824 C825 L826 I845Y807-A822 HydrophobicContact CD1-CB 3.94Å; Y807-A822 HydrophobicContact CE1-CB 4.4Å; Y807-A822 WeakPolarHBondContact CE1-O 3.4Å; L810-A822 HydrophobicContact CB-CB 4.25Å; L810-A822 HydrophobicContact CD1-CB 3.99Å; M811-A822 HydrophobicContact CE-CB 3.32Å; M811-A822 HydrophobicContact SD-CB 4.44Å; Q818-A822 PolarHBondContact O-N 3.13Å; A822-R824 VanDerWaalsContact C-N 3.31Å; A822-R824 PolarHBondContact O-N 3.28Å; A822-C825 PolarHBondContact O-N 3.2Å; A822-L826 PolarHBondContact O-N 3.3Å; A822-I845 HydrophobicContact CB-CD1 4.25Å
823R96.1Very high93.5Very high132 Ų13265.1 Ų65.150%0.49832%0.32SS..Hα-helixtrans-61.6-38.8179.8-70.7173.5-175.5-134.3-6.1112.2Q819 L821 T827 I845Q819-R823 WeakPolarHBondContact O-CG 3.43Å; Q819-R823 PolarHBondContact O-N 2.87Å; Q819-R823 VanDerWaalsContact O-N 3.13Å; L821-R823 PolarHBondContact O-N 2.95Å; R823-T827 WeakPolarHBondContact O-CB 3.16Å; R823-T827 PolarHBondContact O-N 2.85Å; R823-T827 VanDerWaalsContact O-N 3.07Å; R823-T827 PolarHBondContact O-OG1 2.8Å; R823-I845 HydrophobicContact CG-CG2 3.62Å; R823-I845 PolarHBondContact NH2-O 3.3Å; R823-I845 VanDerWaalsContact NH2-O 3.11Å
824R96.4Very high93.3Very high119 Ų11961.6 Ų61.645%0.44930%0.304SS..Hα-helixtrans-64.7-49.1174.6-75.6-170.2-44.6-88.74.5111.4A820 L821 A822 T827 L828A820-R824 WeakPolarHBondContact O-CB 3.46Å; A820-R824 VanDerWaalsContact O-CG 3.26Å; A820-R824 WeakPolarHBondContact O-CG 3.49Å; A820-R824 PolarHBondContact O-N 3.05Å; A820-R824 PolarHBondContact O-NH1 3.42Å; L821-R824 PolarHBondContact O-N 3.45Å; A822-R824 VanDerWaalsContact C-N 3.31Å; A822-R824 PolarHBondContact O-N 3.28Å; R824-T827 WeakPolarHBondContact O-CB 3.38Å; R824-T827 PolarHBondContact O-N 2.93Å; R824-L828 WeakPolarHBondContact O-CG 3.48Å; R824-L828 PolarHBondContact O-N 3.3Å
825C96Very high92.8Very high0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-58.7-49.7178.6-680000111.3L796 Y807 L821 A822 T827 L828 V829L796-C825 HydrophobicContact CB-CB 4.11Å; L796-C825 HydrophobicContact CD1-CB 3.98Å; Y807-C825 HydrophobicContact CE1-CB 4.04Å; Y807-C825 WeakPolarHBondContact OH-CB 3.3Å; L821-C825 PolarHBondContact O-N 3.1Å; L821-C825 PolarHBondContact O-SG 3.21Å; L821-C825 VanDerWaalsContact O-SG 3.35Å; A822-C825 PolarHBondContact O-N 3.2Å; C825-T827 VanDerWaalsContact C-N 3.3Å; C825-T827 PolarHBondContact O-N 3.5Å; C825-L828 WeakPolarHBondContact O-CB 3.46Å; C825-L828 PolarHBondContact O-N 3.47Å; C825-V829 WeakPolarHBondContact O-CG2 3.48Å; C825-V829 PolarHBondContact O-N 3.13Å
826L95.3Very high92.1Very high15 Ų1557.8 Ų57.88%0.07929%0.29CS..Hα-helixtrans-56.8-45.5177.6176.262.9000111Y807 A822 L828 V829 Q830 M833 V841 E842 I845Y807-L826 HydrophobicContact CE1-CB 4.13Å; Y807-L826 PolarHBondContact OH-N 3.33Å; A822-L826 PolarHBondContact O-N 3.3Å; L826-L828 PolarHBondContact O-N 2.79Å; L826-L828 VanDerWaalsContact O-N 3.16Å; L826-V829 PolarHBondContact O-N 3.01Å; L826-V829 VanDerWaalsContact O-N 3.17Å; L826-Q830 HydrophobicContact CD1-CB 3.9Å; L826-Q830 HydrophobicContact CG-CB 4.34Å; L826-Q830 WeakPolarHBondContact O-CA 3.39Å; L826-Q830 WeakPolarHBondContact O-CB 3.5Å; L826-Q830 WeakPolarHBondContact O-CG 3.45Å; L826-Q830 PolarHBondContact O-N 3.39Å; L826-M833 HydrophobicContact CD1-SD 3.82Å; L826-V841 HydrophobicContact CD1-CG1 3.93Å; L826-V841 HydrophobicContact CD2-CG1 4.3Å; L826-E842 HydrophobicContact CD2-CG 4.01Å; L826-I845 HydrophobicContact CB-CD1 4.04Å; L826-I845 HydrophobicContact CD2-CD1 3.72Å; L826-I845 HydrophobicContact CG-CD1 4.46Å
827T95.4Very high91.7Very high94 Ų9453.5 Ų53.558%0.57726%0.262SS*.Hα-helixtrans-57.4-33.7178.9-58.10000112.4R823 R824 C825R823-T827 WeakPolarHBondContact O-CB 3.16Å; R823-T827 PolarHBondContact O-N 2.85Å; R823-T827 VanDerWaalsContact O-N 3.07Å; R823-T827 PolarHBondContact O-OG1 2.8Å; R824-T827 WeakPolarHBondContact O-CB 3.38Å; R824-T827 PolarHBondContact O-N 2.93Å; C825-T827 VanDerWaalsContact C-N 3.3Å; C825-T827 PolarHBondContact O-N 3.5Å
828L93.8Very high91.4Very high114 Ų11450.6 Ų50.660%0.59725%0.246SC*.Hα-helixtrans-76.6-34-179.5-68.5170.1000113.1L797 R824 C825 L826L797-L828 HydrophobicContact CD1-CD1 4.35Å; L797-L828 HydrophobicContact CD2-CB 3.89Å; L797-L828 HydrophobicContact CD2-CD1 3.95Å; R824-L828 WeakPolarHBondContact O-CG 3.48Å; R824-L828 PolarHBondContact O-N 3.3Å; C825-L828 WeakPolarHBondContact O-CB 3.46Å; C825-L828 PolarHBondContact O-N 3.47Å; L826-L828 PolarHBondContact O-N 2.79Å; L826-L828 VanDerWaalsContact O-N 3.16Å
829V92.2Very high90.9Very high6 Ų657.2 Ų57.24%0.03627%0.271CS..Hα-helixtrans-113.2-9.4-171.7-59.40000115.1L797 C825 L826 E831 E832 M833L797-V829 HydrophobicContact CD2-CG1 3.54Å; C825-V829 WeakPolarHBondContact O-CG2 3.48Å; C825-V829 PolarHBondContact O-N 3.13Å; L826-V829 PolarHBondContact O-N 3.01Å; L826-V829 VanDerWaalsContact O-N 3.17Å; V829-E831 PolarHBondContact O-N 3.01Å; V829-E832 PolarHBondContact O-N 3.12Å; V829-M833 HydrophobicContact CB-CG 4.14Å; V829-M833 HydrophobicContact CG2-CG 3.76Å; V829-M833 HydrophobicContact CG2-SD 3.58Å; V829-M833 VanDerWaalsContact CG2-SD 3.58Å; V829-M833 WeakPolarHBondContact O-CG 3.47Å; V829-M833 PolarHBondContact O-N 3.17Å
830Q90.7Very high90.5Very high53 Ų5355.2 Ų55.225%0.24826%0.263CS..THydrogen-bonded Turntrans-52.8-30.2-174.161-179.9-13.200114.8L826 R838L826-Q830 HydrophobicContact CD1-CB 3.9Å; L826-Q830 HydrophobicContact CG-CB 4.34Å; L826-Q830 WeakPolarHBondContact O-CA 3.39Å; L826-Q830 WeakPolarHBondContact O-CB 3.5Å; L826-Q830 WeakPolarHBondContact O-CG 3.45Å; L826-Q830 PolarHBondContact O-N 3.39Å; Q830-R838 VanDerWaalsContact O-CD 3.32Å; Q830-R838 WeakPolarHBondContact O-CD 3.23Å; Q830-R838 PolarHBondContact O-NH1 2.73Å
831E86.6Confident90.2Very high148 Ų14853.4 Ų53.469%0.69225%0.248SC*.THydrogen-bonded Turntrans-80-23.7179.3-65.5-59.6118.700112.7V829 R838V829-E831 PolarHBondContact O-N 3.01Å; E831-R838 IonicContact OE1-CZ 3.68Å; E831-R838 IonicContact OE1-NH1 3.58Å; E831-R838 PolarHBondContact OE1-NH1 3.29Å; E831-R838 IonicContact OE1-NH2 2.73Å
832E86.4Confident90Very high76 Ų7656.3 Ų56.336%0.35526%0.262SS..THydrogen-bonded Turntrans-96.4-26-179.9-62.2179.5-179.400112.1G462 V829G462-E832 WeakPolarHBondContact CA-O 3.48Å; V829-E832 PolarHBondContact O-N 3.12Å
833M88.3Confident89.7Confident18 Ų1862.4 Ų62.49%0.08929%0.29CS..SBendtrans-58.8144.6178.5-79.5-178.176.800112.3Q800 L826 V829 Q835 A837 R838 V841Q800-M833 VanDerWaalsContact OE1-CG 3.23Å; L826-M833 HydrophobicContact CD1-SD 3.82Å; V829-M833 HydrophobicContact CB-CG 4.14Å; V829-M833 HydrophobicContact CG2-CG 3.76Å; V829-M833 HydrophobicContact CG2-SD 3.58Å; V829-M833 VanDerWaalsContact CG2-SD 3.58Å; V829-M833 WeakPolarHBondContact O-CG 3.47Å; V829-M833 PolarHBondContact O-N 3.17Å; M833-Q835 PolarHBondContact O-N 2.83Å; M833-A837 HydrophobicContact CE-CB 4.28Å; M833-R838 HydrophobicContact CB-CB 4.22Å; M833-V841 HydrophobicContact CE-CB 4.2Å; M833-V841 HydrophobicContact CE-CG2 3.85Å
834D84.3Confident89.4Confident11 Ų1159.2 Ų59.26%0.05928%0.281CS..  trans-53.5130.8167.4-168.8-48.1000110.6R219 G462 S464 S836 A837 R838R219-D834 VanDerWaalsContact CZ-CG 3.48Å; R219-D834 IonicContact CZ-OD1 2.78Å; R219-D834 VanDerWaalsContact CZ-OD1 3.23Å; R219-D834 IonicContact CZ-OD2 3.96Å; R219-D834 VanDerWaalsContact CZ-OD2 3.3Å; R219-D834 IonicContact NH1-OD1 3.26Å; R219-D834 PolarHBondContact NH1-OD1 3.41Å; R219-D834 IonicContact NH1-OD2 2.64Å; R219-D834 PolarHBondContact NH1-OD2 3.1Å; R219-D834 IonicContact NH2-OD1 3.7Å; R219-D834 PolarHBondContact NH2-OD1 3.12Å; R219-D834 IonicContact NH2-OD2 3.12Å; R219-D834 PolarHBondContact NH2-OD2 3.09Å; G462-D834 PolarHBondContact O-N 3.11Å; S464-D834 PolarHBondContact OG-OD2 3.17Å; D834-S836 VanDerWaalsContact C-N 3.27Å; D834-S836 PolarHBondContact O-N 3.43Å; D834-S836 PolarHBondContact OD1-N 3.24Å; D834-S836 PolarHBondContact OD1-OG 3.05Å; D834-A837 HydrophobicContact CB-CB 4.1Å; D834-A837 PolarHBondContact O-N 3.28Å; D834-A837 VanDerWaalsContact O-N 3.14Å; D834-R838 WeakPolarHBondContact O-CB 3.38Å; D834-R838 PolarHBondContact O-N 2.92Å
835Q81.4Confident89.1Confident75 Ų7554.3 Ų54.335%0.3526%0.264SS..Hα-helixtrans-52.4-38.8179.4-169.7-179.529.500114.1M833 R839M833-Q835 PolarHBondContact O-N 2.83Å; Q835-R839 WeakPolarHBondContact O-CG 3.28Å; Q835-R839 PolarHBondContact O-N 3.29Å; Q835-R839 VanDerWaalsContact O-N 3.07Å
836S79.9Confident88.3Confident41 Ų4163.6 Ų63.629%0.28731%0.312SS..Hα-helixtrans-67.9-47.3178.259.60000110.8D834 R838 R839 V840D834-S836 VanDerWaalsContact C-N 3.27Å; D834-S836 PolarHBondContact O-N 3.43Å; D834-S836 PolarHBondContact OD1-N 3.24Å; D834-S836 PolarHBondContact OD1-OG 3.05Å; S836-R838 VanDerWaalsContact C-N 3.33Å; S836-R838 PolarHBondContact O-N 3.19Å; S836-R839 PolarHBondContact O-N 2.88Å; S836-V840 WeakPolarHBondContact O-CG2 3.07Å; S836-V840 PolarHBondContact O-N 3.16Å
837A85.6Confident87.9Confident5 Ų566 Ų664%0.04132%0.324CS..Hα-helixtrans-61.9-40.6175.900000112.1V804 M833 D834 V840 V841V804-A837 HydrophobicContact CG2-CB 3.97Å; M833-A837 HydrophobicContact CE-CB 4.28Å; D834-A837 HydrophobicContact CB-CB 4.1Å; D834-A837 PolarHBondContact O-N 3.28Å; D834-A837 VanDerWaalsContact O-N 3.14Å; A837-V840 PolarHBondContact O-N 3.03Å; A837-V841 WeakPolarHBondContact O-CG2 3.39Å; A837-V841 PolarHBondContact O-N 3.34Å
838R88.7Confident87.5Confident57 Ų5764.5 Ų64.522%0.21531%0.311CS..Hα-helixtrans-59.8-48.7176.9-179.6-173.2174.3149.6-1.3111.2Q830 E831 M833 D834 S836 V840 V841 E842Q830-R838 VanDerWaalsContact O-CD 3.32Å; Q830-R838 WeakPolarHBondContact O-CD 3.23Å; Q830-R838 PolarHBondContact O-NH1 2.73Å; E831-R838 IonicContact OE1-CZ 3.68Å; E831-R838 IonicContact OE1-NH1 3.58Å; E831-R838 PolarHBondContact OE1-NH1 3.29Å; E831-R838 IonicContact OE1-NH2 2.73Å; M833-R838 HydrophobicContact CB-CB 4.22Å; D834-R838 WeakPolarHBondContact O-CB 3.38Å; D834-R838 PolarHBondContact O-N 2.92Å; S836-R838 VanDerWaalsContact C-N 3.33Å; S836-R838 PolarHBondContact O-N 3.19Å; R838-V840 VanDerWaalsContact C-N 3.33Å; R838-V840 PolarHBondContact O-N 3.45Å; R838-V841 PolarHBondContact O-N 3.14Å; R838-E842 HydrophobicContact CG-CG 4.27Å; R838-E842 IonicContact CZ-OE1 3.24Å; R838-E842 IonicContact NE-OE1 3.99Å; R838-E842 PolarHBondContact NE-OE1 3.33Å; R838-E842 IonicContact NH2-OE1 3.77Å; R838-E842 PolarHBondContact NH2-OE1 3.4Å; R838-E842 VanDerWaalsContact NH2-OE1 3.14Å; R838-E842 WeakPolarHBondContact O-CB 3.41Å; R838-E842 WeakPolarHBondContact O-CG 3.49Å; R838-E842 PolarHBondContact O-N 3.4Å
839R86.6Confident87.2Confident139 Ų13961.8 Ų61.853%0.52530%0.295SS..Hα-helixtrans-57.9-47.1179-74.3178.3-167.2175.76.9111.2Q835 S836 V841 E842 E843Q835-R839 WeakPolarHBondContact O-CG 3.28Å; Q835-R839 PolarHBondContact O-N 3.29Å; Q835-R839 VanDerWaalsContact O-N 3.07Å; S836-R839 PolarHBondContact O-N 2.88Å; R839-V841 PolarHBondContact O-N 2.75Å; R839-E842 PolarHBondContact O-N 3.37Å; R839-E843 WeakPolarHBondContact O-CG 3.12Å; R839-E843 PolarHBondContact O-N 3.05Å
840V87.5Confident86.9Confident17 Ų1765.1 Ų65.110%0.10331%0.31CS..Hα-helixtrans-62.5-43.5178.2172.70000111.8P600 F604 V804 S836 A837 R838 E843 M844P600-V840 HydrophobicContact CB-CG2 4.44Å; F604-V840 HydrophobicContact CE2-CB 4.09Å; F604-V840 HydrophobicContact CE2-CG1 4.04Å; F604-V840 HydrophobicContact CE2-CG2 3.52Å; F604-V840 HydrophobicContact CZ-CB 4.12Å; F604-V840 HydrophobicContact CZ-CG1 4.19Å; F604-V840 HydrophobicContact CZ-CG2 3.95Å; V804-V840 HydrophobicContact CG1-CG1 4.46Å; S836-V840 WeakPolarHBondContact O-CG2 3.07Å; S836-V840 PolarHBondContact O-N 3.16Å; A837-V840 PolarHBondContact O-N 3.03Å; R838-V840 VanDerWaalsContact C-N 3.33Å; R838-V840 PolarHBondContact O-N 3.45Å; V840-E843 PolarHBondContact O-N 2.89Å; V840-M844 HydrophobicContact CG1-CE 3.47Å; V840-M844 VanDerWaalsContact CG1-CE 3.47Å; V840-M844 HydrophobicContact CG1-SD 4.23Å; V840-M844 VanDerWaalsContact O-CG 3.29Å; V840-M844 WeakPolarHBondContact O-CG 3.35Å; V840-M844 PolarHBondContact O-N 3.29Å
841V90.9Very high86.7Confident0 Ų065.8 Ų65.80%031%0.314CS..Hα-helixtrans-67.8-38.2177.2172.80000112V804 Y807 L826 M833 A837 R838 R839 E843 M844 I845V804-V841 HydrophobicContact CG1-CG2 3.88Å; Y807-V841 HydrophobicContact CD1-CG1 3.73Å; Y807-V841 HydrophobicContact CD2-CB 4.33Å; Y807-V841 HydrophobicContact CD2-CG1 3.61Å; Y807-V841 HydrophobicContact CD2-CG2 3.65Å; Y807-V841 HydrophobicContact CE1-CG1 4.05Å; Y807-V841 HydrophobicContact CE2-CG1 3.93Å; Y807-V841 HydrophobicContact CE2-CG2 4.18Å; Y807-V841 HydrophobicContact CG-CB 4.49Å; Y807-V841 HydrophobicContact CG-CG1 3.49Å; Y807-V841 VanDerWaalsContact CG-CG1 3.49Å; Y807-V841 HydrophobicContact CG-CG2 4.16Å; L826-V841 HydrophobicContact CD1-CG1 3.93Å; L826-V841 HydrophobicContact CD2-CG1 4.3Å; M833-V841 HydrophobicContact CE-CB 4.2Å; M833-V841 HydrophobicContact CE-CG2 3.85Å; A837-V841 WeakPolarHBondContact O-CG2 3.39Å; A837-V841 PolarHBondContact O-N 3.34Å; R838-V841 PolarHBondContact O-N 3.14Å; R839-V841 PolarHBondContact O-N 2.75Å; V841-E843 VanDerWaalsContact C-N 3.35Å; V841-M844 PolarHBondContact O-N 2.72Å; V841-I845 HydrophobicContact CG1-CD1 3.74Å; V841-I845 HydrophobicContact CG1-CG1 4.46Å; V841-I845 VanDerWaalsContact O-CG1 3.32Å; V841-I845 WeakPolarHBondContact O-CG1 3.37Å; V841-I845 PolarHBondContact O-N 3.42Å; V841-I845 VanDerWaalsContact O-N 3.16Å
842E92.3Very high86.7Confident63 Ų6360.3 Ų60.329%0.29429%0.289SS..Hα-helixtrans-60.8-45.3173.7-76.5174.1168.200110.4L826 R838 R839 M844 I845 L846L826-E842 HydrophobicContact CD2-CG 4.01Å; R838-E842 HydrophobicContact CG-CG 4.27Å; R838-E842 IonicContact CZ-OE1 3.24Å; R838-E842 IonicContact NE-OE1 3.99Å; R838-E842 PolarHBondContact NE-OE1 3.33Å; R838-E842 IonicContact NH2-OE1 3.77Å; R838-E842 PolarHBondContact NH2-OE1 3.4Å; R838-E842 VanDerWaalsContact NH2-OE1 3.14Å; R838-E842 WeakPolarHBondContact O-CB 3.41Å; R838-E842 WeakPolarHBondContact O-CG 3.49Å; R838-E842 PolarHBondContact O-N 3.4Å; R839-E842 PolarHBondContact O-N 3.37Å; E842-M844 PolarHBondContact O-N 3.23Å; E842-I845 PolarHBondContact O-N 3.36Å; E842-L846 VanDerWaalsContact O-CG 3.22Å; E842-L846 WeakPolarHBondContact O-CG 3.39Å; E842-L846 PolarHBondContact O-N 3.1Å; E842-L846 VanDerWaalsContact O-N 3.11Å
843E89.7Confident86.7Confident128 Ų12859.2 Ų59.260%0.59828%0.284SS*.Hα-helixtrans-61.6-38.6175.4-74.3171.4-170.200113.1R839 V840 V841 I845R839-E843 WeakPolarHBondContact O-CG 3.12Å; R839-E843 PolarHBondContact O-N 3.05Å; V840-E843 PolarHBondContact O-N 2.89Å; V841-E843 VanDerWaalsContact C-N 3.35Å; E843-I845 VanDerWaalsContact C-N 3.32Å; E843-I845 PolarHBondContact O-N 3.11Å
844M90.4Very high86.6Confident64 Ų6462.4 Ų62.432%0.31530%0.299SS..Hα-helixtrans-65.9-31.9176.2-71.7170.5179.500113.1M811 V840 V841 E842M811-M844 WeakPolarHBondContact CG-O 2.81Å; V840-M844 HydrophobicContact CG1-CE 3.47Å; V840-M844 VanDerWaalsContact CG1-CE 3.47Å; V840-M844 HydrophobicContact CG1-SD 4.23Å; V840-M844 VanDerWaalsContact O-CG 3.29Å; V840-M844 WeakPolarHBondContact O-CG 3.35Å; V840-M844 PolarHBondContact O-N 3.29Å; V841-M844 PolarHBondContact O-N 2.72Å; E842-M844 PolarHBondContact O-N 3.23Å
845I89.9Confident86.8Confident16 Ų1666.7 Ų66.78%0.08232%0.319CS..Hα-helixtrans-91.1-23.4-172.6-70.2175.7000113.1Y807 M811 A822 R823 L826 V841 E842 E843Y807-I845 HydrophobicContact CD1-CD1 3.76Å; Y807-I845 HydrophobicContact CE1-CD1 4.22Å; M811-I845 HydrophobicContact SD-CG1 4.26Å; A822-I845 HydrophobicContact CB-CD1 4.25Å; R823-I845 HydrophobicContact CG-CG2 3.62Å; R823-I845 PolarHBondContact NH2-O 3.3Å; R823-I845 VanDerWaalsContact NH2-O 3.11Å; L826-I845 HydrophobicContact CB-CD1 4.04Å; L826-I845 HydrophobicContact CD2-CD1 3.72Å; L826-I845 HydrophobicContact CG-CD1 4.46Å; V841-I845 HydrophobicContact CG1-CD1 3.74Å; V841-I845 HydrophobicContact CG1-CG1 4.46Å; V841-I845 VanDerWaalsContact O-CG1 3.32Å; V841-I845 WeakPolarHBondContact O-CG1 3.37Å; V841-I845 PolarHBondContact O-N 3.42Å; V841-I845 VanDerWaalsContact O-N 3.16Å; E842-I845 PolarHBondContact O-N 3.36Å; E843-I845 VanDerWaalsContact C-N 3.32Å; E843-I845 PolarHBondContact O-N 3.11Å
846L78.3Confident87.3Confident195 Ų19565.9 Ų65.9100%1.02132%0.316SS*.  trans-650176-77.2171.4000111.2E842E842-L846 VanDerWaalsContact O-CG 3.22Å; E842-L846 WeakPolarHBondContact O-CG 3.39Å; E842-L846 PolarHBondContact O-N 3.1Å; E842-L846 VanDerWaalsContact O-N 3.11Å

Retrieved 846 of 846 residues in 425.4 ms (Link to these results)

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