A0A087X0V5_HUMAN Loading...

2'-5' oligoadenylate synthase

AlphaFold DB , UniProt , Accession A0A087X0V5, Species HUMAN (Homo sapiens, Human), Gene OAS2, Length 647 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
1M78.2Confident86.4Confident64 Ų6445.4 Ų45.432%0.31524%0.236SC..  0-63.20-167.2149.83700111.7T4 I5 L78 N81 V95 F96 T97M1-T4 PolarHBondContact N-OG1 3.2Å; M1-T4 VanDerWaalsContact O-CB 3.32Å; M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 2.63Å; M1-I5 HydrophobicContact CG-CD1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 3.42Å; M1-L78 HydrophobicContact CG-CD2 4.23Å; M1-L78 HydrophobicContact SD-CD2 3.9Å; M1-N81 HydrophobicContact CE-CB 4.02Å; M1-N81 HydrophobicContact SD-CB 3.54Å; M1-N81 VanDerWaalsContact SD-CB 3.54Å; M1-V95 HydrophobicContact CB-CG1 4.33Å; M1-V95 HydrophobicContact CE-CG1 3.5Å; M1-V95 VanDerWaalsContact CE-CG1 3.5Å; M1-V95 HydrophobicContact CG-CG1 3.65Å; M1-V95 HydrophobicContact SD-CG1 3.67Å; M1-F96 VanDerWaalsContact CE-O 3.29Å; M1-F96 WeakPolarHBondContact CE-O 3.49Å; M1-T97 HydrophobicContact CE-CG2 4.46Å
2V83.8Confident86.4Confident9 Ų949.9 Ų49.96%0.05527%0.271CS..Hα-helixtrans-60.7-46.7173.8-178.70000111.3T4 I5 C6 I23 Y27 F104V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.45Å; V2-I5 WeakPolarHBondContact O-CB 3.31Å; V2-I5 PolarHBondContact O-N 3.49Å; V2-I5 VanDerWaalsContact O-N 3.1Å; V2-C6 PolarHBondContact O-N 2.99Å; V2-C6 PolarHBondContact O-SG 2.97Å; V2-I23 HydrophobicContact CG1-CD1 4.2Å; V2-Y27 HydrophobicContact CB-CE1 4.34Å; V2-Y27 HydrophobicContact CG1-CE1 4.06Å; V2-Y27 HydrophobicContact CG2-CE1 4.35Å; V2-F104 HydrophobicContact CB-CZ 4.35Å; V2-F104 HydrophobicContact CG1-CE1 4.08Å; V2-F104 HydrophobicContact CG1-CE2 4.43Å; V2-F104 HydrophobicContact CG1-CZ 3.85Å; V2-F104 HydrophobicContact CG2-CE2 3.58Å; V2-F104 HydrophobicContact CG2-CZ 3.52Å
3N85.3Confident86.3Confident106 Ų10659.6 Ų59.657%0.56731%0.313SS*.Hα-helixtrans-55.7-46.5172.6-63.52.6000111.5I5 C6 D7N3-I5 VanDerWaalsContact C-N 3.29Å; N3-I5 PolarHBondContact O-N 3.18Å; N3-C6 CarbonylContact O-C 3.04Å; N3-C6 WeakPolarHBondContact O-CA 3.23Å; N3-C6 WeakPolarHBondContact O-CB 3Å; N3-C6 PolarHBondContact O-N 2.87Å; N3-D7 PolarHBondContact O-N 2.81Å
4T84.6Confident86.2Confident57 Ų5760.2 Ų60.235%0.3531%0.313SS..Hα-helixtrans-57.3-39.1176.5-41.30000113.2M1 V2 V8 L78M1-T4 PolarHBondContact N-OG1 3.2Å; M1-T4 VanDerWaalsContact O-CB 3.32Å; M1-T4 WeakPolarHBondContact O-CB 3.46Å; M1-T4 PolarHBondContact O-N 2.63Å; V2-T4 VanDerWaalsContact C-N 3.31Å; V2-T4 PolarHBondContact O-N 3.45Å; T4-V8 VanDerWaalsContact O-CG2 3.24Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.24Å; T4-L78 HydrophobicContact CG2-CD1 4.3Å
5I86.9Confident86.5Confident2 Ų256.7 Ų56.71%0.0130%0.295CS..Hα-helixtrans-66.6-42.5175.1-68.4161.9000110M1 V2 N3 V8 L9 L41 L69 L73 I93 V95M1-I5 HydrophobicContact CG-CD1 4.49Å; M1-I5 WeakPolarHBondContact O-CG1 3.35Å; M1-I5 PolarHBondContact O-N 3.42Å; V2-I5 WeakPolarHBondContact O-CB 3.31Å; V2-I5 PolarHBondContact O-N 3.49Å; V2-I5 VanDerWaalsContact O-N 3.1Å; N3-I5 VanDerWaalsContact C-N 3.29Å; N3-I5 PolarHBondContact O-N 3.18Å; I5-V8 PolarHBondContact O-N 3.21Å; I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 WeakPolarHBondContact O-CB 3.22Å; I5-L9 WeakPolarHBondContact O-CD1 3.42Å; I5-L9 WeakPolarHBondContact O-CG 3.12Å; I5-L9 PolarHBondContact O-N 3.38Å; I5-L41 HydrophobicContact CG2-CD1 4.33Å; I5-L69 HydrophobicContact CG2-CD2 4.3Å; I5-L73 HydrophobicContact CG1-CD1 4.17Å; I5-L73 HydrophobicContact CG1-CD2 4.07Å; I5-I93 HydrophobicContact CD1-CG2 4.17Å; I5-I93 HydrophobicContact CG2-CD1 3.97Å; I5-V95 HydrophobicContact CD1-CG2 3.87Å
6C88.7Confident86.5Confident9 Ų959.2 Ų59.26%0.06132%0.315CS..Hα-helixtrans-63.3-44.2176-59.30000111.4V2 N3 V8 L9 Q10 V21V2-C6 PolarHBondContact O-N 2.99Å; V2-C6 PolarHBondContact O-SG 2.97Å; N3-C6 CarbonylContact O-C 3.04Å; N3-C6 WeakPolarHBondContact O-CA 3.23Å; N3-C6 WeakPolarHBondContact O-CB 3Å; N3-C6 PolarHBondContact O-N 2.87Å; C6-V8 VanDerWaalsContact C-N 3.34Å; C6-V8 PolarHBondContact O-N 3.2Å; C6-L9 PolarHBondContact O-N 3.5Å; C6-Q10 WeakPolarHBondContact O-CG 3.35Å; C6-Q10 PolarHBondContact O-N 3.23Å; C6-V21 HydrophobicContact CB-CG1 4.32Å
7D87.8Confident86.6Confident91 Ų9159.9 Ų59.949%0.48732%0.319SS..Hα-helixtrans-58.7-46.7178-58.4-28.8000110.3N3 L9 Q10 E11N3-D7 PolarHBondContact O-N 2.81Å; D7-L9 PolarHBondContact O-N 3Å; D7-Q10 PolarHBondContact O-N 3.19Å; D7-E11 PolarHBondContact O-N 3.09Å
8V88.4Confident86.9Confident2 Ų257.3 Ų57.31%0.01231%0.305CS..Hα-helixtrans-60.7-44.1176170.20000111.6T4 I5 C6 Q10 E11 F15 L69 C72 L73 K76T4-V8 VanDerWaalsContact O-CG2 3.24Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3.24Å; I5-V8 PolarHBondContact O-N 3.21Å; C6-V8 VanDerWaalsContact C-N 3.34Å; C6-V8 PolarHBondContact O-N 3.2Å; V8-Q10 PolarHBondContact O-N 2.99Å; V8-E11 WeakPolarHBondContact O-CB 3.3Å; V8-E11 PolarHBondContact O-N 2.83Å; V8-F15 HydrophobicContact CG1-CE2 3.89Å; V8-F15 WeakPolarHBondContact O-CD2 3.49Å; V8-F15 WeakPolarHBondContact O-CE2 3.27Å; V8-L69 HydrophobicContact CB-CD1 4.45Å; V8-L69 HydrophobicContact CG1-CD1 3.76Å; V8-C72 HydrophobicContact CG1-CB 3.92Å; V8-L73 HydrophobicContact CG2-CD2 4.33Å; V8-K76 HydrophobicContact CG2-CD 3.87Å
9L88.9Confident87Confident0 Ų060.9 Ų60.90%032%0.321CS..Hα-helixtrans-67.5-21.4179.1-75.9163.5000113.1I5 C6 D7 F15 V18 V21 L43 T65 L69I5-L9 HydrophobicContact CG2-CD1 3.83Å; I5-L9 WeakPolarHBondContact O-CB 3.22Å; I5-L9 WeakPolarHBondContact O-CD1 3.42Å; I5-L9 WeakPolarHBondContact O-CG 3.12Å; I5-L9 PolarHBondContact O-N 3.38Å; C6-L9 PolarHBondContact O-N 3.5Å; D7-L9 PolarHBondContact O-N 3Å; L9-F15 HydrophobicContact CD2-CD1 4.47Å; L9-F15 HydrophobicContact CD2-CE1 4.3Å; L9-F15 HydrophobicContact CD2-CZ 4.35Å; L9-V18 WeakPolarHBondContact O-CG1 3.48Å; L9-V21 HydrophobicContact CB-CG2 3.82Å; L9-L43 HydrophobicContact CD1-CD2 3.89Å; L9-L43 HydrophobicContact CD2-CD1 4.32Å; L9-L43 HydrophobicContact CD2-CD2 4.36Å; L9-T65 HydrophobicContact CD2-CG2 4.02Å; L9-L69 HydrophobicContact CD1-CD2 4.32Å; L9-L69 HydrophobicContact CD2-CD1 4.03Å; L9-L69 HydrophobicContact CD2-CD2 4.16Å; L9-L69 HydrophobicContact CD2-CG 4.48Å; L9-L69 HydrophobicContact CG-CD1 3.97Å; L9-L69 HydrophobicContact CG-CD2 4.38Å
10Q89.1Confident87.2Confident93 Ų9358.5 Ų58.544%0.43531%0.311SS..THydrogen-bonded Turntrans-92-2.6175.7-69.2-177.315.400113.3C6 D7 V8 P12 V21C6-Q10 WeakPolarHBondContact O-CG 3.35Å; C6-Q10 PolarHBondContact O-N 3.23Å; D7-Q10 PolarHBondContact O-N 3.19Å; V8-Q10 PolarHBondContact O-N 2.99Å; Q10-P12 WeakPolarHBondContact O-CD 3.29Å; Q10-V21 HydrophobicContact CG-CB 4.16Å; Q10-V21 HydrophobicContact CG-CG2 3.69Å
11E89.1Confident87.4Confident66 Ų6656.4 Ų56.431%0.30830%0.3SS..  trans-68.8109.9177-75.9177.1167.800110.4D7 V8 E13 Q14 F15 K76D7-E11 PolarHBondContact O-N 3.09Å; V8-E11 WeakPolarHBondContact O-CB 3.3Å; V8-E11 PolarHBondContact O-N 2.83Å; E11-E13 PolarHBondContact O-N 3.47Å; E11-Q14 HydrophobicContact CB-CB 4.15Å; E11-Q14 HydrophobicContact CB-CG 4.26Å; E11-Q14 PolarHBondContact O-N 3.03Å; E11-F15 PolarHBondContact O-N 3.41Å; E11-K76 IonicContact OE1-NZ 3.66Å; E11-K76 PolarHBondContact OE1-NZ 3.42Å; E11-K76 IonicContact OE2-NZ 3.74Å; E11-K76 PolarHBondContact OE2-NZ 3.44Å
12P85.4Confident88.1Confident100 Ų10053.4 Ų53.465%0.64929%0.286SS*.THydrogen-bonded Turntrans-64.3-29.5-171.9-22.134.6000113.2Q10 Q14 P16Q10-P12 WeakPolarHBondContact O-CD 3.29Å; P12-Q14 VanDerWaalsContact C-N 3.3Å; P12-Q14 PolarHBondContact O-N 3.46Å; P12-P16 VanDerWaalsContact O-CA 3.31Å; P12-P16 WeakPolarHBondContact O-CA 3.42Å; P12-P16 WeakPolarHBondContact O-CB 3.17Å
13E85.6Confident88.5Confident176 Ų17654.2 Ų54.282%0.82229%0.29SS*.THydrogen-bonded Turntrans-66-33.9175.6-62.3-178.6178.800112.1E11E11-E13 PolarHBondContact O-N 3.47Å
14Q85.1Confident88.7Confident68 Ų6849.3 Ų49.332%0.31826%0.264SS..THydrogen-bonded Turntrans-93.5-35.2-178.6-62-60.3-22.800111.8E11 P12 K68E11-Q14 HydrophobicContact CB-CB 4.15Å; E11-Q14 HydrophobicContact CB-CG 4.26Å; E11-Q14 PolarHBondContact O-N 3.03Å; P12-Q14 VanDerWaalsContact C-N 3.3Å; P12-Q14 PolarHBondContact O-N 3.46Å; Q14-K68 WeakPolarHBondContact O-CD 3.32Å; Q14-K68 WeakPolarHBondContact O-CE 3.25Å; Q14-K68 PolarHBondContact O-NZ 2.61Å
15F90.2Very high89Confident8 Ų847.1 Ų47.14%0.03525%0.253CS..  trans-133.769.1-176.1-59.8-84.5000111V8 L9 E11 L17 V18 T65 K68 L69V8-F15 HydrophobicContact CG1-CE2 3.89Å; V8-F15 WeakPolarHBondContact O-CD2 3.49Å; V8-F15 WeakPolarHBondContact O-CE2 3.27Å; L9-F15 HydrophobicContact CD2-CD1 4.47Å; L9-F15 HydrophobicContact CD2-CE1 4.3Å; L9-F15 HydrophobicContact CD2-CZ 4.35Å; E11-F15 PolarHBondContact O-N 3.41Å; F15-L17 PolarHBondContact O-N 2.88Å; F15-L17 VanDerWaalsContact O-N 3.09Å; F15-V18 HydrophobicContact CB-CB 4.04Å; F15-V18 HydrophobicContact CB-CG2 3.85Å; F15-V18 PolarHBondContact O-N 3.2Å; F15-T65 HydrophobicContact CD1-CG2 4Å; F15-T65 HydrophobicContact CE1-CG2 3.93Å; F15-K68 HydrophobicContact CD1-CD 4.49Å; F15-K68 HydrophobicContact CE1-CB 3.98Å; F15-K68 HydrophobicContact CE1-CD 4.09Å; F15-K68 HydrophobicContact CE1-CG 3.99Å; F15-K68 HydrophobicContact CZ-CB 4.32Å; F15-K68 HydrophobicContact CZ-CD 4.42Å; F15-K68 HydrophobicContact CZ-CG 4.05Å; F15-L69 HydrophobicContact CZ-CB 4.14Å; F15-L69 HydrophobicContact CZ-CD1 4.36Å
16P86.2Confident89.2Confident96 Ų9647 Ų4762%0.62325%0.252SS*.THydrogen-bonded Turntrans-64.3-20.6-173.125.4-35.7000114.2P12P12-P16 VanDerWaalsContact O-CA 3.31Å; P12-P16 WeakPolarHBondContact O-CA 3.42Å; P12-P16 WeakPolarHBondContact O-CB 3.17Å
17L89.2Confident89.2Confident71 Ų7150.1 Ų50.137%0.37226%0.263SS..THydrogen-bonded Turntrans-85-16177.5-59.9177000112.9F15 Q19 F45 S46F15-L17 PolarHBondContact O-N 2.88Å; F15-L17 VanDerWaalsContact O-N 3.09Å; L17-Q19 PolarHBondContact O-N 2.76Å; L17-F45 HydrophobicContact CB-CD1 3.91Å; L17-F45 HydrophobicContact CB-CE1 4.37Å; L17-F45 CarbonylContact O-C 3.57Å; L17-F45 VanDerWaalsContact O-CA 3.27Å; L17-F45 WeakPolarHBondContact O-CA 3.14Å; L17-S46 PolarHBondContact O-N 3.16Å; L17-S46 PolarHBondContact O-OG 3.49Å
18V90.8Very high89.4Confident13 Ų1345.9 Ų45.98%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-87.5111.2-179.5-179.70000108.5L9 F15 G20 V21 F44 F45L9-V18 WeakPolarHBondContact O-CG1 3.48Å; F15-V18 HydrophobicContact CB-CB 4.04Å; F15-V18 HydrophobicContact CB-CG2 3.85Å; F15-V18 PolarHBondContact O-N 3.2Å; V18-G20 WeakPolarHBondContact CG1-O 3.44Å; V18-V21 HydrophobicContact CG1-CG2 3.9Å; V18-F44 CarbonylContact C-O 3.55Å; V18-F44 WeakPolarHBondContact CA-O 3.49Å; V18-F45 HydrophobicContact CG2-CD1 4.21Å; V18-F45 HydrophobicContact CG2-CE1 3.68Å; V18-F45 HydrophobicContact CG2-CZ 4.19Å
19Q89.7Confident89.5Confident127 Ų12746.6 Ų46.659%0.59324%0.244SC*.EExtended strand (participates in β ladder)trans-87.1-19.6179-66.4-174.1-32.200113.1L17 F44 S46L17-Q19 PolarHBondContact O-N 2.76Å; Q19-F44 PolarHBondContact N-O 2.85Å; Q19-S46 VanDerWaalsContact CD-CA 3.46Å; Q19-S46 VanDerWaalsContact NE2-CB 3.34Å
20G90.3Very high89.7Confident12 Ų1252.1 Ų52.112%0.12427%0.268CS..EExtended strand (participates in β ladder)trans-174.9162.7-179.400000111.9V18 F44V18-G20 WeakPolarHBondContact CG1-O 3.44Å; G20-F44 PolarHBondContact O-N 2.58Å
21V92.3Very high89.8Confident14 Ų1447.7 Ų47.79%0.08525%0.247CC..EExtended strand (participates in β ladder)trans-133.7125.4178.1-178.90000109C6 L9 Q10 V18 L41 V42 L43C6-V21 HydrophobicContact CB-CG1 4.32Å; L9-V21 HydrophobicContact CB-CG2 3.82Å; Q10-V21 HydrophobicContact CG-CB 4.16Å; Q10-V21 HydrophobicContact CG-CG2 3.69Å; V18-V21 HydrophobicContact CG1-CG2 3.9Å; V21-L41 HydrophobicContact CG1-CD2 4.43Å; V21-V42 CarbonylContact C-O 3.55Å; V21-V42 WeakPolarHBondContact CA-O 3.46Å; V21-L43 HydrophobicContact CB-CD2 4.42Å; V21-L43 HydrophobicContact CG1-CD2 4Å; V21-L43 HydrophobicContact CG2-CD2 3.76Å
22A92Very high89.7Confident2 Ų246.4 Ų46.42%0.01724%0.243CC..EExtended strand (participates in β ladder)trans-111.3145.8173.700000111.3V42 F44 T146 E147A22-V42 HydrophobicContact CB-CB 4.31Å; A22-V42 PolarHBondContact N-O 3.21Å; A22-V42 PolarHBondContact O-N 3.49Å; A22-F44 HydrophobicContact CB-CE2 3.75Å; A22-F44 HydrophobicContact CB-CZ 4.02Å; A22-T146 HydrophobicContact CB-CG2 3.84Å; A22-E147 HydrophobicContact CB-CG 3.52Å
23I92.2Very high89.6Confident26 Ų2642.4 Ų42.413%0.13322%0.217CC..EExtended strand (participates in β ladder)trans-102115.2177.1-54179.4000107.7V2 Y27 G28 L41 F104 Q150V2-I23 HydrophobicContact CG1-CD1 4.2Å; I23-Y27 HydrophobicContact CG2-CD1 3.7Å; I23-Y27 HydrophobicContact CG2-CE1 4.42Å; I23-G28 VanDerWaalsContact O-CA 3.24Å; I23-G28 WeakPolarHBondContact O-CA 3.29Å; I23-L41 HydrophobicContact CG1-CD2 3.98Å; I23-F104 HydrophobicContact CG2-CE1 4.49Å; I23-Q150 PolarHBondContact O-OE1 2.87Å
24G91Very high89.3Confident3 Ų343.2 Ų43.23%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-109.3-166.7-179.900000113.6G28 T40G24-G28 PolarHBondContact O-N 3.15Å; G24-T40 PolarHBondContact N-O 2.7Å; G24-T40 PolarHBondContact O-N 3.05Å
25G90.3Very high88.5Confident11 Ų1143.5 Ų43.511%0.11323%0.234CC..Hα-helixtrans65.4-167.6-177.400000112.8Y27 G28 R29 D38G25-Y27 PolarHBondContact O-N 2.96Å; G25-G28 PolarHBondContact O-N 3.23Å; G25-R29 VanDerWaalsContact C-NH1 3.29Å; G25-R29 WeakPolarHBondContact O-CG 3.34Å; G25-R29 VanDerWaalsContact O-CZ 3.25Å; G25-R29 PolarHBondContact O-N 3.12Å; G25-R29 PolarHBondContact O-NH1 3.3Å; G25-D38 VanDerWaalsContact CA-O 3.31Å; G25-D38 WeakPolarHBondContact CA-O 3.44Å
26S90Very high87.5Confident0 Ų045.7 Ų45.70%025%0.246CC..Hα-helixtrans-64.5-23.4179.3-58.10000112.1K30 T31 V32 D38 K168 E190S26-K30 PolarHBondContact O-N 3.27Å; S26-K30 VanDerWaalsContact O-N 3.08Å; S26-T31 PolarHBondContact O-N 3.33Å; S26-T31 PolarHBondContact O-OG1 3.03Å; S26-V32 VanDerWaalsContact C-CG2 3.42Å; S26-V32 WeakPolarHBondContact O-CG2 3.44Å; S26-V32 PolarHBondContact O-N 2.84Å; S26-D38 WeakPolarHBondContact CB-OD1 3.33Å; S26-D38 WeakPolarHBondContact CB-OD2 3.37Å; S26-D38 PolarHBondContact N-O 2.98Å; S26-D38 PolarHBondContact OG-OD1 3.16Å; S26-D38 VanDerWaalsContact OG-OD1 3.09Å; S26-D38 PolarHBondContact OG-OD2 3.19Å; S26-K168 VanDerWaalsContact CB-NZ 3.32Å; S26-K168 PolarHBondContact OG-NZ 2.83Å; S26-E190 PolarHBondContact OG-OE1 3.35Å
27Y90.6Very high86.4Confident73 Ų7342.7 Ų42.729%0.28623%0.227SC..Hα-helixtrans-67.6-51176-163.8-79.7000111.7V2 I23 G25 R29 K30 V32 I102 F104V2-Y27 HydrophobicContact CB-CE1 4.34Å; V2-Y27 HydrophobicContact CG1-CE1 4.06Å; V2-Y27 HydrophobicContact CG2-CE1 4.35Å; I23-Y27 HydrophobicContact CG2-CD1 3.7Å; I23-Y27 HydrophobicContact CG2-CE1 4.42Å; G25-Y27 PolarHBondContact O-N 2.96Å; Y27-R29 PolarHBondContact O-N 3.36Å; Y27-K30 PolarHBondContact O-N 2.93Å; Y27-V32 HydrophobicContact CD2-CG2 3.85Å; Y27-V32 HydrophobicContact CG-CG2 4.13Å; Y27-V32 VanDerWaalsContact N-CG2 3.3Å; Y27-I102 HydrophobicContact CD2-CD1 4.07Å; Y27-I102 HydrophobicContact CD2-CG2 4.14Å; Y27-I102 HydrophobicContact CE2-CD1 3.72Å; Y27-F104 AromaticContact CD1-CE1 3.77Å; Y27-F104 HydrophobicContact CD1-CE1 3.77Å; Y27-F104 AromaticContact CD1-CZ 3.84Å; Y27-F104 HydrophobicContact CD1-CZ 3.84Å; Y27-F104 HydrophobicContact CD2-CE1 4.17Å; Y27-F104 AromaticContact CD2-CZ 3.67Å; Y27-F104 HydrophobicContact CD2-CZ 3.67Å; Y27-F104 HydrophobicContact CE1-CE1 4.31Å; Y27-F104 HydrophobicContact CE1-CZ 4.04Å; Y27-F104 AromaticContact CE2-CZ 3.9Å; Y27-F104 HydrophobicContact CE2-CZ 3.9Å; Y27-F104 AromaticContact CG-CE1 3.68Å; Y27-F104 HydrophobicContact CG-CE1 3.68Å; Y27-F104 AromaticContact CG-CZ 3.65Å; Y27-F104 HydrophobicContact CG-CZ 3.65Å
28G89.9Confident85.7Confident3 Ų341.5 Ų41.53%0.03122%0.221CC..Hα-helixtrans-57.9-39.617500000112.7I23 G24 G25 K30I23-G28 VanDerWaalsContact O-CA 3.24Å; I23-G28 WeakPolarHBondContact O-CA 3.29Å; G24-G28 PolarHBondContact O-N 3.15Å; G25-G28 PolarHBondContact O-N 3.23Å; G28-K30 VanDerWaalsContact C-N 3.25Å; G28-K30 PolarHBondContact O-N 3.3Å
29R92.1Very high85.6Confident17 Ų1741 Ų416%0.06422%0.219CC..THydrogen-bonded Turntrans-78.9-4.1179-62-175.5-60.6-92.73.7114.1G25 Y27 T31 F153 E190G25-R29 VanDerWaalsContact C-NH1 3.29Å; G25-R29 WeakPolarHBondContact O-CG 3.34Å; G25-R29 VanDerWaalsContact O-CZ 3.25Å; G25-R29 PolarHBondContact O-N 3.12Å; G25-R29 PolarHBondContact O-NH1 3.3Å; Y27-R29 PolarHBondContact O-N 3.36Å; R29-T31 VanDerWaalsContact C-N 3.32Å; R29-T31 PolarHBondContact O-N 3.41Å; R29-F153 HydrophobicContact CB-CB 4.07Å; R29-F153 HydrophobicContact CB-CD1 4.02Å; R29-F153 HydrophobicContact CB-CD2 4.06Å; R29-F153 HydrophobicContact CB-CG 3.77Å; R29-F153 VanDerWaalsContact CD-CE2 3.41Å; R29-F153 HydrophobicContact CG-CB 4.38Å; R29-F153 HydrophobicContact CG-CD2 3.69Å; R29-F153 HydrophobicContact CG-CE2 4.09Å; R29-F153 HydrophobicContact CG-CG 3.94Å; R29-E190 IonicContact CZ-OE2 3.67Å; R29-E190 IonicContact NE-OE2 2.57Å; R29-E190 PolarHBondContact NE-OE2 2.96Å; R29-E190 IonicContact NH2-OE1 2.72Å; R29-E190 IonicContact NH2-OE2 3.29Å; R29-E190 PolarHBondContact NH2-OE2 3.28Å
30K91.6Very high85.6Confident115 Ų11536.2 Ų36.250%0.520%0.198SC..THydrogen-bonded Turntrans59.239-177.9-59.7166.7177.9159.40112.9S26 Y27 G28 D154 K161S26-K30 PolarHBondContact O-N 3.27Å; S26-K30 VanDerWaalsContact O-N 3.08Å; Y27-K30 PolarHBondContact O-N 2.93Å; G28-K30 VanDerWaalsContact C-N 3.25Å; G28-K30 PolarHBondContact O-N 3.3Å; K30-D154 WeakPolarHBondContact CE-OD1 3.25Å; K30-D154 IonicContact NZ-OD1 3.26Å; K30-D154 PolarHBondContact NZ-OD1 3.04Å; K30-K161 HydrophobicContact CB-CD 4.07Å
31T91.6Very high85.7Confident0 Ų035.7 Ų35.70%019%0.193CC..  trans-126.827.6-177.154.80000111.9S26 R29 L33 F153 K161 I164 L165 K168 E190S26-T31 PolarHBondContact O-N 3.33Å; S26-T31 PolarHBondContact O-OG1 3.03Å; R29-T31 VanDerWaalsContact C-N 3.32Å; R29-T31 PolarHBondContact O-N 3.41Å; T31-L33 PolarHBondContact O-N 2.78Å; T31-F153 HydrophobicContact CG2-CD1 4.31Å; T31-K161 HydrophobicContact CG2-CG 4.5Å; T31-I164 HydrophobicContact CG2-CB 4.24Å; T31-I164 HydrophobicContact CG2-CD1 3.97Å; T31-I164 HydrophobicContact CG2-CG2 3.61Å; T31-L165 VanDerWaalsContact C-CD2 3.46Å; T31-L165 WeakPolarHBondContact O-CD2 3.35Å; T31-K168 PolarHBondContact O-NZ 3.33Å; T31-E190 WeakPolarHBondContact CB-OE1 3.47Å; T31-E190 PolarHBondContact OG1-OE1 3.37Å
32V88.6Confident85.7Confident39 Ų3935 Ų3524%0.23619%0.189CC..PPolyproline II helixtrans-70.7128.1-178.1-174.80000111.3S26 Y27 N36 L165S26-V32 VanDerWaalsContact C-CG2 3.42Å; S26-V32 WeakPolarHBondContact O-CG2 3.44Å; S26-V32 PolarHBondContact O-N 2.84Å; Y27-V32 HydrophobicContact CD2-CG2 3.85Å; Y27-V32 HydrophobicContact CG-CG2 4.13Å; Y27-V32 VanDerWaalsContact N-CG2 3.3Å; V32-N36 WeakPolarHBondContact CG1-O 3.36Å; V32-L165 WeakPolarHBondContact O-CD2 3.44Å
33L83.2Confident85.8Confident16 Ų1635 Ų358%0.08419%0.188CC..PPolyproline II helixtrans-80.4136.4171.7-85.3174.6000111T31 G35 N36 L165 K168 H169 Q172T31-L33 PolarHBondContact O-N 2.78Å; L33-G35 PolarHBondContact O-N 3.04Å; L33-N36 HydrophobicContact CB-CB 3.98Å; L33-N36 PolarHBondContact O-N 3.17Å; L33-L165 HydrophobicContact CD2-CB 4.18Å; L33-L165 HydrophobicContact CD2-CD2 3.97Å; L33-L165 WeakPolarHBondContact CD2-O 3.29Å; L33-L165 HydrophobicContact CG-CD2 4.1Å; L33-K168 HydrophobicContact CD1-CB 3.48Å; L33-K168 VanDerWaalsContact CD1-CB 3.48Å; L33-K168 HydrophobicContact CG-CB 4.09Å; L33-H169 HydrophobicContact CD2-CB 4.1Å; L33-Q172 VanDerWaalsContact CD1-CD 3.5Å; L33-Q172 HydrophobicContact CD1-CG 4.27Å
34R78.2Confident85.8Confident193 Ų19333.8 Ų33.873%0.72818%0.182SC*.THydrogen-bonded Turntrans-56.5124.8174.8-179.2172.2-176.2-1750110.6N36R34-N36 VanDerWaalsContact C-N 3.26Å; R34-N36 PolarHBondContact O-N 2.98Å
35G69.5Low85.8Confident75 Ų7533.7 Ų33.777%0.77318%0.181SC*.THydrogen-bonded Turntrans81.5-2.8-179.700000114.8L33L33-G35 PolarHBondContact O-N 3.04Å
36N67.3Low85.7Confident54 Ų5434.7 Ų34.729%0.28919%0.186SC..  trans-111.3132.2168.6-167.513.5000109.2V32 L33 R34 Q172V32-N36 WeakPolarHBondContact CG1-O 3.36Å; L33-N36 HydrophobicContact CB-CB 3.98Å; L33-N36 PolarHBondContact O-N 3.17Å; R34-N36 VanDerWaalsContact C-N 3.26Å; R34-N36 PolarHBondContact O-N 2.98Å; N36-Q172 PolarHBondContact ND2-NE2 3.18Å
37S63.4Low85.6Confident32 Ų3238.4 Ų38.422%0.22421%0.206CC..  trans-129.596.6-170.7-40.40000111.1R101S37-R101 PolarHBondContact OG-O 2.91Å
38D75.2Confident85.6Confident46 Ų4635.3 Ų35.325%0.24619%0.194CC..  trans-12947.7-178.263.6-29.9000110.7G25 S26G25-D38 VanDerWaalsContact CA-O 3.31Å; G25-D38 WeakPolarHBondContact CA-O 3.44Å; S26-D38 WeakPolarHBondContact CB-OD1 3.33Å; S26-D38 WeakPolarHBondContact CB-OD2 3.37Å; S26-D38 PolarHBondContact N-O 2.98Å; S26-D38 PolarHBondContact OG-OD1 3.16Å; S26-D38 VanDerWaalsContact OG-OD1 3.09Å; S26-D38 PolarHBondContact OG-OD2 3.19Å
39G87.6Confident85.5Confident4 Ų442.9 Ų42.94%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-77.7152.3171.100000111.4S103 F104 E105G39-S103 PolarHBondContact N-O 2.95Å; G39-F104 VanDerWaalsContact O-CA 3.29Å; G39-F104 WeakPolarHBondContact O-CA 3.48Å; G39-E105 PolarHBondContact O-N 3.21Å
40T90.5Very high85.5Confident25 Ų2544.6 Ų44.615%0.15324%0.235CC..EExtended strand (participates in β ladder)trans-129.8141.1171.4-47.70000108.7G24 V42 E105 L107G24-T40 PolarHBondContact N-O 2.7Å; G24-T40 PolarHBondContact O-N 3.05Å; T40-V42 HydrophobicContact CG2-CG2 3.98Å; T40-E105 CarbonylContact C-O 3.59Å; T40-E105 VanDerWaalsContact CA-O 3.28Å; T40-E105 WeakPolarHBondContact CA-O 3.14Å; T40-E105 WeakPolarHBondContact CG2-O 3.39Å; T40-L107 HydrophobicContact CG2-CD1 3.65Å; T40-L107 HydrophobicContact CG2-CG 3.95Å
41L92.3Very high85.5Confident2 Ų239.3 Ų39.31%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-114.7118.5168.3-70.6171.8000107.9I5 V21 I23 I93 F104 E105 V106 L107I5-L41 HydrophobicContact CG2-CD1 4.33Å; V21-L41 HydrophobicContact CG1-CD2 4.43Å; I23-L41 HydrophobicContact CG1-CD2 3.98Å; L41-I93 HydrophobicContact CD1-CD1 3.91Å; L41-F104 HydrophobicContact CD1-CB 4.01Å; L41-F104 HydrophobicContact CD1-CD1 4.34Å; L41-F104 HydrophobicContact CD1-CG 4.22Å; L41-F104 HydrophobicContact CD2-CD1 4.31Å; L41-F104 HydrophobicContact CG-CB 4.08Å; L41-F104 HydrophobicContact CG-CD1 3.87Å; L41-F104 HydrophobicContact CG-CG 4.2Å; L41-E105 PolarHBondContact N-O 2.9Å; L41-V106 HydrophobicContact CB-CG2 4.26Å; L41-V106 HydrophobicContact CD1-CG2 4.48Å; L41-V106 CarbonylContact O-C 3.54Å; L41-V106 VanDerWaalsContact O-CA 3.28Å; L41-V106 WeakPolarHBondContact O-CA 3.36Å; L41-L107 PolarHBondContact O-N 3.35Å
42V92.4Very high85.5Confident0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-104.6117.6-178.6179.80000108.3V21 A22 T40 F44 L107 A109 V143 T146V21-V42 CarbonylContact C-O 3.55Å; V21-V42 WeakPolarHBondContact CA-O 3.46Å; A22-V42 HydrophobicContact CB-CB 4.31Å; A22-V42 PolarHBondContact N-O 3.21Å; A22-V42 PolarHBondContact O-N 3.49Å; T40-V42 HydrophobicContact CG2-CG2 3.98Å; V42-F44 HydrophobicContact CG1-CD1 4.34Å; V42-F44 HydrophobicContact CG1-CE1 3.88Å; V42-F44 HydrophobicContact CG1-CZ 4.14Å; V42-L107 CarbonylContact C-O 3.51Å; V42-L107 WeakPolarHBondContact CA-O 3.24Å; V42-A109 HydrophobicContact CG1-CB 3.4Å; V42-A109 VanDerWaalsContact CG1-CB 3.4Å; V42-V143 HydrophobicContact CB-CG2 4.25Å; V42-V143 HydrophobicContact CG1-CG2 3.73Å; V42-V143 HydrophobicContact CG2-CG2 3.48Å; V42-V143 VanDerWaalsContact CG2-CG2 3.48Å; V42-T146 HydrophobicContact CG2-CG2 4.01Å
43L93.5Very high85.6Confident0 Ų039.8 Ų39.80%021%0.212CC..EExtended strand (participates in β ladder)trans-95.8119.8177-50.6-175.4000108.9L9 V21 F45 L62 T65 V106 L107 A109L9-L43 HydrophobicContact CD1-CD2 3.89Å; L9-L43 HydrophobicContact CD2-CD1 4.32Å; L9-L43 HydrophobicContact CD2-CD2 4.36Å; V21-L43 HydrophobicContact CB-CD2 4.42Å; V21-L43 HydrophobicContact CG1-CD2 4Å; V21-L43 HydrophobicContact CG2-CD2 3.76Å; L43-F45 HydrophobicContact CB-CD2 4.22Å; L43-F45 HydrophobicContact CB-CE2 3.63Å; L43-F45 HydrophobicContact CB-CZ 4.04Å; L43-F45 HydrophobicContact CD1-CE2 4.24Å; L43-F45 HydrophobicContact CD1-CZ 4Å; L43-L62 HydrophobicContact CD1-CD2 4.36Å; L43-T65 HydrophobicContact CD1-CG2 3.84Å; L43-V106 HydrophobicContact CD1-CG1 3.66Å; L43-V106 HydrophobicContact CD2-CG1 4.4Å; L43-V106 HydrophobicContact CG-CG1 3.78Å; L43-L107 PolarHBondContact N-O 3.44Å; L43-A109 PolarHBondContact O-N 2.97Å
44F92.4Very high85.8Confident1 Ų140.7 Ų40.70%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-86.4114.7174.7-62.4-60.3000110V18 Q19 G20 A22 V42 A109 N111 E147V18-F44 CarbonylContact C-O 3.55Å; V18-F44 WeakPolarHBondContact CA-O 3.49Å; Q19-F44 PolarHBondContact N-O 2.85Å; G20-F44 PolarHBondContact O-N 2.58Å; A22-F44 HydrophobicContact CB-CE2 3.75Å; A22-F44 HydrophobicContact CB-CZ 4.02Å; V42-F44 HydrophobicContact CG1-CD1 4.34Å; V42-F44 HydrophobicContact CG1-CE1 3.88Å; V42-F44 HydrophobicContact CG1-CZ 4.14Å; F44-A109 VanDerWaalsContact CA-O 3.31Å; F44-A109 WeakPolarHBondContact CA-O 3.32Å; F44-A109 HydrophobicContact CD1-CB 3.95Å; F44-A109 HydrophobicContact CE1-CB 3.93Å; F44-N111 HydrophobicContact CB-CB 3.96Å; F44-N111 HydrophobicContact CD1-CB 3.91Å; F44-N111 HydrophobicContact CD2-CB 4.46Å; F44-N111 HydrophobicContact CG-CB 3.86Å; F44-E147 HydrophobicContact CE2-CG 3.99Å; F44-E147 WeakPolarHBondContact CE2-OE1 3.15Å; F44-E147 HydrophobicContact CZ-CG 4.24Å
45F91.2Very high86.2Confident2 Ų236 Ų361%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-98.4138-177.3-74.8-79.7000112.1L17 V18 L43 D47 L48 I61 L62 A108 A109L17-F45 HydrophobicContact CB-CD1 3.91Å; L17-F45 HydrophobicContact CB-CE1 4.37Å; L17-F45 CarbonylContact O-C 3.57Å; L17-F45 VanDerWaalsContact O-CA 3.27Å; L17-F45 WeakPolarHBondContact O-CA 3.14Å; V18-F45 HydrophobicContact CG2-CD1 4.21Å; V18-F45 HydrophobicContact CG2-CE1 3.68Å; V18-F45 HydrophobicContact CG2-CZ 4.19Å; L43-F45 HydrophobicContact CB-CD2 4.22Å; L43-F45 HydrophobicContact CB-CE2 3.63Å; L43-F45 HydrophobicContact CB-CZ 4.04Å; L43-F45 HydrophobicContact CD1-CE2 4.24Å; L43-F45 HydrophobicContact CD1-CZ 4Å; F45-D47 PolarHBondContact O-N 3.42Å; F45-L48 HydrophobicContact CB-CD1 4.17Å; F45-L48 HydrophobicContact CB-CG 4.06Å; F45-L48 PolarHBondContact O-N 3.25Å; F45-L48 VanDerWaalsContact O-N 3.12Å; F45-I61 HydrophobicContact CD1-CG2 3.85Å; F45-I61 HydrophobicContact CE1-CG2 3.42Å; F45-I61 VanDerWaalsContact CE1-CG2 3.42Å; F45-I61 HydrophobicContact CE2-CG2 4.13Å; F45-I61 HydrophobicContact CG-CG2 4.38Å; F45-I61 HydrophobicContact CZ-CG2 3.58Å; F45-L62 HydrophobicContact CE2-CD2 4.11Å; F45-L62 HydrophobicContact CZ-CD2 4.42Å; F45-A108 HydrophobicContact CD2-CB 3.68Å; F45-A108 HydrophobicContact CE2-CB 3.65Å; F45-A109 PolarHBondContact N-O 3.22Å
46S88.8Confident86.9Confident31 Ų3139.2 Ų39.222%0.21719%0.189CC..THydrogen-bonded Turntrans-60.5-25.417657.10000114.2L17 Q19 L48L17-S46 PolarHBondContact O-N 3.16Å; L17-S46 PolarHBondContact O-OG 3.49Å; Q19-S46 VanDerWaalsContact CD-CA 3.46Å; Q19-S46 VanDerWaalsContact NE2-CB 3.34Å; S46-L48 VanDerWaalsContact C-N 3.3Å
47D87.9Confident87.5Confident79 Ų7941.4 Ų41.442%0.42221%0.208SC..THydrogen-bonded Turntrans-79.5-16-178.7-64.3-14.4000112.5F45F45-D47 PolarHBondContact O-N 3.42Å
48L89.6Confident88.4Confident8 Ų841 Ų414%0.04220%0.203CC..  trans-94.5112.3174.6-54.2-179.4000108.2F45 S46 D53 A108 A109 F110F45-L48 HydrophobicContact CB-CD1 4.17Å; F45-L48 HydrophobicContact CB-CG 4.06Å; F45-L48 PolarHBondContact O-N 3.25Å; F45-L48 VanDerWaalsContact O-N 3.12Å; S46-L48 VanDerWaalsContact C-N 3.3Å; L48-D53 HydrophobicContact CB-CB 4.38Å; L48-D53 HydrophobicContact CD2-CB 3.75Å; L48-A108 HydrophobicContact CD1-CB 4.3Å; L48-A109 WeakPolarHBondContact CD1-O 3.39Å; L48-F110 HydrophobicContact CB-CB 4.13Å; L48-F110 VanDerWaalsContact O-CD2 3.29Å; L48-F110 WeakPolarHBondContact O-CD2 3.28Å
49K88.9Confident88.6Confident162 Ų16244.3 Ų44.370%0.70421%0.212SC*.  trans-109.4-11.7-172.2-62.4-174.8-179.6-178.40113.7D53 F110K49-D53 PolarHBondContact N-OD2 3.48Å; K49-F110 VanDerWaalsContact C-CD2 3.44Å; K49-F110 WeakPolarHBondContact O-CE2 3.44Å; K49-F110 WeakPolarHBondContact O-CZ 3.5Å
50Q91.2Very high88.4Confident53 Ų5349.4 Ų49.425%0.24824%0.239CC..SBendtrans-158.2157.6-172.655-172-0.300110.3Q52 D53 Q54Q50-Q52 HydrophobicContact CB-CG 4.36Å; Q50-Q52 VanDerWaalsContact CD-NE2 3.28Å; Q50-Q52 HydrophobicContact CG-CG 3.56Å; Q50-Q52 PolarHBondContact O-N 3.18Å; Q50-Q52 VanDerWaalsContact O-N 3.17Å; Q50-D53 HydrophobicContact CG-CB 4.44Å; Q50-D53 VanDerWaalsContact CG-CG 3.43Å; Q50-D53 WeakPolarHBondContact CG-OD1 3.41Å; Q50-D53 WeakPolarHBondContact CG-OD2 3.31Å; Q50-D53 PolarHBondContact N-OD2 3.47Å; Q50-D53 PolarHBondContact NE2-OD1 3.44Å; Q50-D53 WeakPolarHBondContact O-CB 3.34Å; Q50-D53 PolarHBondContact O-N 3.01Å; Q50-Q54 PolarHBondContact O-OE1 3.33Å
51F92.3Very high88.1Confident3 Ų350.2 Ų50.21%0.01324%0.242CC..G310 helixtrans-58.1-30.2-177.5-64.4-77.9000114.6D53 Q54 F110 A112 I123 E126 L127 F141 C144 F145F51-D53 PolarHBondContact O-N 3.06Å; F51-Q54 WeakPolarHBondContact O-CB 3.21Å; F51-Q54 PolarHBondContact O-N 3.07Å; F51-Q54 PolarHBondContact O-OE1 2.9Å; F51-F110 HydrophobicContact CD1-CD1 4.13Å; F51-F110 HydrophobicContact CD2-CD1 4.46Å; F51-F110 HydrophobicContact CD2-CE1 4.32Å; F51-F110 HydrophobicContact CE1-CD1 4.29Å; F51-F110 HydrophobicContact CE2-CE1 4.19Å; F51-F110 HydrophobicContact CG-CD1 4.23Å; F51-F110 HydrophobicContact CZ-CE1 4.32Å; F51-A112 HydrophobicContact CE1-CB 3.92Å; F51-A112 HydrophobicContact CZ-CB 3.73Å; F51-I123 HydrophobicContact CE2-CG2 4.21Å; F51-I123 HydrophobicContact CZ-CG2 3.85Å; F51-E126 HydrophobicContact CD2-CG 4.44Å; F51-L127 HydrophobicContact CD1-CD1 3.93Å; F51-L127 HydrophobicContact CD2-CB 4.19Å; F51-L127 HydrophobicContact CD2-CD1 4.44Å; F51-L127 HydrophobicContact CE1-CD1 4Å; F51-L127 HydrophobicContact CE2-CB 3.87Å; F51-L127 HydrophobicContact CG-CD1 4.15Å; F51-L127 HydrophobicContact CZ-CB 4.12Å; F51-L127 HydrophobicContact CZ-CD1 4.29Å; F51-F141 HydrophobicContact CB-CD2 3.89Å; F51-F141 HydrophobicContact CB-CE2 4.19Å; F51-F141 HydrophobicContact CB-CG 4.09Å; F51-F141 HydrophobicContact CD1-CB 3.91Å; F51-F141 HydrophobicContact CD1-CG 4.4Å; F51-F141 WeakPolarHBondContact O-CD1 3.24Å; F51-F141 WeakPolarHBondContact O-CE1 3.45Å; F51-F141 WeakPolarHBondContact O-CZ 3.38Å; F51-C144 HydrophobicContact CD1-CB 3.97Å; F51-C144 HydrophobicContact CE1-CB 3.65Å; F51-F145 HydrophobicContact CE1-CE1 4.46Å; F51-F145 AromaticContact CE1-CE2 3.89Å; F51-F145 HydrophobicContact CE1-CE2 3.89Å; F51-F145 AromaticContact CE1-CZ 3.72Å; F51-F145 HydrophobicContact CE1-CZ 3.72Å; F51-F145 HydrophobicContact CZ-CE1 4.23Å; F51-F145 HydrophobicContact CZ-CE2 4.21Å; F51-F145 AromaticContact CZ-CZ 3.58Å; F51-F145 HydrophobicContact CZ-CZ 3.58Å
52Q91.6Very high87.9Confident46 Ų4650.2 Ų50.222%0.21524%0.242CC..G310 helixtrans-71.9-16.6178.357.7177.541.600113.1Q50 Q54 K55 T134Q50-Q52 HydrophobicContact CB-CG 4.36Å; Q50-Q52 VanDerWaalsContact CD-NE2 3.28Å; Q50-Q52 HydrophobicContact CG-CG 3.56Å; Q50-Q52 PolarHBondContact O-N 3.18Å; Q50-Q52 VanDerWaalsContact O-N 3.17Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q52-K55 PolarHBondContact O-N 3.44Å; Q52-T134 HydrophobicContact CB-CG2 3.48Å; Q52-T134 VanDerWaalsContact CB-CG2 3.48Å
53D90.6Very high87.5Confident4 Ų451.9 Ų51.92%0.02125%0.25CS..G310 helixtrans-69.6-20.5178.1-62.8-21.3000111.4L48 K49 Q50 F51 K55 R56 Q58L48-D53 HydrophobicContact CB-CB 4.38Å; L48-D53 HydrophobicContact CD2-CB 3.75Å; K49-D53 PolarHBondContact N-OD2 3.48Å; Q50-D53 HydrophobicContact CG-CB 4.44Å; Q50-D53 VanDerWaalsContact CG-CG 3.43Å; Q50-D53 WeakPolarHBondContact CG-OD1 3.41Å; Q50-D53 WeakPolarHBondContact CG-OD2 3.31Å; Q50-D53 PolarHBondContact N-OD2 3.47Å; Q50-D53 PolarHBondContact NE2-OD1 3.44Å; Q50-D53 WeakPolarHBondContact O-CB 3.34Å; Q50-D53 PolarHBondContact O-N 3.01Å; F51-D53 PolarHBondContact O-N 3.06Å; D53-K55 PolarHBondContact O-N 3.17Å; D53-R56 WeakPolarHBondContact O-CB 3.33Å; D53-R56 PolarHBondContact O-N 2.98Å; D53-R56 IonicContact OD1-CZ 3.14Å; D53-R56 IonicContact OD1-NE 3.72Å; D53-R56 IonicContact OD1-NH1 3.42Å; D53-R56 PolarHBondContact OD1-NH1 3.25Å; D53-R56 IonicContact OD1-NH2 2.99Å; D53-R56 PolarHBondContact OD1-NH2 2.93Å; D53-Q58 PolarHBondContact O-NE2 2.71Å
54Q86.5Confident87.2Confident34 Ų3459.1 Ų59.116%0.15928%0.282CS..G310 helixtrans-57-27.2171.4-79.750.654.500113.1Q50 F51 Q52 R56 F141Q50-Q54 PolarHBondContact O-OE1 3.33Å; F51-Q54 WeakPolarHBondContact O-CB 3.21Å; F51-Q54 PolarHBondContact O-N 3.07Å; F51-Q54 PolarHBondContact O-OE1 2.9Å; Q52-Q54 PolarHBondContact O-N 3.48Å; Q54-R56 VanDerWaalsContact C-N 3.26Å; Q54-R56 PolarHBondContact O-N 3.37Å; Q54-F141 HydrophobicContact CB-CD1 3.78Å; Q54-F141 HydrophobicContact CB-CE1 3.76Å; Q54-F141 HydrophobicContact CG-CD1 4.01Å; Q54-F141 HydrophobicContact CG-CE1 4.47Å
55K86.8Confident87Confident94 Ų9459.7 Ų59.741%0.40929%0.286SS..G310 helixtrans-75.4-15.3178.6-70.2-70.7-170.9171.10113.3Q52 D53 T134 E140 F141Q52-K55 PolarHBondContact O-N 3.44Å; D53-K55 PolarHBondContact O-N 3.17Å; K55-T134 HydrophobicContact CG-CG2 4.09Å; K55-E140 WeakPolarHBondContact CE-OE1 3.29Å; K55-E140 WeakPolarHBondContact CE-OE2 3.44Å; K55-E140 IonicContact NZ-OE1 3.16Å; K55-E140 PolarHBondContact NZ-OE1 3.44Å; K55-E140 IonicContact NZ-OE2 2.63Å; K55-E140 PolarHBondContact NZ-OE2 2.85Å; K55-F141 HydrophobicContact CG-CE1 4.36Å; K55-F141 HydrophobicContact CG-CZ 4.45Å
56R84.6Confident86.8Confident143 Ų14359.8 Ų59.854%0.5429%0.287SS..SBendtrans-74.7145.9175-58178.8-175.8160.47.3108.8D53 Q54 Q58D53-R56 WeakPolarHBondContact O-CB 3.33Å; D53-R56 PolarHBondContact O-N 2.98Å; D53-R56 IonicContact OD1-CZ 3.14Å; D53-R56 IonicContact OD1-NE 3.72Å; D53-R56 IonicContact OD1-NH1 3.42Å; D53-R56 PolarHBondContact OD1-NH1 3.25Å; D53-R56 IonicContact OD1-NH2 2.99Å; D53-R56 PolarHBondContact OD1-NH2 2.93Å; Q54-R56 VanDerWaalsContact C-N 3.26Å; Q54-R56 PolarHBondContact O-N 3.37Å; R56-Q58 WeakPolarHBondContact O-CG 3.44Å; R56-Q58 PolarHBondContact O-N 3.24Å; R56-Q58 VanDerWaalsContact O-N 3.16Å; R56-Q58 PolarHBondContact O-NE2 3Å
57S79.9Confident86.7Confident100 Ų10062.5 Ų62.570%0.69930%0.299SS*.  trans-59.5120.6173.3179.10000109.8
58Q82.8Confident86.7Confident24 Ų2462.6 Ų62.611%0.11230%0.296CS..  trans-99.36.8175.8-52.5-53.7-1800112.8D53 R56 D60 I61 L62 A108D53-Q58 PolarHBondContact O-NE2 2.71Å; R56-Q58 WeakPolarHBondContact O-CG 3.44Å; R56-Q58 PolarHBondContact O-N 3.24Å; R56-Q58 VanDerWaalsContact O-N 3.16Å; R56-Q58 PolarHBondContact O-NE2 3Å; Q58-D60 PolarHBondContact O-N 2.99Å; Q58-I61 PolarHBondContact O-N 3.03Å; Q58-L62 HydrophobicContact CB-CD1 4.12Å; Q58-L62 HydrophobicContact CB-CG 4.44Å; Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 2.82Å; Q58-A108 HydrophobicContact CB-CB 3.82Å; Q58-A108 HydrophobicContact CG-CB 3.92Å
59R80.3Confident86.6Confident115 Ų11562.2 Ų62.243%0.43429%0.294SS..Hα-helixtrans-58.4-49.6-171.1-162.7177.5-151.4156.510112.3I61 L62 D63 L88R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.89Å; R59-L62 PolarHBondContact O-N 2.8Å; R59-D63 VanDerWaalsContact O-CB 3.29Å; R59-D63 WeakPolarHBondContact O-CB 3.49Å; R59-D63 PolarHBondContact O-N 3.29Å; R59-L88 PolarHBondContact NH2-O 2.77Å
60D81.5Confident86.4Confident112 Ų11258.9 Ų58.960%0.59928%0.279SS*.Hα-helixtrans-62.9-37.6-177.1-66.1-8.3000112.4Q58 K64Q58-D60 PolarHBondContact O-N 2.99Å; D60-K64 WeakPolarHBondContact O-CB 3.4Å; D60-K64 WeakPolarHBondContact O-CD 3.4Å; D60-K64 VanDerWaalsContact O-CG 3.22Å; D60-K64 WeakPolarHBondContact O-CG 3.4Å; D60-K64 PolarHBondContact O-N 2.88Å; D60-K64 VanDerWaalsContact O-N 3.15Å
61I85.5Confident86.1Confident42 Ų4263.3 Ų63.322%0.21530%0.298CS..Hα-helixtrans-72.1-45.1179.4-62.6176.7000109.7F45 Q58 R59 T65F45-I61 HydrophobicContact CD1-CG2 3.85Å; F45-I61 HydrophobicContact CE1-CG2 3.42Å; F45-I61 VanDerWaalsContact CE1-CG2 3.42Å; F45-I61 HydrophobicContact CE2-CG2 4.13Å; F45-I61 HydrophobicContact CG-CG2 4.38Å; F45-I61 HydrophobicContact CZ-CG2 3.58Å; Q58-I61 PolarHBondContact O-N 3.03Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 2.89Å; I61-T65 VanDerWaalsContact O-CB 3.3Å; I61-T65 WeakPolarHBondContact O-CB 3.08Å; I61-T65 PolarHBondContact O-N 3.19Å; I61-T65 PolarHBondContact O-OG1 2.88Å
62L87.4Confident85.6Confident2 Ų263.6 Ų63.61%0.0130%0.3CS..Hα-helixtrans-66.4-40178.2-73.2172.7000112L43 F45 Q58 R59 T65 G66 D89 F91 V106 A108L43-L62 HydrophobicContact CD1-CD2 4.36Å; F45-L62 HydrophobicContact CE2-CD2 4.11Å; F45-L62 HydrophobicContact CZ-CD2 4.42Å; Q58-L62 HydrophobicContact CB-CD1 4.12Å; Q58-L62 HydrophobicContact CB-CG 4.44Å; Q58-L62 WeakPolarHBondContact O-CB 3.29Å; Q58-L62 WeakPolarHBondContact O-CG 3.47Å; Q58-L62 PolarHBondContact O-N 2.82Å; R59-L62 PolarHBondContact O-N 2.8Å; L62-T65 PolarHBondContact O-N 2.9Å; L62-G66 PolarHBondContact O-N 3.33Å; L62-D89 WeakPolarHBondContact CD1-O 3.39Å; L62-F91 HydrophobicContact CB-CD1 4.31Å; L62-F91 HydrophobicContact CB-CE1 4.47Å; L62-F91 HydrophobicContact CD2-CE1 4.31Å; L62-F91 WeakPolarHBondContact O-CD1 3.48Å; L62-F91 VanDerWaalsContact O-CE1 3.24Å; L62-F91 WeakPolarHBondContact O-CE1 3.43Å; L62-V106 HydrophobicContact CD2-CG1 4.32Å; L62-A108 HydrophobicContact CD1-CB 4.05Å; L62-A108 HydrophobicContact CD2-CB 4.04Å; L62-A108 HydrophobicContact CG-CB 4.11Å
63D84.8Confident85.1Confident34 Ų3461.4 Ų61.418%0.18229%0.29CS..Hα-helixtrans-61.7-50.3176.2-89.4-41.5000111.4R59 T65 G66 D67 K86R59-D63 VanDerWaalsContact O-CB 3.29Å; R59-D63 WeakPolarHBondContact O-CB 3.49Å; R59-D63 PolarHBondContact O-N 3.29Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.06Å; D63-G66 PolarHBondContact O-N 3.12Å; D63-D67 PolarHBondContact O-N 3.47Å; D63-K86 VanDerWaalsContact OD1-CD 3.29Å; D63-K86 WeakPolarHBondContact OD1-CD 3.31Å; D63-K86 WeakPolarHBondContact OD1-CE 3.36Å; D63-K86 IonicContact OD1-NZ 3.3Å; D63-K86 PolarHBondContact OD1-NZ 3.24Å
64K85.9Confident84.3Confident153 Ų15366 Ų6667%0.66531%0.31SS*.Hα-helixtrans-59.4-40.5175.9-73.7171.8-175.3173.50111.7D60 K68D60-K64 WeakPolarHBondContact O-CB 3.4Å; D60-K64 WeakPolarHBondContact O-CD 3.4Å; D60-K64 VanDerWaalsContact O-CG 3.22Å; D60-K64 WeakPolarHBondContact O-CG 3.4Å; D60-K64 PolarHBondContact O-N 2.88Å; D60-K64 VanDerWaalsContact O-N 3.15Å; K64-K68 WeakPolarHBondContact O-CB 3.49Å; K64-K68 PolarHBondContact O-N 3.32Å
65T88.5Confident83.6Confident13 Ų1368.3 Ų68.38%0.0833%0.326CS..Hα-helixtrans-65.4-44.8177.7-58.70000111L9 F15 L43 I61 L62 D63 K68 L69L9-T65 HydrophobicContact CD2-CG2 4.02Å; F15-T65 HydrophobicContact CD1-CG2 4Å; F15-T65 HydrophobicContact CE1-CG2 3.93Å; L43-T65 HydrophobicContact CD1-CG2 3.84Å; I61-T65 VanDerWaalsContact O-CB 3.3Å; I61-T65 WeakPolarHBondContact O-CB 3.08Å; I61-T65 PolarHBondContact O-N 3.19Å; I61-T65 PolarHBondContact O-OG1 2.88Å; L62-T65 PolarHBondContact O-N 2.9Å; D63-T65 VanDerWaalsContact C-N 3.27Å; D63-T65 PolarHBondContact O-N 3.06Å; T65-K68 PolarHBondContact O-N 3.38Å; T65-L69 VanDerWaalsContact O-CB 3.23Å; T65-L69 WeakPolarHBondContact O-CB 3.39Å; T65-L69 PolarHBondContact O-N 3.05Å
66G87.3Confident82.8Confident4 Ų468.2 Ų68.24%0.04133%0.326CS..Hα-helixtrans-63.2-44.4178.100000112.7L62 D63 L69 K70L62-G66 PolarHBondContact O-N 3.33Å; D63-G66 PolarHBondContact O-N 3.12Å; G66-L69 PolarHBondContact O-N 2.85Å; G66-K70 WeakPolarHBondContact O-CB 3.44Å; G66-K70 PolarHBondContact O-N 3.19Å
67D86.5Confident81.4Confident87 Ų8772.4 Ų72.447%0.46534%0.342SS..Hα-helixtrans-65.1-41.3177.7-69.9-29.6000111.3D63 K70 F71 K86D63-D67 PolarHBondContact O-N 3.47Å; D67-K70 WeakPolarHBondContact O-CB 3.24Å; D67-K70 PolarHBondContact O-N 2.7Å; D67-F71 PolarHBondContact O-N 2.98Å; D67-K86 IonicContact OD1-NZ 2.79Å; D67-K86 IonicContact OD2-NZ 3.1Å; D67-K86 PolarHBondContact OD2-NZ 3.4Å
68K88.3Confident80.5Confident82 Ų8269 Ų6936%0.35732%0.315SS..Hα-helixtrans-68-41.8175.5-170.8170.7-171.3175.50112.5Q14 F15 K64 T65 K70 F71 C72Q14-K68 WeakPolarHBondContact O-CD 3.32Å; Q14-K68 WeakPolarHBondContact O-CE 3.25Å; Q14-K68 PolarHBondContact O-NZ 2.61Å; F15-K68 HydrophobicContact CD1-CD 4.49Å; F15-K68 HydrophobicContact CE1-CB 3.98Å; F15-K68 HydrophobicContact CE1-CD 4.09Å; F15-K68 HydrophobicContact CE1-CG 3.99Å; F15-K68 HydrophobicContact CZ-CB 4.32Å; F15-K68 HydrophobicContact CZ-CD 4.42Å; F15-K68 HydrophobicContact CZ-CG 4.05Å; K64-K68 WeakPolarHBondContact O-CB 3.49Å; K64-K68 PolarHBondContact O-N 3.32Å; T65-K68 PolarHBondContact O-N 3.38Å; K68-K70 VanDerWaalsContact C-N 3.32Å; K68-K70 PolarHBondContact O-N 3.32Å; K68-F71 PolarHBondContact O-N 3.49Å; K68-C72 PolarHBondContact O-N 3.39Å; K68-C72 PolarHBondContact O-SG 2.92Å
69L87.6Confident79.5Confident0 Ų074.1 Ų74.10%034%0.337CS..Hα-helixtrans-60.6-43.7175.7-18065.5000111.1I5 V8 L9 F15 T65 G66 F71 C72 L73 I84 F91 I93I5-L69 HydrophobicContact CG2-CD2 4.3Å; V8-L69 HydrophobicContact CB-CD1 4.45Å; V8-L69 HydrophobicContact CG1-CD1 3.76Å; L9-L69 HydrophobicContact CD1-CD2 4.32Å; L9-L69 HydrophobicContact CD2-CD1 4.03Å; L9-L69 HydrophobicContact CD2-CD2 4.16Å; L9-L69 HydrophobicContact CD2-CG 4.48Å; L9-L69 HydrophobicContact CG-CD1 3.97Å; L9-L69 HydrophobicContact CG-CD2 4.38Å; F15-L69 HydrophobicContact CZ-CB 4.14Å; F15-L69 HydrophobicContact CZ-CD1 4.36Å; T65-L69 VanDerWaalsContact O-CB 3.23Å; T65-L69 WeakPolarHBondContact O-CB 3.39Å; T65-L69 PolarHBondContact O-N 3.05Å; G66-L69 PolarHBondContact O-N 2.85Å; L69-F71 VanDerWaalsContact C-N 3.3Å; L69-F71 PolarHBondContact O-N 3.41Å; L69-C72 PolarHBondContact O-N 2.92Å; L69-L73 HydrophobicContact CD1-CD1 3.86Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L69-L73 HydrophobicContact CD1-CG 3.9Å; L69-L73 HydrophobicContact CD2-CD1 4.26Å; L69-L73 HydrophobicContact CG-CD1 3.72Å; L69-L73 HydrophobicContact CG-CG 4.17Å; L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.2Å; L69-I84 HydrophobicContact CD2-CD1 4.11Å; L69-I84 HydrophobicContact CG-CD1 4.27Å; L69-F91 HydrophobicContact CD2-CE2 4.14Å; L69-F91 HydrophobicContact CD2-CZ 4.39Å; L69-I93 HydrophobicContact CD2-CD1 3.57Å
70K85.1Confident78.8Confident92 Ų9275.8 Ų75.840%0.436%0.355SS..Hα-helixtrans-54.4-48.7175.6-169.4172-179.3176.10110.7G66 D67 K68 L73 F74 I84G66-K70 WeakPolarHBondContact O-CB 3.44Å; G66-K70 PolarHBondContact O-N 3.19Å; D67-K70 WeakPolarHBondContact O-CB 3.24Å; D67-K70 PolarHBondContact O-N 2.7Å; K68-K70 VanDerWaalsContact C-N 3.32Å; K68-K70 PolarHBondContact O-N 3.32Å; K70-L73 PolarHBondContact O-N 3.46Å; K70-F74 HydrophobicContact CD-CE2 4.38Å; K70-F74 HydrophobicContact CG-CD2 3.87Å; K70-F74 HydrophobicContact CG-CE2 3.69Å; K70-F74 WeakPolarHBondContact O-CD2 3.27Å; K70-F74 PolarHBondContact O-N 3.26Å; K70-I84 HydrophobicContact CB-CD1 4.07Å
71F83.6Confident78.5Confident146 Ų14674 Ų7464%0.6435%0.345SS*.Hα-helixtrans-61.2-45.1177.1-175.9-95.6000113.1D67 K68 L69 L73 F74 T75D67-F71 PolarHBondContact O-N 2.98Å; K68-F71 PolarHBondContact O-N 3.49Å; L69-F71 VanDerWaalsContact C-N 3.3Å; L69-F71 PolarHBondContact O-N 3.41Å; F71-L73 PolarHBondContact O-N 2.86Å; F71-F74 PolarHBondContact O-N 2.85Å; F71-T75 HydrophobicContact CE1-CG2 4.31Å; F71-T75 HydrophobicContact CZ-CG2 4.37Å; F71-T75 PolarHBondContact O-N 3.35Å; F71-T75 PolarHBondContact O-OG1 3.38Å
72C83.3Confident78.4Confident8 Ų873.1 Ų73.15%0.05434%0.34CS..Hα-helixtrans-64.9-40.2179.7-63.90000112.6V8 K68 L69 T75 K76V8-C72 HydrophobicContact CG1-CB 3.92Å; K68-C72 PolarHBondContact O-N 3.39Å; K68-C72 PolarHBondContact O-SG 2.92Å; L69-C72 PolarHBondContact O-N 2.92Å; C72-T75 PolarHBondContact O-N 3.28Å; C72-T75 PolarHBondContact O-OG1 3.03Å; C72-K76 PolarHBondContact O-N 3.02Å; C72-K76 VanDerWaalsContact O-N 3.16Å
73L80Confident78.2Confident0 Ų077 Ų770%036%0.358CS..Hα-helixtrans-72.8-31.5179-65.6174.2000112.3I5 V8 L69 K70 F71 T75 L78 F82I5-L73 HydrophobicContact CG1-CD1 4.17Å; I5-L73 HydrophobicContact CG1-CD2 4.07Å; V8-L73 HydrophobicContact CG2-CD2 4.33Å; L69-L73 HydrophobicContact CD1-CD1 3.86Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L69-L73 HydrophobicContact CD1-CG 3.9Å; L69-L73 HydrophobicContact CD2-CD1 4.26Å; L69-L73 HydrophobicContact CG-CD1 3.72Å; L69-L73 HydrophobicContact CG-CG 4.17Å; L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3.2Å; K70-L73 PolarHBondContact O-N 3.46Å; F71-L73 PolarHBondContact O-N 2.86Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.01Å; L73-L78 HydrophobicContact CD2-CD1 3.7Å; L73-L78 PolarHBondContact O-N 3.03Å; L73-F82 HydrophobicContact CB-CE1 3.66Å; L73-F82 HydrophobicContact CB-CE2 3.95Å; L73-F82 HydrophobicContact CB-CZ 3.33Å; L73-F82 HydrophobicContact CD1-CD2 4.02Å; L73-F82 HydrophobicContact CD1-CE1 4.43Å; L73-F82 HydrophobicContact CD1-CE2 3.77Å; L73-F82 HydrophobicContact CD1-CG 4.47Å; L73-F82 HydrophobicContact CD1-CZ 4.01Å; L73-F82 HydrophobicContact CG-CZ 4.33Å
74F75Confident78.3Confident101 Ų10176.6 Ų76.644%0.44336%0.356SS..Hα-helixtrans-64.7-34.6173.3-93.7-64.6000113K70 F71 K79K70-F74 HydrophobicContact CD-CE2 4.38Å; K70-F74 HydrophobicContact CG-CD2 3.87Å; K70-F74 HydrophobicContact CG-CE2 3.69Å; K70-F74 WeakPolarHBondContact O-CD2 3.27Å; K70-F74 PolarHBondContact O-N 3.26Å; F71-F74 PolarHBondContact O-N 2.85Å; F74-K79 HydrophobicContact CD1-CG 4.39Å
75T72Confident78.2Confident83 Ų8372.9 Ų72.951%0.50934%0.341SS..Hα-helixtrans-81-31.4-179.751.20000112.6F71 C72 L73 W77F71-T75 HydrophobicContact CE1-CG2 4.31Å; F71-T75 HydrophobicContact CZ-CG2 4.37Å; F71-T75 PolarHBondContact O-N 3.35Å; F71-T75 PolarHBondContact O-OG1 3.38Å; C72-T75 PolarHBondContact O-N 3.28Å; C72-T75 PolarHBondContact O-OG1 3.03Å; L73-T75 VanDerWaalsContact C-N 3.32Å; L73-T75 PolarHBondContact O-N 3.01Å; T75-W77 VanDerWaalsContact C-N 3.26Å; T75-W77 PolarHBondContact O-N 2.93Å
76K68.3Low77.8Confident91 Ų9178.1 Ų78.140%0.39636%0.362SS..THydrogen-bonded Turntrans-82.824.8176.9-72.7-177.9168.8176.40115.3V8 E11 C72 L78V8-K76 HydrophobicContact CG2-CD 3.87Å; E11-K76 IonicContact OE1-NZ 3.66Å; E11-K76 PolarHBondContact OE1-NZ 3.42Å; E11-K76 IonicContact OE2-NZ 3.74Å; E11-K76 PolarHBondContact OE2-NZ 3.44Å; C72-K76 PolarHBondContact O-N 3.02Å; C72-K76 VanDerWaalsContact O-N 3.16Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-L78 PolarHBondContact O-N 3.23Å
77W56.7Low76.9Confident232 Ų23279.7 Ų79.788%0.87937%0.373SS*.THydrogen-bonded Turntrans63.320.9172.4-78.972.8000117.4T75 K79T75-W77 VanDerWaalsContact C-N 3.26Å; T75-W77 PolarHBondContact O-N 2.93Å; W77-K79 PolarHBondContact O-N 3.01Å; W77-K79 VanDerWaalsContact O-N 3.1Å
78L61Low75.7Confident27 Ų2782.1 Ų82.114%0.14139%0.385CS..  trans-8335.2170.6-75.6164.2000113M1 T4 L73 K76 N80 F82M1-L78 HydrophobicContact CG-CD2 4.23Å; M1-L78 HydrophobicContact SD-CD2 3.9Å; T4-L78 HydrophobicContact CG2-CD1 4.3Å; L73-L78 HydrophobicContact CD2-CD1 3.7Å; L73-L78 PolarHBondContact O-N 3.03Å; K76-L78 VanDerWaalsContact C-N 3.35Å; K76-L78 PolarHBondContact O-N 3.23Å; L78-N80 PolarHBondContact O-N 3.47Å; L78-F82 HydrophobicContact CB-CD1 3.94Å; L78-F82 HydrophobicContact CB-CE1 3.87Å; L78-F82 VanDerWaalsContact O-CD1 3.27Å; L78-F82 WeakPolarHBondContact O-CD1 3.33Å; L78-F82 VanDerWaalsContact O-CE1 3.25Å; L78-F82 WeakPolarHBondContact O-CE1 3.48Å
79K60.9Low74.4Confident132 Ų13284 Ų8457%0.57440%0.399SS*.THydrogen-bonded Turntrans-65.6123.5-178.3-70.7-179.9179.3177.10109.5F74 W77F74-K79 HydrophobicContact CD1-CG 4.39Å; W77-K79 PolarHBondContact O-N 3.01Å; W77-K79 VanDerWaalsContact O-N 3.1Å
80N66.4Low73.8Confident151 Ų15184.2 Ų84.281%0.80740%0.401SS*.THydrogen-bonded Turntrans86.70.8174.3-46.9-21.3000117.9L78L78-N80 PolarHBondContact O-N 3.47Å
81N75.4Confident73.8Confident74 Ų7479.9 Ų79.940%0.39638%0.382SS..SBendtrans-110.26.4-178.5-64.6-26.3000114.6M1 F96M1-N81 HydrophobicContact CE-CB 4.02Å; M1-N81 HydrophobicContact SD-CB 3.54Å; M1-N81 VanDerWaalsContact SD-CB 3.54Å; N81-F96 PolarHBondContact O-N 3.29Å
82F81.6Confident74Confident24 Ų2474.4 Ų74.411%0.10536%0.361CS..EExtended strand (participates in β ladder)trans-149.3158.8174.275.6-80.6000112.9L73 L78 I84 Q94L73-F82 HydrophobicContact CB-CE1 3.66Å; L73-F82 HydrophobicContact CB-CE2 3.95Å; L73-F82 HydrophobicContact CB-CZ 3.33Å; L73-F82 HydrophobicContact CD1-CD2 4.02Å; L73-F82 HydrophobicContact CD1-CE1 4.43Å; L73-F82 HydrophobicContact CD1-CE2 3.77Å; L73-F82 HydrophobicContact CD1-CG 4.47Å; L73-F82 HydrophobicContact CD1-CZ 4.01Å; L73-F82 HydrophobicContact CG-CZ 4.33Å; L78-F82 HydrophobicContact CB-CD1 3.94Å; L78-F82 HydrophobicContact CB-CE1 3.87Å; L78-F82 VanDerWaalsContact O-CD1 3.27Å; L78-F82 WeakPolarHBondContact O-CD1 3.33Å; L78-F82 VanDerWaalsContact O-CE1 3.25Å; L78-F82 WeakPolarHBondContact O-CE1 3.48Å; F82-I84 HydrophobicContact CD2-CD1 4.39Å; F82-I84 HydrophobicContact CD2-CG1 4.06Å; F82-I84 HydrophobicContact CE2-CD1 4.13Å; F82-I84 HydrophobicContact CE2-CG1 4.18Å; F82-Q94 CarbonylContact C-O 3.52Å; F82-Q94 WeakPolarHBondContact CA-O 3.35Å; F82-Q94 WeakPolarHBondContact CB-O 3.47Å
83E85.1Confident74.2Confident82 Ų8274 Ų7438%0.38336%0.358SS..EExtended strand (participates in β ladder)trans-138.2140.1171.9-173.3-178.8171.100109.3Q85 Q94 F96E83-Q85 VanDerWaalsContact CD-NE2 3.29Å; E83-Q85 HydrophobicContact CG-CG 4.17Å; E83-Q85 PolarHBondContact OE1-NE2 3.1Å; E83-Q94 HydrophobicContact CB-CB 4.36Å; E83-Q94 PolarHBondContact N-O 2.92Å; E83-Q94 PolarHBondContact O-N 3.29Å; E83-F96 HydrophobicContact CB-CE2 3.73Å; E83-F96 HydrophobicContact CB-CZ 3.99Å
84I85.4Confident74.5Confident27 Ų2774.5 Ų74.514%0.13836%0.36CS..EExtended strand (participates in β ladder)trans-115122.6176-62.9-179.7000108.3L69 K70 F82 F91 T92 I93L69-I84 HydrophobicContact CD2-CD1 4.11Å; L69-I84 HydrophobicContact CG-CD1 4.27Å; K70-I84 HydrophobicContact CB-CD1 4.07Å; F82-I84 HydrophobicContact CD2-CD1 4.39Å; F82-I84 HydrophobicContact CD2-CG1 4.06Å; F82-I84 HydrophobicContact CE2-CD1 4.13Å; F82-I84 HydrophobicContact CE2-CG1 4.18Å; I84-F91 HydrophobicContact CG2-CB 4.34Å; I84-F91 HydrophobicContact CG2-CD2 3.7Å; I84-F91 HydrophobicContact CG2-CE2 4.39Å; I84-F91 HydrophobicContact CG2-CG 4.34Å; I84-T92 WeakPolarHBondContact CA-O 3.38Å; I84-I93 HydrophobicContact CG1-CG1 4.31Å; I84-I93 HydrophobicContact CG1-CG2 4.48Å
85Q84.5Confident75Confident74 Ų7470 Ų7035%0.34634%0.341SS..EExtended strand (participates in β ladder)trans-121.4131.6179.4-61.5178.9-12.600109.6E83 F91 T92 Q94E83-Q85 VanDerWaalsContact CD-NE2 3.29Å; E83-Q85 HydrophobicContact CG-CG 4.17Å; E83-Q85 PolarHBondContact OE1-NE2 3.1Å; Q85-F91 CarbonylContact O-C 3.42Å; Q85-F91 WeakPolarHBondContact O-CA 3.34Å; Q85-T92 PolarHBondContact N-O 3.23Å; Q85-T92 PolarHBondContact O-N 3.27Å; Q85-T92 PolarHBondContact O-OG1 3.27Å; Q85-Q94 VanDerWaalsContact OE1-NE2 3.11Å
86K80Confident75.5Confident123 Ų12368.7 Ų68.754%0.53533%0.328SS..EExtended strand (participates in β ladder)trans-71.5139.5176.5-63.1-170.1174.5-152.70110.1D63 D67D63-K86 VanDerWaalsContact OD1-CD 3.29Å; D63-K86 WeakPolarHBondContact OD1-CD 3.31Å; D63-K86 WeakPolarHBondContact OD1-CE 3.36Å; D63-K86 IonicContact OD1-NZ 3.3Å; D63-K86 PolarHBondContact OD1-NZ 3.24Å; D67-K86 IonicContact OD1-NZ 2.79Å; D67-K86 IonicContact OD2-NZ 3.1Å; D67-K86 PolarHBondContact OD2-NZ 3.4Å
87S68.5Low75.8Confident38 Ų3867.9 Ų67.927%0.26633%0.331SS..  trans-118.3178.4175.361.90000110.5D89 G90 F91S87-D89 VanDerWaalsContact C-N 3.34Å; S87-G90 PolarHBondContact N-O 2.97Å; S87-G90 PolarHBondContact OG-N 2.99Å; S87-G90 PolarHBondContact OG-O 3.36Å; S87-F91 PolarHBondContact OG-N 3.19Å
88L60.9Low76.5Confident137 Ų13766.8 Ų66.872%0.71733%0.332SS*.SBendtrans-64.3-39.4179.3-101.7145.1000112.2R59R59-L88 PolarHBondContact NH2-O 2.77Å
89D60.9Low77Confident123 Ų12371.7 Ų71.766%0.65836%0.359SS*.SBendtrans-107.44.5-173.1-58.7-49000114.1L62 S87L62-D89 WeakPolarHBondContact CD1-O 3.39Å; S87-D89 VanDerWaalsContact C-N 3.34Å
90G74.6Confident77.7Confident3 Ų369.2 Ų69.23%0.03135%0.349CS..SBendtrans166.7-130.8-17900000112.4S87S87-G90 PolarHBondContact N-O 2.97Å; S87-G90 PolarHBondContact OG-N 2.99Å; S87-G90 PolarHBondContact OG-O 3.36Å
91F85.4Confident78.4Confident2 Ų267.9 Ų67.91%0.00933%0.333CS..EExtended strand (participates in β ladder)trans-141.2158.5171.565.6-85.1000110.8L62 L69 I84 Q85 S87 I93 V106L62-F91 HydrophobicContact CB-CD1 4.31Å; L62-F91 HydrophobicContact CB-CE1 4.47Å; L62-F91 HydrophobicContact CD2-CE1 4.31Å; L62-F91 WeakPolarHBondContact O-CD1 3.48Å; L62-F91 VanDerWaalsContact O-CE1 3.24Å; L62-F91 WeakPolarHBondContact O-CE1 3.43Å; L69-F91 HydrophobicContact CD2-CE2 4.14Å; L69-F91 HydrophobicContact CD2-CZ 4.39Å; I84-F91 HydrophobicContact CG2-CB 4.34Å; I84-F91 HydrophobicContact CG2-CD2 3.7Å; I84-F91 HydrophobicContact CG2-CE2 4.39Å; I84-F91 HydrophobicContact CG2-CG 4.34Å; Q85-F91 CarbonylContact O-C 3.42Å; Q85-F91 WeakPolarHBondContact O-CA 3.34Å; S87-F91 PolarHBondContact OG-N 3.19Å; F91-I93 HydrophobicContact CD2-CG1 3.91Å; F91-I93 HydrophobicContact CE2-CD1 3.81Å; F91-I93 HydrophobicContact CE2-CG1 3.64Å; F91-V106 HydrophobicContact CD1-CB 4.23Å; F91-V106 HydrophobicContact CD2-CB 4.19Å; F91-V106 HydrophobicContact CD2-CG2 3.81Å; F91-V106 HydrophobicContact CE1-CB 3.97Å; F91-V106 HydrophobicContact CE1-CG1 3.8Å; F91-V106 HydrophobicContact CE1-CG2 4.41Å; F91-V106 HydrophobicContact CE2-CB 3.98Å; F91-V106 HydrophobicContact CE2-CG1 4.25Å; F91-V106 HydrophobicContact CE2-CG2 3.5Å; F91-V106 HydrophobicContact CG-CB 4.34Å; F91-V106 HydrophobicContact CG-CG2 4.44Å; F91-V106 HydrophobicContact CZ-CB 3.86Å; F91-V106 HydrophobicContact CZ-CG1 3.66Å; F91-V106 HydrophobicContact CZ-CG2 3.82Å; F91-V106 WeakPolarHBondContact O-CB 3.31Å; F91-V106 PolarHBondContact O-N 3.42Å
92T87.7Confident78.7Confident30 Ų3065.3 Ų65.318%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-112138.117659.80000109.5I84 Q85 F104I84-T92 WeakPolarHBondContact CA-O 3.38Å; Q85-T92 PolarHBondContact N-O 3.23Å; Q85-T92 PolarHBondContact O-N 3.27Å; Q85-T92 PolarHBondContact O-OG1 3.27Å; T92-F104 CarbonylContact C-O 3.59Å; T92-F104 WeakPolarHBondContact CA-O 3.28Å
93I87.8Confident78.9Confident0 Ų065.8 Ų65.80%033%0.325CS..EExtended strand (participates in β ladder)trans-108.3118.2173.1-52.7177.6000107.5I5 L41 L69 I84 F91 V95 S103 F104 V106I5-I93 HydrophobicContact CD1-CG2 4.17Å; I5-I93 HydrophobicContact CG2-CD1 3.97Å; L41-I93 HydrophobicContact CD1-CD1 3.91Å; L69-I93 HydrophobicContact CD2-CD1 3.57Å; I84-I93 HydrophobicContact CG1-CG1 4.31Å; I84-I93 HydrophobicContact CG1-CG2 4.48Å; F91-I93 HydrophobicContact CD2-CG1 3.91Å; F91-I93 HydrophobicContact CE2-CD1 3.81Å; F91-I93 HydrophobicContact CE2-CG1 3.64Å; I93-V95 HydrophobicContact CG2-CG2 4.12Å; I93-S103 CarbonylContact O-C 3.59Å; I93-F104 HydrophobicContact CB-CB 4.39Å; I93-F104 PolarHBondContact N-O 3.1Å; I93-F104 PolarHBondContact O-N 2.76Å; I93-V106 HydrophobicContact CD1-CG2 3.77Å; I93-V106 HydrophobicContact CG1-CG2 3.73Å
94Q86.8Confident79.1Confident11 Ų1162 Ų625%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-99.5130.3171.8-64.6174.98.500108.9F82 E83 Q85 F96 R101 I102F82-Q94 CarbonylContact C-O 3.52Å; F82-Q94 WeakPolarHBondContact CA-O 3.35Å; F82-Q94 WeakPolarHBondContact CB-O 3.47Å; E83-Q94 HydrophobicContact CB-CB 4.36Å; E83-Q94 PolarHBondContact N-O 2.92Å; E83-Q94 PolarHBondContact O-N 3.29Å; Q85-Q94 VanDerWaalsContact OE1-NE2 3.11Å; Q94-F96 HydrophobicContact CB-CE2 4.45Å; Q94-F96 HydrophobicContact CB-CZ 4.12Å; Q94-R101 VanDerWaalsContact NE2-NH2 3.17Å; Q94-I102 CarbonylContact C-O 3.29Å; Q94-I102 WeakPolarHBondContact CA-O 3.34Å
95V85.3Confident79.2Confident5 Ų564.5 Ų64.53%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-114.9128.1179.8-178.30000108M1 I5 I93 R101 I102 F104M1-V95 HydrophobicContact CB-CG1 4.33Å; M1-V95 HydrophobicContact CE-CG1 3.5Å; M1-V95 VanDerWaalsContact CE-CG1 3.5Å; M1-V95 HydrophobicContact CG-CG1 3.65Å; M1-V95 HydrophobicContact SD-CG1 3.67Å; I5-V95 HydrophobicContact CD1-CG2 3.87Å; I93-V95 HydrophobicContact CG2-CG2 4.12Å; V95-R101 WeakPolarHBondContact O-CA 3.41Å; V95-I102 PolarHBondContact N-O 2.72Å; V95-I102 PolarHBondContact O-N 2.79Å; V95-F104 HydrophobicContact CG2-CD2 4.15Å; V95-F104 HydrophobicContact CG2-CE2 4.16Å
96F82.3Confident79.5Confident56 Ų5661 Ų6125%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-105.7136.6-178.2-52.5-80.1000110.5M1 N81 E83 Q94 R101M1-F96 VanDerWaalsContact CE-O 3.29Å; M1-F96 WeakPolarHBondContact CE-O 3.49Å; N81-F96 PolarHBondContact O-N 3.29Å; E83-F96 HydrophobicContact CB-CE2 3.73Å; E83-F96 HydrophobicContact CB-CZ 3.99Å; Q94-F96 HydrophobicContact CB-CE2 4.45Å; Q94-F96 HydrophobicContact CB-CZ 4.12Å; F96-R101 HydrophobicContact CD1-CB 4.22Å; F96-R101 HydrophobicContact CD1-CG 3.89Å; F96-R101 HydrophobicContact CE1-CG 3.76Å
97T74.9Confident80Confident74 Ų7457.1 Ų57.145%0.45429%0.287SS..EExtended strand (participates in β ladder)trans-122.8168.1165.4670000108.1M1 N99 Q100M1-T97 HydrophobicContact CE-CG2 4.46Å; T97-N99 PolarHBondContact O-N 3.32Å; T97-Q100 PolarHBondContact N-O 2.77Å; T97-Q100 PolarHBondContact O-N 2.89Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.22Å; T97-Q100 PolarHBondContact OG1-N 2.84Å; T97-Q100 VanDerWaalsContact OG1-N 3.09Å; T97-Q100 PolarHBondContact OG1-O 2.88Å
98K71.9Confident81.1Confident209 Ų20956 Ų5691%0.90928%0.28SS*.THydrogen-bonded Turntrans-51.1-30.6179.7-70.2-173.4178.5-177.80113.7
99N70.9Confident82.6Confident131 Ų13149.5 Ų49.570%0.70125%0.246SC*.THydrogen-bonded Turntrans-124.5-3.5-169.8-62.7-8.6000114.4T97T97-N99 PolarHBondContact O-N 3.32Å
100Q74.9Confident84Confident79 Ų7945.2 Ų45.237%0.36922%0.222SC..EExtended strand (participates in β ladder)trans-152.1147.8-174.5-64.3-176.4-3.700111.7T97T97-Q100 PolarHBondContact N-O 2.77Å; T97-Q100 PolarHBondContact O-N 2.89Å; T97-Q100 WeakPolarHBondContact OG1-CB 3.22Å; T97-Q100 PolarHBondContact OG1-N 2.84Å; T97-Q100 VanDerWaalsContact OG1-N 3.09Å; T97-Q100 PolarHBondContact OG1-O 2.88Å
101R81.1Confident84.7Confident124 Ų12446.3 Ų46.347%0.46823%0.227SC..EExtended strand (participates in β ladder)trans-111.5137166.9179.1-179.8-178-174-1.2107.3S37 Q94 V95 F96S37-R101 PolarHBondContact OG-O 2.91Å; Q94-R101 VanDerWaalsContact NE2-NH2 3.17Å; V95-R101 WeakPolarHBondContact O-CA 3.41Å; F96-R101 HydrophobicContact CD1-CB 4.22Å; F96-R101 HydrophobicContact CD1-CG 3.89Å; F96-R101 HydrophobicContact CE1-CG 3.76Å
102I81.9Confident84.7Confident20 Ų2046.3 Ų46.310%0.10323%0.228CC..EExtended strand (participates in β ladder)trans-129.1120.3175.2-53.7179.5000109Y27 Q94 V95 F104Y27-I102 HydrophobicContact CD2-CD1 4.07Å; Y27-I102 HydrophobicContact CD2-CG2 4.14Å; Y27-I102 HydrophobicContact CE2-CD1 3.72Å; Q94-I102 CarbonylContact C-O 3.29Å; Q94-I102 WeakPolarHBondContact CA-O 3.34Å; V95-I102 PolarHBondContact N-O 2.72Å; V95-I102 PolarHBondContact O-N 2.79Å; I102-F104 HydrophobicContact CB-CE2 4.05Å; I102-F104 HydrophobicContact CG2-CD2 4.08Å; I102-F104 HydrophobicContact CG2-CE2 3.42Å; I102-F104 VanDerWaalsContact CG2-CE2 3.42Å; I102-F104 HydrophobicContact CG2-CZ 3.74Å
103S86.2Confident84.4Confident34 Ų3445.4 Ų45.424%0.23822%0.222CC..EExtended strand (participates in β ladder)trans-89.9133171.7-54.70000111G39 I93G39-S103 PolarHBondContact N-O 2.95Å; I93-S103 CarbonylContact O-C 3.59Å
104F88.3Confident83.1Confident1 Ų149 Ų490%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-116.2120.5171.3-68.9-91.2000109.2V2 I23 Y27 G39 L41 T92 I93 V95 I102V2-F104 HydrophobicContact CB-CZ 4.35Å; V2-F104 HydrophobicContact CG1-CE1 4.08Å; V2-F104 HydrophobicContact CG1-CE2 4.43Å; V2-F104 HydrophobicContact CG1-CZ 3.85Å; V2-F104 HydrophobicContact CG2-CE2 3.58Å; V2-F104 HydrophobicContact CG2-CZ 3.52Å; I23-F104 HydrophobicContact CG2-CE1 4.49Å; Y27-F104 AromaticContact CD1-CE1 3.77Å; Y27-F104 HydrophobicContact CD1-CE1 3.77Å; Y27-F104 AromaticContact CD1-CZ 3.84Å; Y27-F104 HydrophobicContact CD1-CZ 3.84Å; Y27-F104 HydrophobicContact CD2-CE1 4.17Å; Y27-F104 AromaticContact CD2-CZ 3.67Å; Y27-F104 HydrophobicContact CD2-CZ 3.67Å; Y27-F104 HydrophobicContact CE1-CE1 4.31Å; Y27-F104 HydrophobicContact CE1-CZ 4.04Å; Y27-F104 AromaticContact CE2-CZ 3.9Å; Y27-F104 HydrophobicContact CE2-CZ 3.9Å; Y27-F104 AromaticContact CG-CE1 3.68Å; Y27-F104 HydrophobicContact CG-CE1 3.68Å; Y27-F104 AromaticContact CG-CZ 3.65Å; Y27-F104 HydrophobicContact CG-CZ 3.65Å; G39-F104 VanDerWaalsContact O-CA 3.29Å; G39-F104 WeakPolarHBondContact O-CA 3.48Å; L41-F104 HydrophobicContact CD1-CB 4.01Å; L41-F104 HydrophobicContact CD1-CD1 4.34Å; L41-F104 HydrophobicContact CD1-CG 4.22Å; L41-F104 HydrophobicContact CD2-CD1 4.31Å; L41-F104 HydrophobicContact CG-CB 4.08Å; L41-F104 HydrophobicContact CG-CD1 3.87Å; L41-F104 HydrophobicContact CG-CG 4.2Å; T92-F104 CarbonylContact C-O 3.59Å; T92-F104 WeakPolarHBondContact CA-O 3.28Å; I93-F104 HydrophobicContact CB-CB 4.39Å; I93-F104 PolarHBondContact N-O 3.1Å; I93-F104 PolarHBondContact O-N 2.76Å; V95-F104 HydrophobicContact CG2-CD2 4.15Å; V95-F104 HydrophobicContact CG2-CE2 4.16Å; I102-F104 HydrophobicContact CB-CE2 4.05Å; I102-F104 HydrophobicContact CG2-CD2 4.08Å; I102-F104 HydrophobicContact CG2-CE2 3.42Å; I102-F104 VanDerWaalsContact CG2-CE2 3.42Å; I102-F104 HydrophobicContact CG2-CZ 3.74Å
105E89.4Confident81.4Confident80 Ų8057 Ų5737%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-78.6130.4166.6-175.8171.8-154.700109.6G39 T40 L41 L107G39-E105 PolarHBondContact O-N 3.21Å; T40-E105 CarbonylContact C-O 3.59Å; T40-E105 VanDerWaalsContact CA-O 3.28Å; T40-E105 WeakPolarHBondContact CA-O 3.14Å; T40-E105 WeakPolarHBondContact CG2-O 3.39Å; L41-E105 PolarHBondContact N-O 2.9Å; E105-L107 HydrophobicContact CG-CD2 3.92Å; E105-L107 HydrophobicContact CG-CG 4.22Å
106V90.3Very high80.1Confident0 Ų062.7 Ų62.70%032%0.319CS..EExtended strand (participates in β ladder)trans-101.3120179.5-171.70000110L41 L43 L62 F91 I93L41-V106 HydrophobicContact CB-CG2 4.26Å; L41-V106 HydrophobicContact CD1-CG2 4.48Å; L41-V106 CarbonylContact O-C 3.54Å; L41-V106 VanDerWaalsContact O-CA 3.28Å; L41-V106 WeakPolarHBondContact O-CA 3.36Å; L43-V106 HydrophobicContact CD1-CG1 3.66Å; L43-V106 HydrophobicContact CD2-CG1 4.4Å; L43-V106 HydrophobicContact CG-CG1 3.78Å; L62-V106 HydrophobicContact CD2-CG1 4.32Å; F91-V106 HydrophobicContact CD1-CB 4.23Å; F91-V106 HydrophobicContact CD2-CB 4.19Å; F91-V106 HydrophobicContact CD2-CG2 3.81Å; F91-V106 HydrophobicContact CE1-CB 3.97Å; F91-V106 HydrophobicContact CE1-CG1 3.8Å; F91-V106 HydrophobicContact CE1-CG2 4.41Å; F91-V106 HydrophobicContact CE2-CB 3.98Å; F91-V106 HydrophobicContact CE2-CG1 4.25Å; F91-V106 HydrophobicContact CE2-CG2 3.5Å; F91-V106 HydrophobicContact CG-CB 4.34Å; F91-V106 HydrophobicContact CG-CG2 4.44Å; F91-V106 HydrophobicContact CZ-CB 3.86Å; F91-V106 HydrophobicContact CZ-CG1 3.66Å; F91-V106 HydrophobicContact CZ-CG2 3.82Å; F91-V106 WeakPolarHBondContact O-CB 3.31Å; F91-V106 PolarHBondContact O-N 3.42Å; I93-V106 HydrophobicContact CD1-CG2 3.77Å; I93-V106 HydrophobicContact CG1-CG2 3.73Å
107L90.6Very high79Confident43 Ų4365.7 Ų65.723%0.22534%0.338CS..EExtended strand (participates in β ladder)trans-119.3146.7-177.2-58.9179.2000110.9T40 L41 V42 L43 E105 V143T40-L107 HydrophobicContact CG2-CD1 3.65Å; T40-L107 HydrophobicContact CG2-CG 3.95Å; L41-L107 PolarHBondContact O-N 3.35Å; V42-L107 CarbonylContact C-O 3.51Å; V42-L107 WeakPolarHBondContact CA-O 3.24Å; L43-L107 PolarHBondContact N-O 3.44Å; E105-L107 HydrophobicContact CG-CD2 3.92Å; E105-L107 HydrophobicContact CG-CG 4.22Å; L107-V143 HydrophobicContact CB-CG2 4.05Å; L107-V143 HydrophobicContact CD1-CG2 3.86Å
108A91.4Very high78.8Confident14 Ų1468.1 Ų68.112%0.11635%0.348CS..EExtended strand (participates in β ladder)trans-94.5133.6172.300000110.4F45 L48 Q58 L62F45-A108 HydrophobicContact CD2-CB 3.68Å; F45-A108 HydrophobicContact CE2-CB 3.65Å; L48-A108 HydrophobicContact CD1-CB 4.3Å; Q58-A108 HydrophobicContact CB-CB 3.82Å; Q58-A108 HydrophobicContact CG-CB 3.92Å; L62-A108 HydrophobicContact CD1-CB 4.05Å; L62-A108 HydrophobicContact CD2-CB 4.04Å; L62-A108 HydrophobicContact CG-CB 4.11Å
109A92.1Very high79.2Confident0 Ų059 Ų590%031%0.31CS..EExtended strand (participates in β ladder)trans-142.4163.1179.500000113.7V42 L43 F44 F45 L48 V143V42-A109 HydrophobicContact CG1-CB 3.4Å; V42-A109 VanDerWaalsContact CG1-CB 3.4Å; L43-A109 PolarHBondContact O-N 2.97Å; F44-A109 VanDerWaalsContact CA-O 3.31Å; F44-A109 WeakPolarHBondContact CA-O 3.32Å; F44-A109 HydrophobicContact CD1-CB 3.95Å; F44-A109 HydrophobicContact CE1-CB 3.93Å; F45-A109 PolarHBondContact N-O 3.22Å; L48-A109 WeakPolarHBondContact CD1-O 3.39Å; A109-V143 HydrophobicContact CB-CG1 4.06Å; A109-V143 HydrophobicContact CB-CG2 4.17Å
110F90.7Very high80Confident33 Ų3355 Ų5515%0.14529%0.293CS..  trans-85.8135.6170.1159.8-120.3000107.5L48 K49 F51 A112 C144L48-F110 HydrophobicContact CB-CB 4.13Å; L48-F110 VanDerWaalsContact O-CD2 3.29Å; L48-F110 WeakPolarHBondContact O-CD2 3.28Å; K49-F110 VanDerWaalsContact C-CD2 3.44Å; K49-F110 WeakPolarHBondContact O-CE2 3.44Å; K49-F110 WeakPolarHBondContact O-CZ 3.5Å; F51-F110 HydrophobicContact CD1-CD1 4.13Å; F51-F110 HydrophobicContact CD2-CD1 4.46Å; F51-F110 HydrophobicContact CD2-CE1 4.32Å; F51-F110 HydrophobicContact CE1-CD1 4.29Å; F51-F110 HydrophobicContact CE2-CE1 4.19Å; F51-F110 HydrophobicContact CG-CD1 4.23Å; F51-F110 HydrophobicContact CZ-CE1 4.32Å; F110-A112 HydrophobicContact CD1-CB 4.48Å; F110-A112 HydrophobicContact CE1-CB 4.24Å; F110-A112 PolarHBondContact O-N 3.18Å; F110-A112 VanDerWaalsContact O-N 3.12Å; F110-C144 WeakPolarHBondContact O-CB 3.37Å
111N89.1Confident80.6Confident26 Ų2654.3 Ų54.314%0.13930%0.295CS..  trans-78.995.6175.3-171.2-16.9000110.5F44 L113 S114F44-N111 HydrophobicContact CB-CB 3.96Å; F44-N111 HydrophobicContact CD1-CB 3.91Å; F44-N111 HydrophobicContact CD2-CB 4.46Å; F44-N111 HydrophobicContact CG-CB 3.86Å; N111-L113 PolarHBondContact O-N 2.96Å; N111-L113 PolarHBondContact OD1-N 3.22Å; N111-S114 PolarHBondContact OD1-N 2.98Å
112A85.7Confident81Confident3 Ų355.9 Ų55.93%0.02530%0.301CS..SBendtrans-66.2-22.9179.700000113.7F51 F110 I123 C144 F145F51-A112 HydrophobicContact CE1-CB 3.92Å; F51-A112 HydrophobicContact CZ-CB 3.73Å; F110-A112 HydrophobicContact CD1-CB 4.48Å; F110-A112 HydrophobicContact CE1-CB 4.24Å; F110-A112 PolarHBondContact O-N 3.18Å; F110-A112 VanDerWaalsContact O-N 3.12Å; A112-I123 HydrophobicContact CB-CG2 4.16Å; A112-I123 WeakPolarHBondContact O-CD1 3.49Å; A112-C144 HydrophobicContact CB-CB 4.26Å; A112-F145 HydrophobicContact CB-CD1 4.2Å; A112-F145 HydrophobicContact CB-CE1 3.86Å; A112-F145 HydrophobicContact CB-CZ 4.45Å
113L81Confident81.5Confident11 Ų1155.7 Ų55.76%0.05830%0.3CS..SBendtrans-98.2-23.7-170-57.1170.8000113.4N111 L115 N116 P119 E147 L148N111-L113 PolarHBondContact O-N 2.96Å; N111-L113 PolarHBondContact OD1-N 3.22Å; L113-L115 PolarHBondContact O-N 3.37Å; L113-N116 PolarHBondContact O-N 3.47Å; L113-P119 HydrophobicContact CD2-CB 4.19Å; L113-E147 HydrophobicContact CD1-CB 4.02Å; L113-L148 HydrophobicContact CD1-CD1 4.39Å; L113-L148 HydrophobicContact CD1-CD2 3.9Å; L113-L148 HydrophobicContact CD1-CG 3.64Å; L113-L148 HydrophobicContact CD2-CD1 3.77Å; L113-L148 HydrophobicContact CD2-CD2 4.17Å; L113-L148 HydrophobicContact CD2-CG 3.92Å; L113-L148 HydrophobicContact CG-CG 4.38Å
114S60.5Low81.8Confident76 Ų7654.2 Ų54.253%0.53129%0.289SS..THydrogen-bonded Turntrans31.830.4165.156.60000118.8N111N111-S114 PolarHBondContact OD1-N 2.98Å
115L51.6Low82.1Confident179 Ų17960 Ų6094%0.93731%0.311SS*.THydrogen-bonded Turntrans127.8-9.1168.7-67.8157000115.6L113L113-L115 PolarHBondContact O-N 3.37Å
116N57.3Low82.3Confident123 Ų12357.4 Ų57.466%0.65830%0.299SS*.  trans-105.4133.8178.3-85.1-24000112.3L113 N118L113-N116 PolarHBondContact O-N 3.47Å; N116-N118 VanDerWaalsContact C-N 3.26Å; N116-N118 PolarHBondContact O-N 3.27Å
117D59.7Low82.4Confident120 Ų12057.4 Ų57.464%0.64230%0.299SS*.SBendtrans-68.1-23.9-179.3-85.2-40000114K151D117-K151 IonicContact OD1-NZ 3.25Å; D117-K151 PolarHBondContact OD1-NZ 3.35Å
118N69.8Low82.6Confident125 Ų12558.8 Ų58.867%0.66830%0.303SS*.SBendtrans-117.1131.2178.5-72.2-26.3000111N116 S120N116-N118 VanDerWaalsContact C-N 3.26Å; N116-N118 PolarHBondContact O-N 3.27Å; N118-S120 PolarHBondContact O-N 3.36Å
119P81.3Confident82.7Confident16 Ų1664.8 Ų64.810%0.10432%0.322CS..  trans-68131.1179.126.8-31.9000110.7L113 I123 Y124 L148 N232L113-P119 HydrophobicContact CD2-CB 4.19Å; P119-I123 HydrophobicContact CB-CD1 4.09Å; P119-Y124 HydrophobicContact CB-CE2 3.84Å; P119-Y124 HydrophobicContact CG-CE2 3.99Å; P119-Y124 WeakPolarHBondContact CG-OH 3.15Å; P119-L148 HydrophobicContact CB-CD1 4.33Å; P119-L148 HydrophobicContact CG-CD1 3.84Å; P119-N232 HydrophobicContact CG-CB 3.81Å; P119-N232 WeakPolarHBondContact CG-O 3.37Å
120S86.4Confident82.9Confident49 Ų4964.8 Ų64.834%0.34332%0.322SS..  trans-76.2153.8171.673.30000110.7N118 W122 I123N118-S120 PolarHBondContact O-N 3.36Å; S120-W122 PolarHBondContact O-N 3.04Å; S120-I123 PolarHBondContact O-N 3.12Å
121P88.8Confident83Confident63 Ų6363.7 Ų63.741%0.40932%0.318SS..Hα-helixtrans-54.9-27.6174.5-27.335.1000113.8I123 Y124 R125 D237 I240P121-I123 VanDerWaalsContact C-N 3.3Å; P121-I123 PolarHBondContact O-N 3.19Å; P121-Y124 PolarHBondContact O-N 2.57Å; P121-R125 PolarHBondContact O-N 2.76Å; P121-D237 HydrophobicContact CB-CB 4.15Å; P121-I240 HydrophobicContact CB-CD1 4.05Å
122W89.9Confident83.2Confident158 Ų15866.6 Ų66.660%0.59833%0.334SS*.Hα-helixtrans-59.6-38.1177.8-178.890.1000112.8S120 Y124 R125 E126S120-W122 PolarHBondContact O-N 3.04Å; W122-Y124 VanDerWaalsContact C-N 3.29Å; W122-Y124 PolarHBondContact O-N 2.93Å; W122-R125 WeakPolarHBondContact O-CB 3.08Å; W122-R125 PolarHBondContact O-N 3.02Å; W122-E126 HydrophobicContact CH2-CB 4.44Å; W122-E126 HydrophobicContact CH2-CG 4.44Å; W122-E126 PolarHBondContact O-N 2.87Å
123I91.9Very high83.6Confident16 Ų1671.4 Ų71.48%0.08235%0.354CS..Hα-helixtrans-60.9-41.8179.8-66.1165.9000110.5F51 A112 P119 S120 P121 E126 L127 F145F51-I123 HydrophobicContact CE2-CG2 4.21Å; F51-I123 HydrophobicContact CZ-CG2 3.85Å; A112-I123 HydrophobicContact CB-CG2 4.16Å; A112-I123 WeakPolarHBondContact O-CD1 3.49Å; P119-I123 HydrophobicContact CB-CD1 4.09Å; S120-I123 PolarHBondContact O-N 3.12Å; P121-I123 VanDerWaalsContact C-N 3.3Å; P121-I123 PolarHBondContact O-N 3.19Å; I123-E126 PolarHBondContact O-N 3Å; I123-L127 WeakPolarHBondContact O-CB 3.18Å; I123-L127 PolarHBondContact O-N 3.17Å; I123-F145 HydrophobicContact CG2-CE1 3.83Å; I123-F145 HydrophobicContact CG2-CZ 4.11Å
124Y93.1Very high84.2Confident2 Ų272.8 Ų72.81%0.00836%0.363CS..Hα-helixtrans-72.1-31.8178.8-63.8-65.2000113.2P119 P121 W122 L127 K128 F145 N232 Y233 I240 V259 P261P119-Y124 HydrophobicContact CB-CE2 3.84Å; P119-Y124 HydrophobicContact CG-CE2 3.99Å; P119-Y124 WeakPolarHBondContact CG-OH 3.15Å; P121-Y124 PolarHBondContact O-N 2.57Å; W122-Y124 VanDerWaalsContact C-N 3.29Å; W122-Y124 PolarHBondContact O-N 2.93Å; Y124-L127 HydrophobicContact CD1-CD2 4.28Å; Y124-L127 PolarHBondContact O-N 3.49Å; Y124-K128 PolarHBondContact O-N 3.38Å; Y124-F145 HydrophobicContact CE1-CE1 4.3Å; Y124-F145 HydrophobicContact CE1-CZ 4.21Å; Y124-N232 VanDerWaalsContact CE2-O 3.31Å; Y124-N232 WeakPolarHBondContact CE2-O 3.3Å; Y124-N232 WeakPolarHBondContact OH-CB 3.15Å; Y124-Y233 HydrophobicContact CE1-CD1 4.3Å; Y124-I240 HydrophobicContact CD2-CD1 3.76Å; Y124-I240 HydrophobicContact CG-CD1 4.09Å; Y124-I240 HydrophobicContact CG-CG1 4.49Å; Y124-V259 VanDerWaalsContact CE1-O 3.29Å; Y124-V259 WeakPolarHBondContact CE1-O 3.43Å; Y124-V259 PolarHBondContact OH-O 3.21Å; Y124-V259 VanDerWaalsContact OH-O 3.08Å; Y124-P261 VanDerWaalsContact CD1-CD 3.5Å; Y124-P261 HydrophobicContact CD1-CG 3.75Å; Y124-P261 VanDerWaalsContact CE1-CD 3.47Å; Y124-P261 HydrophobicContact CE1-CG 4.16Å; Y124-P261 HydrophobicContact CG-CG 4.39Å
125R93.1Very high85.7Confident123 Ų12376.4 Ų76.446%0.46438%0.376SS..Hα-helixtrans-64.2-43170.9-65.2177.3-172.7176.1-1.6110.9P121 W122 K128 R129 D237 T239P121-R125 PolarHBondContact O-N 2.76Å; W122-R125 WeakPolarHBondContact O-CB 3.08Å; W122-R125 PolarHBondContact O-N 3.02Å; R125-K128 PolarHBondContact O-N 2.66Å; R125-R129 WeakPolarHBondContact O-CB 3.13Å; R125-R129 PolarHBondContact O-N 2.84Å; R125-D237 IonicContact CZ-OD2 3.03Å; R125-D237 IonicContact NE-OD1 2.85Å; R125-D237 IonicContact NE-OD2 2.58Å; R125-D237 PolarHBondContact NE-OD2 3.42Å; R125-D237 IonicContact NH2-OD2 3.65Å; R125-D237 PolarHBondContact NH2-OD2 2.79Å; R125-T239 HydrophobicContact CG-CG2 4.22Å
126E93.1Very high87.7Confident25 Ų2568.5 Ų68.512%0.11734%0.337CS..Hα-helixtrans-71.2-34.3177.9-167.956.5-146.200112.3F51 W122 I123 R129 S130F51-E126 HydrophobicContact CD2-CG 4.44Å; W122-E126 HydrophobicContact CH2-CB 4.44Å; W122-E126 HydrophobicContact CH2-CG 4.44Å; W122-E126 PolarHBondContact O-N 2.87Å; I123-E126 PolarHBondContact O-N 3Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 WeakPolarHBondContact OE2-CD 3.07Å; E126-R129 IonicContact OE2-NH1 3.99Å; E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.38Å; E126-S130 PolarHBondContact O-N 2.9Å; E126-S130 PolarHBondContact O-OG 3.34Å
127L94.3Very high89.3Confident1 Ų165.8 Ų65.81%0.00533%0.328CS..Hα-helixtrans-56-53169.3174.967.4000110.5F51 I123 Y124 R129 S130 L131 F141 F145 T262F51-L127 HydrophobicContact CD1-CD1 3.93Å; F51-L127 HydrophobicContact CD2-CB 4.19Å; F51-L127 HydrophobicContact CD2-CD1 4.44Å; F51-L127 HydrophobicContact CE1-CD1 4Å; F51-L127 HydrophobicContact CE2-CB 3.87Å; F51-L127 HydrophobicContact CG-CD1 4.15Å; F51-L127 HydrophobicContact CZ-CB 4.12Å; F51-L127 HydrophobicContact CZ-CD1 4.29Å; I123-L127 WeakPolarHBondContact O-CB 3.18Å; I123-L127 PolarHBondContact O-N 3.17Å; Y124-L127 HydrophobicContact CD1-CD2 4.28Å; Y124-L127 PolarHBondContact O-N 3.49Å; L127-R129 PolarHBondContact O-N 3.47Å; L127-S130 PolarHBondContact O-N 2.98Å; L127-L131 HydrophobicContact CG-CD1 4.29Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 2.93Å; L127-F141 HydrophobicContact CD1-CB 3.86Å; L127-F141 HydrophobicContact CD1-CD2 3.86Å; L127-F141 HydrophobicContact CD1-CG 4.37Å; L127-F145 HydrophobicContact CD1-CE2 4.19Å; L127-F145 HydrophobicContact CD2-CE2 3.85Å; L127-F145 HydrophobicContact CD2-CZ 4.07Å; L127-T262 HydrophobicContact CD2-CG2 4.23Å
128K94.1Very high90.8Very high71 Ų7163.9 Ų63.931%0.30932%0.322SS..Hα-helixtrans-59.9-46.4178.7178.454.2179.4154.20111.8Y124 R125 S130 L131 D132 T239 I243Y124-K128 PolarHBondContact O-N 3.38Å; R125-K128 PolarHBondContact O-N 2.66Å; K128-S130 VanDerWaalsContact C-N 3.28Å; K128-S130 PolarHBondContact O-N 3.18Å; K128-L131 PolarHBondContact O-N 2.97Å; K128-D132 WeakPolarHBondContact CE-OD1 3.46Å; K128-D132 WeakPolarHBondContact CE-OD2 3.4Å; K128-D132 IonicContact NZ-OD1 3.09Å; K128-D132 PolarHBondContact NZ-OD1 2.77Å; K128-D132 IonicContact NZ-OD2 2.83Å; K128-D132 PolarHBondContact NZ-OD2 3.07Å; K128-D132 VanDerWaalsContact O-CG 3.32Å; K128-D132 PolarHBondContact O-N 3.23Å; K128-T239 HydrophobicContact CB-CG2 4.39Å; K128-T239 HydrophobicContact CG-CG2 4.3Å; K128-I243 HydrophobicContact CB-CD1 3.93Å; K128-I243 HydrophobicContact CD-CD1 4.25Å; K128-I243 HydrophobicContact CD-CG1 4.4Å; K128-I243 HydrophobicContact CG-CD1 4.08Å
129R94.1Very high91.8Very high140 Ų14058.6 Ų58.653%0.52830%0.296SS..Hα-helixtrans-59-40.2176.9-171.1-175.6-173.1-171.53.2112.1R125 E126 L127 K133R125-R129 WeakPolarHBondContact O-CB 3.13Å; R125-R129 PolarHBondContact O-N 2.84Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 WeakPolarHBondContact OE2-CD 3.07Å; E126-R129 IonicContact OE2-NH1 3.99Å; L127-R129 PolarHBondContact O-N 3.47Å; R129-K133 HydrophobicContact CG-CD 4.35Å; R129-K133 WeakPolarHBondContact O-CB 3.44Å; R129-K133 VanDerWaalsContact O-CG 3.29Å; R129-K133 WeakPolarHBondContact O-CG 3.24Å; R129-K133 PolarHBondContact O-N 2.91Å
130S94.6Very high92.3Very high0 Ų061.7 Ų61.70%031%0.31CS..Hα-helixtrans-68.7-44.1178.5-62.80000111.3E126 L127 K128 D132 K133 T134E126-S130 VanDerWaalsContact O-CB 3.31Å; E126-S130 WeakPolarHBondContact O-CB 3.38Å; E126-S130 PolarHBondContact O-N 2.9Å; E126-S130 PolarHBondContact O-OG 3.34Å; L127-S130 PolarHBondContact O-N 2.98Å; K128-S130 VanDerWaalsContact C-N 3.28Å; K128-S130 PolarHBondContact O-N 3.18Å; S130-D132 VanDerWaalsContact C-N 3.3Å; S130-D132 PolarHBondContact O-N 2.86Å; S130-K133 PolarHBondContact O-N 2.79Å; S130-T134 PolarHBondContact O-N 2.77Å; S130-T134 PolarHBondContact O-OG1 3.22Å
131L94.3Very high92.7Very high11 Ų1159.5 Ų59.56%0.05829%0.294CS..Hα-helixtrans-54.8-47.8174.9-72.8169.3000111.4L127 K128 T134 N135 A136 S137 F141 T262L127-L131 HydrophobicContact CG-CD1 4.29Å; L127-L131 WeakPolarHBondContact O-CG 3.29Å; L127-L131 PolarHBondContact O-N 2.93Å; K128-L131 PolarHBondContact O-N 2.97Å; L131-T134 PolarHBondContact O-N 2.99Å; L131-N135 WeakPolarHBondContact O-CA 3.35Å; L131-N135 PolarHBondContact O-N 2.75Å; L131-A136 HydrophobicContact CD2-CB 3.63Å; L131-A136 PolarHBondContact O-N 2.79Å; L131-S137 VanDerWaalsContact CD2-O 3.3Å; L131-S137 WeakPolarHBondContact CD2-O 3.46Å; L131-F141 HydrophobicContact CD2-CD2 3.69Å; L131-F141 HydrophobicContact CD2-CE2 3.71Å; L131-F141 HydrophobicContact CG-CD2 4.06Å; L131-F141 HydrophobicContact CG-CE2 4.07Å; L131-T262 HydrophobicContact CD1-CG2 3.75Å
132D92.8Very high92.9Very high86 Ų8657.1 Ų57.146%0.4628%0.28SS..Hα-helixtrans-66.4-41.7-179.4-66.5-22.4000112.2K128 S130 T134K128-D132 WeakPolarHBondContact CE-OD1 3.46Å; K128-D132 WeakPolarHBondContact CE-OD2 3.4Å; K128-D132 IonicContact NZ-OD1 3.09Å; K128-D132 PolarHBondContact NZ-OD1 2.77Å; K128-D132 IonicContact NZ-OD2 2.83Å; K128-D132 PolarHBondContact NZ-OD2 3.07Å; K128-D132 VanDerWaalsContact O-CG 3.32Å; K128-D132 PolarHBondContact O-N 3.23Å; S130-D132 VanDerWaalsContact C-N 3.3Å; S130-D132 PolarHBondContact O-N 2.86Å; D132-T134 VanDerWaalsContact C-N 3.35Å; D132-T134 PolarHBondContact O-N 2.94Å
133K94.8Very high92.9Very high105 Ų10551 Ų5146%0.45726%0.26SS..Hα-helixtrans-65.4-36.5178-78.8175.1-179.11690113.1R129 S130R129-K133 HydrophobicContact CG-CD 4.35Å; R129-K133 WeakPolarHBondContact O-CB 3.44Å; R129-K133 VanDerWaalsContact O-CG 3.29Å; R129-K133 WeakPolarHBondContact O-CG 3.24Å; R129-K133 PolarHBondContact O-N 2.91Å; S130-K133 PolarHBondContact O-N 2.79Å
134T92.9Very high93Very high39 Ų3950.3 Ų50.324%0.23926%0.256CS..Hα-helixtrans-98.2-0.3-174.4610000113.8Q52 K55 S130 L131 D132 A136Q52-T134 HydrophobicContact CB-CG2 3.48Å; Q52-T134 VanDerWaalsContact CB-CG2 3.48Å; K55-T134 HydrophobicContact CG-CG2 4.09Å; S130-T134 PolarHBondContact O-N 2.77Å; S130-T134 PolarHBondContact O-OG1 3.22Å; L131-T134 PolarHBondContact O-N 2.99Å; D132-T134 VanDerWaalsContact C-N 3.35Å; D132-T134 PolarHBondContact O-N 2.94Å; T134-A136 PolarHBondContact O-N 2.87Å; T134-A136 VanDerWaalsContact OG1-CB 3.24Å; T134-A136 WeakPolarHBondContact OG1-CB 3.28Å
135N91.8Very high93Very high152 Ų15250.2 Ų50.281%0.81326%0.256SS*.THydrogen-bonded Turntrans48.240.7-167.7-67.1-30.8000112L131L131-N135 WeakPolarHBondContact O-CA 3.35Å; L131-N135 PolarHBondContact O-N 2.75Å
136A92.8Very high93Very high14 Ų1444.7 Ų44.712%0.11624%0.236CC..PPolyproline II helixtrans-78.9150.4-179.800000110.8L131 T134 E140 F141L131-A136 HydrophobicContact CD2-CB 3.63Å; L131-A136 PolarHBondContact O-N 2.79Å; T134-A136 PolarHBondContact O-N 2.87Å; T134-A136 VanDerWaalsContact OG1-CB 3.24Å; T134-A136 WeakPolarHBondContact OG1-CB 3.28Å; A136-E140 WeakPolarHBondContact CA-OE2 3.36Å; A136-E140 HydrophobicContact CB-CB 4.31Å; A136-E140 WeakPolarHBondContact CB-OE2 3.5Å; A136-F141 HydrophobicContact CB-CE1 4.49Å; A136-F141 HydrophobicContact CB-CE2 3.88Å; A136-F141 HydrophobicContact CB-CZ 3.72Å
137S91.4Very high92.9Very high66 Ų6646 Ų4646%0.46224%0.242SC..PPolyproline II helixtrans-74.9152.9176.861.60000111L131 G139 E140L131-S137 VanDerWaalsContact CD2-O 3.3Å; L131-S137 WeakPolarHBondContact CD2-O 3.46Å; S137-G139 PolarHBondContact O-N 3.21Å; S137-E140 PolarHBondContact N-OE2 3.45Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 3.08Å; S137-E140 VanDerWaalsContact O-N 3.09Å
138P91.3Very high92.8Very high80 Ų8046.1 Ų46.152%0.51924%0.243SC..THydrogen-bonded Turntrans-57.1136174.6-20.431000111.3E140 T262P138-E140 VanDerWaalsContact C-N 3.28Å; P138-E140 PolarHBondContact O-N 2.83Å; P138-T262 WeakPolarHBondContact CB-O 3.41Å
139G91.3Very high92.7Very high13 Ų1343.7 Ų43.713%0.13423%0.232CC..THydrogen-bonded Turntrans78.2-2.7-175.200000116.2S137 F141 A142 T262S137-G139 PolarHBondContact O-N 3.21Å; G139-F141 PolarHBondContact O-N 2.76Å; G139-A142 WeakPolarHBondContact O-CB 3.22Å; G139-A142 PolarHBondContact O-N 3.16Å; G139-T262 PolarHBondContact N-OG1 2.86Å
140E92.4Very high92.6Very high82 Ų8239.4 Ų39.438%0.38322%0.218SC..THydrogen-bonded Turntrans-62.2-27.3-178.7-170.2166.3-175.800113.1K55 A136 S137 P138K55-E140 WeakPolarHBondContact CE-OE1 3.29Å; K55-E140 WeakPolarHBondContact CE-OE2 3.44Å; K55-E140 IonicContact NZ-OE1 3.16Å; K55-E140 PolarHBondContact NZ-OE1 3.44Å; K55-E140 IonicContact NZ-OE2 2.63Å; K55-E140 PolarHBondContact NZ-OE2 2.85Å; A136-E140 WeakPolarHBondContact CA-OE2 3.36Å; A136-E140 HydrophobicContact CB-CB 4.31Å; A136-E140 WeakPolarHBondContact CB-OE2 3.5Å; S137-E140 PolarHBondContact N-OE2 3.45Å; S137-E140 WeakPolarHBondContact O-CB 3.38Å; S137-E140 PolarHBondContact O-N 3.08Å; S137-E140 VanDerWaalsContact O-N 3.09Å; P138-E140 VanDerWaalsContact C-N 3.28Å; P138-E140 PolarHBondContact O-N 2.83Å
141F94.1Very high92.4Very high2 Ų243 Ų431%0.00923%0.234CC..THydrogen-bonded Turntrans-97.711.9177-54.8-47.7000114F51 Q54 K55 L127 L131 A136 G139 V143 C144F51-F141 HydrophobicContact CB-CD2 3.89Å; F51-F141 HydrophobicContact CB-CE2 4.19Å; F51-F141 HydrophobicContact CB-CG 4.09Å; F51-F141 HydrophobicContact CD1-CB 3.91Å; F51-F141 HydrophobicContact CD1-CG 4.4Å; F51-F141 WeakPolarHBondContact O-CD1 3.24Å; F51-F141 WeakPolarHBondContact O-CE1 3.45Å; F51-F141 WeakPolarHBondContact O-CZ 3.38Å; Q54-F141 HydrophobicContact CB-CD1 3.78Å; Q54-F141 HydrophobicContact CB-CE1 3.76Å; Q54-F141 HydrophobicContact CG-CD1 4.01Å; Q54-F141 HydrophobicContact CG-CE1 4.47Å; K55-F141 HydrophobicContact CG-CE1 4.36Å; K55-F141 HydrophobicContact CG-CZ 4.45Å; L127-F141 HydrophobicContact CD1-CB 3.86Å; L127-F141 HydrophobicContact CD1-CD2 3.86Å; L127-F141 HydrophobicContact CD1-CG 4.37Å; L131-F141 HydrophobicContact CD2-CD2 3.69Å; L131-F141 HydrophobicContact CD2-CE2 3.71Å; L131-F141 HydrophobicContact CG-CD2 4.06Å; L131-F141 HydrophobicContact CG-CE2 4.07Å; A136-F141 HydrophobicContact CB-CE1 4.49Å; A136-F141 HydrophobicContact CB-CE2 3.88Å; A136-F141 HydrophobicContact CB-CZ 3.72Å; G139-F141 PolarHBondContact O-N 2.76Å; F141-V143 PolarHBondContact O-N 2.88Å; F141-C144 WeakPolarHBondContact O-CB 3.29Å; F141-C144 PolarHBondContact O-N 3.08Å; F141-C144 PolarHBondContact O-SG 2.64Å
142A92.1Very high92.3Very high14 Ų1443 Ų4312%0.11623%0.233CC..G310 helixtrans-57-26.8-175.700000113.7G139 C144 F145G139-A142 WeakPolarHBondContact O-CB 3.22Å; G139-A142 PolarHBondContact O-N 3.16Å; A142-C144 PolarHBondContact O-N 3.49Å; A142-F145 PolarHBondContact O-N 3.24Å
143V91.7Very high92.4Very high30 Ų3038.9 Ų38.918%0.18221%0.212CC..G310 helixtrans-57.1-28.1174.868.20000113V42 L107 A109 F141 F145 T146V42-V143 HydrophobicContact CB-CG2 4.25Å; V42-V143 HydrophobicContact CG1-CG2 3.73Å; V42-V143 HydrophobicContact CG2-CG2 3.48Å; V42-V143 VanDerWaalsContact CG2-CG2 3.48Å; L107-V143 HydrophobicContact CB-CG2 4.05Å; L107-V143 HydrophobicContact CD1-CG2 3.86Å; A109-V143 HydrophobicContact CB-CG1 4.06Å; A109-V143 HydrophobicContact CB-CG2 4.17Å; F141-V143 PolarHBondContact O-N 2.88Å; V143-F145 PolarHBondContact O-N 3.42Å; V143-T146 PolarHBondContact O-N 3.04Å; V143-T146 PolarHBondContact O-OG1 3.49Å
144C93.1Very high92.1Very high1 Ų136.4 Ų36.41%0.00720%0.203CC..G310 helixtrans-69.3-15.1177.2-570000112.9F51 F110 A112 F141 A142F51-C144 HydrophobicContact CD1-CB 3.97Å; F51-C144 HydrophobicContact CE1-CB 3.65Å; F110-C144 WeakPolarHBondContact O-CB 3.37Å; A112-C144 HydrophobicContact CB-CB 4.26Å; F141-C144 WeakPolarHBondContact O-CB 3.29Å; F141-C144 PolarHBondContact O-N 3.08Å; F141-C144 PolarHBondContact O-SG 2.64Å; A142-C144 PolarHBondContact O-N 3.49Å
145F93.6Very high91.6Very high0 Ų040.6 Ų40.60%022%0.224CC..G310 helixtrans-107.814.2-179.2-59.1-71000113.5F51 A112 I123 Y124 L127 A142 V143 E147 L148 Q149 V259 D260F51-F145 HydrophobicContact CE1-CE1 4.46Å; F51-F145 AromaticContact CE1-CE2 3.89Å; F51-F145 HydrophobicContact CE1-CE2 3.89Å; F51-F145 AromaticContact CE1-CZ 3.72Å; F51-F145 HydrophobicContact CE1-CZ 3.72Å; F51-F145 HydrophobicContact CZ-CE1 4.23Å; F51-F145 HydrophobicContact CZ-CE2 4.21Å; F51-F145 AromaticContact CZ-CZ 3.58Å; F51-F145 HydrophobicContact CZ-CZ 3.58Å; A112-F145 HydrophobicContact CB-CD1 4.2Å; A112-F145 HydrophobicContact CB-CE1 3.86Å; A112-F145 HydrophobicContact CB-CZ 4.45Å; I123-F145 HydrophobicContact CG2-CE1 3.83Å; I123-F145 HydrophobicContact CG2-CZ 4.11Å; Y124-F145 HydrophobicContact CE1-CE1 4.3Å; Y124-F145 HydrophobicContact CE1-CZ 4.21Å; L127-F145 HydrophobicContact CD1-CE2 4.19Å; L127-F145 HydrophobicContact CD2-CE2 3.85Å; L127-F145 HydrophobicContact CD2-CZ 4.07Å; A142-F145 PolarHBondContact O-N 3.24Å; V143-F145 PolarHBondContact O-N 3.42Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.27Å; F145-L148 HydrophobicContact CD1-CD1 4.13Å; F145-L148 WeakPolarHBondContact O-CB 3.14Å; F145-L148 PolarHBondContact O-N 3.36Å; F145-Q149 PolarHBondContact O-N 3.34Å; F145-Q149 VanDerWaalsContact O-N 3.07Å; F145-V259 HydrophobicContact CB-CB 4.11Å; F145-V259 HydrophobicContact CB-CG2 3.49Å; F145-V259 VanDerWaalsContact CB-CG2 3.49Å; F145-V259 HydrophobicContact CG-CG2 4.27Å; F145-D260 HydrophobicContact CD2-CB 4.22Å; F145-D260 HydrophobicContact CE2-CB 4.46Å
146T92.9Very high91.6Very high6 Ų635.9 Ų35.94%0.03720%0.195CC..Hα-helixtrans-55.1-37.1-175.8-67.50000113.7A22 V42 V143 L148 Q149 Q150A22-T146 HydrophobicContact CB-CG2 3.84Å; V42-T146 HydrophobicContact CG2-CG2 4.01Å; V143-T146 PolarHBondContact O-N 3.04Å; V143-T146 PolarHBondContact O-OG1 3.49Å; T146-L148 PolarHBondContact O-N 2.88Å; T146-Q149 PolarHBondContact O-N 3.09Å; T146-Q150 PolarHBondContact O-N 3.4Å
147E91.5Very high91.6Very high52 Ų5236.2 Ų36.224%0.24320%0.196CC..Hα-helixtrans-62.9-40.5175.5-65.5-174.3163.800112.6A22 F44 L113 F145 Q149 Q150 K151A22-E147 HydrophobicContact CB-CG 3.52Å; F44-E147 HydrophobicContact CE2-CG 3.99Å; F44-E147 WeakPolarHBondContact CE2-OE1 3.15Å; F44-E147 HydrophobicContact CZ-CG 4.24Å; L113-E147 HydrophobicContact CD1-CB 4.02Å; F145-E147 VanDerWaalsContact C-N 3.26Å; F145-E147 PolarHBondContact O-N 3.27Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; E147-Q150 PolarHBondContact O-N 3Å; E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 WeakPolarHBondContact O-CG 3.48Å; E147-K151 PolarHBondContact O-N 3.47Å
148L91.6Very high91.7Very high5 Ų535.3 Ų35.33%0.02620%0.197CC..Hα-helixtrans-66.8-37.9175.4-68.5-177.4000111.2L113 P119 F145 T146 Q150 K151 F152 V259L113-L148 HydrophobicContact CD1-CD1 4.39Å; L113-L148 HydrophobicContact CD1-CD2 3.9Å; L113-L148 HydrophobicContact CD1-CG 3.64Å; L113-L148 HydrophobicContact CD2-CD1 3.77Å; L113-L148 HydrophobicContact CD2-CD2 4.17Å; L113-L148 HydrophobicContact CD2-CG 3.92Å; L113-L148 HydrophobicContact CG-CG 4.38Å; P119-L148 HydrophobicContact CB-CD1 4.33Å; P119-L148 HydrophobicContact CG-CD1 3.84Å; F145-L148 HydrophobicContact CD1-CD1 4.13Å; F145-L148 WeakPolarHBondContact O-CB 3.14Å; F145-L148 PolarHBondContact O-N 3.36Å; T146-L148 PolarHBondContact O-N 2.88Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.16Å; L148-K151 HydrophobicContact CD2-CD 4.49Å; L148-K151 PolarHBondContact O-N 3.11Å; L148-F152 WeakPolarHBondContact O-CB 3.2Å; L148-F152 PolarHBondContact O-N 3.06Å; L148-V259 HydrophobicContact CB-CB 3.83Å; L148-V259 HydrophobicContact CB-CG1 3.42Å; L148-V259 VanDerWaalsContact CB-CG1 3.42Å; L148-V259 HydrophobicContact CD1-CB 4.2Å; L148-V259 HydrophobicContact CD1-CG1 4.49Å
149Q92.4Very high91.9Very high19 Ų1934.4 Ų34.49%0.08919%0.185CC..Hα-helixtrans-62.4-43.5176.8-65177.8-26.900110F145 T146 E147 F152 F153 D257 V259F145-Q149 PolarHBondContact O-N 3.34Å; F145-Q149 VanDerWaalsContact O-N 3.07Å; T146-Q149 PolarHBondContact O-N 3.09Å; E147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-F152 PolarHBondContact O-N 2.82Å; Q149-F153 WeakPolarHBondContact O-CD2 3.36Å; Q149-F153 PolarHBondContact O-N 2.7Å; Q149-D257 PolarHBondContact NE2-OD2 3.34Å; Q149-V259 HydrophobicContact CG-CB 4.43Å; Q149-V259 HydrophobicContact CG-CG1 4.11Å; Q149-V259 HydrophobicContact CG-CG2 3.43Å; Q149-V259 VanDerWaalsContact CG-CG2 3.43Å
150Q91.6Very high92.2Very high51 Ų5133.8 Ų33.824%0.23818%0.179CC..Hα-helixtrans-60.4-51.9174.1177.5177.9-6.200111.3I23 T146 E147 L148 F152 F153 D154I23-Q150 PolarHBondContact O-OE1 2.87Å; T146-Q150 PolarHBondContact O-N 3.4Å; E147-Q150 PolarHBondContact O-N 3Å; L148-Q150 VanDerWaalsContact C-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.16Å; Q150-F152 PolarHBondContact O-N 3.44Å; Q150-F153 PolarHBondContact O-N 2.97Å; Q150-D154 WeakPolarHBondContact CG-OD2 3.36Å; Q150-D154 PolarHBondContact O-N 3.44Å
151K91.1Very high92.3Very high74 Ų7431.2 Ų31.232%0.32217%0.166SC..Hα-helixtrans-56.5-35.4178.7-76.2176.3172.5-178.70112.6D117 E147 L148 F153 D154 N155D117-K151 IonicContact OD1-NZ 3.25Å; D117-K151 PolarHBondContact OD1-NZ 3.35Å; E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 WeakPolarHBondContact O-CG 3.48Å; E147-K151 PolarHBondContact O-N 3.47Å; L148-K151 HydrophobicContact CD2-CD 4.49Å; L148-K151 PolarHBondContact O-N 3.11Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.15Å; K151-D154 PolarHBondContact O-N 3.34Å; K151-N155 PolarHBondContact O-ND2 2.89Å
152F92.3Very high92.4Very high12 Ų1235 Ų355%0.05319%0.187CC..Hα-helixtrans-61.4-38.7176.8-179.2-97.1000112.5L148 Q149 Q150 L191 V194 W229 P258L148-F152 WeakPolarHBondContact O-CB 3.2Å; L148-F152 PolarHBondContact O-N 3.06Å; Q149-F152 PolarHBondContact O-N 2.82Å; Q150-F152 PolarHBondContact O-N 3.44Å; F152-L191 HydrophobicContact CD1-CD2 4.35Å; F152-L191 HydrophobicContact CE1-CD2 3.75Å; F152-V194 HydrophobicContact CE1-CG1 3.92Å; F152-V194 HydrophobicContact CZ-CG1 3.94Å; F152-W229 AromaticContact CE2-CD1 3.85Å; F152-W229 HydrophobicContact CE2-CD2 4.4Å; F152-W229 HydrophobicContact CE2-CG 4.1Å; F152-W229 AromaticContact CZ-CD1 3.97Å; F152-W229 HydrophobicContact CZ-CD2 4.1Å; F152-W229 AromaticContact CZ-CE2 3.73Å; F152-W229 HydrophobicContact CZ-CG 4.25Å; F152-W229 HydrophobicContact CZ-CZ2 4.2Å; F152-W229 AromaticContact CZ-NE1 3.64Å; F152-P258 HydrophobicContact CD1-CB 4.48Å; F152-P258 HydrophobicContact CD1-CG 3.79Å; F152-P258 HydrophobicContact CD2-CB 3.68Å; F152-P258 HydrophobicContact CD2-CG 3.88Å; F152-P258 HydrophobicContact CE1-CB 4.39Å; F152-P258 HydrophobicContact CE1-CG 3.82Å; F152-P258 HydrophobicContact CE2-CB 3.57Å; F152-P258 HydrophobicContact CE2-CG 3.9Å; F152-P258 HydrophobicContact CG-CB 4.16Å; F152-P258 HydrophobicContact CG-CG 3.83Å; F152-P258 HydrophobicContact CZ-CB 3.95Å; F152-P258 HydrophobicContact CZ-CG 3.87Å
153F93.3Very high92.6Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-88-20.9178.8-77.8-99.4000114.2R29 T31 Q149 Q150 K151 N155 R156 K161 I164 Y187 E190 L191 V194R29-F153 HydrophobicContact CB-CB 4.07Å; R29-F153 HydrophobicContact CB-CD1 4.02Å; R29-F153 HydrophobicContact CB-CD2 4.06Å; R29-F153 HydrophobicContact CB-CG 3.77Å; R29-F153 VanDerWaalsContact CD-CE2 3.41Å; R29-F153 HydrophobicContact CG-CB 4.38Å; R29-F153 HydrophobicContact CG-CD2 3.69Å; R29-F153 HydrophobicContact CG-CE2 4.09Å; R29-F153 HydrophobicContact CG-CG 3.94Å; T31-F153 HydrophobicContact CG2-CD1 4.31Å; Q149-F153 WeakPolarHBondContact O-CD2 3.36Å; Q149-F153 PolarHBondContact O-N 2.7Å; Q150-F153 PolarHBondContact O-N 2.97Å; K151-F153 VanDerWaalsContact C-N 3.33Å; K151-F153 PolarHBondContact O-N 3.15Å; F153-N155 VanDerWaalsContact C-N 3.31Å; F153-N155 PolarHBondContact O-N 3.33Å; F153-R156 WeakPolarHBondContact O-CB 3.38Å; F153-R156 PolarHBondContact O-N 3.21Å; F153-K161 WeakPolarHBondContact O-CE 3.49Å; F153-K161 PolarHBondContact O-NZ 2.67Å; F153-I164 HydrophobicContact CD1-CD1 4.47Å; F153-I164 HydrophobicContact CE1-CD1 4.1Å; F153-Y187 AromaticContact CE2-CE2 3.85Å; F153-Y187 HydrophobicContact CE2-CE2 3.85Å; F153-Y187 HydrophobicContact CZ-CE2 4.15Å; F153-E190 HydrophobicContact CE1-CB 4.02Å; F153-E190 HydrophobicContact CZ-CB 3.96Å; F153-L191 HydrophobicContact CE2-CD2 4.05Å; F153-L191 HydrophobicContact CZ-CD2 3.96Å; F153-V194 HydrophobicContact CD1-CG2 4.47Å; F153-V194 HydrophobicContact CE1-CG2 3.86Å; F153-V194 HydrophobicContact CZ-CG2 4.28Å
154D89.9Confident92.8Very high52 Ų5233 Ų3328%0.27817%0.173SC..Hα-helixtrans-65.5-35.6-179.1-84.3-25.8000112.5K30 Q150 K151 R156K30-D154 WeakPolarHBondContact CE-OD1 3.25Å; K30-D154 IonicContact NZ-OD1 3.26Å; K30-D154 PolarHBondContact NZ-OD1 3.04Å; Q150-D154 WeakPolarHBondContact CG-OD2 3.36Å; Q150-D154 PolarHBondContact O-N 3.44Å; K151-D154 PolarHBondContact O-N 3.34Å; D154-R156 PolarHBondContact O-N 3.39Å; D154-R156 VanDerWaalsContact O-N 3.09Å
155N81.8Confident92.9Very high128 Ų12835.1 Ų35.168%0.68418%0.184SC*.THydrogen-bonded Turntrans-82.827.8179.5-64.9-41.8000113.7K151 F153K151-N155 PolarHBondContact O-ND2 2.89Å; F153-N155 VanDerWaalsContact C-N 3.31Å; F153-N155 PolarHBondContact O-N 3.33Å
156R90.6Very high92.9Very high53 Ų5339.1 Ų39.120%0.221%0.205CC..SBendtrans-124.8141.3-175.6-64.1-64.4176.4-90.8-2.8111.8F153 D154 L160 W197 E198F153-R156 WeakPolarHBondContact O-CB 3.38Å; F153-R156 PolarHBondContact O-N 3.21Å; D154-R156 PolarHBondContact O-N 3.39Å; D154-R156 VanDerWaalsContact O-N 3.09Å; R156-L160 HydrophobicContact CB-CD2 4.11Å; R156-L160 HydrophobicContact CG-CD2 4.33Å; R156-W197 VanDerWaalsContact CD-CZ3 3.47Å; R156-E198 IonicContact CZ-OE1 2.76Å; R156-E198 VanDerWaalsContact CZ-OE1 3.26Å; R156-E198 IonicContact NE-OE1 2.79Å; R156-E198 PolarHBondContact NE-OE1 3.44Å; R156-E198 IonicContact NH2-OE1 2.66Å; R156-E198 PolarHBondContact NH2-OE1 3.03Å
157P93.9Very high93Very high20 Ų2038.9 Ų38.913%0.1320%0.203CC..  trans-66.7150.3-171.226.4-33.8000112K159 L160 K161 W197 D204P157-K159 VanDerWaalsContact C-N 3.25Å; P157-K159 PolarHBondContact O-N 3.49Å; P157-L160 HydrophobicContact CG-CB 3.93Å; P157-L160 WeakPolarHBondContact O-CB 3.39Å; P157-L160 PolarHBondContact O-N 3.19Å; P157-K161 PolarHBondContact O-N 3.19Å; P157-W197 HydrophobicContact CG-CH2 4.24Å; P157-W197 HydrophobicContact CG-CZ2 3.6Å; P157-D204 HydrophobicContact CB-CB 4.29Å
158G94.5Very high93.1Very high48 Ų4836.7 Ų36.750%0.49519%0.193SC..Hα-helixtrans-55.3-40.1179.200000113L160 K161 D162G158-L160 VanDerWaalsContact C-N 3.26Å; G158-L160 PolarHBondContact O-N 3.32Å; G158-K161 WeakPolarHBondContact O-CA 3.44Å; G158-K161 VanDerWaalsContact O-CB 3.3Å; G158-K161 WeakPolarHBondContact O-CB 3.34Å; G158-K161 PolarHBondContact O-N 2.72Å; G158-D162 PolarHBondContact O-N 3.01Å
159K95.4Very high93.1Very high60 Ų6040.2 Ų40.226%0.26121%0.209SC..Hα-helixtrans-62.7-29.9178.5-156.1173.2-164.2179.50113.6P157 D162 L163 N205 F206 I208P157-K159 VanDerWaalsContact C-N 3.25Å; P157-K159 PolarHBondContact O-N 3.49Å; K159-D162 PolarHBondContact O-N 3.01Å; K159-L163 PolarHBondContact O-N 3.23Å; K159-L163 VanDerWaalsContact O-N 3.09Å; K159-N205 PolarHBondContact NZ-OD1 3.1Å; K159-F206 HydrophobicContact CB-CE1 4.09Å; K159-F206 HydrophobicContact CB-CZ 4.19Å; K159-F206 WeakPolarHBondContact CE-O 3.44Å; K159-F206 HydrophobicContact CG-CE1 4.29Å; K159-F206 HydrophobicContact CG-CE2 4.39Å; K159-F206 HydrophobicContact CG-CZ 4.09Å; K159-F206 PolarHBondContact NZ-O 3.42Å; K159-I208 HydrophobicContact CG-CD1 4.16Å; K159-I208 HydrophobicContact CG-CG1 4.25Å
160L96.5Very high93Very high1 Ų140 Ų401%0.00521%0.208CC..Hα-helixtrans-69.4-36.8171.6178.959.2000111.6R156 P157 G158 D162 L163 I164 T193 V194 W197 F206R156-L160 HydrophobicContact CB-CD2 4.11Å; R156-L160 HydrophobicContact CG-CD2 4.33Å; P157-L160 HydrophobicContact CG-CB 3.93Å; P157-L160 WeakPolarHBondContact O-CB 3.39Å; P157-L160 PolarHBondContact O-N 3.19Å; G158-L160 VanDerWaalsContact C-N 3.26Å; G158-L160 PolarHBondContact O-N 3.32Å; L160-D162 VanDerWaalsContact C-N 3.3Å; L160-D162 PolarHBondContact O-N 3.34Å; L160-L163 HydrophobicContact CD1-CD2 4.22Å; L160-L163 PolarHBondContact O-N 3.2Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.06Å; L160-I164 PolarHBondContact O-N 3.21Å; L160-T193 HydrophobicContact CD1-CG2 4.03Å; L160-V194 HydrophobicContact CD2-CG2 4.23Å; L160-W197 HydrophobicContact CD1-CB 3.51Å; L160-W197 HydrophobicContact CD1-CD2 4.45Å; L160-W197 HydrophobicContact CD1-CG 3.78Å; L160-W197 HydrophobicContact CD2-CB 4.1Å; L160-W197 HydrophobicContact CD2-CD2 3.65Å; L160-W197 HydrophobicContact CD2-CE3 3.59Å; L160-W197 HydrophobicContact CD2-CG 3.88Å; L160-W197 HydrophobicContact CD2-CZ3 4.27Å; L160-W197 HydrophobicContact CG-CB 4.43Å; L160-W197 HydrophobicContact CG-CG 4.31Å; L160-F206 HydrophobicContact CB-CE1 4.48Å; L160-F206 HydrophobicContact CB-CZ 4.38Å
161K94.9Very high93Very high28 Ų2838 Ų3812%0.12220%0.198CC..Hα-helixtrans-64.2-38.9174.5-61.9175.3176.6172.10110.4K30 T31 F153 P157 G158 I164 L165K30-K161 HydrophobicContact CB-CD 4.07Å; T31-K161 HydrophobicContact CG2-CG 4.5Å; F153-K161 WeakPolarHBondContact O-CE 3.49Å; F153-K161 PolarHBondContact O-NZ 2.67Å; P157-K161 PolarHBondContact O-N 3.19Å; G158-K161 WeakPolarHBondContact O-CA 3.44Å; G158-K161 VanDerWaalsContact O-CB 3.3Å; G158-K161 WeakPolarHBondContact O-CB 3.34Å; G158-K161 PolarHBondContact O-N 2.72Å; K161-I164 WeakPolarHBondContact O-CB 3.31Å; K161-I164 PolarHBondContact O-N 2.9Å; K161-L165 VanDerWaalsContact O-CG 3.28Å; K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 3.18Å
162D95.6Very high92.8Very high81 Ų8136.6 Ų36.643%0.43319%0.193SC..Hα-helixtrans-61.8-43.7173.1-60.5-31.9000112.2G158 K159 L160 I164 L165 L166 I208G158-D162 PolarHBondContact O-N 3.01Å; K159-D162 PolarHBondContact O-N 3.01Å; L160-D162 VanDerWaalsContact C-N 3.3Å; L160-D162 PolarHBondContact O-N 3.34Å; D162-I164 PolarHBondContact O-N 2.96Å; D162-L165 WeakPolarHBondContact O-CB 3.09Å; D162-L165 PolarHBondContact O-N 3.26Å; D162-L166 WeakPolarHBondContact O-CG 3.37Å; D162-L166 PolarHBondContact O-N 3.18Å; D162-I208 HydrophobicContact CB-CD1 4.48Å
163L96.8Very high92.6Very high0 Ų039.6 Ų39.60%021%0.207CC..Hα-helixtrans-60.1-45174.217761.6000111.6K159 L160 L165 L166 I167 T193 F206 I208 V212 W297K159-L163 PolarHBondContact O-N 3.23Å; K159-L163 VanDerWaalsContact O-N 3.09Å; L160-L163 HydrophobicContact CD1-CD2 4.22Å; L160-L163 PolarHBondContact O-N 3.2Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.06Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-I167 HydrophobicContact CD1-CG1 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 3.38Å; L163-T193 HydrophobicContact CB-CG2 4.38Å; L163-T193 HydrophobicContact CD2-CG2 3.73Å; L163-T193 HydrophobicContact CG-CG2 3.66Å; L163-F206 HydrophobicContact CB-CE2 4.38Å; L163-F206 HydrophobicContact CB-CZ 4.45Å; L163-F206 HydrophobicContact CD2-CE2 4.06Å; L163-F206 HydrophobicContact CD2-CZ 4.38Å; L163-I208 HydrophobicContact CD1-CG2 4.21Å; L163-V212 HydrophobicContact CD1-CB 4.4Å; L163-V212 HydrophobicContact CD1-CG2 3.5Å; L163-W297 HydrophobicContact CD2-CH2 3.84Å; L163-W297 HydrophobicContact CD2-CZ3 4.12Å
164I96Very high92.3Very high2 Ų239.7 Ų39.71%0.0121%0.208CC..Hα-helixtrans-56.9-45.8175-73.8165.7000110.9T31 F153 L160 K161 D162 L166 I167 K168 E190 T193 V194T31-I164 HydrophobicContact CG2-CB 4.24Å; T31-I164 HydrophobicContact CG2-CD1 3.97Å; T31-I164 HydrophobicContact CG2-CG2 3.61Å; F153-I164 HydrophobicContact CD1-CD1 4.47Å; F153-I164 HydrophobicContact CE1-CD1 4.1Å; L160-I164 HydrophobicContact CG-CD1 4.21Å; L160-I164 WeakPolarHBondContact O-CG1 3.06Å; L160-I164 PolarHBondContact O-N 3.21Å; K161-I164 WeakPolarHBondContact O-CB 3.31Å; K161-I164 PolarHBondContact O-N 2.9Å; D162-I164 PolarHBondContact O-N 2.96Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.24Å; I164-I167 PolarHBondContact O-N 2.9Å; I164-K168 HydrophobicContact CG2-CD 3.8Å; I164-K168 HydrophobicContact CG2-CG 4.32Å; I164-K168 WeakPolarHBondContact O-CB 3.25Å; I164-K168 VanDerWaalsContact O-CG 3.3Å; I164-K168 WeakPolarHBondContact O-CG 3.03Å; I164-K168 PolarHBondContact O-N 3.18Å; I164-E190 HydrophobicContact CG2-CB 4.34Å; I164-E190 HydrophobicContact CG2-CG 3.63Å; I164-T193 HydrophobicContact CG1-CG2 3.61Å; I164-V194 HydrophobicContact CD1-CG2 4.06Å
165L94.4Very high92Very high45 Ų4540 Ų4024%0.23621%0.207CC..Hα-helixtrans-60.1-42.4178-68.3174.2000111.3T31 V32 L33 K161 D162 L163 K168 H169T31-L165 VanDerWaalsContact C-CD2 3.46Å; T31-L165 WeakPolarHBondContact O-CD2 3.35Å; V32-L165 WeakPolarHBondContact O-CD2 3.44Å; L33-L165 HydrophobicContact CD2-CB 4.18Å; L33-L165 HydrophobicContact CD2-CD2 3.97Å; L33-L165 WeakPolarHBondContact CD2-O 3.29Å; L33-L165 HydrophobicContact CG-CD2 4.1Å; K161-L165 VanDerWaalsContact O-CG 3.28Å; K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 3.18Å; D162-L165 WeakPolarHBondContact O-CB 3.09Å; D162-L165 PolarHBondContact O-N 3.26Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 3.06Å; L165-K168 PolarHBondContact O-N 3.35Å; L165-H169 WeakPolarHBondContact O-CB 3.45Å; L165-H169 PolarHBondContact O-N 3.49Å
166L94.9Very high92.2Very high84 Ų8441.7 Ų41.744%0.4421%0.209SC..Hα-helixtrans-63.1-44.8177-70.5170.2000112.4D162 L163 I164 K168 H169 W170 I208D162-L166 WeakPolarHBondContact O-CG 3.37Å; D162-L166 PolarHBondContact O-N 3.18Å; L163-L166 PolarHBondContact O-N 2.88Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.24Å; L166-K168 PolarHBondContact O-N 3.48Å; L166-H169 PolarHBondContact O-N 3.4Å; L166-W170 WeakPolarHBondContact O-CB 3.14Å; L166-W170 PolarHBondContact O-N 3.36Å; L166-I208 HydrophobicContact CD1-CG2 3.31Å
167I94.9Very high91.8Very high1 Ų145.2 Ų45.21%0.00523%0.225CC..Hα-helixtrans-63-42.7176.8-65.1-57.3000111.2L163 I164 H169 W170 H171 L189 V212 V215L163-I167 HydrophobicContact CD1-CG1 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.49Å; L163-I167 PolarHBondContact O-N 3.38Å; I164-I167 PolarHBondContact O-N 2.9Å; I167-H169 VanDerWaalsContact C-N 3.33Å; I167-H169 PolarHBondContact O-N 2.75Å; I167-W170 PolarHBondContact O-N 3.33Å; I167-H171 WeakPolarHBondContact O-CB 3.36Å; I167-H171 PolarHBondContact O-N 3Å; I167-L189 HydrophobicContact CG2-CB 4.17Å; I167-L189 HydrophobicContact CG2-CD1 4.49Å; I167-V212 HydrophobicContact CD1-CB 4.46Å; I167-V212 HydrophobicContact CD1-CG1 4.18Å; I167-V212 HydrophobicContact CD1-CG2 4.26Å; I167-V215 HydrophobicContact CD1-CB 3.85Å; I167-V215 HydrophobicContact CD1-CG1 3.77Å; I167-V215 HydrophobicContact CD1-CG2 4.37Å; I167-V215 HydrophobicContact CG1-CB 4.28Å; I167-V215 HydrophobicContact CG1-CG1 4.01Å; I167-V215 HydrophobicContact CG1-CG2 4.35Å; I167-V215 HydrophobicContact CG2-CG1 4.07Å
168K92.3Very high90.8Very high6 Ų647.3 Ų47.33%0.02624%0.235CC..Hα-helixtrans-64.6-39.2175.7-69.7173.966.9167.20111.7S26 T31 L33 I164 L165 L166 H171 Q172 E190S26-K168 VanDerWaalsContact CB-NZ 3.32Å; S26-K168 PolarHBondContact OG-NZ 2.83Å; T31-K168 PolarHBondContact O-NZ 3.33Å; L33-K168 HydrophobicContact CD1-CB 3.48Å; L33-K168 VanDerWaalsContact CD1-CB 3.48Å; L33-K168 HydrophobicContact CG-CB 4.09Å; I164-K168 HydrophobicContact CG2-CD 3.8Å; I164-K168 HydrophobicContact CG2-CG 4.32Å; I164-K168 WeakPolarHBondContact O-CB 3.25Å; I164-K168 VanDerWaalsContact O-CG 3.3Å; I164-K168 WeakPolarHBondContact O-CG 3.03Å; I164-K168 PolarHBondContact O-N 3.18Å; L165-K168 PolarHBondContact O-N 3.35Å; L166-K168 PolarHBondContact O-N 3.48Å; K168-H171 WeakPolarHBondContact O-CB 3.34Å; K168-H171 PolarHBondContact O-N 3.31Å; K168-Q172 WeakPolarHBondContact O-CG 3.48Å; K168-Q172 PolarHBondContact O-N 3.41Å; K168-E190 HydrophobicContact CD-CG 3.94Å; K168-E190 WeakPolarHBondContact CD-OE1 3.48Å; K168-E190 WeakPolarHBondContact CE-OE1 3.47Å; K168-E190 HydrophobicContact CG-CG 4.5Å; K168-E190 IonicContact NZ-OE1 3.99Å; K168-E190 PolarHBondContact NZ-OE1 3.31Å
169H91.6Very high89.5Confident80 Ų8054.3 Ų54.337%0.3725%0.252SS..Hα-helixtrans-66.3-45178.3-174.967.2000111.2L33 L165 L166 I167 H171 Q172 Q173L33-H169 HydrophobicContact CD2-CB 4.1Å; L165-H169 WeakPolarHBondContact O-CB 3.45Å; L165-H169 PolarHBondContact O-N 3.49Å; L166-H169 PolarHBondContact O-N 3.4Å; I167-H169 VanDerWaalsContact C-N 3.33Å; I167-H169 PolarHBondContact O-N 2.75Å; H169-H171 VanDerWaalsContact C-N 3.31Å; H169-H171 PolarHBondContact O-N 3.2Å; H169-Q172 WeakPolarHBondContact O-CB 3.19Å; H169-Q172 PolarHBondContact O-N 3.3Å; H169-Q173 PolarHBondContact CD2-NE2 3.32Å; H169-Q173 PolarHBondContact NE2-NE2 2.97Å; H169-Q173 WeakPolarHBondContact O-CG 3.5Å; H169-Q173 PolarHBondContact O-N 3.47Å
170W91.2Very high88.2Confident14 Ų1459 Ų595%0.05328%0.28CS..Hα-helixtrans-54.6-48.2171.4168.479.2000111L166 I167 Q172 Q173 C174 L216 I219 L275 E278 A279 W282L166-W170 WeakPolarHBondContact O-CB 3.14Å; L166-W170 PolarHBondContact O-N 3.36Å; I167-W170 PolarHBondContact O-N 3.33Å; W170-Q172 VanDerWaalsContact C-N 3.35Å; W170-Q172 PolarHBondContact O-N 2.92Å; W170-Q173 WeakPolarHBondContact O-CB 3.37Å; W170-Q173 PolarHBondContact O-N 2.97Å; W170-Q173 VanDerWaalsContact O-N 3.12Å; W170-C174 WeakPolarHBondContact O-CB 3.36Å; W170-C174 PolarHBondContact O-N 2.83Å; W170-C174 PolarHBondContact O-SG 3.19Å; W170-L216 HydrophobicContact CD2-CD2 4.02Å; W170-L216 HydrophobicContact CE3-CD2 4.12Å; W170-L216 HydrophobicContact CH2-CD2 3.64Å; W170-L216 HydrophobicContact CZ2-CD2 3.5Å; W170-L216 HydrophobicContact CZ3-CD2 3.95Å; W170-I219 HydrophobicContact CH2-CD1 3.83Å; W170-I219 HydrophobicContact CZ3-CD1 3.6Å; W170-L275 HydrophobicContact CH2-CD2 3.96Å; W170-L275 HydrophobicContact CZ3-CD2 4.17Å; W170-E278 HydrophobicContact CZ2-CB 4.02Å; W170-A279 HydrophobicContact CH2-CB 4.31Å; W170-A279 HydrophobicContact CZ2-CB 4.25Å; W170-W282 AromaticContact CD1-CD2 3.62Å; W170-W282 AromaticContact CD1-CE2 3.44Å; W170-W282 VanDerWaalsContact CD1-CE2 3.44Å; W170-W282 AromaticContact CD1-CZ2 3.73Å; W170-W282 AromaticContact CD1-NE1 3.73Å; W170-W282 AromaticContact NE1-CD1 3.33Å; W170-W282 VanDerWaalsContact NE1-CD1 3.33Å; W170-W282 AromaticContact NE1-CD2 3.52Å; W170-W282 AromaticContact NE1-CE2 3.49Å; W170-W282 AromaticContact NE1-CG 3.44Å; W170-W282 AromaticContact NE1-NE1 3.32Å
171H90.2Very high86.9Confident8 Ų861.6 Ų61.64%0.03729%0.293CS..Hα-helixtrans-58.6-42.1176.2179.6-115.2000113I167 K168 H169 C174 Q175 L184 L189I167-H171 WeakPolarHBondContact O-CB 3.36Å; I167-H171 PolarHBondContact O-N 3Å; K168-H171 WeakPolarHBondContact O-CB 3.34Å; K168-H171 PolarHBondContact O-N 3.31Å; H169-H171 VanDerWaalsContact C-N 3.31Å; H169-H171 PolarHBondContact O-N 3.2Å; H171-C174 WeakPolarHBondContact O-CB 3.36Å; H171-C174 PolarHBondContact O-N 3.09Å; H171-Q175 VanDerWaalsContact CE1-CD 3.41Å; H171-Q175 PolarHBondContact CE1-NE2 3.41Å; H171-Q175 PolarHBondContact NE2-NE2 3.3Å; H171-Q175 WeakPolarHBondContact O-CG 3.41Å; H171-Q175 PolarHBondContact O-N 3.27Å; H171-L184 PolarHBondContact CE1-O 2.65Å; H171-L189 HydrophobicContact CB-CD1 3.51Å
172Q88.1Confident85.7Confident46 Ų4664 Ų6422%0.21531%0.312CS..Hα-helixtrans-63.5-40.2174.6-75.4-178-19.200112.8L33 N36 K168 H169 W170 C174 Q175 K176L33-Q172 VanDerWaalsContact CD1-CD 3.5Å; L33-Q172 HydrophobicContact CD1-CG 4.27Å; N36-Q172 PolarHBondContact ND2-NE2 3.18Å; K168-Q172 WeakPolarHBondContact O-CG 3.48Å; K168-Q172 PolarHBondContact O-N 3.41Å; H169-Q172 WeakPolarHBondContact O-CB 3.19Å; H169-Q172 PolarHBondContact O-N 3.3Å; W170-Q172 VanDerWaalsContact C-N 3.35Å; W170-Q172 PolarHBondContact O-N 2.92Å; Q172-C174 VanDerWaalsContact C-N 3.3Å; Q172-Q175 PolarHBondContact O-N 3.08Å; Q172-K176 WeakPolarHBondContact O-CG 3.47Å; Q172-K176 PolarHBondContact O-N 3.09Å; Q172-K176 VanDerWaalsContact O-N 3.15Å
173Q88.1Confident84.5Confident75 Ų7563.8 Ų63.835%0.3532%0.317SS..Hα-helixtrans-63.4-42.1175.8-69.4-177.5-6.200111.1H169 W170 K176H169-Q173 PolarHBondContact CD2-NE2 3.32Å; H169-Q173 PolarHBondContact NE2-NE2 2.97Å; H169-Q173 WeakPolarHBondContact O-CG 3.5Å; H169-Q173 PolarHBondContact O-N 3.47Å; W170-Q173 WeakPolarHBondContact O-CB 3.37Å; W170-Q173 PolarHBondContact O-N 2.97Å; W170-Q173 VanDerWaalsContact O-N 3.12Å; Q173-K176 PolarHBondContact O-N 3.28Å
174C87.3Confident83.8Confident1 Ų164 Ų641%0.00732%0.318CS..Hα-helixtrans-54.7-54.8171.4-84.50000110.7W170 H171 Q172 K176 K177 W274W170-C174 WeakPolarHBondContact O-CB 3.36Å; W170-C174 PolarHBondContact O-N 2.83Å; W170-C174 PolarHBondContact O-SG 3.19Å; H171-C174 WeakPolarHBondContact O-CB 3.36Å; H171-C174 PolarHBondContact O-N 3.09Å; Q172-C174 VanDerWaalsContact C-N 3.3Å; C174-K176 VanDerWaalsContact C-N 3.27Å; C174-K176 PolarHBondContact O-N 3.41Å; C174-K177 VanDerWaalsContact O-CB 3.3Å; C174-K177 WeakPolarHBondContact O-CB 3.49Å; C174-K177 PolarHBondContact O-N 3.44Å; C174-W274 HydrophobicContact CB-CH2 3.32Å; C174-W274 HydrophobicContact CB-CZ2 4.49Å; C174-W274 HydrophobicContact CB-CZ3 3.64Å; C174-W274 WeakPolarHBondContact O-CH2 3.38Å
175Q83.8Confident83.1Confident58 Ų5866.6 Ų66.627%0.27134%0.336SS..Hα-helixtrans-59.4-32.7-178.6-73.4-179.4-3000114.1H171 Q172 K177 I178 S183H171-Q175 VanDerWaalsContact CE1-CD 3.41Å; H171-Q175 PolarHBondContact CE1-NE2 3.41Å; H171-Q175 PolarHBondContact NE2-NE2 3.3Å; H171-Q175 WeakPolarHBondContact O-CG 3.41Å; H171-Q175 PolarHBondContact O-N 3.27Å; Q172-Q175 PolarHBondContact O-N 3.08Å; Q175-K177 PolarHBondContact O-N 3.32Å; Q175-K177 VanDerWaalsContact O-N 3.07Å; Q175-I178 CarbonylContact O-C 3.42Å; Q175-I178 PolarHBondContact O-N 2.84Å; Q175-S183 VanDerWaalsContact NE2-CB 3.25Å; Q175-S183 PolarHBondContact NE2-OG 2.64Å
176K84.4Confident82.8Confident165 Ų16566.1 Ų66.172%0.71734%0.335SS*.THydrogen-bonded Turntrans-59.2-22.1175.7-71.8174.3-176.5-179.20113.4Q172 Q173 C174Q172-K176 WeakPolarHBondContact O-CG 3.47Å; Q172-K176 PolarHBondContact O-N 3.09Å; Q172-K176 VanDerWaalsContact O-N 3.15Å; Q173-K176 PolarHBondContact O-N 3.28Å; C174-K176 VanDerWaalsContact C-N 3.27Å; C174-K176 PolarHBondContact O-N 3.41Å
177K82.8Confident82.7Confident126 Ų12662.9 Ų62.955%0.54832%0.317SS..THydrogen-bonded Turntrans-77.3-19.2177.9-59.4180180178.30113.2C174 Q175 E278C174-K177 VanDerWaalsContact O-CB 3.3Å; C174-K177 WeakPolarHBondContact O-CB 3.49Å; C174-K177 PolarHBondContact O-N 3.44Å; Q175-K177 PolarHBondContact O-N 3.32Å; Q175-K177 VanDerWaalsContact O-N 3.07Å; K177-E278 IonicContact NZ-OE1 2.67Å; K177-E278 IonicContact NZ-OE2 2.7Å; K177-E278 PolarHBondContact NZ-OE2 3.09Å
178I72.6Confident82.7Confident65 Ų6562.8 Ų62.833%0.33332%0.317SS..  trans-138.9108.8-177.8-58.9-172.3000109.8Q175 L181 W274Q175-I178 CarbonylContact O-C 3.42Å; Q175-I178 PolarHBondContact O-N 2.84Å; I178-L181 HydrophobicContact CG2-CB 3.76Å; I178-W274 HydrophobicContact CD1-CD2 4.16Å; I178-W274 HydrophobicContact CD1-CG 4.15Å; I178-W274 HydrophobicContact CD1-CZ2 4.04Å; I178-W274 HydrophobicContact CG1-CZ2 4.29Å
179K66.9Low82.8Confident195 Ų19562.5 Ų62.585%0.84832%0.316SS*.SBendtrans-80.9-19.2-178.2-67.9-177.1179.3178.90114.1
180D69.4Low83Confident158 Ų15858.7 Ų58.785%0.84530%0.298SS*.SBendtrans-106.35.6-167-54-41.5000114.5
181L69.6Low83.2Confident56 Ų5658 Ų5829%0.29330%0.296SS..SBendtrans-101140.4179.9-156.869.2000111I178 S183 I270 W274I178-L181 HydrophobicContact CG2-CB 3.76Å; L181-S183 PolarHBondContact O-N 3.32Å; L181-I270 HydrophobicContact CD1-CG2 3.75Å; L181-I270 HydrophobicContact CD2-CG2 4.47Å; L181-W274 HydrophobicContact CD2-CB 4.25Å
182P69.1Low83.5Confident79 Ų7957.7 Ų57.751%0.51329%0.294SS..PPolyproline II helixtrans-50.6136.2171-26.333.5000111.3L184 C271P182-L184 PolarHBondContact O-N 3.19Å; P182-C271 PolarHBondContact O-SG 2.81Å
183S71.1Confident84Confident76 Ų7655.5 Ų55.553%0.53128%0.284SS..PPolyproline II helixtrans-75.2123.3176.1166.60000109.6Q175 L181 S185Q175-S183 VanDerWaalsContact NE2-CB 3.25Å; Q175-S183 PolarHBondContact NE2-OG 2.64Å; L181-S183 PolarHBondContact O-N 3.32Å; S183-S185 PolarHBondContact O-N 3.34Å
184L81.2Confident84.3Confident5 Ų551.9 Ų51.93%0.02627%0.267CS..PPolyproline II helixtrans-57.1136.1164.5-178.267.4000109.5H171 P182 A188 L189 S266 C271 W272 L275H171-L184 PolarHBondContact CE1-O 2.65Å; P182-L184 PolarHBondContact O-N 3.19Å; L184-A188 HydrophobicContact CD1-CB 4.21Å; L184-A188 HydrophobicContact CG-CB 4.36Å; L184-L189 HydrophobicContact CD2-CD1 4.32Å; L184-L189 HydrophobicContact CD2-CD2 3.88Å; L184-L189 HydrophobicContact CD2-CG 3.89Å; L184-S266 WeakPolarHBondContact CD1-O 3.38Å; L184-C271 HydrophobicContact CB-CB 4.31Å; L184-W272 HydrophobicContact CD1-CZ2 4.08Å; L184-W272 HydrophobicContact CD2-CH2 4.2Å; L184-W272 HydrophobicContact CD2-CZ2 3.75Å; L184-L275 HydrophobicContact CD2-CD1 3.47Å; L184-L275 VanDerWaalsContact CD2-CD1 3.47Å
185S82.3Confident84.7Confident55 Ų5552.2 Ų52.239%0.38527%0.268SS..PPolyproline II helixtrans-58.9128.1176.1177.40000110S183 Y187 A188S183-S185 PolarHBondContact O-N 3.34Å; S185-Y187 PolarHBondContact O-N 2.73Å; S185-Y187 VanDerWaalsContact O-N 3.1Å; S185-Y187 WeakPolarHBondContact OG-CB 3.35Å; S185-Y187 PolarHBondContact OG-N 2.74Å; S185-A188 WeakPolarHBondContact O-CB 3.41Å; S185-A188 PolarHBondContact O-N 3.48Å; S185-A188 VanDerWaalsContact O-N 3.07Å
186P87.5Confident85.2Confident35 Ų3549.4 Ų49.423%0.22726%0.255CS..Hα-helixtrans-54.8-30.2173.8-24.933.6000112.4A188 L189 E190P186-A188 VanDerWaalsContact C-N 3.29Å; P186-A188 PolarHBondContact O-N 3.48Å; P186-L189 PolarHBondContact O-N 2.84Å; P186-E190 VanDerWaalsContact O-CG 3.3Å; P186-E190 WeakPolarHBondContact O-CG 3.22Å; P186-E190 PolarHBondContact O-N 2.76Å
187Y92.5Very high85.7Confident16 Ų1642.2 Ų42.26%0.06322%0.223CC..Hα-helixtrans-60.6-35.9179-171.9-136.6000112.9F153 S185 L189 E190 L191 D257 V265F153-Y187 AromaticContact CE2-CE2 3.85Å; F153-Y187 HydrophobicContact CE2-CE2 3.85Å; F153-Y187 HydrophobicContact CZ-CE2 4.15Å; S185-Y187 PolarHBondContact O-N 2.73Å; S185-Y187 VanDerWaalsContact O-N 3.1Å; S185-Y187 WeakPolarHBondContact OG-CB 3.35Å; S185-Y187 PolarHBondContact OG-N 2.74Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; Y187-L189 PolarHBondContact O-N 3.09Å; Y187-E190 WeakPolarHBondContact O-CB 3.11Å; Y187-E190 PolarHBondContact O-N 3.46Å; Y187-L191 HydrophobicContact CD1-CD1 4.38Å; Y187-L191 HydrophobicContact CD2-CG 4.23Å; Y187-L191 HydrophobicContact CE1-CD1 3.94Å; Y187-L191 HydrophobicContact CE2-CD1 4.18Å; Y187-L191 HydrophobicContact CE2-CD2 3.99Å; Y187-L191 HydrophobicContact CE2-CG 3.92Å; Y187-L191 WeakPolarHBondContact O-CG 3.32Å; Y187-L191 PolarHBondContact O-N 2.87Å; Y187-D257 PolarHBondContact OH-OD1 3.45Å; Y187-V265 HydrophobicContact CD1-CB 4.27Å; Y187-V265 HydrophobicContact CD1-CG1 3.81Å; Y187-V265 HydrophobicContact CD1-CG2 4.43Å; Y187-V265 HydrophobicContact CE1-CG1 3.92Å
188A94.1Very high86.1Confident0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-62.9-41176.800000112L184 S185 P186 L192 V265 W272L184-A188 HydrophobicContact CD1-CB 4.21Å; L184-A188 HydrophobicContact CG-CB 4.36Å; S185-A188 WeakPolarHBondContact O-CB 3.41Å; S185-A188 PolarHBondContact O-N 3.48Å; S185-A188 VanDerWaalsContact O-N 3.07Å; P186-A188 VanDerWaalsContact C-N 3.29Å; P186-A188 PolarHBondContact O-N 3.48Å; A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 3.25Å; A188-V265 HydrophobicContact CB-CG2 4.09Å; A188-V265 WeakPolarHBondContact CB-O 3.37Å; A188-W272 HydrophobicContact CB-CZ2 4.41Å
189L94.4Very high86.6Confident0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-73.2-34.3177.8-65.5177.3000112.3I167 H171 L184 P186 Y187 L192 T193 I219 W272I167-L189 HydrophobicContact CG2-CB 4.17Å; I167-L189 HydrophobicContact CG2-CD1 4.49Å; H171-L189 HydrophobicContact CB-CD1 3.51Å; L184-L189 HydrophobicContact CD2-CD1 4.32Å; L184-L189 HydrophobicContact CD2-CD2 3.88Å; L184-L189 HydrophobicContact CD2-CG 3.89Å; P186-L189 PolarHBondContact O-N 2.84Å; Y187-L189 VanDerWaalsContact C-N 3.34Å; Y187-L189 PolarHBondContact O-N 3.09Å; L189-L192 HydrophobicContact CD2-CD2 4.44Å; L189-L192 PolarHBondContact O-N 2.97Å; L189-T193 WeakPolarHBondContact O-CB 3.5Å; L189-T193 PolarHBondContact O-N 3.05Å; L189-T193 PolarHBondContact O-OG1 2.76Å; L189-I219 HydrophobicContact CD2-CD1 4.23Å; L189-W272 HydrophobicContact CD2-CH2 4.31Å
190E95.7Very high87.5Confident0 Ų029.2 Ų29.20%017%0.174CC..Hα-helixtrans-59.5-50.9171.5-67.9176.5162.600110.4S26 R29 T31 F153 I164 K168 P186 Y187 T193 V194S26-E190 PolarHBondContact OG-OE1 3.35Å; R29-E190 IonicContact CZ-OE2 3.67Å; R29-E190 IonicContact NE-OE2 2.57Å; R29-E190 PolarHBondContact NE-OE2 2.96Å; R29-E190 IonicContact NH2-OE1 2.72Å; R29-E190 IonicContact NH2-OE2 3.29Å; R29-E190 PolarHBondContact NH2-OE2 3.28Å; T31-E190 WeakPolarHBondContact CB-OE1 3.47Å; T31-E190 PolarHBondContact OG1-OE1 3.37Å; F153-E190 HydrophobicContact CE1-CB 4.02Å; F153-E190 HydrophobicContact CZ-CB 3.96Å; I164-E190 HydrophobicContact CG2-CB 4.34Å; I164-E190 HydrophobicContact CG2-CG 3.63Å; K168-E190 HydrophobicContact CD-CG 3.94Å; K168-E190 WeakPolarHBondContact CD-OE1 3.48Å; K168-E190 WeakPolarHBondContact CE-OE1 3.47Å; K168-E190 HydrophobicContact CG-CG 4.5Å; K168-E190 IonicContact NZ-OE1 3.99Å; K168-E190 PolarHBondContact NZ-OE1 3.31Å; P186-E190 VanDerWaalsContact O-CG 3.3Å; P186-E190 WeakPolarHBondContact O-CG 3.22Å; P186-E190 PolarHBondContact O-N 2.76Å; Y187-E190 WeakPolarHBondContact O-CB 3.11Å; Y187-E190 PolarHBondContact O-N 3.46Å; E190-T193 PolarHBondContact O-N 3.2Å; E190-V194 WeakPolarHBondContact O-CG2 3.41Å; E190-V194 PolarHBondContact O-N 2.96Å
191L96.7Very high88.1Confident0 Ų023.2 Ų23.20%014%0.144CC..Hα-helixtrans-63.7-40.9177.3-71.3-173.4000112.7F152 F153 Y187 T193 V194 Y195 W229 I255 P258 V265F152-L191 HydrophobicContact CD1-CD2 4.35Å; F152-L191 HydrophobicContact CE1-CD2 3.75Å; F153-L191 HydrophobicContact CE2-CD2 4.05Å; F153-L191 HydrophobicContact CZ-CD2 3.96Å; Y187-L191 HydrophobicContact CD1-CD1 4.38Å; Y187-L191 HydrophobicContact CD2-CG 4.23Å; Y187-L191 HydrophobicContact CE1-CD1 3.94Å; Y187-L191 HydrophobicContact CE2-CD1 4.18Å; Y187-L191 HydrophobicContact CE2-CD2 3.99Å; Y187-L191 HydrophobicContact CE2-CG 3.92Å; Y187-L191 WeakPolarHBondContact O-CG 3.32Å; Y187-L191 PolarHBondContact O-N 2.87Å; L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 2.83Å; L191-V194 PolarHBondContact O-N 3.4Å; L191-Y195 WeakPolarHBondContact O-CB 3.3Å; L191-Y195 PolarHBondContact O-N 3.35Å; L191-W229 HydrophobicContact CB-CH2 3.79Å; L191-W229 HydrophobicContact CB-CZ3 4.25Å; L191-W229 HydrophobicContact CD1-CZ3 4.18Å; L191-W229 HydrophobicContact CD2-CH2 4.17Å; L191-W229 HydrophobicContact CD2-CZ3 4.33Å; L191-W229 HydrophobicContact CG-CH2 4.38Å; L191-I255 HydrophobicContact CB-CG2 3.91Å; L191-I255 HydrophobicContact CD1-CG2 4.13Å; L191-P258 HydrophobicContact CD2-CG 3.91Å; L191-V265 HydrophobicContact CD1-CG2 3.74Å
192L96.7Very high88.9Confident0 Ų027.8 Ų27.80%016%0.157CC..Hα-helixtrans-60-40.8174.3-179.461.7000111.7A188 L189 Y195 A196 V215 L218 I219 L225 I227 I255 W272A188-L192 WeakPolarHBondContact O-CB 3.37Å; A188-L192 PolarHBondContact O-N 3.25Å; L189-L192 HydrophobicContact CD2-CD2 4.44Å; L189-L192 PolarHBondContact O-N 2.97Å; L192-Y195 PolarHBondContact O-N 2.57Å; L192-A196 WeakPolarHBondContact O-CB 3.4Å; L192-A196 PolarHBondContact O-N 3.29Å; L192-V215 HydrophobicContact CD2-CG1 4.21Å; L192-V215 HydrophobicContact CG-CG1 4.42Å; L192-L218 HydrophobicContact CD1-CB 4.12Å; L192-L218 HydrophobicContact CD1-CD1 4.06Å; L192-I219 HydrophobicContact CD2-CD1 4.32Å; L192-I219 HydrophobicContact CD2-CG1 3.62Å; L192-L225 HydrophobicContact CD1-CD1 4.3Å; L192-L225 HydrophobicContact CD1-CD2 4.18Å; L192-I227 HydrophobicContact CD1-CD1 3.36Å; L192-I255 HydrophobicContact CB-CD1 4.31Å; L192-W272 HydrophobicContact CD2-CH2 3.96Å; L192-W272 HydrophobicContact CD2-CZ3 3.97Å
193T97.1Very high89.7Confident0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-69.9-40.4179-54.90000111.4L160 L163 I164 L189 E190 L191 A196 W197 V215L160-T193 HydrophobicContact CD1-CG2 4.03Å; L163-T193 HydrophobicContact CB-CG2 4.38Å; L163-T193 HydrophobicContact CD2-CG2 3.73Å; L163-T193 HydrophobicContact CG-CG2 3.66Å; I164-T193 HydrophobicContact CG1-CG2 3.61Å; L189-T193 WeakPolarHBondContact O-CB 3.5Å; L189-T193 PolarHBondContact O-N 3.05Å; L189-T193 PolarHBondContact O-OG1 2.76Å; E190-T193 PolarHBondContact O-N 3.2Å; L191-T193 VanDerWaalsContact C-N 3.29Å; L191-T193 PolarHBondContact O-N 2.83Å; T193-A196 PolarHBondContact O-N 3.46Å; T193-W197 PolarHBondContact O-N 2.83Å; T193-V215 HydrophobicContact CG2-CG2 4.15Å
194V96.4Very high90.4Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-60.4-47.3172.6172.20000110.2F152 F153 L160 I164 E190 L191 A196 W197 E198F152-V194 HydrophobicContact CE1-CG1 3.92Å; F152-V194 HydrophobicContact CZ-CG1 3.94Å; F153-V194 HydrophobicContact CD1-CG2 4.47Å; F153-V194 HydrophobicContact CE1-CG2 3.86Å; F153-V194 HydrophobicContact CZ-CG2 4.28Å; L160-V194 HydrophobicContact CD2-CG2 4.23Å; I164-V194 HydrophobicContact CD1-CG2 4.06Å; E190-V194 WeakPolarHBondContact O-CG2 3.41Å; E190-V194 PolarHBondContact O-N 2.96Å; L191-V194 PolarHBondContact O-N 3.4Å; V194-A196 PolarHBondContact O-N 3Å; V194-W197 PolarHBondContact O-N 3.18Å; V194-E198 HydrophobicContact CG1-CG 4.12Å; V194-E198 WeakPolarHBondContact O-CB 3.37Å; V194-E198 WeakPolarHBondContact O-CG 3.36Å; V194-E198 PolarHBondContact O-N 3.11Å
195Y94.9Very high90.7Very high7 Ų738.4 Ų38.43%0.02720%0.197CC..Hα-helixtrans-58.7-46.3176.7175.2-99.9000112.1L191 L192 W197 E198 Q199 L218 I227 V299 L300L191-Y195 WeakPolarHBondContact O-CB 3.3Å; L191-Y195 PolarHBondContact O-N 3.35Å; L192-Y195 PolarHBondContact O-N 2.57Å; Y195-W197 VanDerWaalsContact C-N 3.3Å; Y195-W197 PolarHBondContact O-N 2.9Å; Y195-E198 PolarHBondContact O-N 3.33Å; Y195-Q199 HydrophobicContact CD1-CG 4.46Å; Y195-Q199 HydrophobicContact CD2-CG 3.74Å; Y195-Q199 HydrophobicContact CE1-CG 4.15Å; Y195-Q199 HydrophobicContact CE2-CG 3.38Å; Y195-Q199 HydrophobicContact CG-CG 4.27Å; Y195-Q199 WeakPolarHBondContact O-CB 3.49Å; Y195-Q199 WeakPolarHBondContact O-CG 3.42Å; Y195-Q199 PolarHBondContact O-N 3.32Å; Y195-L218 HydrophobicContact CD1-CD1 4.35Å; Y195-I227 HydrophobicContact CD1-CD1 3.52Å; Y195-I227 HydrophobicContact CD1-CG1 3.87Å; Y195-I227 HydrophobicContact CD1-CG2 4.48Å; Y195-I227 HydrophobicContact CD2-CB 4.41Å; Y195-I227 HydrophobicContact CD2-CD1 4.47Å; Y195-I227 HydrophobicContact CD2-CG1 4.18Å; Y195-I227 HydrophobicContact CD2-CG2 3.54Å; Y195-I227 HydrophobicContact CE1-CD1 4.03Å; Y195-I227 HydrophobicContact CE1-CG1 3.97Å; Y195-I227 HydrophobicContact CE2-CG1 4.26Å; Y195-I227 HydrophobicContact CE2-CG2 4.15Å; Y195-I227 HydrophobicContact CG-CB 4.49Å; Y195-I227 HydrophobicContact CG-CD1 3.77Å; Y195-I227 HydrophobicContact CG-CG1 3.97Å; Y195-I227 HydrophobicContact CG-CG2 3.71Å; Y195-V299 HydrophobicContact CD1-CG1 4.06Å; Y195-V299 HydrophobicContact CE1-CG1 3.57Å; Y195-L300 VanDerWaalsContact CE1-O 3.27Å; Y195-L300 WeakPolarHBondContact CE1-O 3.2Å; Y195-L300 PolarHBondContact OH-O 2.81Å
196A94.6Very high91Very high0 Ų036.5 Ų36.50%018%0.182CC..Hα-helixtrans-57-44.2177.100000111.8L192 T193 V194 G200 T214 V215 L218 V299L192-A196 WeakPolarHBondContact O-CB 3.4Å; L192-A196 PolarHBondContact O-N 3.29Å; T193-A196 PolarHBondContact O-N 3.46Å; V194-A196 PolarHBondContact O-N 3Å; A196-G200 WeakPolarHBondContact O-CA 3.4Å; A196-G200 PolarHBondContact O-N 3.14Å; A196-T214 HydrophobicContact CB-CG2 4.03Å; A196-V215 HydrophobicContact CB-CG2 3.81Å; A196-L218 HydrophobicContact CB-CD1 3.71Å; A196-V299 VanDerWaalsContact O-CG2 3.28Å; A196-V299 WeakPolarHBondContact O-CG2 3.39Å
197W94.4Very high91.1Very high13 Ų1339 Ų395%0.04919%0.193CC..Hα-helixtrans-69-42.9177.1172.884.8000112.9R156 P157 L160 T193 V194 Y195 G200 C201 R202 K203 F206 W297R156-W197 VanDerWaalsContact CD-CZ3 3.47Å; P157-W197 HydrophobicContact CG-CH2 4.24Å; P157-W197 HydrophobicContact CG-CZ2 3.6Å; L160-W197 HydrophobicContact CD1-CB 3.51Å; L160-W197 HydrophobicContact CD1-CD2 4.45Å; L160-W197 HydrophobicContact CD1-CG 3.78Å; L160-W197 HydrophobicContact CD2-CB 4.1Å; L160-W197 HydrophobicContact CD2-CD2 3.65Å; L160-W197 HydrophobicContact CD2-CE3 3.59Å; L160-W197 HydrophobicContact CD2-CG 3.88Å; L160-W197 HydrophobicContact CD2-CZ3 4.27Å; L160-W197 HydrophobicContact CG-CB 4.43Å; L160-W197 HydrophobicContact CG-CG 4.31Å; T193-W197 PolarHBondContact O-N 2.83Å; V194-W197 PolarHBondContact O-N 3.18Å; Y195-W197 VanDerWaalsContact C-N 3.3Å; Y195-W197 PolarHBondContact O-N 2.9Å; W197-G200 PolarHBondContact O-N 2.85Å; W197-C201 VanDerWaalsContact CD1-SG 3.55Å; W197-C201 PolarHBondContact O-N 2.68Å; W197-R202 HydrophobicContact CH2-CG 3.98Å; W197-R202 HydrophobicContact CZ2-CG 4.21Å; W197-R202 HydrophobicContact CZ3-CG 4.23Å; W197-R202 WeakPolarHBondContact O-CA 3.42Å; W197-R202 PolarHBondContact O-N 2.96Å; W197-K203 PolarHBondContact NE1-O 3.43Å; W197-F206 AromaticContact CD1-CD1 3.81Å; W197-F206 AromaticContact CD1-CE1 3.47Å; W197-F206 VanDerWaalsContact CD1-CE1 3.47Å; W197-F206 AromaticContact NE1-CD1 3.74Å; W197-F206 AromaticContact NE1-CE1 3.51Å; W197-W297 HydrophobicContact CB-CH2 4.42Å; W197-W297 HydrophobicContact CB-CZ3 3.97Å
198E90.3Very high91Very high26 Ų2640.5 Ų40.512%0.12120%0.202CC..Hα-helixtrans-65.1-42.1-178.9-75.7-179.5167.300112.9R156 V194 Y195 W229R156-E198 IonicContact CZ-OE1 2.76Å; R156-E198 VanDerWaalsContact CZ-OE1 3.26Å; R156-E198 IonicContact NE-OE1 2.79Å; R156-E198 PolarHBondContact NE-OE1 3.44Å; R156-E198 IonicContact NH2-OE1 2.66Å; R156-E198 PolarHBondContact NH2-OE1 3.03Å; V194-E198 HydrophobicContact CG1-CG 4.12Å; V194-E198 WeakPolarHBondContact O-CB 3.37Å; V194-E198 WeakPolarHBondContact O-CG 3.36Å; V194-E198 PolarHBondContact O-N 3.11Å; Y195-E198 PolarHBondContact O-N 3.33Å; E198-W229 PolarHBondContact OE2-NE1 3.42Å
199Q84.6Confident90.8Very high60 Ų6042.4 Ų42.428%0.2822%0.218SC..Hα-helixtrans-83.9-22179.4-61-50.7-42.500112.9Y195 V299Y195-Q199 HydrophobicContact CD1-CG 4.46Å; Y195-Q199 HydrophobicContact CD2-CG 3.74Å; Y195-Q199 HydrophobicContact CE1-CG 4.15Å; Y195-Q199 HydrophobicContact CE2-CG 3.38Å; Y195-Q199 HydrophobicContact CG-CG 4.27Å; Y195-Q199 WeakPolarHBondContact O-CB 3.49Å; Y195-Q199 WeakPolarHBondContact O-CG 3.42Å; Y195-Q199 PolarHBondContact O-N 3.32Å; Q199-V299 HydrophobicContact CB-CB 4.47Å; Q199-V299 HydrophobicContact CB-CG1 3.7Å; Q199-V299 HydrophobicContact CB-CG2 4.23Å; Q199-V299 HydrophobicContact CG-CG1 4.39Å
200G85.3Confident90.4Very high28 Ų2844.7 Ų44.729%0.28923%0.228SC..THydrogen-bonded Turntrans-89.2-111.2179.100000112.2A196 W197A196-G200 WeakPolarHBondContact O-CA 3.4Å; A196-G200 PolarHBondContact O-N 3.14Å; W197-G200 PolarHBondContact O-N 2.85Å
201C82Confident90.3Very high32 Ų3244.7 Ų44.722%0.21623%0.228CC..THydrogen-bonded Turntrans-77.9-36.4-170.971.30000114.2W197 K203 F206 W297W197-C201 VanDerWaalsContact CD1-SG 3.55Å; W197-C201 PolarHBondContact O-N 2.68Å; C201-K203 WeakPolarHBondContact O-CG 3.35Å; C201-K203 PolarHBondContact O-N 3.07Å; C201-F206 HydrophobicContact CB-CB 4.45Å; C201-F206 VanDerWaalsContact SG-CB 3.58Å; C201-W297 HydrophobicContact CB-CD2 4.27Å; C201-W297 HydrophobicContact CB-CG 4.45Å; C201-W297 HydrophobicContact CB-CZ2 4.24Å; C201-W297 WeakPolarHBondContact SG-CZ2 3.2Å
202R85.9Confident90.1Very high151 Ų15145.9 Ų45.957%0.5724%0.235SC*.  trans46.427.6-174.2-155.7-179.8176.1-177.4-0.3114.7W197W197-R202 HydrophobicContact CH2-CG 3.98Å; W197-R202 HydrophobicContact CZ2-CG 4.21Å; W197-R202 HydrophobicContact CZ3-CG 4.23Å; W197-R202 WeakPolarHBondContact O-CA 3.42Å; W197-R202 PolarHBondContact O-N 2.96Å
203K85.9Confident89.9Confident141 Ų14147.5 Ų47.561%0.61324%0.242SC*.  trans-96.6151176.5-69.5175.6-175.1178.50109.4W197 C201 N205 F206W197-K203 PolarHBondContact NE1-O 3.43Å; C201-K203 WeakPolarHBondContact O-CG 3.35Å; C201-K203 PolarHBondContact O-N 3.07Å; K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 VanDerWaalsContact CB-O 3.25Å; K203-N205 WeakPolarHBondContact CB-O 3.33Å; K203-N205 PolarHBondContact O-N 3.32Å; K203-F206 VanDerWaalsContact O-CD1 3.27Å; K203-F206 WeakPolarHBondContact O-CD1 3.45Å
204D86.6Confident89.7Confident124 Ų12447.6 Ų47.666%0.66324%0.242SC*.SBendtrans-67.7-33172.3-66.7-23000111.5P157P157-D204 HydrophobicContact CB-CB 4.29Å
205N87.5Confident89.6Confident118 Ų11847.6 Ų47.663%0.63124%0.242SC*.SBendtrans-116.8126.3175.7-166.128.5000110.4K159 K203K159-N205 PolarHBondContact NZ-OD1 3.1Å; K203-N205 VanDerWaalsContact C-N 3.26Å; K203-N205 VanDerWaalsContact CB-O 3.25Å; K203-N205 WeakPolarHBondContact CB-O 3.33Å; K203-N205 PolarHBondContact O-N 3.32Å
206F89Confident89.6Confident15 Ų1547.2 Ų47.27%0.06624%0.241CC..  trans-153.2167.2-17855.5-96.6000110.9K159 L160 L163 W197 C201 K203 I208 W297K159-F206 HydrophobicContact CB-CE1 4.09Å; K159-F206 HydrophobicContact CB-CZ 4.19Å; K159-F206 WeakPolarHBondContact CE-O 3.44Å; K159-F206 HydrophobicContact CG-CE1 4.29Å; K159-F206 HydrophobicContact CG-CE2 4.39Å; K159-F206 HydrophobicContact CG-CZ 4.09Å; K159-F206 PolarHBondContact NZ-O 3.42Å; L160-F206 HydrophobicContact CB-CE1 4.48Å; L160-F206 HydrophobicContact CB-CZ 4.38Å; L163-F206 HydrophobicContact CB-CE2 4.38Å; L163-F206 HydrophobicContact CB-CZ 4.45Å; L163-F206 HydrophobicContact CD2-CE2 4.06Å; L163-F206 HydrophobicContact CD2-CZ 4.38Å; W197-F206 AromaticContact CD1-CD1 3.81Å; W197-F206 AromaticContact CD1-CE1 3.47Å; W197-F206 VanDerWaalsContact CD1-CE1 3.47Å; W197-F206 AromaticContact NE1-CD1 3.74Å; W197-F206 AromaticContact NE1-CE1 3.51Å; C201-F206 HydrophobicContact CB-CB 4.45Å; C201-F206 VanDerWaalsContact SG-CB 3.58Å; K203-F206 VanDerWaalsContact O-CD1 3.27Å; K203-F206 WeakPolarHBondContact O-CD1 3.45Å; F206-I208 HydrophobicContact CE2-CG1 4.3Å; F206-I208 PolarHBondContact O-N 3.41Å; F206-W297 HydrophobicContact CB-CZ2 3.98Å; F206-W297 AromaticContact CD2-CH2 3.67Å; F206-W297 HydrophobicContact CD2-CH2 3.67Å; F206-W297 AromaticContact CD2-CZ2 3.39Å; F206-W297 HydrophobicContact CD2-CZ2 3.39Å; F206-W297 AromaticContact CE2-CH2 3.74Å; F206-W297 HydrophobicContact CE2-CH2 3.74Å; F206-W297 AromaticContact CE2-CZ2 3.97Å; F206-W297 HydrophobicContact CE2-CZ2 3.97Å; F206-W297 HydrophobicContact CG-CH2 4.15Å; F206-W297 AromaticContact CG-CZ2 3.74Å; F206-W297 HydrophobicContact CG-CZ2 3.74Å; F206-W297 HydrophobicContact CZ-CH2 4.3Å
207D88.1Confident89.5Confident88 Ų8850.9 Ų50.947%0.47126%0.258SS..  trans-75.6121.4174.3-173.1-62.3000110.6A209 E210 G211D207-A209 WeakPolarHBondContact OD1-CA 3.41Å; D207-A209 VanDerWaalsContact OD1-CB 3.3Å; D207-A209 WeakPolarHBondContact OD1-CB 3.21Å; D207-A209 PolarHBondContact OD1-N 3.06Å; D207-E210 HydrophobicContact CB-CB 3.86Å; D207-E210 PolarHBondContact O-N 2.74Å; D207-E210 PolarHBondContact OD1-N 3.39Å; D207-G211 PolarHBondContact O-N 3.09Å; D207-G211 VanDerWaalsContact O-N 3.11Å
208I91.6Very high89.5Confident47 Ų4750.5 Ų50.524%0.24126%0.257CS..Hα-helixtrans-69.1-36.8-177.1-68.5-178.2000111.2K159 D162 L163 L166 F206 E210 G211 V212K159-I208 HydrophobicContact CG-CD1 4.16Å; K159-I208 HydrophobicContact CG-CG1 4.25Å; D162-I208 HydrophobicContact CB-CD1 4.48Å; L163-I208 HydrophobicContact CD1-CG2 4.21Å; L166-I208 HydrophobicContact CD1-CG2 3.31Å; F206-I208 HydrophobicContact CE2-CG1 4.3Å; F206-I208 PolarHBondContact O-N 3.41Å; I208-E210 VanDerWaalsContact C-N 3.34Å; I208-G211 CarbonylContact O-C 3.47Å; I208-G211 PolarHBondContact O-N 2.84Å; I208-V212 HydrophobicContact CG2-CG2 4.35Å; I208-V212 WeakPolarHBondContact O-CG2 3.43Å; I208-V212 PolarHBondContact O-N 2.76Å
209A88.9Confident89.7Confident40 Ų4049.2 Ų49.233%0.33125%0.251SS..Hα-helixtrans-66.1-40.5179.300000110.6D207 G211 V212 R213D207-A209 WeakPolarHBondContact OD1-CA 3.41Å; D207-A209 VanDerWaalsContact OD1-CB 3.3Å; D207-A209 WeakPolarHBondContact OD1-CB 3.21Å; D207-A209 PolarHBondContact OD1-N 3.06Å; A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 2.96Å; A209-V212 PolarHBondContact O-N 3.32Å; A209-R213 WeakPolarHBondContact O-CG 3.47Å; A209-R213 PolarHBondContact O-N 3.32Å
210E87.2Confident90.1Very high48 Ų4850.5 Ų50.522%0.22426%0.255CS..Hα-helixtrans-57.5-44.5170.6-168.6-174.2-166.400111.4D207 I208 R213 T214 P295 W297D207-E210 HydrophobicContact CB-CB 3.86Å; D207-E210 PolarHBondContact O-N 2.74Å; D207-E210 PolarHBondContact OD1-N 3.39Å; I208-E210 VanDerWaalsContact C-N 3.34Å; E210-R213 PolarHBondContact O-N 3.45Å; E210-T214 PolarHBondContact O-N 3.21Å; E210-T214 PolarHBondContact O-OG1 3.18Å; E210-P295 HydrophobicContact CG-CB 4.42Å; E210-P295 WeakPolarHBondContact CG-O 3.37Å; E210-W297 HydrophobicContact CG-CG 4.39Å; E210-W297 PolarHBondContact OE2-NE1 3.37Å
211G92.3Very high90.3Very high0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-61.3-42.8174.400000113.4D207 I208 A209 T214 V215 W297D207-G211 PolarHBondContact O-N 3.09Å; D207-G211 VanDerWaalsContact O-N 3.11Å; I208-G211 CarbonylContact O-C 3.47Å; I208-G211 PolarHBondContact O-N 2.84Å; A209-G211 VanDerWaalsContact C-N 3.31Å; A209-G211 PolarHBondContact O-N 2.96Å; G211-T214 WeakPolarHBondContact O-CB 3.45Å; G211-T214 PolarHBondContact O-N 2.98Å; G211-V215 WeakPolarHBondContact O-CG2 3.38Å; G211-V215 PolarHBondContact O-N 3.17Å; G211-V215 VanDerWaalsContact O-N 3.09Å; G211-W297 VanDerWaalsContact CA-CH2 3.44Å
212V93.9Very high90.8Very high25 Ų2550 Ų5015%0.15225%0.247CC..Hα-helixtrans-63.3-48.8176.6173.10000110.6L163 I167 I208 A209 T214 V215 L216 L288L163-V212 HydrophobicContact CD1-CB 4.4Å; L163-V212 HydrophobicContact CD1-CG2 3.5Å; I167-V212 HydrophobicContact CD1-CB 4.46Å; I167-V212 HydrophobicContact CD1-CG1 4.18Å; I167-V212 HydrophobicContact CD1-CG2 4.26Å; I208-V212 HydrophobicContact CG2-CG2 4.35Å; I208-V212 WeakPolarHBondContact O-CG2 3.43Å; I208-V212 PolarHBondContact O-N 2.76Å; A209-V212 PolarHBondContact O-N 3.32Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 3.5Å; V212-V215 PolarHBondContact O-N 3.1Å; V212-L216 HydrophobicContact CG1-CD1 3.94Å; V212-L216 HydrophobicContact CG1-CG 4.24Å; V212-L216 WeakPolarHBondContact O-CG 3.46Å; V212-L216 PolarHBondContact O-N 3.12Å; V212-L288 HydrophobicContact CG1-CD2 3.97Å
213R91.2Very high91Very high35 Ų3548.1 Ų48.113%0.13225%0.245CC..Hα-helixtrans-55-46.2176.9-70.1-175.8-146.7100.43.6111A209 E210 V215 L216 E217 L283 L288 A294 P295A209-R213 WeakPolarHBondContact O-CG 3.47Å; A209-R213 PolarHBondContact O-N 3.32Å; E210-R213 PolarHBondContact O-N 3.45Å; R213-V215 PolarHBondContact O-N 2.88Å; R213-L216 PolarHBondContact O-N 2.99Å; R213-E217 WeakPolarHBondContact O-CB 3.27Å; R213-E217 WeakPolarHBondContact O-CG 3.47Å; R213-E217 PolarHBondContact O-N 2.64Å; R213-L283 HydrophobicContact CB-CD2 4.21Å; R213-L283 HydrophobicContact CG-CD2 4.28Å; R213-L288 HydrophobicContact CG-CD2 3.73Å; R213-L288 PolarHBondContact NE-O 3Å; R213-L288 PolarHBondContact NH2-O 3.12Å; R213-A294 VanDerWaalsContact NE-CB 3.31Å; R213-P295 WeakPolarHBondContact CD-O 3.08Å; R213-P295 PolarHBondContact NH1-O 3.08Å
214T92.3Very high91.2Very high1 Ų145 Ų451%0.00623%0.232CC..Hα-helixtrans-55.8-49.8177.8-51.90000112.1A196 E210 G211 V212 L216 E217 L218 W297 V299A196-T214 HydrophobicContact CB-CG2 4.03Å; E210-T214 PolarHBondContact O-N 3.21Å; E210-T214 PolarHBondContact O-OG1 3.18Å; G211-T214 WeakPolarHBondContact O-CB 3.45Å; G211-T214 PolarHBondContact O-N 2.98Å; V212-T214 VanDerWaalsContact C-N 3.27Å; V212-T214 PolarHBondContact O-N 3.5Å; T214-L216 PolarHBondContact O-N 2.87Å; T214-E217 PolarHBondContact O-N 3.5Å; T214-L218 HydrophobicContact CG2-CD1 4.43Å; T214-L218 WeakPolarHBondContact O-CG 3.5Å; T214-L218 PolarHBondContact O-N 2.98Å; T214-W297 HydrophobicContact CG2-CB 3.83Å; T214-W297 HydrophobicContact CG2-CE3 4.05Å; T214-W297 HydrophobicContact CG2-CG 4.49Å; T214-W297 WeakPolarHBondContact OG1-CB 3.32Å; T214-W297 PolarHBondContact OG1-N 2.67Å; T214-V299 HydrophobicContact CG2-CB 4.08Å; T214-V299 HydrophobicContact CG2-CG2 3.63Å
215V95.9Very high91.4Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-64.3-42.2-179.1174.60000110.7I167 L192 T193 A196 G211 V212 R213 E217 L218 I219I167-V215 HydrophobicContact CD1-CB 3.85Å; I167-V215 HydrophobicContact CD1-CG1 3.77Å; I167-V215 HydrophobicContact CD1-CG2 4.37Å; I167-V215 HydrophobicContact CG1-CB 4.28Å; I167-V215 HydrophobicContact CG1-CG1 4.01Å; I167-V215 HydrophobicContact CG1-CG2 4.35Å; I167-V215 HydrophobicContact CG2-CG1 4.07Å; L192-V215 HydrophobicContact CD2-CG1 4.21Å; L192-V215 HydrophobicContact CG-CG1 4.42Å; T193-V215 HydrophobicContact CG2-CG2 4.15Å; A196-V215 HydrophobicContact CB-CG2 3.81Å; G211-V215 WeakPolarHBondContact O-CG2 3.38Å; G211-V215 PolarHBondContact O-N 3.17Å; G211-V215 VanDerWaalsContact O-N 3.09Å; V212-V215 PolarHBondContact O-N 3.1Å; R213-V215 PolarHBondContact O-N 2.88Å; V215-E217 PolarHBondContact O-N 2.99Å; V215-L218 WeakPolarHBondContact O-CB 3.02Å; V215-L218 PolarHBondContact O-N 3.27Å; V215-I219 HydrophobicContact CG1-CD1 4.12Å; V215-I219 VanDerWaalsContact O-CG1 3.31Å; V215-I219 WeakPolarHBondContact O-CG1 3.36Å; V215-I219 PolarHBondContact O-N 3.2Å
216L94.8Very high91.6Very high0 Ų033.5 Ų33.50%017%0.17CC..Hα-helixtrans-64.2-38.4176.9-65.1-179.1000112.3W170 V212 R213 T214 I219 K220 A279 W282 L283 L288W170-L216 HydrophobicContact CD2-CD2 4.02Å; W170-L216 HydrophobicContact CE3-CD2 4.12Å; W170-L216 HydrophobicContact CH2-CD2 3.64Å; W170-L216 HydrophobicContact CZ2-CD2 3.5Å; W170-L216 HydrophobicContact CZ3-CD2 3.95Å; V212-L216 HydrophobicContact CG1-CD1 3.94Å; V212-L216 HydrophobicContact CG1-CG 4.24Å; V212-L216 WeakPolarHBondContact O-CG 3.46Å; V212-L216 PolarHBondContact O-N 3.12Å; R213-L216 PolarHBondContact O-N 2.99Å; T214-L216 PolarHBondContact O-N 2.87Å; L216-I219 HydrophobicContact CD2-CD1 4.35Å; L216-I219 PolarHBondContact O-N 2.71Å; L216-K220 PolarHBondContact O-N 3.38Å; L216-A279 HydrophobicContact CB-CB 4.13Å; L216-A279 HydrophobicContact CD2-CB 3.98Å; L216-W282 HydrophobicContact CD1-CB 4.03Å; L216-L283 HydrophobicContact CB-CD1 4Å; L216-L283 HydrophobicContact CB-CD2 3.96Å; L216-L283 HydrophobicContact CB-CG 3.86Å; L216-L283 HydrophobicContact CD1-CD2 4.32Å; L216-L283 HydrophobicContact CD1-CG 4.26Å; L216-L288 HydrophobicContact CD1-CD2 4.23Å
217E91.9Very high91.8Very high76 Ų7632.8 Ų32.836%0.35517%0.167SC..Hα-helixtrans-64.6-38.7174.6-75.6179.1160.200112.4R213 T214 V215 K220 C221 L283 S296R213-E217 WeakPolarHBondContact O-CB 3.27Å; R213-E217 WeakPolarHBondContact O-CG 3.47Å; R213-E217 PolarHBondContact O-N 2.64Å; T214-E217 PolarHBondContact O-N 3.5Å; V215-E217 PolarHBondContact O-N 2.99Å; E217-K220 WeakPolarHBondContact O-CB 3.39Å; E217-K220 PolarHBondContact O-N 3.35Å; E217-C221 PolarHBondContact O-N 3.22Å; E217-C221 VanDerWaalsContact O-N 3.15Å; E217-C221 PolarHBondContact O-SG 2.98Å; E217-C221 VanDerWaalsContact O-SG 3.35Å; E217-L283 HydrophobicContact CG-CD1 3.99Å; E217-L283 HydrophobicContact CG-CD2 4.21Å; E217-S296 PolarHBondContact OE1-OG 3.2Å; E217-S296 WeakPolarHBondContact OE2-CB 3.43Å; E217-S296 PolarHBondContact OE2-OG 2.85Å
218L94.1Very high92Very high5 Ų529.8 Ų29.83%0.02615%0.149CC..Hα-helixtrans-64.6-44.1173.2-71.9172.9000111.6L192 Y195 A196 T214 V215 K220 C221 Q222 L225 V299 P301L192-L218 HydrophobicContact CD1-CB 4.12Å; L192-L218 HydrophobicContact CD1-CD1 4.06Å; Y195-L218 HydrophobicContact CD1-CD1 4.35Å; A196-L218 HydrophobicContact CB-CD1 3.71Å; T214-L218 HydrophobicContact CG2-CD1 4.43Å; T214-L218 WeakPolarHBondContact O-CG 3.5Å; T214-L218 PolarHBondContact O-N 2.98Å; V215-L218 WeakPolarHBondContact O-CB 3.02Å; V215-L218 PolarHBondContact O-N 3.27Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.49Å; L218-C221 CarbonylContact O-C 3.57Å; L218-C221 VanDerWaalsContact O-C 3.29Å; L218-C221 WeakPolarHBondContact O-CA 3.29Å; L218-C221 PolarHBondContact O-N 3.36Å; L218-Q222 PolarHBondContact O-N 2.91Å; L218-L225 HydrophobicContact CB-CD2 4.16Å; L218-L225 HydrophobicContact CD2-CD2 4.19Å; L218-V299 HydrophobicContact CD1-CB 4.29Å; L218-V299 HydrophobicContact CD1-CG1 3.91Å; L218-V299 HydrophobicContact CD2-CB 4.31Å; L218-V299 HydrophobicContact CD2-CG1 4Å; L218-V299 HydrophobicContact CG-CG1 4.48Å; L218-P301 HydrophobicContact CD2-CB 4.22Å
219I94.8Very high92Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-59.3-42.6174.3-67.7170.3000110.8W170 L189 L192 V215 L216 C221 Q222 W272 L275 A279W170-I219 HydrophobicContact CH2-CD1 3.83Å; W170-I219 HydrophobicContact CZ3-CD1 3.6Å; L189-I219 HydrophobicContact CD2-CD1 4.23Å; L192-I219 HydrophobicContact CD2-CD1 4.32Å; L192-I219 HydrophobicContact CD2-CG1 3.62Å; V215-I219 HydrophobicContact CG1-CD1 4.12Å; V215-I219 VanDerWaalsContact O-CG1 3.31Å; V215-I219 WeakPolarHBondContact O-CG1 3.36Å; V215-I219 PolarHBondContact O-N 3.2Å; L216-I219 HydrophobicContact CD2-CD1 4.35Å; L216-I219 PolarHBondContact O-N 2.71Å; I219-C221 PolarHBondContact O-N 2.81Å; I219-Q222 VanDerWaalsContact O-CB 3.28Å; I219-Q222 WeakPolarHBondContact O-CB 3.5Å; I219-Q222 PolarHBondContact O-N 2.65Å; I219-W272 HydrophobicContact CG1-CZ3 4.04Å; I219-W272 HydrophobicContact CG2-CE3 4.49Å; I219-L275 HydrophobicContact CG2-CB 3.71Å; I219-A279 HydrophobicContact CB-CB 4.25Å; I219-A279 HydrophobicContact CG2-CB 3.97Å
220K92.8Very high91.9Very high87 Ų8729.6 Ų29.638%0.37814%0.14SC..Hα-helixtrans-58.9-31175.5176.4179.5167.9172.80112.1L216 E217 L218 K276 Q280 L283L216-K220 PolarHBondContact O-N 3.38Å; E217-K220 WeakPolarHBondContact O-CB 3.39Å; E217-K220 PolarHBondContact O-N 3.35Å; L218-K220 VanDerWaalsContact C-N 3.31Å; L218-K220 PolarHBondContact O-N 3.49Å; K220-K276 WeakPolarHBondContact O-CD 3.17Å; K220-K276 WeakPolarHBondContact O-CE 3.42Å; K220-Q280 VanDerWaalsContact CD-OE1 3.28Å; K220-L283 HydrophobicContact CD-CD1 4.47Å
221C89.9Confident91.8Very high50 Ų5031.7 Ų31.734%0.33816%0.157SC..THydrogen-bonded Turntrans-9321.7177.8-63.70000113.6E217 L218 I219 E223 K224 L225 P301E217-C221 PolarHBondContact O-N 3.22Å; E217-C221 VanDerWaalsContact O-N 3.15Å; E217-C221 PolarHBondContact O-SG 2.98Å; E217-C221 VanDerWaalsContact O-SG 3.35Å; L218-C221 CarbonylContact O-C 3.57Å; L218-C221 VanDerWaalsContact O-C 3.29Å; L218-C221 WeakPolarHBondContact O-CA 3.29Å; L218-C221 PolarHBondContact O-N 3.36Å; I219-C221 PolarHBondContact O-N 2.81Å; C221-E223 PolarHBondContact O-N 2.96Å; C221-K224 WeakPolarHBondContact O-CB 2.99Å; C221-K224 PolarHBondContact O-N 2.83Å; C221-L225 PolarHBondContact O-N 3.23Å; C221-P301 HydrophobicContact CB-CB 4.12Å; C221-P301 HydrophobicContact CB-CG 4.38Å
222Q92.2Very high91.7Very high0 Ų032.9 Ų32.90%016%0.163CC..G310 helixtrans-49.5-33.6-176.165.486.210.100115.6L218 I219 K224 L225 W272 K276L218-Q222 PolarHBondContact O-N 2.91Å; I219-Q222 VanDerWaalsContact O-CB 3.28Å; I219-Q222 WeakPolarHBondContact O-CB 3.5Å; I219-Q222 PolarHBondContact O-N 2.65Å; Q222-K224 PolarHBondContact O-N 2.99Å; Q222-L225 HydrophobicContact CB-CD1 4.21Å; Q222-L225 PolarHBondContact O-N 3.29Å; Q222-W272 HydrophobicContact CB-CB 4.07Å; Q222-W272 HydrophobicContact CB-CD2 4.44Å; Q222-W272 HydrophobicContact CB-CE3 3.97Å; Q222-W272 HydrophobicContact CG-CB 3.98Å; Q222-K276 HydrophobicContact CG-CB 4.46Å; Q222-K276 HydrophobicContact CG-CD 4.35Å
223E91Very high91.4Very high111 Ų11132 Ų3252%0.51916%0.157SC..G310 helixtrans-64.9-13.8178.6-62.4165.8-160.800113C221 R252 K276C221-E223 PolarHBondContact O-N 2.96Å; E223-R252 VanDerWaalsContact O-CB 3.25Å; E223-R252 WeakPolarHBondContact O-CB 3.25Å; E223-R252 VanDerWaalsContact O-CG 3.32Å; E223-R252 WeakPolarHBondContact O-CG 3.29Å; E223-K276 IonicContact OE1-NZ 3.26Å; E223-K276 PolarHBondContact OE1-NZ 3.01Å; E223-K276 IonicContact OE2-NZ 2.64Å
224K88.5Confident91.1Very high76 Ų7632.5 Ų32.533%0.3316%0.162SC..G310 helixtrans-110.9-7.1177.6-53.3-172.8-174.7-176.10112.3C221 Q222 C226 P301 A302 E318 F319C221-K224 WeakPolarHBondContact O-CB 2.99Å; C221-K224 PolarHBondContact O-N 2.83Å; Q222-K224 PolarHBondContact O-N 2.99Å; K224-C226 PolarHBondContact O-N 2.66Å; K224-P301 HydrophobicContact CB-CB 4Å; K224-P301 HydrophobicContact CB-CG 3.84Å; K224-P301 HydrophobicContact CD-CG 4.41Å; K224-A302 WeakPolarHBondContact O-CB 3.25Å; K224-E318 IonicContact NZ-OE1 3.18Å; K224-E318 PolarHBondContact NZ-OE1 3.23Å; K224-E318 IonicContact NZ-OE2 2.66Å; K224-E318 PolarHBondContact NZ-OE2 2.93Å; K224-F319 HydrophobicContact CD-CZ 3.93Å
225L92Very high90.6Very high0 Ų032.8 Ų32.80%016%0.163CC..  trans-68119.8-172.3-76.5178.3000112.2L192 L218 C221 Q222 I227 R252 P253 V254 W272 P301L192-L225 HydrophobicContact CD1-CD1 4.3Å; L192-L225 HydrophobicContact CD1-CD2 4.18Å; L218-L225 HydrophobicContact CB-CD2 4.16Å; L218-L225 HydrophobicContact CD2-CD2 4.19Å; C221-L225 PolarHBondContact O-N 3.23Å; Q222-L225 HydrophobicContact CB-CD1 4.21Å; Q222-L225 PolarHBondContact O-N 3.29Å; L225-I227 HydrophobicContact CD2-CD1 4.31Å; L225-R252 WeakPolarHBondContact O-CD 3.27Å; L225-P253 HydrophobicContact CB-CB 3.79Å; L225-P253 HydrophobicContact CD1-CB 4.41Å; L225-P253 WeakPolarHBondContact O-CA 3.41Å; L225-V254 PolarHBondContact O-N 3.25Å; L225-W272 HydrophobicContact CD1-CE3 4.36Å; L225-W272 HydrophobicContact CD1-CH2 4.39Å; L225-W272 HydrophobicContact CD1-CZ3 3.88Å; L225-P301 VanDerWaalsContact CA-O 3.27Å; L225-P301 WeakPolarHBondContact CA-O 3.49Å; L225-P301 HydrophobicContact CD2-CB 3.83Å
226C92.1Very high90Very high0 Ų037.3 Ų37.30%018%0.184CC..EExtended strand (participates in β ladder)trans-142.199.9173.6-168.50000109.1K224 L248 V254 P301 A302 P303K224-C226 PolarHBondContact O-N 2.66Å; C226-L248 VanDerWaalsContact SG-CD2 3.58Å; C226-V254 CarbonylContact C-O 3.56Å; C226-V254 VanDerWaalsContact CA-O 3.32Å; C226-V254 WeakPolarHBondContact CA-O 3.41Å; C226-P301 PolarHBondContact N-O 3.1Å; C226-A302 HydrophobicContact CB-CB 3.99Å; C226-P303 WeakPolarHBondContact O-CD 3.4Å
227I93.2Very high89.7Confident0 Ų037.9 Ų37.90%019%0.188CC..EExtended strand (participates in β ladder)trans-118.4132.6-171.5-60.5173.6000108.9L192 Y195 L225 W229 V254 I255 L256L192-I227 HydrophobicContact CD1-CD1 3.36Å; Y195-I227 HydrophobicContact CD1-CD1 3.52Å; Y195-I227 HydrophobicContact CD1-CG1 3.87Å; Y195-I227 HydrophobicContact CD1-CG2 4.48Å; Y195-I227 HydrophobicContact CD2-CB 4.41Å; Y195-I227 HydrophobicContact CD2-CD1 4.47Å; Y195-I227 HydrophobicContact CD2-CG1 4.18Å; Y195-I227 HydrophobicContact CD2-CG2 3.54Å; Y195-I227 HydrophobicContact CE1-CD1 4.03Å; Y195-I227 HydrophobicContact CE1-CG1 3.97Å; Y195-I227 HydrophobicContact CE2-CG1 4.26Å; Y195-I227 HydrophobicContact CE2-CG2 4.15Å; Y195-I227 HydrophobicContact CG-CB 4.49Å; Y195-I227 HydrophobicContact CG-CD1 3.77Å; Y195-I227 HydrophobicContact CG-CG1 3.97Å; Y195-I227 HydrophobicContact CG-CG2 3.71Å; L225-I227 HydrophobicContact CD2-CD1 4.31Å; I227-W229 HydrophobicContact CG2-CE3 4.3Å; I227-W229 HydrophobicContact CG2-CH2 3.28Å; I227-W229 HydrophobicContact CG2-CZ2 3.86Å; I227-W229 HydrophobicContact CG2-CZ3 3.55Å; I227-V254 PolarHBondContact N-O 2.79Å; I227-I255 HydrophobicContact CB-CG1 4.37Å; I227-I255 HydrophobicContact CB-CG2 4.34Å; I227-I255 HydrophobicContact CD1-CD1 4.41Å; I227-I255 HydrophobicContact CD1-CG1 4.23Å; I227-I255 HydrophobicContact CG2-CG2 4.47Å; I227-L256 PolarHBondContact O-N 2.65Å
228Y92.4Very high89.6Confident24 Ų2441 Ų419%0.09420%0.202CC..  trans-153.3160.8173.971.6-78.9000110.2M230 F235 L248 P303 F305 T306Y228-M230 HydrophobicContact CD2-CG 4.08Å; Y228-M230 HydrophobicContact CE2-CE 4.48Å; Y228-M230 HydrophobicContact CE2-CG 3.75Å; Y228-M230 HydrophobicContact CE2-SD 4.04Å; Y228-F235 AromaticContact CE2-CE2 3.82Å; Y228-F235 HydrophobicContact CE2-CE2 3.82Å; Y228-F235 HydrophobicContact CE2-CZ 4.08Å; Y228-L248 HydrophobicContact CD1-CD2 3.6Å; Y228-L248 HydrophobicContact CE1-CD1 4.49Å; Y228-L248 HydrophobicContact CE1-CD2 4.22Å; Y228-L248 HydrophobicContact CG-CD2 3.99Å; Y228-P303 HydrophobicContact CD1-CG 4.34Å; Y228-P303 HydrophobicContact CE1-CB 4.19Å; Y228-P303 HydrophobicContact CE1-CG 3.87Å; Y228-F305 WeakPolarHBondContact OH-CB 3.5Å; Y228-F305 VanDerWaalsContact OH-CD1 3.27Å; Y228-F305 WeakPolarHBondContact OH-CD1 3.33Å; Y228-F305 WeakPolarHBondContact OH-CG 3.44Å; Y228-T306 HydrophobicContact CD1-CG2 4.21Å; Y228-T306 HydrophobicContact CE1-CG2 3.63Å
229W91.1Very high89.4Confident14 Ų1443.1 Ų43.15%0.05322%0.215CC..  trans-119.1158.6174.5-69.8-92.6000110.2F152 L191 E198 I227 V231 Y233 I255 L256 P258F152-W229 AromaticContact CE2-CD1 3.85Å; F152-W229 HydrophobicContact CE2-CD2 4.4Å; F152-W229 HydrophobicContact CE2-CG 4.1Å; F152-W229 AromaticContact CZ-CD1 3.97Å; F152-W229 HydrophobicContact CZ-CD2 4.1Å; F152-W229 AromaticContact CZ-CE2 3.73Å; F152-W229 HydrophobicContact CZ-CG 4.25Å; F152-W229 HydrophobicContact CZ-CZ2 4.2Å; F152-W229 AromaticContact CZ-NE1 3.64Å; L191-W229 HydrophobicContact CB-CH2 3.79Å; L191-W229 HydrophobicContact CB-CZ3 4.25Å; L191-W229 HydrophobicContact CD1-CZ3 4.18Å; L191-W229 HydrophobicContact CD2-CH2 4.17Å; L191-W229 HydrophobicContact CD2-CZ3 4.33Å; L191-W229 HydrophobicContact CG-CH2 4.38Å; E198-W229 PolarHBondContact OE2-NE1 3.42Å; I227-W229 HydrophobicContact CG2-CE3 4.3Å; I227-W229 HydrophobicContact CG2-CH2 3.28Å; I227-W229 HydrophobicContact CG2-CZ2 3.86Å; I227-W229 HydrophobicContact CG2-CZ3 3.55Å; W229-V231 HydrophobicContact CB-CG2 4.26Å; W229-Y233 WeakPolarHBondContact O-CE2 3.46Å; W229-I255 HydrophobicContact CZ3-CG2 4.39Å; W229-L256 VanDerWaalsContact CE3-O 3.31Å; W229-L256 WeakPolarHBondContact CZ3-O 3.46Å; W229-P258 HydrophobicContact CB-CB 3.94Å; W229-P258 HydrophobicContact CD2-CB 4.03Å; W229-P258 HydrophobicContact CE3-CB 3.97Å; W229-P258 HydrophobicContact CE3-CG 4.36Å; W229-P258 HydrophobicContact CG-CB 4.02Å
230M86.3Confident89.2Confident69 Ų6943.2 Ų43.234%0.3422%0.216SC..  trans-12230.6173.2-62.8-174.5-70.500111.8Y228 Y233 F235Y228-M230 HydrophobicContact CD2-CG 4.08Å; Y228-M230 HydrophobicContact CE2-CE 4.48Å; Y228-M230 HydrophobicContact CE2-CG 3.75Å; Y228-M230 HydrophobicContact CE2-SD 4.04Å; M230-Y233 CarbonylContact C-O 3.59Å; M230-Y233 VanDerWaalsContact C-O 3.26Å; M230-Y233 WeakPolarHBondContact CA-O 3.26Å; M230-F235 HydrophobicContact CG-CE2 4.38Å; M230-F235 HydrophobicContact SD-CD2 3.63Å; M230-F235 HydrophobicContact SD-CE2 3.59Å; M230-F235 VanDerWaalsContact SD-CE2 3.59Å
231V85.8Confident89Confident93 Ų9343 Ų4356%0.56421%0.213SC*.SBendtrans-78.8-42.9-174.5-175.80000110.7W229W229-V231 HydrophobicContact CB-CG2 4.26Å
232N88.8Confident89Confident25 Ų2544.9 Ų44.913%0.13422%0.219CC..SBendtrans-106.6-21.4-176.6-63.5-63.8000113.4P119 Y124 P258P119-N232 HydrophobicContact CG-CB 3.81Å; P119-N232 WeakPolarHBondContact CG-O 3.37Å; Y124-N232 VanDerWaalsContact CE2-O 3.31Å; Y124-N232 WeakPolarHBondContact CE2-O 3.3Å; Y124-N232 WeakPolarHBondContact OH-CB 3.15Å; N232-P258 PolarHBondContact ND2-O 3.03Å
233Y89.5Confident89Confident7 Ų745.7 Ų45.73%0.02722%0.224CC..  trans-139.9158.9178.454.5-107.3000109.5Y124 W229 M230 I240 L244 D257 P261Y124-Y233 HydrophobicContact CE1-CD1 4.3Å; W229-Y233 WeakPolarHBondContact O-CE2 3.46Å; M230-Y233 CarbonylContact C-O 3.59Å; M230-Y233 VanDerWaalsContact C-O 3.26Å; M230-Y233 WeakPolarHBondContact CA-O 3.26Å; Y233-I240 HydrophobicContact CD2-CG2 4.49Å; Y233-L244 HydrophobicContact CD2-CD1 3.94Å; Y233-L244 HydrophobicContact CD2-CD2 3.81Å; Y233-L244 HydrophobicContact CD2-CG 4.37Å; Y233-L244 HydrophobicContact CE2-CD1 4.24Å; Y233-L244 HydrophobicContact CE2-CD2 3.4Å; Y233-L244 HydrophobicContact CE2-CG 4.39Å; Y233-D257 WeakPolarHBondContact CE1-O 3.32Å; Y233-D257 PolarHBondContact OH-O 3.31Å; Y233-P261 HydrophobicContact CD1-CB 3.84Å; Y233-P261 HydrophobicContact CD1-CG 4.02Å; Y233-P261 HydrophobicContact CD2-CB 3.98Å; Y233-P261 HydrophobicContact CE1-CB 3.82Å; Y233-P261 HydrophobicContact CE1-CG 4.35Å; Y233-P261 HydrophobicContact CE2-CB 3.99Å; Y233-P261 HydrophobicContact CG-CB 3.91Å; Y233-P261 HydrophobicContact CG-CG 4.22Å
234N84.1Confident89Confident44 Ų4440.4 Ų40.424%0.23520%0.199CC..  trans-148.6-179-178.469.426000111.6E236 I240N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact ND2-OE2 3.48Å; N234-E236 VanDerWaalsContact OD1-CB 3.22Å; N234-E236 WeakPolarHBondContact OD1-CB 3.39Å; N234-E236 PolarHBondContact OD1-N 2.85Å; N234-I240 WeakPolarHBondContact O-CG2 2.97Å
235F82.7Confident88.9Confident7 Ų737.8 Ų37.83%0.03119%0.188CC..SBendtrans-84.80.2178.9-62.8-84000114Y228 M230 R241 L244 L245 L248 F305Y228-F235 AromaticContact CE2-CE2 3.82Å; Y228-F235 HydrophobicContact CE2-CE2 3.82Å; Y228-F235 HydrophobicContact CE2-CZ 4.08Å; M230-F235 HydrophobicContact CG-CE2 4.38Å; M230-F235 HydrophobicContact SD-CD2 3.63Å; M230-F235 HydrophobicContact SD-CE2 3.59Å; M230-F235 VanDerWaalsContact SD-CE2 3.59Å; F235-R241 HydrophobicContact CB-CB 4.5Å; F235-R241 HydrophobicContact CB-CG 4.21Å; F235-R241 HydrophobicContact CD1-CB 4.37Å; F235-R241 HydrophobicContact CD1-CG 3.91Å; F235-R241 VanDerWaalsContact O-CZ 3.23Å; F235-R241 PolarHBondContact O-NE 3.08Å; F235-R241 PolarHBondContact O-NH2 3.06Å; F235-R241 VanDerWaalsContact O-NH2 3.16Å; F235-L244 HydrophobicContact CD1-CB 4.18Å; F235-L244 HydrophobicContact CD1-CD1 3.89Å; F235-L244 HydrophobicContact CD2-CD1 4.45Å; F235-L244 HydrophobicContact CE1-CB 3.53Å; F235-L244 HydrophobicContact CE1-CD1 3.75Å; F235-L244 HydrophobicContact CE1-CG 4.3Å; F235-L244 HydrophobicContact CE2-CD1 4.31Å; F235-L244 HydrophobicContact CG-CD1 4.26Å; F235-L244 HydrophobicContact CZ-CB 4.11Å; F235-L244 HydrophobicContact CZ-CD1 3.96Å; F235-L245 HydrophobicContact CE1-CD2 4.3Å; F235-L245 HydrophobicContact CE1-CG 4.45Å; F235-L248 HydrophobicContact CE1-CD1 4.18Å; F235-L248 HydrophobicContact CZ-CD1 3.8Å; F235-F305 HydrophobicContact CD1-CE1 4.43Å; F235-F305 HydrophobicContact CD1-CZ 4.34Å; F235-F305 HydrophobicContact CD2-CE1 4.2Å; F235-F305 AromaticContact CD2-CZ 3.87Å; F235-F305 HydrophobicContact CD2-CZ 3.87Å; F235-F305 AromaticContact CE1-CE1 3.78Å; F235-F305 HydrophobicContact CE1-CE1 3.78Å; F235-F305 HydrophobicContact CE1-CZ 4.14Å; F235-F305 HydrophobicContact CE2-CD1 4.21Å; F235-F305 AromaticContact CE2-CE1 3.51Å; F235-F305 HydrophobicContact CE2-CE1 3.51Å; F235-F305 HydrophobicContact CE2-CE2 4.46Å; F235-F305 AromaticContact CE2-CZ 3.66Å; F235-F305 HydrophobicContact CE2-CZ 3.66Å; F235-F305 HydrophobicContact CG-CZ 4.22Å; F235-F305 HydrophobicContact CZ-CD1 4.07Å; F235-F305 AromaticContact CZ-CE1 3.28Å; F235-F305 HydrophobicContact CZ-CE1 3.28Å; F235-F305 AromaticContact CZ-CZ 3.81Å; F235-F305 HydrophobicContact CZ-CZ 3.81Å
236E82.2Confident88.8Confident95 Ų9543.8 Ų43.844%0.44422%0.216SC..SBendtrans-65.3-45.5-178-63.9178146.400110.4N234 R241 K622N234-E236 VanDerWaalsContact C-N 3.34Å; N234-E236 PolarHBondContact ND2-OE2 3.48Å; N234-E236 VanDerWaalsContact OD1-CB 3.22Å; N234-E236 WeakPolarHBondContact OD1-CB 3.39Å; N234-E236 PolarHBondContact OD1-N 2.85Å; E236-R241 PolarHBondContact O-NH2 3.42Å; E236-K622 WeakPolarHBondContact OE1-CE 3.23Å; E236-K622 IonicContact OE1-NZ 2.61Å; E236-K622 PolarHBondContact OE1-NZ 2.95Å
237D88.6Confident88.7Confident13 Ų1344.7 Ų44.77%0.0722%0.22CC..SBendtrans-74.7130.7175.9-174-86.4000112.1P121 R125 T239 I240 R241P121-D237 HydrophobicContact CB-CB 4.15Å; R125-D237 IonicContact CZ-OD2 3.03Å; R125-D237 IonicContact NE-OD1 2.85Å; R125-D237 IonicContact NE-OD2 2.58Å; R125-D237 PolarHBondContact NE-OD2 3.42Å; R125-D237 IonicContact NH2-OD2 3.65Å; R125-D237 PolarHBondContact NH2-OD2 2.79Å; D237-T239 PolarHBondContact O-N 2.9Å; D237-T239 WeakPolarHBondContact OD1-CA 3.29Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.3Å; D237-T239 PolarHBondContact OD1-N 2.93Å; D237-I240 HydrophobicContact CB-CB 4.08Å; D237-I240 HydrophobicContact CB-CD1 3.79Å; D237-I240 HydrophobicContact CB-CG1 3.9Å; D237-I240 PolarHBondContact O-N 2.93Å; D237-I240 PolarHBondContact OD1-N 3.2Å; D237-I240 VanDerWaalsContact OD1-N 3.12Å; D237-R241 WeakPolarHBondContact O-CB 3.45Å; D237-R241 PolarHBondContact O-N 3.07Å
238E88.9Confident88.4Confident140 Ų14045 Ų4565%0.65422%0.222SC*.Hα-helixtrans-62-41-178-174-179.2-178.400113.4R241 N242E238-R241 PolarHBondContact O-N 2.87Å; E238-N242 WeakPolarHBondContact O-CB 3.39Å; E238-N242 PolarHBondContact O-N 2.65Å; E238-N242 PolarHBondContact O-ND2 2.81Å
239T90.8Very high88Confident51 Ų5149.7 Ų49.731%0.31325%0.245SC..Hα-helixtrans-66.3-47.4-179.2-580000110.1R125 K128 D237 N242 I243R125-T239 HydrophobicContact CG-CG2 4.22Å; K128-T239 HydrophobicContact CB-CG2 4.39Å; K128-T239 HydrophobicContact CG-CG2 4.3Å; D237-T239 PolarHBondContact O-N 2.9Å; D237-T239 WeakPolarHBondContact OD1-CA 3.29Å; D237-T239 VanDerWaalsContact OD1-CB 3.28Å; D237-T239 WeakPolarHBondContact OD1-CB 3.3Å; D237-T239 PolarHBondContact OD1-N 2.93Å; T239-N242 PolarHBondContact O-N 3.37Å; T239-I243 HydrophobicContact CG2-CD1 4.25Å; T239-I243 WeakPolarHBondContact O-CG1 3.4Å; T239-I243 PolarHBondContact O-N 3.04Å; T239-I243 VanDerWaalsContact O-N 3.11Å
240I91Very high87.9Confident2 Ų250.8 Ų50.81%0.0125%0.254CS..Hα-helixtrans-64.1-44.6178.5-56.6178000110.4P121 Y124 Y233 N234 D237 N242 I243 L244P121-I240 HydrophobicContact CB-CD1 4.05Å; Y124-I240 HydrophobicContact CD2-CD1 3.76Å; Y124-I240 HydrophobicContact CG-CD1 4.09Å; Y124-I240 HydrophobicContact CG-CG1 4.49Å; Y233-I240 HydrophobicContact CD2-CG2 4.49Å; N234-I240 WeakPolarHBondContact O-CG2 2.97Å; D237-I240 HydrophobicContact CB-CB 4.08Å; D237-I240 HydrophobicContact CB-CD1 3.79Å; D237-I240 HydrophobicContact CB-CG1 3.9Å; D237-I240 PolarHBondContact O-N 2.93Å; D237-I240 PolarHBondContact OD1-N 3.2Å; D237-I240 VanDerWaalsContact OD1-N 3.12Å; I240-N242 VanDerWaalsContact C-N 3.3Å; I240-N242 PolarHBondContact O-N 3.25Å; I240-I243 WeakPolarHBondContact O-CB 3.21Å; I240-I243 PolarHBondContact O-N 3.26Å; I240-I243 VanDerWaalsContact O-N 3.16Å; I240-L244 HydrophobicContact CG2-CD1 3.94Å; I240-L244 HydrophobicContact CG2-CG 4.22Å; I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 3.49Å
241R88.4Confident88Confident82 Ų8251.3 Ų51.331%0.30927%0.27SS..Hα-helixtrans-54.7-45.8176.2-174.6-168.1-44.7-171.19.4111.6F235 E236 D237 E238 L244 L245F235-R241 HydrophobicContact CB-CB 4.5Å; F235-R241 HydrophobicContact CB-CG 4.21Å; F235-R241 HydrophobicContact CD1-CB 4.37Å; F235-R241 HydrophobicContact CD1-CG 3.91Å; F235-R241 VanDerWaalsContact O-CZ 3.23Å; F235-R241 PolarHBondContact O-NE 3.08Å; F235-R241 PolarHBondContact O-NH2 3.06Å; F235-R241 VanDerWaalsContact O-NH2 3.16Å; E236-R241 PolarHBondContact O-NH2 3.42Å; D237-R241 WeakPolarHBondContact O-CB 3.45Å; D237-R241 PolarHBondContact O-N 3.07Å; E238-R241 PolarHBondContact O-N 2.87Å; R241-L244 PolarHBondContact O-N 3.18Å; R241-L245 HydrophobicContact CG-CD1 4Å; R241-L245 HydrophobicContact CG-CG 4.45Å; R241-L245 WeakPolarHBondContact O-CB 3.06Å; R241-L245 VanDerWaalsContact O-CG 3.25Å; R241-L245 WeakPolarHBondContact O-CG 3.02Å; R241-L245 PolarHBondContact O-N 2.92Å
242N90.3Very high88.3Confident89 Ų8949.8 Ų49.848%0.47625%0.254SS..Hα-helixtrans-65.2-41178.8-70.5-21.1000112.1E238 T239 I240 H246E238-N242 WeakPolarHBondContact O-CB 3.39Å; E238-N242 PolarHBondContact O-N 2.65Å; E238-N242 PolarHBondContact O-ND2 2.81Å; T239-N242 PolarHBondContact O-N 3.37Å; I240-N242 VanDerWaalsContact C-N 3.3Å; I240-N242 PolarHBondContact O-N 3.25Å; N242-H246 WeakPolarHBondContact O-CB 3.32Å; N242-H246 PolarHBondContact O-N 3.03Å
243I91.9Very high88.5Confident18 Ų1848.8 Ų48.89%0.09225%0.249CC..Hα-helixtrans-58.7-51.6173.5-66.7165000110.3K128 T239 I240 H246 Q247 P261 T262K128-I243 HydrophobicContact CB-CD1 3.93Å; K128-I243 HydrophobicContact CD-CD1 4.25Å; K128-I243 HydrophobicContact CD-CG1 4.4Å; K128-I243 HydrophobicContact CG-CD1 4.08Å; T239-I243 HydrophobicContact CG2-CD1 4.25Å; T239-I243 WeakPolarHBondContact O-CG1 3.4Å; T239-I243 PolarHBondContact O-N 3.04Å; T239-I243 VanDerWaalsContact O-N 3.11Å; I240-I243 WeakPolarHBondContact O-CB 3.21Å; I240-I243 PolarHBondContact O-N 3.26Å; I240-I243 VanDerWaalsContact O-N 3.16Å; I243-H246 PolarHBondContact O-N 3.43Å; I243-Q247 WeakPolarHBondContact O-CG 3.37Å; I243-Q247 PolarHBondContact O-N 3.3Å; I243-P261 HydrophobicContact CG2-CB 4.12Å; I243-P261 HydrophobicContact CG2-CG 4.45Å; I243-P261 WeakPolarHBondContact CG2-O 3.36Å; I243-T262 HydrophobicContact CD1-CG2 4.45Å; I243-T262 HydrophobicContact CG2-CG2 3.89Å
244L90Very high88.7Confident0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-62-48.1-178.4-68173.9000111.6Y233 F235 I240 R241 H246 Q247 L248 L256 P261Y233-L244 HydrophobicContact CD2-CD1 3.94Å; Y233-L244 HydrophobicContact CD2-CD2 3.81Å; Y233-L244 HydrophobicContact CD2-CG 4.37Å; Y233-L244 HydrophobicContact CE2-CD1 4.24Å; Y233-L244 HydrophobicContact CE2-CD2 3.4Å; Y233-L244 HydrophobicContact CE2-CG 4.39Å; F235-L244 HydrophobicContact CD1-CB 4.18Å; F235-L244 HydrophobicContact CD1-CD1 3.89Å; F235-L244 HydrophobicContact CD2-CD1 4.45Å; F235-L244 HydrophobicContact CE1-CB 3.53Å; F235-L244 HydrophobicContact CE1-CD1 3.75Å; F235-L244 HydrophobicContact CE1-CG 4.3Å; F235-L244 HydrophobicContact CE2-CD1 4.31Å; F235-L244 HydrophobicContact CG-CD1 4.26Å; F235-L244 HydrophobicContact CZ-CB 4.11Å; F235-L244 HydrophobicContact CZ-CD1 3.96Å; I240-L244 HydrophobicContact CG2-CD1 3.94Å; I240-L244 HydrophobicContact CG2-CG 4.22Å; I240-L244 WeakPolarHBondContact O-CG 3.42Å; I240-L244 PolarHBondContact O-N 3.49Å; R241-L244 PolarHBondContact O-N 3.18Å; L244-H246 VanDerWaalsContact C-N 3.27Å; L244-H246 PolarHBondContact O-N 3.43Å; L244-Q247 PolarHBondContact O-N 2.95Å; L244-L248 HydrophobicContact CB-CD1 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.49Å; L244-L248 PolarHBondContact O-N 2.9Å; L244-L256 HydrophobicContact CD2-CD1 4.07Å; L244-P261 HydrophobicContact CD2-CB 3.76Å; L244-P261 HydrophobicContact CG-CB 4.42Å
245L87.4Confident89.3Confident21 Ų2146.4 Ų46.411%0.1124%0.237CC..Hα-helixtrans-60.2-39.3179.6-71.6175.4000111.8F235 R241 Q249 P631F235-L245 HydrophobicContact CE1-CD2 4.3Å; F235-L245 HydrophobicContact CE1-CG 4.45Å; R241-L245 HydrophobicContact CG-CD1 4Å; R241-L245 HydrophobicContact CG-CG 4.45Å; R241-L245 WeakPolarHBondContact O-CB 3.06Å; R241-L245 VanDerWaalsContact O-CG 3.25Å; R241-L245 WeakPolarHBondContact O-CG 3.02Å; R241-L245 PolarHBondContact O-N 2.92Å; L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 WeakPolarHBondContact O-CG 3.48Å; L245-Q249 PolarHBondContact O-N 3.26Å; L245-P631 HydrophobicContact CD2-CG 4.37Å
246H89.4Confident89.9Confident125 Ų12546 Ų4658%0.57924%0.235SC*.Hα-helixtrans-62.8-47.7174.9-178.473.4000111.9N242 I243 L244 Q249 S250N242-H246 WeakPolarHBondContact O-CB 3.32Å; N242-H246 PolarHBondContact O-N 3.03Å; I243-H246 PolarHBondContact O-N 3.43Å; L244-H246 VanDerWaalsContact C-N 3.27Å; L244-H246 PolarHBondContact O-N 3.43Å; H246-Q249 PolarHBondContact O-N 2.92Å; H246-S250 PolarHBondContact O-N 3.41Å; H246-S250 PolarHBondContact O-OG 3.23Å
247Q90.4Very high90.5Very high19 Ų1941.5 Ų41.59%0.08921%0.214CC..Hα-helixtrans-63.2-44178.4-72.9-63.3-21.700112.6I243 L244 Q249 S250 L256 T262I243-Q247 WeakPolarHBondContact O-CG 3.37Å; I243-Q247 PolarHBondContact O-N 3.3Å; L244-Q247 PolarHBondContact O-N 2.95Å; Q247-Q249 PolarHBondContact O-N 3.42Å; Q247-S250 WeakPolarHBondContact O-CB 3.44Å; Q247-S250 PolarHBondContact O-N 2.91Å; Q247-S250 PolarHBondContact O-OG 3.26Å; Q247-L256 HydrophobicContact CB-CD1 3.82Å; Q247-L256 HydrophobicContact CB-CD2 3.8Å; Q247-L256 HydrophobicContact CB-CG 4.43Å; Q247-L256 HydrophobicContact CG-CD2 4.07Å; Q247-T262 PolarHBondContact NE2-O 3.26Å; Q247-T262 VanDerWaalsContact NE2-O 3.15Å
248L86.9Confident90.8Very high6 Ų640.9 Ų40.93%0.03121%0.211CC..Hα-helixtrans-67.8-20.5-179.4-64.4170.8000112.8C226 Y228 F235 L244 R252 L256 T306C226-L248 VanDerWaalsContact SG-CD2 3.58Å; Y228-L248 HydrophobicContact CD1-CD2 3.6Å; Y228-L248 HydrophobicContact CE1-CD1 4.49Å; Y228-L248 HydrophobicContact CE1-CD2 4.22Å; Y228-L248 HydrophobicContact CG-CD2 3.99Å; F235-L248 HydrophobicContact CE1-CD1 4.18Å; F235-L248 HydrophobicContact CZ-CD1 3.8Å; L244-L248 HydrophobicContact CB-CD1 4.49Å; L244-L248 WeakPolarHBondContact O-CB 3.3Å; L244-L248 WeakPolarHBondContact O-CG 3.49Å; L244-L248 PolarHBondContact O-N 2.9Å; L248-R252 PolarHBondContact O-NH1 3.08Å; L248-R252 PolarHBondContact O-NH2 3.15Å; L248-L256 HydrophobicContact CD2-CD1 4.18Å; L248-T306 HydrophobicContact CB-CG2 4.48Å; L248-T306 HydrophobicContact CD1-CG2 4.17Å; L248-T306 HydrophobicContact CD2-CG2 3.93Å; L248-T306 HydrophobicContact CG-CG2 4.41Å
249Q84.3Confident91Very high123 Ų12334.2 Ų34.258%0.57518%0.179SC*.THydrogen-bonded Turntrans-86.8-6173-70.5170.216.700113.5L245 H246 Q247L245-Q249 WeakPolarHBondContact O-CB 3.28Å; L245-Q249 WeakPolarHBondContact O-CG 3.48Å; L245-Q249 PolarHBondContact O-N 3.26Å; H246-Q249 PolarHBondContact O-N 2.92Å; Q247-Q249 PolarHBondContact O-N 3.42Å
250S87.9Confident91.2Very high37 Ų3731.8 Ų31.826%0.25917%0.165SC..SBendtrans-67.4162.4-179.2-65.60000113.1H246 Q247 R252H246-S250 PolarHBondContact O-N 3.41Å; H246-S250 PolarHBondContact O-OG 3.23Å; Q247-S250 WeakPolarHBondContact O-CB 3.44Å; Q247-S250 PolarHBondContact O-N 2.91Å; Q247-S250 PolarHBondContact O-OG 3.26Å; S250-R252 PolarHBondContact O-N 3.02Å; S250-R252 PolarHBondContact O-NH1 3.21Å
251A89.3Confident91.3Very high81 Ų8131.7 Ų31.767%0.66916%0.164SC*.SBendtrans-56.9135.9177.400000111.2
252R90.8Very high91.5Very high61 Ų6128.1 Ų28.123%0.2315%0.151CC..SBendtrans-72.3146.6179.6-58.6-70.8-179.4-99.811.7110.7E223 L225 L248 S250E223-R252 VanDerWaalsContact O-CB 3.25Å; E223-R252 WeakPolarHBondContact O-CB 3.25Å; E223-R252 VanDerWaalsContact O-CG 3.32Å; E223-R252 WeakPolarHBondContact O-CG 3.29Å; L225-R252 WeakPolarHBondContact O-CD 3.27Å; L248-R252 PolarHBondContact O-NH1 3.08Å; L248-R252 PolarHBondContact O-NH2 3.15Å; S250-R252 PolarHBondContact O-N 3.02Å; S250-R252 PolarHBondContact O-NH1 3.21Å
253P94.1Very high91.7Very high4 Ų425.2 Ų25.23%0.02614%0.136CC..PPolyproline II helixcis-81150.41.431-31.4000113.2L225 S266 W272L225-P253 HydrophobicContact CB-CB 3.79Å; L225-P253 HydrophobicContact CD1-CB 4.41Å; L225-P253 WeakPolarHBondContact O-CA 3.41Å; P253-S266 VanDerWaalsContact O-CB 3.29Å; P253-S266 WeakPolarHBondContact O-CB 3.41Å; P253-S266 PolarHBondContact O-OG 3.05Å; P253-W272 HydrophobicContact CG-CB 4.25Å; P253-W272 HydrophobicContact CG-CD2 3.74Å; P253-W272 HydrophobicContact CG-CG 3.55Å
254V94.1Very high91.9Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-118.1125.5172175.20000108.5L225 C226 I227 L256L225-V254 PolarHBondContact O-N 3.25Å; C226-V254 CarbonylContact C-O 3.56Å; C226-V254 VanDerWaalsContact CA-O 3.32Å; C226-V254 WeakPolarHBondContact CA-O 3.41Å; I227-V254 PolarHBondContact N-O 2.79Å; V254-L256 HydrophobicContact CG1-CD2 3.85Å; V254-L256 HydrophobicContact CG1-CG 3.92Å
255I95.6Very high92Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-134.4100.9171.6-55-178.5000106.5L191 L192 I227 W229 N264 V265 W272L191-I255 HydrophobicContact CB-CG2 3.91Å; L191-I255 HydrophobicContact CD1-CG2 4.13Å; L192-I255 HydrophobicContact CB-CD1 4.31Å; I227-I255 HydrophobicContact CB-CG1 4.37Å; I227-I255 HydrophobicContact CB-CG2 4.34Å; I227-I255 HydrophobicContact CD1-CD1 4.41Å; I227-I255 HydrophobicContact CD1-CG1 4.23Å; I227-I255 HydrophobicContact CG2-CG2 4.47Å; W229-I255 HydrophobicContact CZ3-CG2 4.39Å; I255-N264 PolarHBondContact N-OD1 3.32Å; I255-N264 CarbonylContact O-C 3.44Å; I255-N264 PolarHBondContact O-OD1 3.04Å; I255-V265 HydrophobicContact CB-CG2 4.07Å; I255-V265 HydrophobicContact CG2-CG2 3.84Å; I255-V265 WeakPolarHBondContact O-CG2 3.33Å; I255-V265 PolarHBondContact O-N 3.41Å; I255-W272 HydrophobicContact CD1-CH2 3.76Å; I255-W272 HydrophobicContact CD1-CZ2 3.8Å
256L95.4Very high92.2Very high0 Ų026.1 Ų26.10%014%0.142CC..EExtended strand (participates in β ladder)trans-81.6136.4-178.9-60.4-175.8000111.4I227 W229 L244 Q247 L248 V254 N263 N264I227-L256 PolarHBondContact O-N 2.65Å; W229-L256 VanDerWaalsContact CE3-O 3.31Å; W229-L256 WeakPolarHBondContact CZ3-O 3.46Å; L244-L256 HydrophobicContact CD2-CD1 4.07Å; Q247-L256 HydrophobicContact CB-CD1 3.82Å; Q247-L256 HydrophobicContact CB-CD2 3.8Å; Q247-L256 HydrophobicContact CB-CG 4.43Å; Q247-L256 HydrophobicContact CG-CD2 4.07Å; L248-L256 HydrophobicContact CD2-CD1 4.18Å; V254-L256 HydrophobicContact CG1-CD2 3.85Å; V254-L256 HydrophobicContact CG1-CG 3.92Å; L256-N263 WeakPolarHBondContact CA-O 3.49Å; L256-N264 HydrophobicContact CD2-CB 3.86Å
257D95.2Very high92Very high0 Ų022.7 Ų22.70%014%0.14CC..EExtended strand (participates in β ladder)trans-60.4123.4174.4-168.9-15.3000109.6Q149 Y187 Y233 V259 D260 N263 V265Q149-D257 PolarHBondContact NE2-OD2 3.34Å; Y187-D257 PolarHBondContact OH-OD1 3.45Å; Y233-D257 WeakPolarHBondContact CE1-O 3.32Å; Y233-D257 PolarHBondContact OH-O 3.31Å; D257-V259 PolarHBondContact O-N 3.38Å; D257-V259 WeakPolarHBondContact OD1-CG2 3.4Å; D257-V259 PolarHBondContact OD1-N 3.3Å; D257-D260 HydrophobicContact CB-CB 4.27Å; D257-D260 CarbonylContact O-C 3.59Å; D257-D260 PolarHBondContact O-N 3.3Å; D257-N263 HydrophobicContact CB-CB 3.81Å; D257-N263 PolarHBondContact N-O 2.84Å; D257-N263 PolarHBondContact OD2-ND2 3.07Å; D257-V265 HydrophobicContact CB-CG1 4.09Å
258P94.3Very high91.6Very high0 Ų025.2 Ų25.20%015%0.154CC..THydrogen-bonded Turntrans-58.8-10.6-178.223.2-36.6000114.9F152 L191 W229 N232F152-P258 HydrophobicContact CD1-CB 4.48Å; F152-P258 HydrophobicContact CD1-CG 3.79Å; F152-P258 HydrophobicContact CD2-CB 3.68Å; F152-P258 HydrophobicContact CD2-CG 3.88Å; F152-P258 HydrophobicContact CE1-CB 4.39Å; F152-P258 HydrophobicContact CE1-CG 3.82Å; F152-P258 HydrophobicContact CE2-CB 3.57Å; F152-P258 HydrophobicContact CE2-CG 3.9Å; F152-P258 HydrophobicContact CG-CB 4.16Å; F152-P258 HydrophobicContact CG-CG 3.83Å; F152-P258 HydrophobicContact CZ-CB 3.95Å; F152-P258 HydrophobicContact CZ-CG 3.87Å; L191-P258 HydrophobicContact CD2-CG 3.91Å; W229-P258 HydrophobicContact CB-CB 3.94Å; W229-P258 HydrophobicContact CD2-CB 4.03Å; W229-P258 HydrophobicContact CE3-CB 3.97Å; W229-P258 HydrophobicContact CE3-CG 4.36Å; W229-P258 HydrophobicContact CG-CB 4.02Å; N232-P258 PolarHBondContact ND2-O 3.03Å
259V93.6Very high91.5Very high0 Ų030 Ų300%017%0.174CC..THydrogen-bonded Turntrans-115.9-17.9-178.6-47.40000114.3Y124 F145 L148 Q149 D257Y124-V259 VanDerWaalsContact CE1-O 3.29Å; Y124-V259 WeakPolarHBondContact CE1-O 3.43Å; Y124-V259 PolarHBondContact OH-O 3.21Å; Y124-V259 VanDerWaalsContact OH-O 3.08Å; F145-V259 HydrophobicContact CB-CB 4.11Å; F145-V259 HydrophobicContact CB-CG2 3.49Å; F145-V259 VanDerWaalsContact CB-CG2 3.49Å; F145-V259 HydrophobicContact CG-CG2 4.27Å; L148-V259 HydrophobicContact CB-CB 3.83Å; L148-V259 HydrophobicContact CB-CG1 3.42Å; L148-V259 VanDerWaalsContact CB-CG1 3.42Å; L148-V259 HydrophobicContact CD1-CB 4.2Å; L148-V259 HydrophobicContact CD1-CG1 4.49Å; Q149-V259 HydrophobicContact CG-CB 4.43Å; Q149-V259 HydrophobicContact CG-CG1 4.11Å; Q149-V259 HydrophobicContact CG-CG2 3.43Å; Q149-V259 VanDerWaalsContact CG-CG2 3.43Å; D257-V259 PolarHBondContact O-N 3.38Å; D257-V259 WeakPolarHBondContact OD1-CG2 3.4Å; D257-V259 PolarHBondContact OD1-N 3.3Å
260D94.3Very high91.7Very high0 Ų028.4 Ų28.40%017%0.169CC..EExtended strand (participates in β ladder)trans-129.4102.9-179.9-178.7-14.7000109.2F145 D257 T262 N263F145-D260 HydrophobicContact CD2-CB 4.22Å; F145-D260 HydrophobicContact CE2-CB 4.46Å; D257-D260 HydrophobicContact CB-CB 4.27Å; D257-D260 CarbonylContact O-C 3.59Å; D257-D260 PolarHBondContact O-N 3.3Å; D260-T262 PolarHBondContact O-N 3.47Å; D260-T262 WeakPolarHBondContact OD1-CA 3.35Å; D260-T262 WeakPolarHBondContact OD1-CB 3.44Å; D260-T262 PolarHBondContact OD1-N 2.84Å; D260-T262 PolarHBondContact OD1-OG1 3.36Å; D260-T262 PolarHBondContact OD2-OG1 2.94Å; D260-N263 HydrophobicContact CB-CB 3.89Å; D260-N263 PolarHBondContact O-N 3.42Å; D260-N263 VanDerWaalsContact O-N 3.08Å; D260-N263 PolarHBondContact OD1-N 2.86Å
261P93.1Very high91.6Very high0 Ų026.9 Ų26.90%016%0.158CC..EExtended strand (participates in β ladder)trans-67.6-9-175.429.4-35000113.4Y124 Y233 I243 L244Y124-P261 VanDerWaalsContact CD1-CD 3.5Å; Y124-P261 HydrophobicContact CD1-CG 3.75Å; Y124-P261 VanDerWaalsContact CE1-CD 3.47Å; Y124-P261 HydrophobicContact CE1-CG 4.16Å; Y124-P261 HydrophobicContact CG-CG 4.39Å; Y233-P261 HydrophobicContact CD1-CB 3.84Å; Y233-P261 HydrophobicContact CD1-CG 4.02Å; Y233-P261 HydrophobicContact CD2-CB 3.98Å; Y233-P261 HydrophobicContact CE1-CB 3.82Å; Y233-P261 HydrophobicContact CE1-CG 4.35Å; Y233-P261 HydrophobicContact CE2-CB 3.99Å; Y233-P261 HydrophobicContact CG-CB 3.91Å; Y233-P261 HydrophobicContact CG-CG 4.22Å; I243-P261 HydrophobicContact CG2-CB 4.12Å; I243-P261 HydrophobicContact CG2-CG 4.45Å; I243-P261 WeakPolarHBondContact CG2-O 3.36Å; L244-P261 HydrophobicContact CD2-CB 3.76Å; L244-P261 HydrophobicContact CG-CB 4.42Å
262T94.4Very high91.7Very high7 Ų723 Ų234%0.04313%0.126CC..EExtended strand (participates in β ladder)trans-91.1-22.2177.175.60000112.2L127 L131 P138 G139 I243 Q247 D260 N264L127-T262 HydrophobicContact CD2-CG2 4.23Å; L131-T262 HydrophobicContact CD1-CG2 3.75Å; P138-T262 WeakPolarHBondContact CB-O 3.41Å; G139-T262 PolarHBondContact N-OG1 2.86Å; I243-T262 HydrophobicContact CD1-CG2 4.45Å; I243-T262 HydrophobicContact CG2-CG2 3.89Å; Q247-T262 PolarHBondContact NE2-O 3.26Å; Q247-T262 VanDerWaalsContact NE2-O 3.15Å; D260-T262 PolarHBondContact O-N 3.47Å; D260-T262 WeakPolarHBondContact OD1-CA 3.35Å; D260-T262 WeakPolarHBondContact OD1-CB 3.44Å; D260-T262 PolarHBondContact OD1-N 2.84Å; D260-T262 PolarHBondContact OD1-OG1 3.36Å; D260-T262 PolarHBondContact OD2-OG1 2.94Å; T262-N264 PolarHBondContact O-N 3.23Å
263N94.4Very high91.7Very high27 Ų2724.5 Ų24.514%0.14414%0.136CC..EExtended strand (participates in β ladder)trans-8998.8-170.3-171.415000111.7L256 D257 D260 V265L256-N263 WeakPolarHBondContact CA-O 3.49Å; D257-N263 HydrophobicContact CB-CB 3.81Å; D257-N263 PolarHBondContact N-O 2.84Å; D257-N263 PolarHBondContact OD2-ND2 3.07Å; D260-N263 HydrophobicContact CB-CB 3.89Å; D260-N263 PolarHBondContact O-N 3.42Å; D260-N263 VanDerWaalsContact O-N 3.08Å; D260-N263 PolarHBondContact OD1-N 2.86Å; N263-V265 PolarHBondContact O-N 2.94Å
264N94.2Very high91.5Very high43 Ų4326.3 Ų26.323%0.2314%0.142CC..EExtended strand (participates in β ladder)trans-84.1102.6166.9-178.914.4000110.1I255 L256 T262 S266I255-N264 PolarHBondContact N-OD1 3.32Å; I255-N264 CarbonylContact O-C 3.44Å; I255-N264 PolarHBondContact O-OD1 3.04Å; L256-N264 HydrophobicContact CD2-CB 3.86Å; T262-N264 PolarHBondContact O-N 3.23Å; N264-S266 PolarHBondContact ND2-OG 2.92Å; N264-S266 PolarHBondContact O-N 3.45Å; N264-S266 WeakPolarHBondContact OD1-CB 3.32Å; N264-S266 PolarHBondContact OD1-N 3.37Å; N264-S266 PolarHBondContact OD1-OG 3.23Å
265V93.8Very high91.4Very high13 Ų1326.3 Ų26.38%0.07914%0.142CC..THydrogen-bonded Turntrans-81-1.8-174.3-54.30000113.5Y187 A188 L191 I255 D257 N263 G267Y187-V265 HydrophobicContact CD1-CB 4.27Å; Y187-V265 HydrophobicContact CD1-CG1 3.81Å; Y187-V265 HydrophobicContact CD1-CG2 4.43Å; Y187-V265 HydrophobicContact CE1-CG1 3.92Å; A188-V265 HydrophobicContact CB-CG2 4.09Å; A188-V265 WeakPolarHBondContact CB-O 3.37Å; L191-V265 HydrophobicContact CD1-CG2 3.74Å; I255-V265 HydrophobicContact CB-CG2 4.07Å; I255-V265 HydrophobicContact CG2-CG2 3.84Å; I255-V265 WeakPolarHBondContact O-CG2 3.33Å; I255-V265 PolarHBondContact O-N 3.41Å; D257-V265 HydrophobicContact CB-CG1 4.09Å; N263-V265 PolarHBondContact O-N 2.94Å; V265-G267 PolarHBondContact O-N 3.31Å
266S90.6Very high91.2Very high3 Ų329.4 Ų29.42%0.02116%0.156CC..THydrogen-bonded Turntrans-61.8-26-177.370.70000112.8L184 P253 N264 W272L184-S266 WeakPolarHBondContact CD1-O 3.38Å; P253-S266 VanDerWaalsContact O-CB 3.29Å; P253-S266 WeakPolarHBondContact O-CB 3.41Å; P253-S266 PolarHBondContact O-OG 3.05Å; N264-S266 PolarHBondContact ND2-OG 2.92Å; N264-S266 PolarHBondContact O-N 3.45Å; N264-S266 WeakPolarHBondContact OD1-CB 3.32Å; N264-S266 PolarHBondContact OD1-N 3.37Å; N264-S266 PolarHBondContact OD1-OG 3.23Å; S266-W272 PolarHBondContact O-NE1 2.7Å
267G84.9Confident91Very high52 Ų5236.4 Ų36.454%0.53619%0.186SC..  trans66.2-151.2177.200000113.6V265V265-G267 PolarHBondContact O-N 3.31Å
268D82.3Confident90.9Very high73 Ų7337.6 Ų37.639%0.3919%0.192SC..  trans-74.3130.8-170-167-35.4000113.3I270 C271D268-I270 VanDerWaalsContact C-N 3.25Å; D268-I270 PolarHBondContact O-N 3.08Å; D268-I270 WeakPolarHBondContact OD1-CG1 3.39Å; D268-I270 PolarHBondContact OD1-N 3.49Å; D268-C271 WeakPolarHBondContact O-CB 3.39Å; D268-C271 PolarHBondContact O-N 3.38Å
269K85.6Confident90.8Very high105 Ų10537.6 Ų37.646%0.45719%0.192SC..Hα-helixtrans-56.3-32.6176.4-171.9177.4-177.8-179.80113.7C271 W272 Q273K269-C271 VanDerWaalsContact C-N 3.28Å; K269-C271 PolarHBondContact O-N 3.26Å; K269-W272 PolarHBondContact O-N 3.2Å; K269-Q273 PolarHBondContact O-N 3.48Å; K269-Q273 VanDerWaalsContact O-N 3.08Å
270I87.2Confident90.6Very high90 Ų9040.9 Ų40.946%0.46221%0.207SC..Hα-helixtrans-62.9-39.5-179.7-58.6172.1000110.2L181 D268 W272 Q273 W274L181-I270 HydrophobicContact CD1-CG2 3.75Å; L181-I270 HydrophobicContact CD2-CG2 4.47Å; D268-I270 VanDerWaalsContact C-N 3.25Å; D268-I270 PolarHBondContact O-N 3.08Å; D268-I270 WeakPolarHBondContact OD1-CG1 3.39Å; D268-I270 PolarHBondContact OD1-N 3.49Å; I270-W272 VanDerWaalsContact C-N 3.33Å; I270-W272 PolarHBondContact O-N 3.22Å; I270-Q273 PolarHBondContact O-N 3.47Å; I270-W274 PolarHBondContact O-N 3.08Å
271C87.2Confident90.4Very high5 Ų545 Ų453%0.03423%0.232CC..Hα-helixtrans-60.7-43.8177.6-57.90000111.2P182 L184 D268 K269 W274 L275P182-C271 PolarHBondContact O-SG 2.81Å; L184-C271 HydrophobicContact CB-CB 4.31Å; D268-C271 WeakPolarHBondContact O-CB 3.39Å; D268-C271 PolarHBondContact O-N 3.38Å; K269-C271 VanDerWaalsContact C-N 3.28Å; K269-C271 PolarHBondContact O-N 3.26Å; C271-W274 PolarHBondContact O-N 2.96Å; C271-L275 WeakPolarHBondContact O-CG 3.36Å; C271-L275 PolarHBondContact O-N 3.39Å
272W91.3Very high90.1Very high0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-68.3-37.3179.2-72.296.1000113.8L184 A188 L189 L192 I219 Q222 L225 P253 I255 S266 K269 I270 W274 L275 K276L184-W272 HydrophobicContact CD1-CZ2 4.08Å; L184-W272 HydrophobicContact CD2-CH2 4.2Å; L184-W272 HydrophobicContact CD2-CZ2 3.75Å; A188-W272 HydrophobicContact CB-CZ2 4.41Å; L189-W272 HydrophobicContact CD2-CH2 4.31Å; L192-W272 HydrophobicContact CD2-CH2 3.96Å; L192-W272 HydrophobicContact CD2-CZ3 3.97Å; I219-W272 HydrophobicContact CG1-CZ3 4.04Å; I219-W272 HydrophobicContact CG2-CE3 4.49Å; Q222-W272 HydrophobicContact CB-CB 4.07Å; Q222-W272 HydrophobicContact CB-CD2 4.44Å; Q222-W272 HydrophobicContact CB-CE3 3.97Å; Q222-W272 HydrophobicContact CG-CB 3.98Å; L225-W272 HydrophobicContact CD1-CE3 4.36Å; L225-W272 HydrophobicContact CD1-CH2 4.39Å; L225-W272 HydrophobicContact CD1-CZ3 3.88Å; P253-W272 HydrophobicContact CG-CB 4.25Å; P253-W272 HydrophobicContact CG-CD2 3.74Å; P253-W272 HydrophobicContact CG-CG 3.55Å; I255-W272 HydrophobicContact CD1-CH2 3.76Å; I255-W272 HydrophobicContact CD1-CZ2 3.8Å; S266-W272 PolarHBondContact O-NE1 2.7Å; K269-W272 PolarHBondContact O-N 3.2Å; I270-W272 VanDerWaalsContact C-N 3.33Å; I270-W272 PolarHBondContact O-N 3.22Å; W272-W274 PolarHBondContact O-N 2.97Å; W272-L275 PolarHBondContact O-N 2.68Å; W272-K276 VanDerWaalsContact O-CB 3.32Å; W272-K276 WeakPolarHBondContact O-CB 3.4Å; W272-K276 PolarHBondContact O-N 2.9Å
273Q90.6Very high89.8Confident92 Ų9249.4 Ų49.443%0.4325%0.25SC..Hα-helixtrans-61.2-36.8174.4-73.8-178.8-1800111.7K269 I270K269-Q273 PolarHBondContact O-N 3.48Å; K269-Q273 VanDerWaalsContact O-N 3.08Å; I270-Q273 PolarHBondContact O-N 3.47Å
274W89.2Confident89.2Confident42 Ų4252 Ų5216%0.15927%0.267CS..Hα-helixtrans-73-46.9176.3-179.678000112C174 I178 L181 I270 C271 W272 K276 K277 E278C174-W274 HydrophobicContact CB-CH2 3.32Å; C174-W274 HydrophobicContact CB-CZ2 4.49Å; C174-W274 HydrophobicContact CB-CZ3 3.64Å; C174-W274 WeakPolarHBondContact O-CH2 3.38Å; I178-W274 HydrophobicContact CD1-CD2 4.16Å; I178-W274 HydrophobicContact CD1-CG 4.15Å; I178-W274 HydrophobicContact CD1-CZ2 4.04Å; I178-W274 HydrophobicContact CG1-CZ2 4.29Å; L181-W274 HydrophobicContact CD2-CB 4.25Å; I270-W274 PolarHBondContact O-N 3.08Å; C271-W274 PolarHBondContact O-N 2.96Å; W272-W274 PolarHBondContact O-N 2.97Å; W274-K276 PolarHBondContact O-N 3.45Å; W274-K277 WeakPolarHBondContact O-CB 3.35Å; W274-K277 PolarHBondContact O-N 3.36Å; W274-E278 HydrophobicContact CD2-CG 4.29Å; W274-E278 HydrophobicContact CE3-CG 4.45Å; W274-E278 HydrophobicContact CH2-CG 3.55Å; W274-E278 HydrophobicContact CZ2-CG 3.36Å; W274-E278 HydrophobicContact CZ3-CG 4.12Å; W274-E278 PolarHBondContact O-N 3.21Å
275L91.5Very high88.5Confident1 Ų151.5 Ų51.51%0.00527%0.266CS..Hα-helixtrans-58.6-34.4175.3-70.5174000112.6W170 L184 I219 C271 W272 K277 E278 A279W170-L275 HydrophobicContact CH2-CD2 3.96Å; W170-L275 HydrophobicContact CZ3-CD2 4.17Å; L184-L275 HydrophobicContact CD2-CD1 3.47Å; L184-L275 VanDerWaalsContact CD2-CD1 3.47Å; I219-L275 HydrophobicContact CG2-CB 3.71Å; C271-L275 WeakPolarHBondContact O-CG 3.36Å; C271-L275 PolarHBondContact O-N 3.39Å; W272-L275 PolarHBondContact O-N 2.68Å; L275-K277 VanDerWaalsContact C-N 3.29Å; L275-K277 PolarHBondContact O-N 3.17Å; L275-E278 PolarHBondContact O-N 2.78Å; L275-A279 WeakPolarHBondContact O-CB 3.35Å; L275-A279 PolarHBondContact O-N 3.36Å
276K93Very high87.2Confident65 Ų6555.1 Ų55.128%0.28329%0.29SS..Hα-helixtrans-57-39.9171.9167.2174179177.70112.3K220 Q222 E223 W272 W274 Q280K220-K276 WeakPolarHBondContact O-CD 3.17Å; K220-K276 WeakPolarHBondContact O-CE 3.42Å; Q222-K276 HydrophobicContact CG-CB 4.46Å; Q222-K276 HydrophobicContact CG-CD 4.35Å; E223-K276 IonicContact OE1-NZ 3.26Å; E223-K276 PolarHBondContact OE1-NZ 3.01Å; E223-K276 IonicContact OE2-NZ 2.64Å; W272-K276 VanDerWaalsContact O-CB 3.32Å; W272-K276 WeakPolarHBondContact O-CB 3.4Å; W272-K276 PolarHBondContact O-N 2.9Å; W274-K276 PolarHBondContact O-N 3.45Å; K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 2.93Å; K276-Q280 VanDerWaalsContact O-N 3.1Å
277K91.4Very high86Confident147 Ų14761.5 Ų61.564%0.63932%0.324SS*.Hα-helixtrans-68.9-47.8177.6-65.7178.4-179.21790111W274 L275 A279 Q280 T281W274-K277 WeakPolarHBondContact O-CB 3.35Å; W274-K277 PolarHBondContact O-N 3.36Å; L275-K277 VanDerWaalsContact C-N 3.29Å; L275-K277 PolarHBondContact O-N 3.17Å; K277-A279 PolarHBondContact O-N 3.15Å; K277-Q280 WeakPolarHBondContact O-CB 3.37Å; K277-Q280 PolarHBondContact O-N 3.12Å; K277-T281 PolarHBondContact O-N 3.34Å; K277-T281 PolarHBondContact O-OG1 2.95Å
278E91.7Very high85Confident24 Ų2460.1 Ų60.111%0.11230%0.304CS..Hα-helixtrans-62.9-43.1177.9-70.9-68.8140.800112.1W170 K177 W274 L275 Q280 T281 W282W170-E278 HydrophobicContact CZ2-CB 4.02Å; K177-E278 IonicContact NZ-OE1 2.67Å; K177-E278 IonicContact NZ-OE2 2.7Å; K177-E278 PolarHBondContact NZ-OE2 3.09Å; W274-E278 HydrophobicContact CD2-CG 4.29Å; W274-E278 HydrophobicContact CE3-CG 4.45Å; W274-E278 HydrophobicContact CH2-CG 3.55Å; W274-E278 HydrophobicContact CZ2-CG 3.36Å; W274-E278 HydrophobicContact CZ3-CG 4.12Å; W274-E278 PolarHBondContact O-N 3.21Å; L275-E278 PolarHBondContact O-N 2.78Å; E278-Q280 VanDerWaalsContact C-N 3.29Å; E278-Q280 PolarHBondContact O-N 2.96Å; E278-T281 PolarHBondContact O-N 3.29Å; E278-W282 VanDerWaalsContact O-CD1 3.27Å; E278-W282 PolarHBondContact O-N 3.44Å
279A92.1Very high83.7Confident0 Ų058.7 Ų58.70%030%0.297CS..Hα-helixtrans-59.1-42.617600000111.1W170 L216 I219 L275 K277 W282 L283W170-A279 HydrophobicContact CH2-CB 4.31Å; W170-A279 HydrophobicContact CZ2-CB 4.25Å; L216-A279 HydrophobicContact CB-CB 4.13Å; L216-A279 HydrophobicContact CD2-CB 3.98Å; I219-A279 HydrophobicContact CB-CB 4.25Å; I219-A279 HydrophobicContact CG2-CB 3.97Å; L275-A279 WeakPolarHBondContact O-CB 3.35Å; L275-A279 PolarHBondContact O-N 3.36Å; K277-A279 PolarHBondContact O-N 3.15Å; A279-W282 PolarHBondContact O-N 3.13Å; A279-L283 WeakPolarHBondContact O-CB 2.85Å; A279-L283 VanDerWaalsContact O-CG 3.24Å; A279-L283 WeakPolarHBondContact O-CG 3.32Å; A279-L283 PolarHBondContact O-N 2.89Å
280Q90.7Very high82.2Confident70 Ų7060.3 Ų60.333%0.32731%0.31SS..Hα-helixtrans-61.5-44.3175.3179.860.553.600112K220 K276 K277 E278 L283 T284K220-Q280 VanDerWaalsContact CD-OE1 3.28Å; K276-Q280 WeakPolarHBondContact O-CB 3.35Å; K276-Q280 PolarHBondContact O-N 2.93Å; K276-Q280 VanDerWaalsContact O-N 3.1Å; K277-Q280 WeakPolarHBondContact O-CB 3.37Å; K277-Q280 PolarHBondContact O-N 3.12Å; E278-Q280 VanDerWaalsContact C-N 3.29Å; E278-Q280 PolarHBondContact O-N 2.96Å; Q280-L283 PolarHBondContact O-N 2.95Å; Q280-T284 VanDerWaalsContact NE2-CG2 3.3Å; Q280-T284 PolarHBondContact O-N 2.79Å; Q280-T284 PolarHBondContact O-OG1 3.35Å
281T89Confident80.6Confident85 Ų8563.6 Ų63.652%0.52132%0.324SS..Hα-helixtrans-61.8-43.7177.6-58.60000111.9K277 E278 T284 S285K277-T281 PolarHBondContact O-N 3.34Å; K277-T281 PolarHBondContact O-OG1 2.95Å; E278-T281 PolarHBondContact O-N 3.29Å; T281-T284 PolarHBondContact O-N 3.49Å; T281-T284 PolarHBondContact O-OG1 3.22Å; T281-S285 PolarHBondContact O-N 3.2Å
282W88.1Confident79Confident77 Ų7769.9 Ų69.929%0.29236%0.356SS..Hα-helixtrans-68.6-40.3179.1-86.576.8000112.7W170 L216 E278 A279 T284 S285 L288W170-W282 AromaticContact CD1-CD2 3.62Å; W170-W282 AromaticContact CD1-CE2 3.44Å; W170-W282 VanDerWaalsContact CD1-CE2 3.44Å; W170-W282 AromaticContact CD1-CZ2 3.73Å; W170-W282 AromaticContact CD1-NE1 3.73Å; W170-W282 AromaticContact NE1-CD1 3.33Å; W170-W282 VanDerWaalsContact NE1-CD1 3.33Å; W170-W282 AromaticContact NE1-CD2 3.52Å; W170-W282 AromaticContact NE1-CE2 3.49Å; W170-W282 AromaticContact NE1-CG 3.44Å; W170-W282 AromaticContact NE1-NE1 3.32Å; L216-W282 HydrophobicContact CD1-CB 4.03Å; E278-W282 VanDerWaalsContact O-CD1 3.27Å; E278-W282 PolarHBondContact O-N 3.44Å; A279-W282 PolarHBondContact O-N 3.13Å; W282-T284 PolarHBondContact O-N 3.15Å; W282-S285 VanDerWaalsContact O-CB 3.24Å; W282-S285 WeakPolarHBondContact O-CB 3.49Å; W282-S285 PolarHBondContact O-N 3.21Å; W282-L288 HydrophobicContact CE3-CD1 3.66Å; W282-L288 HydrophobicContact CZ3-CD1 4.18Å
283L86.4Confident77.3Confident23 Ų2373.3 Ų73.312%0.1238%0.378CS..Hα-helixtrans-61.9-31.6175.8-76.7168.1000112.2R213 L216 E217 K220 A279 Q280 S285R213-L283 HydrophobicContact CB-CD2 4.21Å; R213-L283 HydrophobicContact CG-CD2 4.28Å; L216-L283 HydrophobicContact CB-CD1 4Å; L216-L283 HydrophobicContact CB-CD2 3.96Å; L216-L283 HydrophobicContact CB-CG 3.86Å; L216-L283 HydrophobicContact CD1-CD2 4.32Å; L216-L283 HydrophobicContact CD1-CG 4.26Å; E217-L283 HydrophobicContact CG-CD1 3.99Å; E217-L283 HydrophobicContact CG-CD2 4.21Å; K220-L283 HydrophobicContact CD-CD1 4.47Å; A279-L283 WeakPolarHBondContact O-CB 2.85Å; A279-L283 VanDerWaalsContact O-CG 3.24Å; A279-L283 WeakPolarHBondContact O-CG 3.32Å; A279-L283 PolarHBondContact O-N 2.89Å; Q280-L283 PolarHBondContact O-N 2.95Å; L283-S285 VanDerWaalsContact C-N 3.34Å
284T81.9Confident76.1Confident83 Ų8369.7 Ų69.751%0.50937%0.365SS..THydrogen-bonded Turntrans-88.72.2175.853.30000114Q280 T281 W282Q280-T284 VanDerWaalsContact NE2-CG2 3.3Å; Q280-T284 PolarHBondContact O-N 2.79Å; Q280-T284 PolarHBondContact O-OG1 3.35Å; T281-T284 PolarHBondContact O-N 3.49Å; T281-T284 PolarHBondContact O-OG1 3.22Å; W282-T284 PolarHBondContact O-N 3.15Å
285S79.6Confident75.2Confident31 Ų3170.3 Ų70.322%0.21737%0.374CS..SBendtrans-78.3137.8-178.9-174.90000110.4T281 W282 L283 N287 L288 D289T281-S285 PolarHBondContact O-N 3.2Å; W282-S285 VanDerWaalsContact O-CB 3.24Å; W282-S285 WeakPolarHBondContact O-CB 3.49Å; W282-S285 PolarHBondContact O-N 3.21Å; L283-S285 VanDerWaalsContact C-N 3.34Å; S285-N287 PolarHBondContact O-N 2.86Å; S285-L288 PolarHBondContact O-N 3.25Å; S285-D289 WeakPolarHBondContact O-CB 3.27Å; S285-D289 PolarHBondContact O-N 3.42Å
286P66.1Low74.7Confident90 Ų9071.9 Ų71.958%0.58439%0.385SS*.THydrogen-bonded Turntrans-52.8-31.8175.5-2432000112.8L288 D289 N290P286-L288 PolarHBondContact O-N 3.41Å; P286-D289 PolarHBondContact O-N 3.18Å; P286-N290 VanDerWaalsContact O-CG 3.29Å; P286-N290 PolarHBondContact O-OD1 2.82Å
287N66.5Low74.2Confident137 Ų13769.3 Ų69.373%0.73337%0.374SS*.THydrogen-bonded Turntrans-63-22.9-179.8-67.2-34.4000114.5S285S285-N287 PolarHBondContact O-N 2.86Å
288L62.9Low73.4Confident22 Ų2265.2 Ų65.212%0.11536%0.359CS..THydrogen-bonded Turntrans-107.7-14.5174.3-94.4100.7000113.7V212 R213 L216 W282 S285 P286V212-L288 HydrophobicContact CG1-CD2 3.97Å; R213-L288 HydrophobicContact CG-CD2 3.73Å; R213-L288 PolarHBondContact NE-O 3Å; R213-L288 PolarHBondContact NH2-O 3.12Å; L216-L288 HydrophobicContact CD1-CD2 4.23Å; W282-L288 HydrophobicContact CE3-CD1 3.66Å; W282-L288 HydrophobicContact CZ3-CD1 4.18Å; S285-L288 PolarHBondContact O-N 3.25Å; P286-L288 PolarHBondContact O-N 3.41Å
289D56.5Low73Confident44 Ų4464.8 Ų64.824%0.23536%0.358CS..  trans-132.851.8-162-143.114.7000111.1S285 P286 E291 L292S285-D289 WeakPolarHBondContact O-CB 3.27Å; S285-D289 PolarHBondContact O-N 3.42Å; P286-D289 PolarHBondContact O-N 3.18Å; D289-E291 VanDerWaalsContact C-N 3.31Å; D289-L292 WeakPolarHBondContact OD1-CD2 3.39Å; D289-L292 WeakPolarHBondContact OD2-CD2 3.36Å
290N54Low72.7Confident138 Ų13865.7 Ų65.774%0.73836%0.362SS*.SBendtrans-75.4-17.2178.2-77.4-34.1000113.4P286P286-N290 VanDerWaalsContact O-CG 3.29Å; P286-N290 PolarHBondContact O-OD1 2.82Å
291E53.3Low72.4Confident159 Ų15962.6 Ų62.674%0.74335%0.349SS*.SBendtrans-138.3116.7176.9-68-175.9166.600108.3D289 P293 A294D289-E291 VanDerWaalsContact C-N 3.31Å; E291-P293 CarbonylContact O-C 3.59Å; E291-P293 VanDerWaalsContact O-C 3.29Å; E291-A294 VanDerWaalsContact O-CA 3.31Å; E291-A294 WeakPolarHBondContact O-CA 3.25Å; E291-A294 WeakPolarHBondContact O-CB 3.38Å; E291-A294 PolarHBondContact O-N 3.25Å
292L53.8Low72Confident138 Ų13859.1 Ų59.172%0.72333%0.328SS*.SBendtrans-97.2132.8-172.4-93.8168.6000112.4D289D289-L292 WeakPolarHBondContact OD1-CD2 3.39Å; D289-L292 WeakPolarHBondContact OD2-CD2 3.36Å
293P56Low71.8Confident71 Ų7156.2 Ų56.246%0.46132%0.319SS..SBendcis-81.4130.7-14.631.2-32.3000112.4E291 N439E291-P293 CarbonylContact O-C 3.59Å; E291-P293 VanDerWaalsContact O-C 3.29Å; P293-N439 WeakPolarHBondContact CD-ND2 3.46Å; P293-N439 HydrophobicContact CG-CB 3.98Å; P293-N439 VanDerWaalsContact CG-CG 3.44Å; P293-N439 WeakPolarHBondContact CG-ND2 3.46Å
294A65.1Low72Confident17 Ų1755.1 Ų55.114%0.1431%0.313CS..PPolyproline II helixtrans-69.4143177.700000110.8R213 E291R213-A294 VanDerWaalsContact NE-CB 3.31Å; E291-A294 VanDerWaalsContact O-CA 3.31Å; E291-A294 WeakPolarHBondContact O-CA 3.25Å; E291-A294 WeakPolarHBondContact O-CB 3.38Å; E291-A294 PolarHBondContact O-N 3.25Å
295P70.6Confident72.3Confident55 Ų5551.5 Ų51.536%0.35729%0.291SS..PPolyproline II helixtrans-67.2145.8-170.825.7-34.1000112.3E210 R213E210-P295 HydrophobicContact CG-CB 4.42Å; E210-P295 WeakPolarHBondContact CG-O 3.37Å; R213-P295 WeakPolarHBondContact CD-O 3.08Å; R213-P295 PolarHBondContact NH1-O 3.08Å
296S80.1Confident72.6Confident34 Ų3450.4 Ų50.424%0.23828%0.283CS..  trans-135.8158.4167.867.70000109.8E217E217-S296 PolarHBondContact OE1-OG 3.2Å; E217-S296 WeakPolarHBondContact OE2-CB 3.43Å; E217-S296 PolarHBondContact OE2-OG 2.85Å
297W82.5Confident73.7Confident11 Ų1146.7 Ų46.74%0.04226%0.259CS..  trans-71.1139.9173.6-54.4-31.5000110.2L163 W197 C201 F206 E210 G211 T214 V299L163-W297 HydrophobicContact CD2-CH2 3.84Å; L163-W297 HydrophobicContact CD2-CZ3 4.12Å; W197-W297 HydrophobicContact CB-CH2 4.42Å; W197-W297 HydrophobicContact CB-CZ3 3.97Å; C201-W297 HydrophobicContact CB-CD2 4.27Å; C201-W297 HydrophobicContact CB-CG 4.45Å; C201-W297 HydrophobicContact CB-CZ2 4.24Å; C201-W297 WeakPolarHBondContact SG-CZ2 3.2Å; F206-W297 HydrophobicContact CB-CZ2 3.98Å; F206-W297 AromaticContact CD2-CH2 3.67Å; F206-W297 HydrophobicContact CD2-CH2 3.67Å; F206-W297 AromaticContact CD2-CZ2 3.39Å; F206-W297 HydrophobicContact CD2-CZ2 3.39Å; F206-W297 AromaticContact CE2-CH2 3.74Å; F206-W297 HydrophobicContact CE2-CH2 3.74Å; F206-W297 AromaticContact CE2-CZ2 3.97Å; F206-W297 HydrophobicContact CE2-CZ2 3.97Å; F206-W297 HydrophobicContact CG-CH2 4.15Å; F206-W297 AromaticContact CG-CZ2 3.74Å; F206-W297 HydrophobicContact CG-CZ2 3.74Å; F206-W297 HydrophobicContact CZ-CH2 4.3Å; E210-W297 HydrophobicContact CG-CG 4.39Å; E210-W297 PolarHBondContact OE2-NE1 3.37Å; G211-W297 VanDerWaalsContact CA-CH2 3.44Å; T214-W297 HydrophobicContact CG2-CB 3.83Å; T214-W297 HydrophobicContact CG2-CE3 4.05Å; T214-W297 HydrophobicContact CG2-CG 4.49Å; T214-W297 WeakPolarHBondContact OG1-CB 3.32Å; T214-W297 PolarHBondContact OG1-N 2.67Å; W297-V299 VanDerWaalsContact C-N 3.32Å; W297-V299 HydrophobicContact CB-CG2 3.98Å; W297-V299 PolarHBondContact O-N 2.94Å
298N75.6Confident74.7Confident60 Ų6042.2 Ų42.232%0.32124%0.237SC..  trans-81.879.6-179.1-156.4-28.9000111.3T369N298-T369 HydrophobicContact CB-CG2 4.15Å; N298-T369 VanDerWaalsContact ND2-CB 3.32Å; N298-T369 WeakPolarHBondContact ND2-CB 3.41Å; N298-T369 WeakPolarHBondContact ND2-CG2 3.27Å; N298-T369 VanDerWaalsContact OD1-CG2 3.26Å; N298-T369 WeakPolarHBondContact OD1-CG2 3.44Å
299V83.1Confident75.9Confident16 Ų1641.3 Ų41.310%0.09723%0.233CC..  trans-106.4130.7-177.6-177.80000110.7Y195 A196 Q199 T214 L218 W297Y195-V299 HydrophobicContact CD1-CG1 4.06Å; Y195-V299 HydrophobicContact CE1-CG1 3.57Å; A196-V299 VanDerWaalsContact O-CG2 3.28Å; A196-V299 WeakPolarHBondContact O-CG2 3.39Å; Q199-V299 HydrophobicContact CB-CB 4.47Å; Q199-V299 HydrophobicContact CB-CG1 3.7Å; Q199-V299 HydrophobicContact CB-CG2 4.23Å; Q199-V299 HydrophobicContact CG-CG1 4.39Å; T214-V299 HydrophobicContact CG2-CB 4.08Å; T214-V299 HydrophobicContact CG2-CG2 3.63Å; L218-V299 HydrophobicContact CD1-CB 4.29Å; L218-V299 HydrophobicContact CD1-CG1 3.91Å; L218-V299 HydrophobicContact CD2-CB 4.31Å; L218-V299 HydrophobicContact CD2-CG1 4Å; L218-V299 HydrophobicContact CG-CG1 4.48Å; W297-V299 VanDerWaalsContact C-N 3.32Å; W297-V299 HydrophobicContact CB-CG2 3.98Å; W297-V299 PolarHBondContact O-N 2.94Å
300L84.4Confident77.5Confident18 Ų1844 Ų449%0.09424%0.244CC..  trans-80.3137.3175.5-59-171.1000111Y195 A302 F315 F319 H512Y195-L300 VanDerWaalsContact CE1-O 3.27Å; Y195-L300 WeakPolarHBondContact CE1-O 3.2Å; Y195-L300 PolarHBondContact OH-O 2.81Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.37Å; L300-F315 HydrophobicContact CD1-CE1 4.5Å; L300-F315 HydrophobicContact CD1-CE2 4.21Å; L300-F315 HydrophobicContact CD1-CZ 3.62Å; L300-F319 HydrophobicContact CD1-CB 4.29Å; L300-F319 HydrophobicContact CD2-CB 3.59Å; L300-F319 HydrophobicContact CD2-CD1 3.62Å; L300-F319 HydrophobicContact CD2-CG 3.82Å; L300-H512 VanDerWaalsContact CD1-CE1 3.46Å; L300-H512 WeakPolarHBondContact CD1-CE1 3.4Å
301P84.1Confident79.2Confident6 Ų640.6 Ų40.64%0.03923%0.225CC..SBendtrans-70.1-24.1177.928.5-34.6000112.9L218 C221 K224 L225 C226 F319L218-P301 HydrophobicContact CD2-CB 4.22Å; C221-P301 HydrophobicContact CB-CB 4.12Å; C221-P301 HydrophobicContact CB-CG 4.38Å; K224-P301 HydrophobicContact CB-CB 4Å; K224-P301 HydrophobicContact CB-CG 3.84Å; K224-P301 HydrophobicContact CD-CG 4.41Å; L225-P301 VanDerWaalsContact CA-O 3.27Å; L225-P301 WeakPolarHBondContact CA-O 3.49Å; L225-P301 HydrophobicContact CD2-CB 3.83Å; C226-P301 PolarHBondContact N-O 3.1Å; P301-F319 HydrophobicContact CG-CE1 3.74Å; P301-F319 HydrophobicContact CG-CZ 3.81Å
302A81.9Confident81.1Confident12 Ų1233 Ų3310%0.09919%0.19CC..SBendtrans-134.9137.5172.800000110.4K224 C226 L300K224-A302 WeakPolarHBondContact O-CB 3.25Å; C226-A302 HydrophobicContact CB-CB 3.99Å; L300-A302 VanDerWaalsContact C-N 3.27Å; L300-A302 PolarHBondContact O-N 3.37Å
303P84.1Confident83.1Confident15 Ų1529.5 Ų29.510%0.09717%0.172CC..  trans-60.8146.1168.5-24.334.3000111.5C226 Y228 F305 T306C226-P303 WeakPolarHBondContact O-CD 3.4Å; Y228-P303 HydrophobicContact CD1-CG 4.34Å; Y228-P303 HydrophobicContact CE1-CB 4.19Å; Y228-P303 HydrophobicContact CE1-CG 3.87Å; P303-F305 PolarHBondContact O-N 3.32Å; P303-T306 PolarHBondContact O-N 2.97Å; P303-T306 VanDerWaalsContact O-N 3.15Å; P303-T306 PolarHBondContact O-OG1 3.06Å
304L90.3Very high84.7Confident0 Ų031.5 Ų31.50%017%0.173CC..G310 helixtrans-52.6-42.3176.1169.460.1000111.1T306 T307 L312 F315 L509 W513 F556 W627 C632L304-T306 PolarHBondContact O-N 3.35Å; L304-T307 VanDerWaalsContact O-CB 3.25Å; L304-T307 WeakPolarHBondContact O-CB 3.28Å; L304-T307 PolarHBondContact O-N 2.85Å; L304-T307 PolarHBondContact O-OG1 3.47Å; L304-L312 HydrophobicContact CD1-CD2 3.68Å; L304-F315 HydrophobicContact CB-CE1 4.07Å; L304-F315 HydrophobicContact CB-CE2 4.47Å; L304-F315 HydrophobicContact CB-CZ 3.78Å; L304-F315 HydrophobicContact CD1-CD1 3.95Å; L304-F315 HydrophobicContact CD1-CE1 3.78Å; L304-F315 HydrophobicContact CD1-CG 4.48Å; L304-F315 HydrophobicContact CD1-CZ 4.18Å; L304-F315 HydrophobicContact CG-CE1 4.41Å; L304-L509 HydrophobicContact CD1-CD1 3.48Å; L304-L509 VanDerWaalsContact CD1-CD1 3.48Å; L304-L509 HydrophobicContact CD1-CG 4.47Å; L304-L509 HydrophobicContact CD2-CD1 3.77Å; L304-L509 HydrophobicContact CD2-CG 4.25Å; L304-L509 HydrophobicContact CG-CD1 4.29Å; L304-W513 HydrophobicContact CD2-CB 4.1Å; L304-F556 HydrophobicContact CD2-CE1 4.4Å; L304-F556 HydrophobicContact CD2-CZ 4.23Å; L304-W627 HydrophobicContact CB-CH2 3.99Å; L304-W627 HydrophobicContact CD2-CH2 3.91Å; L304-W627 HydrophobicContact CD2-CZ3 4.02Å; L304-W627 HydrophobicContact CG-CH2 3.78Å; L304-W627 HydrophobicContact CG-CZ3 3.85Å; L304-C632 PolarHBondContact O-SG 2.79Å
305F88.4Confident85.9Confident7 Ų731 Ų313%0.03117%0.168CC..G310 helixtrans-50.4-29.2-178.7-173.8-86.2000114.5Y228 F235 P303 W627 S630 P631Y228-F305 WeakPolarHBondContact OH-CB 3.5Å; Y228-F305 VanDerWaalsContact OH-CD1 3.27Å; Y228-F305 WeakPolarHBondContact OH-CD1 3.33Å; Y228-F305 WeakPolarHBondContact OH-CG 3.44Å; F235-F305 HydrophobicContact CD1-CE1 4.43Å; F235-F305 HydrophobicContact CD1-CZ 4.34Å; F235-F305 HydrophobicContact CD2-CE1 4.2Å; F235-F305 AromaticContact CD2-CZ 3.87Å; F235-F305 HydrophobicContact CD2-CZ 3.87Å; F235-F305 AromaticContact CE1-CE1 3.78Å; F235-F305 HydrophobicContact CE1-CE1 3.78Å; F235-F305 HydrophobicContact CE1-CZ 4.14Å; F235-F305 HydrophobicContact CE2-CD1 4.21Å; F235-F305 AromaticContact CE2-CE1 3.51Å; F235-F305 HydrophobicContact CE2-CE1 3.51Å; F235-F305 HydrophobicContact CE2-CE2 4.46Å; F235-F305 AromaticContact CE2-CZ 3.66Å; F235-F305 HydrophobicContact CE2-CZ 3.66Å; F235-F305 HydrophobicContact CG-CZ 4.22Å; F235-F305 HydrophobicContact CZ-CD1 4.07Å; F235-F305 AromaticContact CZ-CE1 3.28Å; F235-F305 HydrophobicContact CZ-CE1 3.28Å; F235-F305 AromaticContact CZ-CZ 3.81Å; F235-F305 HydrophobicContact CZ-CZ 3.81Å; P303-F305 PolarHBondContact O-N 3.32Å; F305-W627 HydrophobicContact CB-CH2 3.79Å; F305-W627 HydrophobicContact CB-CZ2 3.97Å; F305-W627 HydrophobicContact CB-CZ3 4.18Å; F305-W627 AromaticContact CD2-CD2 3.76Å; F305-W627 HydrophobicContact CD2-CD2 3.76Å; F305-W627 AromaticContact CD2-CE2 3.76Å; F305-W627 HydrophobicContact CD2-CE3 4.03Å; F305-W627 HydrophobicContact CD2-CG 4.21Å; F305-W627 HydrophobicContact CD2-CH2 4.33Å; F305-W627 HydrophobicContact CD2-CZ2 4.06Å; F305-W627 HydrophobicContact CD2-CZ3 4.3Å; F305-W627 HydrophobicContact CE2-CD2 4.38Å; F305-W627 HydrophobicContact CE2-CG 4.38Å; F305-S630 PolarHBondContact O-OG 2.89Å; F305-P631 WeakPolarHBondContact O-CD 2.81Å
306T85.9Confident86.9Confident8 Ų828.4 Ų28.45%0.04915%0.151CC..G310 helixtrans-90.8-7.3-177.167.60000113.5Y228 L248 P303 L304 P308Y228-T306 HydrophobicContact CD1-CG2 4.21Å; Y228-T306 HydrophobicContact CE1-CG2 3.63Å; L248-T306 HydrophobicContact CB-CG2 4.48Å; L248-T306 HydrophobicContact CD1-CG2 4.17Å; L248-T306 HydrophobicContact CD2-CG2 3.93Å; L248-T306 HydrophobicContact CG-CG2 4.41Å; P303-T306 PolarHBondContact O-N 2.97Å; P303-T306 VanDerWaalsContact O-N 3.15Å; P303-T306 PolarHBondContact O-OG1 3.06Å; L304-T306 PolarHBondContact O-N 3.35Å; T306-P308 WeakPolarHBondContact O-CD 3.29Å
307T88.1Confident87.3Confident13 Ų1334.3 Ų34.38%0.0817%0.172CC..SBendtrans-77.9121.8-174.1-56.40000109.8L304 L311 L312 F315 P631 C632L304-T307 VanDerWaalsContact O-CB 3.25Å; L304-T307 WeakPolarHBondContact O-CB 3.28Å; L304-T307 PolarHBondContact O-N 2.85Å; L304-T307 PolarHBondContact O-OG1 3.47Å; T307-L311 HydrophobicContact CG2-CB 3.98Å; T307-L312 HydrophobicContact CG2-CD2 3.96Å; T307-F315 HydrophobicContact CG2-CB 3.94Å; T307-F315 HydrophobicContact CG2-CD2 4.26Å; T307-F315 HydrophobicContact CG2-CG 4.32Å; T307-F315 WeakPolarHBondContact OG1-CD2 3.27Å; T307-P631 CarbonylContact O-C 3.53Å; T307-C632 WeakPolarHBondContact O-CA 3.21Å; T307-C632 PolarHBondContact O-N 3.48Å; T307-C632 VanDerWaalsContact O-N 3.1Å; T307-C632 PolarHBondContact O-SG 3.16Å
308P87.5Confident87.4Confident43 Ų4336.7 Ų36.728%0.27918%0.184SC..  trans-58147.4172.6-2534.9000112.4T306 H310 L311 L312 P631T306-P308 WeakPolarHBondContact O-CD 3.29Å; P308-H310 VanDerWaalsContact C-N 3.32Å; P308-H310 VanDerWaalsContact CB-CE1 3.44Å; P308-H310 WeakPolarHBondContact CB-CE1 3.05Å; P308-H310 PolarHBondContact O-N 3.1Å; P308-L311 HydrophobicContact CB-CD1 4.48Å; P308-L311 HydrophobicContact CB-CG 4.47Å; P308-L311 HydrophobicContact CG-CD1 4.13Å; P308-L311 WeakPolarHBondContact O-CA 3.19Å; P308-L311 PolarHBondContact O-N 3.04Å; P308-L312 PolarHBondContact O-N 3.09Å; P308-P631 CarbonylContact C-O 3.56Å; P308-P631 WeakPolarHBondContact CA-O 3.43Å
309G89.8Confident87.8Confident3 Ų335.2 Ų35.23%0.03118%0.175CC..G310 helixtrans-52.7-46.4-176.900000113.8L311 L312 P631 C632 K634G309-L311 PolarHBondContact O-N 2.9Å; G309-L311 VanDerWaalsContact O-N 3.07Å; G309-L312 WeakPolarHBondContact O-CB 3.49Å; G309-L312 VanDerWaalsContact O-CG 3.3Å; G309-L312 WeakPolarHBondContact O-CG 3.44Å; G309-L312 PolarHBondContact O-N 3.49Å; G309-L312 VanDerWaalsContact O-N 3.09Å; G309-P631 PolarHBondContact N-O 3.1Å; G309-C632 WeakPolarHBondContact CA-O 3.49Å; G309-K634 WeakPolarHBondContact CA-O 3.16Å; G309-K634 PolarHBondContact N-O 3.46Å; G309-K634 VanDerWaalsContact N-O 3.09Å
310H88.2Confident88Confident101 Ų10134.5 Ų34.547%0.46817%0.171SC..G310 helixtrans-66.2-9.3178.270.5-84.3000114.7P308 G636P308-H310 VanDerWaalsContact C-N 3.32Å; P308-H310 VanDerWaalsContact CB-CE1 3.44Å; P308-H310 WeakPolarHBondContact CB-CE1 3.05Å; P308-H310 PolarHBondContact O-N 3.1Å; H310-G636 WeakPolarHBondContact ND1-CA 3.37Å; H310-G636 PolarHBondContact ND1-N 2.92Å
311L90.1Very high88.2Confident66 Ų6636.2 Ų36.235%0.34618%0.178SC..G310 helixtrans-106.21176.5-63.2-178000113.1T307 P308 G309 D313 K314 F315T307-L311 HydrophobicContact CG2-CB 3.98Å; P308-L311 HydrophobicContact CB-CD1 4.48Å; P308-L311 HydrophobicContact CB-CG 4.47Å; P308-L311 HydrophobicContact CG-CD1 4.13Å; P308-L311 WeakPolarHBondContact O-CA 3.19Å; P308-L311 PolarHBondContact O-N 3.04Å; G309-L311 PolarHBondContact O-N 2.9Å; G309-L311 VanDerWaalsContact O-N 3.07Å; L311-D313 VanDerWaalsContact C-N 3.31Å; L311-D313 PolarHBondContact O-N 3.26Å; L311-K314 WeakPolarHBondContact O-CB 3.47Å; L311-K314 PolarHBondContact O-N 3.48Å; L311-K314 VanDerWaalsContact O-N 3.17Å; L311-F315 PolarHBondContact O-N 3.14Å
312L94.6Very high88.2Confident0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-61.1-38.1-179.1-69.8178000112.5L304 T307 P308 G309 K314 F315 I316 L509 T552 A553 F556 C632L304-L312 HydrophobicContact CD1-CD2 3.68Å; T307-L312 HydrophobicContact CG2-CD2 3.96Å; P308-L312 PolarHBondContact O-N 3.09Å; G309-L312 WeakPolarHBondContact O-CB 3.49Å; G309-L312 VanDerWaalsContact O-CG 3.3Å; G309-L312 WeakPolarHBondContact O-CG 3.44Å; G309-L312 PolarHBondContact O-N 3.49Å; G309-L312 VanDerWaalsContact O-N 3.09Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.09Å; L312-F315 WeakPolarHBondContact O-CB 3.42Å; L312-F315 PolarHBondContact O-N 3.38Å; L312-I316 VanDerWaalsContact O-CG1 3.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 3.45Å; L312-L509 HydrophobicContact CB-CD2 4.47Å; L312-L509 HydrophobicContact CD1-CD2 4.06Å; L312-L509 HydrophobicContact CD2-CD1 4.46Å; L312-L509 HydrophobicContact CD2-CD2 4.26Å; L312-T552 HydrophobicContact CB-CG2 3.9Å; L312-T552 HydrophobicContact CD1-CG2 4.31Å; L312-A553 HydrophobicContact CD1-CB 3.68Å; L312-F556 HydrophobicContact CD1-CD1 4.41Å; L312-C632 HydrophobicContact CD1-CB 4.46Å; L312-C632 HydrophobicContact CD2-CB 4.4Å
313D93.9Very high88Confident63 Ų6340.1 Ų40.134%0.33720%0.198SC..Hα-helixtrans-64.1-40.8176.1-71.5-47.8000112.6L311 F315 I316 K317 K502 T552L311-D313 VanDerWaalsContact C-N 3.31Å; L311-D313 PolarHBondContact O-N 3.26Å; D313-F315 VanDerWaalsContact C-N 3.34Å; D313-I316 PolarHBondContact O-N 3.48Å; D313-K317 WeakPolarHBondContact O-CB 3.48Å; D313-K317 PolarHBondContact O-N 3.18Å; D313-K502 IonicContact OD1-NZ 2.88Å; D313-K502 PolarHBondContact OD1-NZ 2.85Å; D313-K502 IonicContact OD2-NZ 3.19Å; D313-K502 PolarHBondContact OD2-NZ 3.44Å; D313-T552 PolarHBondContact OD1-OG1 3.23Å
314K90.1Very high87.9Confident113 Ų11346.8 Ų46.849%0.49123%0.225SC..Hα-helixtrans-63.9-43.4174.2-176.2178.6178.8178.70110.4L311 L312 K317 E318L311-K314 WeakPolarHBondContact O-CB 3.47Å; L311-K314 PolarHBondContact O-N 3.48Å; L311-K314 VanDerWaalsContact O-N 3.17Å; L312-K314 VanDerWaalsContact C-N 3.34Å; L312-K314 PolarHBondContact O-N 3.09Å; K314-K317 PolarHBondContact O-N 3.02Å; K314-E318 WeakPolarHBondContact CE-OE1 3.46Å; K314-E318 HydrophobicContact CG-CG 4.3Å; K314-E318 WeakPolarHBondContact O-CB 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.44Å; K314-E318 PolarHBondContact O-N 3.38Å
315F90.1Very high87.3Confident6 Ų649.7 Ų49.73%0.02625%0.245CC..Hα-helixtrans-59.7-47.7176.6-179.4-85.4000111.5L300 L304 T307 L311 L312 D313 K317 E318 F319 L320 L509L300-F315 HydrophobicContact CD1-CE1 4.5Å; L300-F315 HydrophobicContact CD1-CE2 4.21Å; L300-F315 HydrophobicContact CD1-CZ 3.62Å; L304-F315 HydrophobicContact CB-CE1 4.07Å; L304-F315 HydrophobicContact CB-CE2 4.47Å; L304-F315 HydrophobicContact CB-CZ 3.78Å; L304-F315 HydrophobicContact CD1-CD1 3.95Å; L304-F315 HydrophobicContact CD1-CE1 3.78Å; L304-F315 HydrophobicContact CD1-CG 4.48Å; L304-F315 HydrophobicContact CD1-CZ 4.18Å; L304-F315 HydrophobicContact CG-CE1 4.41Å; T307-F315 HydrophobicContact CG2-CB 3.94Å; T307-F315 HydrophobicContact CG2-CD2 4.26Å; T307-F315 HydrophobicContact CG2-CG 4.32Å; T307-F315 WeakPolarHBondContact OG1-CD2 3.27Å; L311-F315 PolarHBondContact O-N 3.14Å; L312-F315 WeakPolarHBondContact O-CB 3.42Å; L312-F315 PolarHBondContact O-N 3.38Å; D313-F315 VanDerWaalsContact C-N 3.34Å; F315-K317 VanDerWaalsContact C-N 3.34Å; F315-K317 PolarHBondContact O-N 2.85Å; F315-E318 PolarHBondContact O-N 2.99Å; F315-F319 HydrophobicContact CB-CD2 4.34Å; F315-F319 AromaticContact CD2-CD2 3.45Å; F315-F319 HydrophobicContact CD2-CD2 3.45Å; F315-F319 VanDerWaalsContact CD2-CD2 3.45Å; F315-F319 AromaticContact CD2-CE2 3.9Å; F315-F319 HydrophobicContact CD2-CE2 3.9Å; F315-F319 HydrophobicContact CD2-CG 4.47Å; F315-F319 AromaticContact CE2-CD2 3.76Å; F315-F319 HydrophobicContact CE2-CD2 3.76Å; F315-F319 HydrophobicContact CE2-CE2 4.33Å; F315-F319 HydrophobicContact CE2-CG 4.45Å; F315-F319 AromaticContact CG-CD2 3.86Å; F315-F319 HydrophobicContact CG-CD2 3.86Å; F315-F319 HydrophobicContact CZ-CD2 4.43Å; F315-F319 VanDerWaalsContact O-CB 3.3Å; F315-F319 WeakPolarHBondContact O-CB 3.36Å; F315-F319 WeakPolarHBondContact O-CD2 3.25Å; F315-F319 PolarHBondContact O-N 2.88Å; F315-L320 HydrophobicContact CD1-CD1 4.17Å; F315-L320 HydrophobicContact CD1-CG 4.12Å; F315-L320 HydrophobicContact CE1-CD1 3.94Å; F315-L320 HydrophobicContact CE1-CD2 3.92Å; F315-L320 HydrophobicContact CE1-CG 3.85Å; F315-L509 HydrophobicContact CD1-CD1 4.22Å; F315-L509 HydrophobicContact CE1-CD1 4.44Å
316I91.8Very high86.8Confident2 Ų249.9 Ų49.91%0.0125%0.246CC..Iπ-helixtrans-58-48.8177.4-68.5160.4000110.4L312 D313 E318 L320 Q321 D505 L509 T552L312-I316 VanDerWaalsContact O-CG1 3.26Å; L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 3.45Å; D313-I316 PolarHBondContact O-N 3.48Å; I316-E318 PolarHBondContact O-N 3Å; I316-L320 HydrophobicContact CG1-CD1 4.1Å; I316-L320 HydrophobicContact CG2-CB 4.37Å; I316-L320 CarbonylContact O-C 3.54Å; I316-L320 WeakPolarHBondContact O-CA 2.88Å; I316-L320 PolarHBondContact O-N 3.39Å; I316-Q321 HydrophobicContact CG2-CG 3.88Å; I316-Q321 PolarHBondContact O-N 2.6Å; I316-D505 HydrophobicContact CD1-CB 4.24Å; I316-D505 HydrophobicContact CG2-CB 3.85Å; I316-L509 HydrophobicContact CD1-CB 4.1Å; I316-L509 HydrophobicContact CD1-CD1 4.33Å; I316-L509 HydrophobicContact CD1-CD2 4.34Å; I316-L509 HydrophobicContact CG1-CB 4.28Å; I316-L509 HydrophobicContact CG1-CD1 3.98Å; I316-T552 HydrophobicContact CD1-CG2 3.7Å
317K89.7Confident86.6Confident157 Ų15752.8 Ų52.868%0.68326%0.261SS*.Iπ-helixtrans-62.7-42.9-178.8-174.8177.5179.9178.90113.2D313 K314 F315D313-K317 WeakPolarHBondContact O-CB 3.48Å; D313-K317 PolarHBondContact O-N 3.18Å; K314-K317 PolarHBondContact O-N 3.02Å; F315-K317 VanDerWaalsContact C-N 3.34Å; F315-K317 PolarHBondContact O-N 2.85Å
318E83.8Confident86.4Confident62 Ų6257.1 Ų57.129%0.2928%0.28SS..Iπ-helixtrans-78.4-36.4-175.9-69.7-175.9166.200112.8K224 K314 F315 I316 K368K224-E318 IonicContact NZ-OE1 3.18Å; K224-E318 PolarHBondContact NZ-OE1 3.23Å; K224-E318 IonicContact NZ-OE2 2.66Å; K224-E318 PolarHBondContact NZ-OE2 2.93Å; K314-E318 WeakPolarHBondContact CE-OE1 3.46Å; K314-E318 HydrophobicContact CG-CG 4.3Å; K314-E318 WeakPolarHBondContact O-CB 3.42Å; K314-E318 WeakPolarHBondContact O-CG 3.44Å; K314-E318 PolarHBondContact O-N 3.38Å; F315-E318 PolarHBondContact O-N 2.99Å; I316-E318 PolarHBondContact O-N 3Å; E318-K368 PolarHBondContact O-NZ 3.32Å; E318-K368 VanDerWaalsContact O-NZ 3.12Å
319F83.9Confident86Confident28 Ų2856.1 Ų56.112%0.12327%0.272CS..Iπ-helixtrans-118.1-31.7-164.4-59-58.7000114.8K224 L300 P301 F315 K368K224-F319 HydrophobicContact CD-CZ 3.93Å; L300-F319 HydrophobicContact CD1-CB 4.29Å; L300-F319 HydrophobicContact CD2-CB 3.59Å; L300-F319 HydrophobicContact CD2-CD1 3.62Å; L300-F319 HydrophobicContact CD2-CG 3.82Å; P301-F319 HydrophobicContact CG-CE1 3.74Å; P301-F319 HydrophobicContact CG-CZ 3.81Å; F315-F319 HydrophobicContact CB-CD2 4.34Å; F315-F319 AromaticContact CD2-CD2 3.45Å; F315-F319 HydrophobicContact CD2-CD2 3.45Å; F315-F319 VanDerWaalsContact CD2-CD2 3.45Å; F315-F319 AromaticContact CD2-CE2 3.9Å; F315-F319 HydrophobicContact CD2-CE2 3.9Å; F315-F319 HydrophobicContact CD2-CG 4.47Å; F315-F319 AromaticContact CE2-CD2 3.76Å; F315-F319 HydrophobicContact CE2-CD2 3.76Å; F315-F319 HydrophobicContact CE2-CE2 4.33Å; F315-F319 HydrophobicContact CE2-CG 4.45Å; F315-F319 AromaticContact CG-CD2 3.86Å; F315-F319 HydrophobicContact CG-CD2 3.86Å; F315-F319 HydrophobicContact CZ-CD2 4.43Å; F315-F319 VanDerWaalsContact O-CB 3.3Å; F315-F319 WeakPolarHBondContact O-CB 3.36Å; F315-F319 WeakPolarHBondContact O-CD2 3.25Å; F315-F319 PolarHBondContact O-N 2.88Å; F319-K368 WeakPolarHBondContact O-CB 3.43Å; F319-K368 WeakPolarHBondContact O-CD 3.5Å
320L88.1Confident85.7Confident2 Ų256.2 Ų56.21%0.0127%0.271CS..Iπ-helixtrans-105.9-29.2-172.5-54.7-169000113.8F315 I316 L367 K368 R508 L509 H512F315-L320 HydrophobicContact CD1-CD1 4.17Å; F315-L320 HydrophobicContact CD1-CG 4.12Å; F315-L320 HydrophobicContact CE1-CD1 3.94Å; F315-L320 HydrophobicContact CE1-CD2 3.92Å; F315-L320 HydrophobicContact CE1-CG 3.85Å; I316-L320 HydrophobicContact CG1-CD1 4.1Å; I316-L320 HydrophobicContact CG2-CB 4.37Å; I316-L320 CarbonylContact O-C 3.54Å; I316-L320 WeakPolarHBondContact O-CA 2.88Å; I316-L320 PolarHBondContact O-N 3.39Å; L320-L367 HydrophobicContact CB-CD2 4.07Å; L320-L367 HydrophobicContact CD2-CD2 4.4Å; L320-L367 CarbonylContact O-C 3.59Å; L320-L367 WeakPolarHBondContact O-CA 3.49Å; L320-K368 PolarHBondContact O-N 3.01Å; L320-R508 HydrophobicContact CB-CB 4.43Å; L320-L509 HydrophobicContact CD1-CB 4.49Å; L320-L509 HydrophobicContact CD1-CD1 3.89Å; L320-H512 HydrophobicContact CD1-CB 3.81Å; L320-H512 HydrophobicContact CD2-CB 3.88Å; L320-H512 VanDerWaalsContact CD2-ND1 3.34Å; L320-H512 WeakPolarHBondContact CD2-ND1 3.26Å
321Q87.8Confident85.7Confident53 Ų5354.4 Ų54.425%0.24827%0.265CS..SBendtrans-75.1129.4179.6-77.9-177.2-18.700111.1I316 K368 D505I316-Q321 HydrophobicContact CG2-CG 3.88Å; I316-Q321 PolarHBondContact O-N 2.6Å; Q321-K368 WeakPolarHBondContact O-CB 3.38Å; Q321-D505 PolarHBondContact NE2-OD1 3.38Å; Q321-D505 PolarHBondContact NE2-OD2 3.24Å
322P84.4Confident85.5Confident20 Ų2053.6 Ų53.613%0.1327%0.265CS..PPolyproline II helixtrans-56.7138.7166.4-23.833.8000110.9F326 L327 A366P322-F326 HydrophobicContact CB-CD1 3.76Å; P322-F326 HydrophobicContact CB-CE1 4.17Å; P322-L327 HydrophobicContact CB-CD1 4.33Å; P322-L327 HydrophobicContact CB-CD2 3.74Å; P322-L327 HydrophobicContact CB-CG 3.87Å; P322-L327 HydrophobicContact CG-CD2 4.34Å; P322-A366 VanDerWaalsContact CD-O 3.23Å; P322-A366 WeakPolarHBondContact CD-O 3.39Å; P322-A366 HydrophobicContact CG-CB 4.03Å; P322-A366 WeakPolarHBondContact CG-O 3.38Å
323N78.2Confident85.1Confident80 Ų8053.6 Ų53.643%0.42827%0.265SS..PPolyproline II helixtrans-87.616817269.235.6000110.7C325 F326 L327N323-C325 PolarHBondContact O-N 2.84Å; N323-C325 PolarHBondContact OD1-N 3.16Å; N323-F326 PolarHBondContact O-N 2.52Å; N323-F326 VanDerWaalsContact OD1-CB 3.25Å; N323-F326 WeakPolarHBondContact OD1-CB 3.28Å; N323-F326 PolarHBondContact OD1-N 2.83Å; N323-L327 WeakPolarHBondContact O-CG 3.41Å; N323-L327 PolarHBondContact O-N 2.92Å; N323-L327 VanDerWaalsContact O-N 3.1Å
324K82.4Confident84.8Confident155 Ų15550.7 Ų50.767%0.67425%0.25SC*.Hα-helixtrans-58-45.4-177.7-178.7176.1169.21800112.6F326 L327 E328K324-F326 PolarHBondContact O-N 3.44Å; K324-L327 PolarHBondContact O-N 2.9Å; K324-E328 WeakPolarHBondContact CE-OE1 3.41Å; K324-E328 HydrophobicContact CG-CG 4.44Å; K324-E328 IonicContact NZ-OE1 3.85Å; K324-E328 WeakPolarHBondContact O-CG 3.33Å; K324-E328 PolarHBondContact O-N 2.9Å
325C77.6Confident84.8Confident61 Ų6148.7 Ų48.741%0.41224%0.244SC..Hα-helixtrans-59.8-45.4-179.8179.20000111.9N323 L327 E328 Q329N323-C325 PolarHBondContact O-N 2.84Å; N323-C325 PolarHBondContact OD1-N 3.16Å; C325-L327 PolarHBondContact O-N 3.34Å; C325-E328 PolarHBondContact O-N 3.44Å; C325-Q329 WeakPolarHBondContact O-CG 3.46Å; C325-Q329 PolarHBondContact O-N 3.44Å
326F76.4Confident84.8Confident11 Ų1150.8 Ų50.85%0.04826%0.255CS..Hα-helixtrans-61.7-43.2176.6178.4-90.6000112.2P322 N323 K324 Q329 I330 S371 E440P322-F326 HydrophobicContact CB-CD1 3.76Å; P322-F326 HydrophobicContact CB-CE1 4.17Å; N323-F326 PolarHBondContact O-N 2.52Å; N323-F326 VanDerWaalsContact OD1-CB 3.25Å; N323-F326 WeakPolarHBondContact OD1-CB 3.28Å; N323-F326 PolarHBondContact OD1-N 2.83Å; K324-F326 PolarHBondContact O-N 3.44Å; F326-Q329 PolarHBondContact O-N 2.88Å; F326-I330 HydrophobicContact CD1-CD1 3.82Å; F326-I330 HydrophobicContact CD1-CG1 4.46Å; F326-I330 HydrophobicContact CE1-CD1 3.19Å; F326-I330 HydrophobicContact CE1-CG1 4.2Å; F326-I330 HydrophobicContact CE2-CD1 4.4Å; F326-I330 HydrophobicContact CZ-CD1 3.55Å; F326-I330 HydrophobicContact CZ-CG1 4.43Å; F326-I330 PolarHBondContact O-N 2.97Å; F326-S371 WeakPolarHBondContact CE2-OG 3.35Å; F326-S371 WeakPolarHBondContact CZ-OG 3.43Å; F326-E440 WeakPolarHBondContact CE2-OE2 3.3Å
327L82.1Confident84.7Confident70 Ų7050.8 Ų50.837%0.36626%0.255SS..Hα-helixtrans-64.7-40.8177.2-68.1174000111.9P322 N323 K324 C325 Q329 I330 D331P322-L327 HydrophobicContact CB-CD1 4.33Å; P322-L327 HydrophobicContact CB-CD2 3.74Å; P322-L327 HydrophobicContact CB-CG 3.87Å; P322-L327 HydrophobicContact CG-CD2 4.34Å; N323-L327 WeakPolarHBondContact O-CG 3.41Å; N323-L327 PolarHBondContact O-N 2.92Å; N323-L327 VanDerWaalsContact O-N 3.1Å; K324-L327 PolarHBondContact O-N 2.9Å; C325-L327 PolarHBondContact O-N 3.34Å; L327-Q329 VanDerWaalsContact C-N 3.32Å; L327-Q329 PolarHBondContact O-N 3.48Å; L327-I330 PolarHBondContact O-N 3.37Å; L327-D331 WeakPolarHBondContact O-CB 3.42Å; L327-D331 PolarHBondContact O-N 2.9Å
328E83.8Confident84.8Confident103 Ų10346.1 Ų46.148%0.48123%0.233SC..Hα-helixtrans-62.8-38.3175.3-73169.8169.200111.9K324 C325 D331 S332K324-E328 WeakPolarHBondContact CE-OE1 3.41Å; K324-E328 HydrophobicContact CG-CG 4.44Å; K324-E328 IonicContact NZ-OE1 3.85Å; K324-E328 WeakPolarHBondContact O-CG 3.33Å; K324-E328 PolarHBondContact O-N 2.9Å; C325-E328 PolarHBondContact O-N 3.44Å; E328-D331 PolarHBondContact O-N 3.19Å; E328-S332 WeakPolarHBondContact O-CB 3.41Å; E328-S332 PolarHBondContact O-N 2.98Å
329Q80Confident85.1Confident23 Ų2346 Ų4611%0.10724%0.237CC..Hα-helixtrans-65.7-47175-76.1178.7-2.500112.7C325 F326 L327 D331 S332 A333 L438 N439C325-Q329 WeakPolarHBondContact O-CG 3.46Å; C325-Q329 PolarHBondContact O-N 3.44Å; F326-Q329 PolarHBondContact O-N 2.88Å; L327-Q329 VanDerWaalsContact C-N 3.32Å; L327-Q329 PolarHBondContact O-N 3.48Å; Q329-D331 VanDerWaalsContact C-N 3.27Å; Q329-D331 PolarHBondContact O-N 3.24Å; Q329-S332 WeakPolarHBondContact O-CB 3.42Å; Q329-S332 PolarHBondContact O-N 2.92Å; Q329-A333 WeakPolarHBondContact O-CB 3.47Å; Q329-A333 PolarHBondContact O-N 3.49Å; Q329-L438 HydrophobicContact CB-CD2 3.94Å; Q329-L438 HydrophobicContact CG-CD2 4.29Å; Q329-L438 WeakPolarHBondContact O-CD2 3.43Å; Q329-N439 PolarHBondContact NE2-ND2 3.12Å; Q329-N439 PolarHBondContact NE2-OD1 3.31Å
330I83.3Confident85.4Confident4 Ų444.7 Ų44.72%0.02123%0.231CC..Hα-helixtrans-60.5-41.9174.3-69.1-178.8000110.1F326 L327 S332 A333 V334 T361 V442F326-I330 HydrophobicContact CD1-CD1 3.82Å; F326-I330 HydrophobicContact CD1-CG1 4.46Å; F326-I330 HydrophobicContact CE1-CD1 3.19Å; F326-I330 HydrophobicContact CE1-CG1 4.2Å; F326-I330 HydrophobicContact CE2-CD1 4.4Å; F326-I330 HydrophobicContact CZ-CD1 3.55Å; F326-I330 HydrophobicContact CZ-CG1 4.43Å; F326-I330 PolarHBondContact O-N 2.97Å; L327-I330 PolarHBondContact O-N 3.37Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.18Å; I330-A333 PolarHBondContact O-N 3.47Å; I330-V334 HydrophobicContact CG2-CG2 4.02Å; I330-V334 WeakPolarHBondContact O-CB 3.44Å; I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3Å; I330-T361 HydrophobicContact CG2-CG2 4.12Å; I330-V442 HydrophobicContact CG1-CG1 4.45Å; I330-V442 HydrophobicContact CG1-CG2 4.24Å
331D86.6Confident85.6Confident64 Ų6444.7 Ų44.734%0.34223%0.231SC..Hα-helixtrans-62.2-41.9178.2-86.3-21000112.3L327 E328 Q329 N335 R357L327-D331 WeakPolarHBondContact O-CB 3.42Å; L327-D331 PolarHBondContact O-N 2.9Å; E328-D331 PolarHBondContact O-N 3.19Å; Q329-D331 VanDerWaalsContact C-N 3.27Å; Q329-D331 PolarHBondContact O-N 3.24Å; D331-N335 WeakPolarHBondContact O-CB 3.43Å; D331-N335 PolarHBondContact O-N 3.06Å; D331-N335 PolarHBondContact O-ND2 2.94Å; D331-R357 IonicContact OD1-CZ 3.24Å; D331-R357 VanDerWaalsContact OD1-CZ 3.24Å; D331-R357 IonicContact OD1-NH1 3.41Å; D331-R357 PolarHBondContact OD1-NH1 3.41Å; D331-R357 IonicContact OD1-NH2 3.21Å; D331-R357 PolarHBondContact OD1-NH2 3.43Å
332S86Confident85.7Confident48 Ų4848.2 Ų48.234%0.33625%0.245SC..Hα-helixtrans-60.8-51.9173.5-173.50000111.4E328 Q329 I330 V334 N335 I336E328-S332 WeakPolarHBondContact O-CB 3.41Å; E328-S332 PolarHBondContact O-N 2.98Å; Q329-S332 WeakPolarHBondContact O-CB 3.42Å; Q329-S332 PolarHBondContact O-N 2.92Å; I330-S332 VanDerWaalsContact C-N 3.33Å; I330-S332 PolarHBondContact O-N 3.18Å; S332-V334 VanDerWaalsContact C-N 3.34Å; S332-V334 PolarHBondContact O-N 3.31Å; S332-N335 WeakPolarHBondContact O-CB 3.49Å; S332-N335 PolarHBondContact O-N 3.38Å; S332-I336 WeakPolarHBondContact O-CG1 3.27Å; S332-I336 PolarHBondContact O-N 2.9Å
333A86.4Confident85.8Confident0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-57.6-45.5177.900000111.8Q329 I330 N335 I336 I337 L433 L438 V442 F444Q329-A333 WeakPolarHBondContact O-CB 3.47Å; Q329-A333 PolarHBondContact O-N 3.49Å; I330-A333 PolarHBondContact O-N 3.47Å; A333-N335 VanDerWaalsContact C-N 3.3Å; A333-N335 PolarHBondContact O-N 3.02Å; A333-I336 WeakPolarHBondContact O-CB 3.44Å; A333-I336 PolarHBondContact O-N 3.39Å; A333-I337 PolarHBondContact O-N 3.37Å; A333-L433 HydrophobicContact CB-CD2 4.16Å; A333-L438 HydrophobicContact CB-CD1 3.91Å; A333-L438 HydrophobicContact CB-CD2 4.18Å; A333-V442 HydrophobicContact CB-CB 4.22Å; A333-V442 HydrophobicContact CB-CG1 4.41Å; A333-V442 HydrophobicContact CB-CG2 4.02Å; A333-F444 HydrophobicContact CB-CE2 4.09Å; A333-F444 HydrophobicContact CB-CZ 3.76Å
334V89.3Confident86.2Confident3 Ų350.2 Ų50.22%0.01825%0.251CS..Hα-helixtrans-65.4-35.6177.4174.80000111.3I330 S332 R338 R357 A373 L375 F444I330-V334 HydrophobicContact CG2-CG2 4.02Å; I330-V334 WeakPolarHBondContact O-CB 3.44Å; I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3Å; S332-V334 VanDerWaalsContact C-N 3.34Å; S332-V334 PolarHBondContact O-N 3.31Å; V334-R338 WeakPolarHBondContact O-CB 3.4Å; V334-R338 PolarHBondContact O-N 3.08Å; V334-R357 HydrophobicContact CG1-CG 4.15Å; V334-A373 HydrophobicContact CG2-CB 3.79Å; V334-L375 HydrophobicContact CG1-CD1 4.5Å; V334-L375 HydrophobicContact CG1-CD2 3.73Å; V334-F444 HydrophobicContact CB-CE1 4.35Å; V334-F444 HydrophobicContact CG2-CE1 3.73Å; V334-F444 HydrophobicContact CG2-CZ 4.11Å
335N89.9Confident86.5Confident70 Ų7042.8 Ų42.837%0.37422%0.219SC..Hα-helixtrans-65.6-41.9176.1-74.2-22.5000111.3D331 S332 A333 I337 R338 T339D331-N335 WeakPolarHBondContact O-CB 3.43Å; D331-N335 PolarHBondContact O-N 3.06Å; D331-N335 PolarHBondContact O-ND2 2.94Å; S332-N335 WeakPolarHBondContact O-CB 3.49Å; S332-N335 PolarHBondContact O-N 3.38Å; A333-N335 VanDerWaalsContact C-N 3.3Å; A333-N335 PolarHBondContact O-N 3.02Å; N335-I337 PolarHBondContact O-N 3.01Å; N335-R338 PolarHBondContact O-N 2.96Å; N335-R338 PolarHBondContact OD1-NH1 3.49Å; N335-T339 WeakPolarHBondContact O-CB 3.34Å; N335-T339 PolarHBondContact O-N 3.02Å; N335-T339 PolarHBondContact O-OG1 2.89Å
336I88.4Confident87Confident50 Ų5041 Ų4126%0.25621%0.205SC..Hα-helixtrans-54.8-53.4174.2-65.7167000110.4S332 A333 R338 T339 F340S332-I336 WeakPolarHBondContact O-CG1 3.27Å; S332-I336 PolarHBondContact O-N 2.9Å; A333-I336 WeakPolarHBondContact O-CB 3.44Å; A333-I336 PolarHBondContact O-N 3.39Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.35Å; I336-T339 PolarHBondContact O-N 3.13Å; I336-F340 PolarHBondContact O-N 2.86Å
337I90.6Very high87Confident2 Ų249.2 Ų49.21%0.0124%0.235CC..Hα-helixtrans-65.9-38.2-179.1-59.1-55.5000111.7A333 N335 F340 L341 L375 L403 W407 F431 L433 F444A333-I337 PolarHBondContact O-N 3.37Å; N335-I337 PolarHBondContact O-N 3.01Å; I337-F340 PolarHBondContact O-N 3.05Å; I337-L341 HydrophobicContact CG2-CD1 3.97Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CB 3.29Å; I337-L341 VanDerWaalsContact O-CG 3.3Å; I337-L341 WeakPolarHBondContact O-CG 3.42Å; I337-L341 PolarHBondContact O-N 3.28Å; I337-L375 HydrophobicContact CB-CD1 4.09Å; I337-L375 HydrophobicContact CG2-CD1 3.59Å; I337-L403 HydrophobicContact CD1-CD1 4.47Å; I337-W407 HydrophobicContact CD1-CZ2 3.83Å; I337-F431 HydrophobicContact CD1-CE2 3.79Å; I337-F431 HydrophobicContact CD1-CZ 3.77Å; I337-F431 HydrophobicContact CG1-CE2 4.29Å; I337-F431 HydrophobicContact CG1-CZ 4.09Å; I337-F431 HydrophobicContact CG2-CZ 4.29Å; I337-L433 HydrophobicContact CD1-CD2 4.29Å; I337-L433 HydrophobicContact CG1-CD2 4.42Å; I337-F444 HydrophobicContact CB-CE1 4.33Å; I337-F444 HydrophobicContact CG1-CD1 4.24Å; I337-F444 HydrophobicContact CG1-CD2 4.44Å; I337-F444 HydrophobicContact CG1-CE1 3.94Å; I337-F444 HydrophobicContact CG1-CE2 4.16Å; I337-F444 HydrophobicContact CG1-CG 4.48Å; I337-F444 HydrophobicContact CG1-CZ 3.91Å
338R91.3Very high86.7Confident60 Ų6055.1 Ų55.123%0.22626%0.261CS..Hα-helixtrans-62.9-44.2176.7-178.7-173.1-70.5149.7-8.7111.6V334 N335 I336 L341 K342 I355V334-R338 WeakPolarHBondContact O-CB 3.4Å; V334-R338 PolarHBondContact O-N 3.08Å; N335-R338 PolarHBondContact O-N 2.96Å; N335-R338 PolarHBondContact OD1-NH1 3.49Å; I336-R338 VanDerWaalsContact C-N 3.35Å; I336-R338 PolarHBondContact O-N 3.35Å; R338-L341 PolarHBondContact O-N 3.48Å; R338-K342 HydrophobicContact CG-CD 4.27Å; R338-K342 WeakPolarHBondContact O-CB 3.27Å; R338-K342 WeakPolarHBondContact O-CG 3.39Å; R338-K342 PolarHBondContact O-N 3.33Å; R338-I355 HydrophobicContact CG-CD1 3.97Å
339T90.2Very high86.3Confident58 Ų5853.1 Ų53.136%0.35626%0.258SS..Hα-helixtrans-64.1-45.6176.9-62.20000110.2N335 I336 L341 K342 E343N335-T339 WeakPolarHBondContact O-CB 3.34Å; N335-T339 PolarHBondContact O-N 3.02Å; N335-T339 PolarHBondContact O-OG1 2.89Å; I336-T339 PolarHBondContact O-N 3.13Å; T339-L341 PolarHBondContact O-N 2.97Å; T339-K342 PolarHBondContact O-N 2.87Å; T339-E343 HydrophobicContact CG2-CG 4.41Å; T339-E343 VanDerWaalsContact CG2-OE2 3.32Å; T339-E343 WeakPolarHBondContact CG2-OE2 3.28Å; T339-E343 WeakPolarHBondContact O-CB 3.49Å; T339-E343 PolarHBondContact O-N 2.98Å
340F91.1Very high86Confident2 Ų258.7 Ų58.71%0.00929%0.294CS..Hα-helixtrans-53.5-53.2172.4164.4-93.8000111.7I336 I337 K342 E343 N344 C345 Q402 L403 F406I336-F340 PolarHBondContact O-N 2.86Å; I337-F340 PolarHBondContact O-N 3.05Å; F340-K342 VanDerWaalsContact C-N 3.31Å; F340-K342 PolarHBondContact O-N 2.85Å; F340-E343 PolarHBondContact O-N 3.21Å; F340-N344 HydrophobicContact CD2-CB 3.71Å; F340-N344 HydrophobicContact CE2-CB 4Å; F340-N344 WeakPolarHBondContact O-CA 3.31Å; F340-N344 WeakPolarHBondContact O-CB 3.15Å; F340-N344 PolarHBondContact O-N 3.31Å; F340-C345 HydrophobicContact CD1-CB 4.23Å; F340-C345 HydrophobicContact CE1-CB 3.55Å; F340-C345 HydrophobicContact CE2-CB 4.34Å; F340-C345 HydrophobicContact CZ-CB 3.62Å; F340-C345 PolarHBondContact O-N 3.07Å; F340-Q402 HydrophobicContact CE2-CB 4.46Å; F340-Q402 HydrophobicContact CZ-CB 3.9Å; F340-L403 HydrophobicContact CD1-CD1 3.17Å; F340-L403 HydrophobicContact CD1-CG 4.43Å; F340-L403 HydrophobicContact CD2-CD1 4Å; F340-L403 HydrophobicContact CE1-CB 3.81Å; F340-L403 HydrophobicContact CE1-CD1 3.14Å; F340-L403 HydrophobicContact CE1-CG 4Å; F340-L403 HydrophobicContact CE2-CB 4.35Å; F340-L403 HydrophobicContact CE2-CD1 3.96Å; F340-L403 HydrophobicContact CG-CD1 3.63Å; F340-L403 VanDerWaalsContact CZ-CA 3.41Å; F340-L403 HydrophobicContact CZ-CB 3.62Å; F340-L403 HydrophobicContact CZ-CD1 3.56Å; F340-L403 HydrophobicContact CZ-CG 4.16Å; F340-F406 HydrophobicContact CB-CE1 4.36Å; F340-F406 HydrophobicContact CD2-CB 3.77Å; F340-F406 AromaticContact CD2-CD1 3.58Å; F340-F406 HydrophobicContact CD2-CD1 3.58Å; F340-F406 AromaticContact CD2-CD2 3.89Å; F340-F406 HydrophobicContact CD2-CD2 3.89Å; F340-F406 HydrophobicContact CD2-CE1 4.11Å; F340-F406 HydrophobicContact CD2-CE2 4.37Å; F340-F406 AromaticContact CD2-CG 3.46Å; F340-F406 HydrophobicContact CD2-CG 3.46Å; F340-F406 VanDerWaalsContact CD2-CG 3.46Å; F340-F406 HydrophobicContact CD2-CZ 4.48Å; F340-F406 HydrophobicContact CE2-CB 3.54Å; F340-F406 HydrophobicContact CE2-CD1 4.22Å; F340-F406 HydrophobicContact CE2-CD2 4.37Å; F340-F406 AromaticContact CE2-CG 3.81Å; F340-F406 HydrophobicContact CE2-CG 3.81Å; F340-F406 HydrophobicContact CG-CD1 4.33Å
341L91.7Very high85.6Confident2 Ų259.4 Ų59.41%0.0130%0.301CS..Hα-helixtrans-60.4-41.5-177.2-74.5170000111.8I337 R338 T339 C345 I353 I355 L375 V377 I399 V446I337-L341 HydrophobicContact CG2-CD1 3.97Å; I337-L341 HydrophobicContact CG2-CG 4.3Å; I337-L341 WeakPolarHBondContact O-CB 3.29Å; I337-L341 VanDerWaalsContact O-CG 3.3Å; I337-L341 WeakPolarHBondContact O-CG 3.42Å; I337-L341 PolarHBondContact O-N 3.28Å; R338-L341 PolarHBondContact O-N 3.48Å; T339-L341 PolarHBondContact O-N 2.97Å; L341-C345 HydrophobicContact CD2-CB 4.32Å; L341-C345 WeakPolarHBondContact O-CB 3.3Å; L341-I353 VanDerWaalsContact C-CD1 3.47Å; L341-I353 HydrophobicContact CB-CD1 4.02Å; L341-I353 WeakPolarHBondContact O-CD1 3.45Å; L341-I355 HydrophobicContact CB-CD1 3.54Å; L341-I355 HydrophobicContact CD1-CD1 3.9Å; L341-I355 HydrophobicContact CD1-CG1 4.49Å; L341-I355 HydrophobicContact CG-CD1 4.39Å; L341-L375 HydrophobicContact CD1-CD1 4.49Å; L341-V377 HydrophobicContact CD1-CG2 3.93Å; L341-I399 HydrophobicContact CD2-CD1 4.23Å; L341-I399 HydrophobicContact CD2-CG1 4.19Å; L341-I399 HydrophobicContact CD2-CG2 3.9Å; L341-V446 HydrophobicContact CD1-CG1 4.44Å
342K89.1Confident85.4Confident126 Ų12664.3 Ų64.355%0.54832%0.319SS..Hα-helixtrans-75.4-40.7-177.8-74.5-177.1175.6-171.60113.9R338 T339 F340 I353 I355R338-K342 HydrophobicContact CG-CD 4.27Å; R338-K342 WeakPolarHBondContact O-CB 3.27Å; R338-K342 WeakPolarHBondContact O-CG 3.39Å; R338-K342 PolarHBondContact O-N 3.33Å; T339-K342 PolarHBondContact O-N 2.87Å; F340-K342 VanDerWaalsContact C-N 3.31Å; F340-K342 PolarHBondContact O-N 2.85Å; K342-I353 HydrophobicContact CG-CD1 4.31Å; K342-I355 HydrophobicContact CG-CD1 3.82Å
343E87.8Confident85.5Confident117 Ų11763.7 Ų63.755%0.54731%0.311SS..Hα-helixtrans-108.5-21-165.3-62.4175.8-170.300113.4T339 F340 R347T339-E343 HydrophobicContact CG2-CG 4.41Å; T339-E343 VanDerWaalsContact CG2-OE2 3.32Å; T339-E343 WeakPolarHBondContact CG2-OE2 3.28Å; T339-E343 WeakPolarHBondContact O-CB 3.49Å; T339-E343 PolarHBondContact O-N 2.98Å; F340-E343 PolarHBondContact O-N 3.21Å; E343-R347 WeakPolarHBondContact O-CD 3.31Å; E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-NE 3.03Å
344N86.5Confident85.7Confident25 Ų2568 Ų6813%0.13433%0.332CS..THydrogen-bonded Turntrans-120.2-44.5-170.5-61.7-92.9000112.3F340 F346 R347 F406F340-N344 HydrophobicContact CD2-CB 3.71Å; F340-N344 HydrophobicContact CE2-CB 4Å; F340-N344 WeakPolarHBondContact O-CA 3.31Å; F340-N344 WeakPolarHBondContact O-CB 3.15Å; F340-N344 PolarHBondContact O-N 3.31Å; N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 3.41Å; N344-R347 PolarHBondContact OD1-NH2 3.15Å; N344-F406 HydrophobicContact CB-CD2 4.21Å; N344-F406 HydrophobicContact CB-CE2 4.47Å
345C88.6Confident85.8Confident0 Ų069 Ų690%034%0.336CS..THydrogen-bonded Turntrans-62.7-32.4-169.4-170.70000114.8F340 L341 Q402F340-C345 HydrophobicContact CD1-CB 4.23Å; F340-C345 HydrophobicContact CE1-CB 3.55Å; F340-C345 HydrophobicContact CE2-CB 4.34Å; F340-C345 HydrophobicContact CZ-CB 3.62Å; F340-C345 PolarHBondContact O-N 3.07Å; L341-C345 HydrophobicContact CD2-CB 4.32Å; L341-C345 WeakPolarHBondContact O-CB 3.3Å; C345-Q402 WeakPolarHBondContact O-CG 3.21Å
346F86.9Confident85.9Confident24 Ų2466.2 Ų66.211%0.10532%0.322CS..THydrogen-bonded Turntrans-126.328.7-174.2-58.5-72.2000112.6N344 Q348 S349 I353 H379 I395 E398 I399N344-F346 VanDerWaalsContact C-N 3.33Å; N344-F346 PolarHBondContact O-N 3.41Å; F346-Q348 PolarHBondContact O-N 2.8Å; F346-Q348 VanDerWaalsContact O-N 3.1Å; F346-S349 WeakPolarHBondContact O-CB 3.4Å; F346-S349 PolarHBondContact O-N 2.86Å; F346-S349 VanDerWaalsContact O-O 3.09Å; F346-I353 HydrophobicContact CD2-CD1 4.16Å; F346-I353 HydrophobicContact CD2-CG2 3.91Å; F346-I353 HydrophobicContact CE2-CD1 4.24Å; F346-I353 HydrophobicContact CE2-CG2 3.93Å; F346-H379 AromaticContact CE1-NE2 3.87Å; F346-H379 AromaticContact CZ-CD2 3.87Å; F346-I395 HydrophobicContact CE1-CG2 4.45Å; F346-I395 HydrophobicContact CZ-CG2 4.09Å; F346-E398 HydrophobicContact CD1-CG 4.25Å; F346-E398 HydrophobicContact CE1-CG 3.91Å; F346-I399 HydrophobicContact CE1-CG1 4.48Å; F346-I399 HydrophobicContact CE2-CG1 4.36Å; F346-I399 HydrophobicContact CZ-CD1 4.17Å; F346-I399 HydrophobicContact CZ-CG1 3.68Å
347R77.8Confident86Confident182 Ų18266.6 Ų66.669%0.68732%0.32SS*.THydrogen-bonded Turntrans-53.6-33-176.1-79.5178173.5171.80.2114.6E343 N344 S349E343-R347 WeakPolarHBondContact O-CD 3.31Å; E343-R347 WeakPolarHBondContact O-CG 3.43Å; E343-R347 PolarHBondContact O-NE 3.03Å; N344-R347 PolarHBondContact OD1-NH2 3.15Å; R347-S349 VanDerWaalsContact C-N 3.3Å
348Q75.3Confident85.8Confident194 Ų19466.7 Ų66.791%0.90732%0.322SS*.THydrogen-bonded Turntrans-88.72.1-178.8-61.1-179.2-2.200112.9F346F346-Q348 PolarHBondContact O-N 2.8Å; F346-Q348 VanDerWaalsContact O-N 3.1Å
349S75.4Confident85.5Confident61 Ų6164.4 Ų64.443%0.42732%0.317SS..SBendtrans-118.6145.3-176.4-179.50000110.9F346 R347 A351F346-S349 WeakPolarHBondContact O-CB 3.4Å; F346-S349 PolarHBondContact O-N 2.86Å; F346-S349 VanDerWaalsContact O-O 3.09Å; R347-S349 VanDerWaalsContact C-N 3.3Å; S349-A351 PolarHBondContact O-N 2.7Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.98Å; S349-A351 VanDerWaalsContact OG-N 3.16Å
350T73.6Confident85.4Confident141 Ų14163.5 Ų63.587%0.86531%0.313SS*.  trans-79.710.7169.955.30000112.5K352T350-K352 PolarHBondContact O-N 3.46Å
351A74.9Confident85.1Confident19 Ų1965.1 Ų65.116%0.15732%0.323CS..  trans-63.3125.2-178.300000112.3S349 H379 N380S349-A351 PolarHBondContact O-N 2.7Å; S349-A351 WeakPolarHBondContact OG-CB 3.45Å; S349-A351 PolarHBondContact OG-N 2.98Å; S349-A351 VanDerWaalsContact OG-N 3.16Å; A351-H379 VanDerWaalsContact CB-CE1 3.47Å; A351-H379 WeakPolarHBondContact CB-CE1 3.29Å; A351-H379 WeakPolarHBondContact CB-NE2 3.3Å; A351-N380 WeakPolarHBondContact CA-OD1 3.46Å
352K81.5Confident84.9Confident167 Ų16765.8 Ų65.873%0.72633%0.329SS*.  trans-86.8129.4168-64.5-177.2-179.5179.90108.5T350 N380T350-K352 PolarHBondContact O-N 3.46Å; K352-N380 HydrophobicContact CB-CB 4.36Å; K352-N380 VanDerWaalsContact N-CG 3.33Å; K352-N380 PolarHBondContact N-ND2 2.95Å; K352-N380 WeakPolarHBondContact O-CB 3.39Å; K352-N380 PolarHBondContact O-N 3.21Å; K352-N380 VanDerWaalsContact O-N 3.11Å
353I88.7Confident85Confident34 Ų3460.7 Ų60.717%0.17431%0.307CS..EExtended strand (participates in β ladder)trans-117.9141.9175.567.7166.4000111.7L341 K342 F346 I355 V377 F378L341-I353 VanDerWaalsContact C-CD1 3.47Å; L341-I353 HydrophobicContact CB-CD1 4.02Å; L341-I353 WeakPolarHBondContact O-CD1 3.45Å; K342-I353 HydrophobicContact CG-CD1 4.31Å; F346-I353 HydrophobicContact CD2-CD1 4.16Å; F346-I353 HydrophobicContact CD2-CG2 3.91Å; F346-I353 HydrophobicContact CE2-CD1 4.24Å; F346-I353 HydrophobicContact CE2-CG2 3.93Å; I353-I355 HydrophobicContact CD1-CD1 3.93Å; I353-I355 HydrophobicContact CD1-CG1 4.16Å; I353-V377 HydrophobicContact CB-CG1 4.34Å; I353-V377 HydrophobicContact CG2-CG1 4.41Å; I353-F378 WeakPolarHBondContact CA-O 3.45Å
354Q90.4Very high85.1Confident92 Ų9256.3 Ų56.343%0.4329%0.293SS..EExtended strand (participates in β ladder)trans-118.6130.8167.6174.1-176.21.600108.4F378 N451Q354-F378 HydrophobicContact CB-CB 4.1Å; Q354-F378 HydrophobicContact CB-CD2 4.43Å; Q354-F378 HydrophobicContact CG-CD2 4.25Å; Q354-F378 PolarHBondContact N-O 3.5Å; Q354-F378 WeakPolarHBondContact O-CB 3.32Å; Q354-F378 PolarHBondContact O-N 2.9Å; Q354-N451 PolarHBondContact OE1-ND2 3.16Å
355I92.3Very high85.3Confident22 Ų2255.1 Ų55.111%0.11329%0.287CS..EExtended strand (participates in β ladder)trans-113.6125.5-175.8-56.2167.1000108.8R338 L341 K342 I353 L375 V376R338-I355 HydrophobicContact CG-CD1 3.97Å; L341-I355 HydrophobicContact CB-CD1 3.54Å; L341-I355 HydrophobicContact CD1-CD1 3.9Å; L341-I355 HydrophobicContact CD1-CG1 4.49Å; L341-I355 HydrophobicContact CG-CD1 4.39Å; K342-I355 HydrophobicContact CG-CD1 3.82Å; I353-I355 HydrophobicContact CD1-CD1 3.93Å; I353-I355 HydrophobicContact CD1-CG1 4.16Å; I355-L375 HydrophobicContact CG2-CB 4.44Å; I355-L375 HydrophobicContact CG2-CD2 4.42Å; I355-V376 WeakPolarHBondContact CA-O 3.49Å
356V91.2Very high85.2Confident12 Ų1255.5 Ų55.57%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-118.2132.2177.2172.80000109.5G358 V376 F378 V490V356-G358 PolarHBondContact O-N 3.39Å; V356-V376 PolarHBondContact N-O 3.29Å; V356-V376 PolarHBondContact O-N 3.38Å; V356-F378 HydrophobicContact CB-CE2 4.2Å; V356-F378 HydrophobicContact CG2-CD2 4.13Å; V356-F378 HydrophobicContact CG2-CE2 3.73Å; V356-V490 HydrophobicContact CG1-CG2 3.86Å; V356-V490 HydrophobicContact CG2-CG2 4.1Å
357R90.5Very high85.2Confident58 Ų5854.7 Ų54.722%0.21929%0.287CS..EExtended strand (participates in β ladder)trans-74.9123.7168.7-66.2-177.8179.7175.2-7.8109.3D331 V334 A362 L375D331-R357 IonicContact OD1-CZ 3.24Å; D331-R357 VanDerWaalsContact OD1-CZ 3.24Å; D331-R357 IonicContact OD1-NH1 3.41Å; D331-R357 PolarHBondContact OD1-NH1 3.41Å; D331-R357 IonicContact OD1-NH2 3.21Å; D331-R357 PolarHBondContact OD1-NH2 3.43Å; V334-R357 HydrophobicContact CG1-CG 4.15Å; R357-A362 HydrophobicContact CB-CB 3.9Å; R357-A362 WeakPolarHBondContact O-CB 3.46Å; R357-L375 HydrophobicContact CG-CD2 3.94Å
358G86.8Confident85.1Confident4 Ų448.9 Ų48.94%0.04127%0.266CS..  trans-106.8-160.6172.800000112.1V356 A362 D374V356-G358 PolarHBondContact O-N 3.39Å; G358-A362 WeakPolarHBondContact O-CB 3.34Å; G358-A362 PolarHBondContact O-N 2.93Å; G358-D374 PolarHBondContact N-O 2.9Å
359G86Confident84.6Confident12 Ų1240.9 Ų40.912%0.12423%0.231CC..Hα-helixtrans68.9-170.717000000115.8T361 A362 K363 D374G359-T361 VanDerWaalsContact C-N 3.33Å; G359-T361 PolarHBondContact O-N 3.32Å; G359-A362 PolarHBondContact O-N 3.42Å; G359-K363 WeakPolarHBondContact O-CB 3.42Å; G359-K363 WeakPolarHBondContact O-CD 3.28Å; G359-K363 WeakPolarHBondContact O-CG 3.37Å; G359-K363 PolarHBondContact O-N 2.93Å; G359-K363 VanDerWaalsContact O-N 3.1Å; G359-D374 WeakPolarHBondContact CA-OD2 3.38Å; G359-D374 PolarHBondContact N-OD2 2.92Å
360S86.4Confident84Confident40 Ų4039.9 Ų39.928%0.2823%0.23SC..Hα-helixtrans-61.5-39-173.9-56.20000112.8K363 G364 T365 A366 K511S360-K363 PolarHBondContact O-N 3.16Å; S360-G364 PolarHBondContact O-N 3.46Å; S360-T365 CarbonylContact O-C 3.31Å; S360-T365 PolarHBondContact O-N 3.48Å; S360-A366 PolarHBondContact O-N 3.45Å; S360-A366 VanDerWaalsContact O-N 3.13Å; S360-K511 VanDerWaalsContact CB-NZ 3.35Å; S360-K511 PolarHBondContact OG-NZ 2.95Å
361T85.5Confident83.2Confident35 Ų3533.6 Ų33.622%0.21519%0.192CC..Hα-helixtrans-65-46.9-179.6-540000111.1I330 G359 K363 G364 D372I330-T361 HydrophobicContact CG2-CG2 4.12Å; G359-T361 VanDerWaalsContact C-N 3.33Å; G359-T361 PolarHBondContact O-N 3.32Å; T361-K363 VanDerWaalsContact C-N 3.34Å; T361-K363 PolarHBondContact O-N 2.87Å; T361-G364 PolarHBondContact O-N 3.4Å; T361-G364 VanDerWaalsContact O-N 3.16Å; T361-D372 PolarHBondContact OG1-O 3.04Å
362A88.1Confident83.2Confident17 Ų1736.5 Ų36.514%0.1421%0.205CC..Hα-helixtrans-70.6-30.5179.500000113.4R357 G358 G359 G364 R493R357-A362 HydrophobicContact CB-CB 3.9Å; R357-A362 WeakPolarHBondContact O-CB 3.46Å; G358-A362 WeakPolarHBondContact O-CB 3.34Å; G358-A362 PolarHBondContact O-N 2.93Å; G359-A362 PolarHBondContact O-N 3.42Å; A362-G364 VanDerWaalsContact C-N 3.26Å; A362-R493 HydrophobicContact CB-CG 4Å; A362-R493 WeakPolarHBondContact O-CG 3.24Å
363K90.6Very high83.3Confident19 Ų1928.8 Ų28.88%0.08317%0.172CC..Hα-helixtrans-72.3-19.4173.3-70.9166.1172.5-170.50112.7G359 S360 T361 I496 E534G359-K363 WeakPolarHBondContact O-CB 3.42Å; G359-K363 WeakPolarHBondContact O-CD 3.28Å; G359-K363 WeakPolarHBondContact O-CG 3.37Å; G359-K363 PolarHBondContact O-N 2.93Å; G359-K363 VanDerWaalsContact O-N 3.1Å; S360-K363 PolarHBondContact O-N 3.16Å; T361-K363 VanDerWaalsContact C-N 3.34Å; T361-K363 PolarHBondContact O-N 2.87Å; K363-I496 HydrophobicContact CB-CB 4.13Å; K363-I496 HydrophobicContact CB-CG2 3.93Å; K363-I496 HydrophobicContact CD-CD1 3.7Å; K363-I496 HydrophobicContact CG-CB 4.15Å; K363-I496 HydrophobicContact CG-CD1 4.2Å; K363-I496 HydrophobicContact CG-CG2 4.43Å; K363-E534 IonicContact NZ-OE2 3.77Å; K363-E534 PolarHBondContact NZ-OE2 2.81Å
364G89.5Confident83.4Confident25 Ų2529.2 Ų29.226%0.25818%0.175SC..THydrogen-bonded Turntrans76.127.8-174.300000113.4S360 T361 A362 R508S360-G364 PolarHBondContact O-N 3.46Å; T361-G364 PolarHBondContact O-N 3.4Å; T361-G364 VanDerWaalsContact O-N 3.16Å; A362-G364 VanDerWaalsContact C-N 3.26Å; G364-R508 PolarHBondContact O-NH2 3.2Å
365T90.9Very high83.6Confident0 Ų024.9 Ų24.90%016%0.155CC..  trans-124.521.5178.562.40000111.9S360 I496 K504 I507 K511S360-T365 CarbonylContact O-C 3.31Å; S360-T365 PolarHBondContact O-N 3.48Å; T365-I496 HydrophobicContact CG2-CG2 3.69Å; T365-K504 HydrophobicContact CG2-CB 4.08Å; T365-K504 HydrophobicContact CG2-CG 3.97Å; T365-I507 HydrophobicContact CG2-CB 4.19Å; T365-I507 HydrophobicContact CG2-CD1 4.19Å; T365-I507 HydrophobicContact CG2-CG2 3.81Å; T365-K511 PolarHBondContact O-NZ 2.94Å; T365-K511 PolarHBondContact OG1-NZ 3.39Å
366A88Confident83.7Confident8 Ų823.9 Ų23.97%0.06615%0.15CC..  trans-60.9141.217100000110.4P322 S360 R508P322-A366 VanDerWaalsContact CD-O 3.23Å; P322-A366 WeakPolarHBondContact CD-O 3.39Å; P322-A366 HydrophobicContact CG-CB 4.03Å; P322-A366 WeakPolarHBondContact CG-O 3.38Å; S360-A366 PolarHBondContact O-N 3.45Å; S360-A366 VanDerWaalsContact O-N 3.13Å; A366-R508 PolarHBondContact O-NE 3.12Å
367L86.4Confident83.9Confident7 Ų723.3 Ų23.34%0.03715%0.146CC..  trans-84.4154.4168-67.7172.9000108.5L320 T369 R508 K511 H512 K515L320-L367 HydrophobicContact CB-CD2 4.07Å; L320-L367 HydrophobicContact CD2-CD2 4.4Å; L320-L367 CarbonylContact O-C 3.59Å; L320-L367 WeakPolarHBondContact O-CA 3.49Å; L367-T369 PolarHBondContact O-N 3.42Å; L367-T369 VanDerWaalsContact O-N 3.07Å; L367-R508 HydrophobicContact CD2-CB 3.77Å; L367-R508 HydrophobicContact CD2-CG 4.09Å; L367-R508 WeakPolarHBondContact CD2-O 3.34Å; L367-K511 HydrophobicContact CD1-CB 4.31Å; L367-H512 HydrophobicContact CD2-CB 4.41Å; L367-K515 HydrophobicContact CD1-CD 3.84Å
368K76.1Confident84.1Confident59 Ų5921 Ų2126%0.25714%0.138SC..SBendtrans-55.7-21.3170-167.3-177.6-179.4-173.90112.3E318 F319 L320 Q321E318-K368 PolarHBondContact O-NZ 3.32Å; E318-K368 VanDerWaalsContact O-NZ 3.12Å; F319-K368 WeakPolarHBondContact O-CB 3.43Å; F319-K368 WeakPolarHBondContact O-CD 3.5Å; L320-K368 PolarHBondContact O-N 3.01Å; Q321-K368 WeakPolarHBondContact O-CB 3.38Å
369T64.9Low84.4Confident26 Ų2621.6 Ų21.616%0.1614%0.139CC..SBendtrans-126.3125.3-173.296.80000110N298 L367 K515N298-T369 HydrophobicContact CB-CG2 4.15Å; N298-T369 VanDerWaalsContact ND2-CB 3.32Å; N298-T369 WeakPolarHBondContact ND2-CB 3.41Å; N298-T369 WeakPolarHBondContact ND2-CG2 3.27Å; N298-T369 VanDerWaalsContact OD1-CG2 3.26Å; N298-T369 WeakPolarHBondContact OD1-CG2 3.44Å; L367-T369 PolarHBondContact O-N 3.42Å; L367-T369 VanDerWaalsContact O-N 3.07Å; T369-K515 PolarHBondContact O-NZ 3.37Å
370G61.6Low84.6Confident41 Ų4123.8 Ų23.842%0.42315%0.148SC..  trans99.274.3-172.400000112D372G370-D372 PolarHBondContact O-N 3.2Å
371S57.4Low84.8Confident9 Ų924 Ų246%0.06315%0.149CC..  trans-69.774.5177.9-53.40000110.7F326 V442 S443F326-S371 WeakPolarHBondContact CE2-OG 3.35Å; F326-S371 WeakPolarHBondContact CZ-OG 3.43Å; S371-V442 CarbonylContact O-C 3.29Å; S371-S443 WeakPolarHBondContact O-CA 3.21Å; S371-S443 PolarHBondContact O-N 3.24Å
372D74Confident85.1Confident79 Ų7922.5 Ų22.542%0.42214%0.141SC..EExtended strand (participates in β ladder)trans-105.4126.6178.5-54.1-30.4000109.6T361 G370 S443T361-D372 PolarHBondContact OG1-O 3.04Å; G370-D372 PolarHBondContact O-N 3.2Å; D372-S443 CarbonylContact C-O 3.58Å; D372-S443 WeakPolarHBondContact CA-O 3.34Å; D372-S443 VanDerWaalsContact OD1-CB 3.28Å; D372-S443 WeakPolarHBondContact OD1-CB 3.38Å
373A84.8Confident85.3Confident5 Ų528.9 Ų28.94%0.04117%0.165CC..EExtended strand (participates in β ladder)trans-121.1107.9178.600000111.1V334 V442 S443 F444 D445V334-A373 HydrophobicContact CG2-CB 3.79Å; A373-V442 HydrophobicContact CB-CG1 4.33Å; A373-S443 PolarHBondContact N-O 2.91Å; A373-F444 HydrophobicContact CB-CD1 3.69Å; A373-F444 HydrophobicContact CB-CE1 3.58Å; A373-F444 HydrophobicContact CB-CG 4.42Å; A373-F444 HydrophobicContact CB-CZ 4.21Å; A373-F444 WeakPolarHBondContact O-CA 3.4Å; A373-D445 PolarHBondContact O-N 2.94Å; A373-D445 VanDerWaalsContact O-N 3.1Å
374D90.9Very high85.5Confident43 Ų4330.1 Ų30.123%0.2318%0.176CC..EExtended strand (participates in β ladder)trans-87124.3177.3-53.2-16.6000109.9G358 G359 D445G358-D374 PolarHBondContact N-O 2.9Å; G359-D374 WeakPolarHBondContact CA-OD2 3.38Å; G359-D374 PolarHBondContact N-OD2 2.92Å; D374-D445 CarbonylContact C-O 3.58Å; D374-D445 WeakPolarHBondContact CA-O 3.43Å
375L94.4Very high85.7Confident1 Ų129.9 Ų29.91%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-118.2110.2176.7-60.8-179000110V334 I337 L341 I355 R357 F444 D445 V446 L447V334-L375 HydrophobicContact CG1-CD1 4.5Å; V334-L375 HydrophobicContact CG1-CD2 3.73Å; I337-L375 HydrophobicContact CB-CD1 4.09Å; I337-L375 HydrophobicContact CG2-CD1 3.59Å; L341-L375 HydrophobicContact CD1-CD1 4.49Å; I355-L375 HydrophobicContact CG2-CB 4.44Å; I355-L375 HydrophobicContact CG2-CD2 4.42Å; R357-L375 HydrophobicContact CG-CD2 3.94Å; L375-F444 HydrophobicContact CD1-CD1 3.97Å; L375-F444 HydrophobicContact CD1-CE1 4.11Å; L375-F444 HydrophobicContact CG-CD1 4.35Å; L375-D445 PolarHBondContact N-O 3.18Å; L375-V446 HydrophobicContact CB-CG2 4.43Å; L375-V446 CarbonylContact O-C 3.52Å; L375-V446 WeakPolarHBondContact O-CA 3.32Å; L375-L447 PolarHBondContact O-N 2.72Å
376V94.9Very high85.8Confident1 Ų133 Ų331%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-85.7123.9172.6-179.90000109.1I355 V356 F378 L447 A449 T489I355-V376 WeakPolarHBondContact CA-O 3.49Å; V356-V376 PolarHBondContact N-O 3.29Å; V356-V376 PolarHBondContact O-N 3.38Å; V376-F378 HydrophobicContact CG1-CD1 4.39Å; V376-F378 HydrophobicContact CG1-CE1 3.94Å; V376-F378 HydrophobicContact CG1-CE2 4.09Å; V376-F378 HydrophobicContact CG1-CZ 3.78Å; V376-L447 WeakPolarHBondContact CA-O 3.36Å; V376-L447 HydrophobicContact CG2-CB 4.35Å; V376-L447 HydrophobicContact CG2-CD1 4.46Å; V376-A449 HydrophobicContact CG1-CB 3.76Å; V376-T489 HydrophobicContact CG2-CG2 3.88Å
377V95.1Very high86Confident0 Ų033.2 Ų33.20%019%0.188CC..EExtended strand (participates in β ladder)trans-108.3103-178.9-176.50000108.9L341 I353 H379 V446 L447 P448 A449L341-V377 HydrophobicContact CD1-CG2 3.93Å; I353-V377 HydrophobicContact CB-CG1 4.34Å; I353-V377 HydrophobicContact CG2-CG1 4.41Å; V377-H379 PolarHBondContact O-N 3.49Å; V377-V446 HydrophobicContact CG2-CG1 3.58Å; V377-L447 PolarHBondContact N-O 2.88Å; V377-P448 VanDerWaalsContact O-CA 3.29Å; V377-P448 WeakPolarHBondContact O-CA 3.36Å; V377-A449 PolarHBondContact O-N 3.14Å
378F94.6Very high86.3Confident9 Ų932.9 Ų32.94%0.03919%0.186CC..EExtended strand (participates in β ladder)trans-78.9101.1171.1-65.2-61.1000109.5I353 Q354 V356 V376 A449 F450 N451I353-F378 WeakPolarHBondContact CA-O 3.45Å; Q354-F378 HydrophobicContact CB-CB 4.1Å; Q354-F378 HydrophobicContact CB-CD2 4.43Å; Q354-F378 HydrophobicContact CG-CD2 4.25Å; Q354-F378 PolarHBondContact N-O 3.5Å; Q354-F378 WeakPolarHBondContact O-CB 3.32Å; Q354-F378 PolarHBondContact O-N 2.9Å; V356-F378 HydrophobicContact CB-CE2 4.2Å; V356-F378 HydrophobicContact CG2-CD2 4.13Å; V356-F378 HydrophobicContact CG2-CE2 3.73Å; V376-F378 HydrophobicContact CG1-CD1 4.39Å; V376-F378 HydrophobicContact CG1-CE1 3.94Å; V376-F378 HydrophobicContact CG1-CE2 4.09Å; V376-F378 HydrophobicContact CG1-CZ 3.78Å; F378-A449 WeakPolarHBondContact CA-O 3.44Å; F378-A449 HydrophobicContact CD1-CB 4.02Å; F378-A449 WeakPolarHBondContact CD1-O 3.47Å; F378-A449 HydrophobicContact CE1-CB 3.85Å; F378-F450 WeakPolarHBondContact CE1-O 3.44Å; F378-N451 HydrophobicContact CB-CB 4.04Å; F378-N451 VanDerWaalsContact CD1-CA 3.49Å; F378-N451 HydrophobicContact CD1-CB 3.65Å; F378-N451 HydrophobicContact CE1-CB 4.25Å; F378-N451 HydrophobicContact CG-CB 3.86Å
379H91.8Very high87Confident17 Ų1733.8 Ų33.88%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-96.9128.1-180-169.8-83.4000109.9F346 A351 V377 S381 L382 I395F346-H379 AromaticContact CE1-NE2 3.87Å; F346-H379 AromaticContact CZ-CD2 3.87Å; A351-H379 VanDerWaalsContact CB-CE1 3.47Å; A351-H379 WeakPolarHBondContact CB-CE1 3.29Å; A351-H379 WeakPolarHBondContact CB-NE2 3.3Å; V377-H379 PolarHBondContact O-N 3.49Å; H379-S381 PolarHBondContact CE1-OG 3.47Å; H379-S381 VanDerWaalsContact CE1-OG 3.32Å; H379-S381 WeakPolarHBondContact ND1-CB 3.31Å; H379-S381 PolarHBondContact ND1-N 3.41Å; H379-S381 PolarHBondContact ND1-OG 3.03Å; H379-S381 PolarHBondContact O-N 3.32Å; H379-L382 PolarHBondContact O-N 3.05Å; H379-I395 HydrophobicContact CB-CD1 3.83Å
380N89.9Confident88.2Confident59 Ų5936.9 Ų36.932%0.31621%0.205SC..THydrogen-bonded Turntrans-64.7-14.2-172.972.2-11.7000114.9A351 K352 L382 K383A351-N380 WeakPolarHBondContact CA-OD1 3.46Å; K352-N380 HydrophobicContact CB-CB 4.36Å; K352-N380 VanDerWaalsContact N-CG 3.33Å; K352-N380 PolarHBondContact N-ND2 2.95Å; K352-N380 WeakPolarHBondContact O-CB 3.39Å; K352-N380 PolarHBondContact O-N 3.21Å; K352-N380 VanDerWaalsContact O-N 3.11Å; N380-L382 VanDerWaalsContact C-N 3.29Å; N380-K383 VanDerWaalsContact O-CD 3.28Å; N380-K383 WeakPolarHBondContact O-CD 3.4Å; N380-K383 WeakPolarHBondContact O-CE 3.47Å; N380-K383 PolarHBondContact O-NZ 2.85Å
381S90.8Very high89.7Confident43 Ų4338.6 Ų38.630%0.30120%0.203SC..THydrogen-bonded Turntrans-71-24.8172.3730000112.8H379 K383H379-S381 PolarHBondContact CE1-OG 3.47Å; H379-S381 VanDerWaalsContact CE1-OG 3.32Å; H379-S381 WeakPolarHBondContact ND1-CB 3.31Å; H379-S381 PolarHBondContact ND1-N 3.41Å; H379-S381 PolarHBondContact ND1-OG 3.03Å; H379-S381 PolarHBondContact O-N 3.32Å; S381-K383 PolarHBondContact O-N 3.09Å
382L93.6Very high91.4Very high5 Ų539.2 Ų39.23%0.02620%0.203CC..  trans-80.5104.5174.8-56.7-176.6000108H379 N380 S387 Q388 E391 R392 I395 P448 F450H379-L382 PolarHBondContact O-N 3.05Å; N380-L382 VanDerWaalsContact C-N 3.29Å; L382-S387 WeakPolarHBondContact CA-OG 3.44Å; L382-Q388 HydrophobicContact CD1-CB 4.33Å; L382-Q388 HydrophobicContact CD1-CG 4.44Å; L382-E391 HydrophobicContact CD2-CB 4.01Å; L382-R392 HydrophobicContact CD1-CB 4.5Å; L382-I395 HydrophobicContact CD1-CD1 3.8Å; L382-I395 HydrophobicContact CD2-CD1 3.69Å; L382-I395 HydrophobicContact CG-CD1 3.61Å; L382-P448 HydrophobicContact CD1-CB 4.45Å; L382-F450 HydrophobicContact CB-CB 4.26Å; L382-F450 VanDerWaalsContact O-CD2 3.28Å; L382-F450 WeakPolarHBondContact O-CD2 3.5Å
383K91.9Very high92.3Very high150 Ų15038.4 Ų38.465%0.65220%0.197SC*.  trans-101.3-13.6-174.6-59.9-55.9-168.8-173.60114.5N380 S381 S387 F450N380-K383 VanDerWaalsContact O-CD 3.28Å; N380-K383 WeakPolarHBondContact O-CD 3.4Å; N380-K383 WeakPolarHBondContact O-CE 3.47Å; N380-K383 PolarHBondContact O-NZ 2.85Å; S381-K383 PolarHBondContact O-N 3.09Å; K383-S387 PolarHBondContact N-OG 3.09Å; K383-F450 WeakPolarHBondContact O-CE2 3.21Å; K383-F450 WeakPolarHBondContact O-CZ 3.21Å
384S93.8Very high92.7Very high46 Ų4644.4 Ų44.432%0.32222%0.222SC..SBendtrans-156.6165.2-17767.50000111.4T386 S387 Q388S384-T386 PolarHBondContact O-N 2.91Å; S384-S387 PolarHBondContact N-OG 2.88Å; S384-S387 PolarHBondContact O-N 3.17Å; S384-S387 VanDerWaalsContact O-N 3.11Å; S384-S387 PolarHBondContact O-OG 3.01Å; S384-S387 PolarHBondContact OG-N 3.35Å; S384-S387 VanDerWaalsContact OG-N 3.1Å; S384-Q388 PolarHBondContact O-N 3.38Å
385Y93.9Very high92.8Very high19 Ų1943 Ų438%0.07521%0.214CC..Hα-helixtrans-54.4-41.4171.6-58-64.8000111.9S387 Q388 K389 F450 A452 V466 L470 L473 F484 C487 F488Y385-S387 PolarHBondContact O-N 2.76Å; Y385-Q388 PolarHBondContact O-N 3.19Å; Y385-K389 PolarHBondContact O-N 3.34Å; Y385-F450 AromaticContact CD1-CD1 3.91Å; Y385-F450 HydrophobicContact CD1-CD1 3.91Å; Y385-F450 HydrophobicContact CD1-CE1 4.48Å; Y385-F450 AromaticContact CE1-CD1 3.99Å; Y385-F450 HydrophobicContact CE1-CD1 3.99Å; Y385-F450 HydrophobicContact CE1-CE1 4.33Å; Y385-F450 HydrophobicContact CE2-CE1 4.47Å; Y385-F450 HydrophobicContact CG-CD1 4.28Å; Y385-A452 HydrophobicContact CE1-CB 3.9Å; Y385-A452 WeakPolarHBondContact OH-CB 3.12Å; Y385-V466 WeakPolarHBondContact OH-CG1 3.16Å; Y385-V466 PolarHBondContact OH-O 2.77Å; Y385-L470 HydrophobicContact CD1-CD1 4.09Å; Y385-L470 HydrophobicContact CD2-CB 4.25Å; Y385-L470 HydrophobicContact CD2-CD1 4.35Å; Y385-L470 HydrophobicContact CE1-CD1 4.08Å; Y385-L470 HydrophobicContact CE2-CB 3.67Å; Y385-L470 HydrophobicContact CE2-CD1 4.35Å; Y385-L470 HydrophobicContact CG-CD1 4.23Å; Y385-L473 HydrophobicContact CG-CD2 4.44Å; Y385-F484 HydrophobicContact CD1-CB 3.93Å; Y385-F484 AromaticContact CD1-CD1 3.84Å; Y385-F484 HydrophobicContact CD1-CD1 3.84Å; Y385-F484 HydrophobicContact CD1-CD2 4.28Å; Y385-F484 HydrophobicContact CD1-CE1 4.44Å; Y385-F484 AromaticContact CD1-CG 3.75Å; Y385-F484 HydrophobicContact CD1-CG 3.75Å; Y385-F484 HydrophobicContact CE1-CB 4.23Å; Y385-F484 HydrophobicContact CG-CD1 4.44Å; Y385-F484 HydrophobicContact CG-CG 4.41Å; Y385-F484 WeakPolarHBondContact O-CE1 3.4Å; Y385-F484 WeakPolarHBondContact O-CZ 3.42Å; Y385-C487 HydrophobicContact CE1-CB 4.32Å; Y385-F488 HydrophobicContact CE1-CE2 4.22Å; Y385-F488 HydrophobicContact CE1-CZ 4.28Å; Y385-F488 VanDerWaalsContact OH-CZ 3.25Å; Y385-F488 WeakPolarHBondContact OH-CZ 3.33Å
386T92.5Very high92.8Very high65 Ų6543 Ų4340%0.39922%0.215SC..Hα-helixtrans-62.6-42.4176.3-51.60000112.3S384 K389 N390S384-T386 PolarHBondContact O-N 2.91Å; T386-K389 WeakPolarHBondContact O-CB 3.38Å; T386-K389 PolarHBondContact O-N 3.35Å; T386-N390 PolarHBondContact O-N 2.91Å; T386-N390 PolarHBondContact O-ND2 2.94Å
387S93.2Very high92.6Very high13 Ų1348.9 Ų48.99%0.09124%0.24CC..Hα-helixtrans-64.2-40.3174.971.60000111.9L382 K383 S384 Y385 K389 N390 E391L382-S387 WeakPolarHBondContact CA-OG 3.44Å; K383-S387 PolarHBondContact N-OG 3.09Å; S384-S387 PolarHBondContact N-OG 2.88Å; S384-S387 PolarHBondContact O-N 3.17Å; S384-S387 VanDerWaalsContact O-N 3.11Å; S384-S387 PolarHBondContact O-OG 3.01Å; S384-S387 PolarHBondContact OG-N 3.35Å; S384-S387 VanDerWaalsContact OG-N 3.1Å; Y385-S387 PolarHBondContact O-N 2.76Å; S387-K389 VanDerWaalsContact C-N 3.35Å; S387-K389 PolarHBondContact O-N 3.4Å; S387-N390 PolarHBondContact O-N 3.35Å; S387-E391 WeakPolarHBondContact O-CA 3.44Å; S387-E391 VanDerWaalsContact O-CB 3.26Å; S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 3.29Å
388Q93.4Very high92.5Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-60.3-45.4174174.2176.8-29.700111.2L382 S384 Y385 N390 R392 F450 F484 T486 C487L382-Q388 HydrophobicContact CD1-CB 4.33Å; L382-Q388 HydrophobicContact CD1-CG 4.44Å; S384-Q388 PolarHBondContact O-N 3.38Å; Y385-Q388 PolarHBondContact O-N 3.19Å; Q388-N390 VanDerWaalsContact C-N 3.29Å; Q388-N390 PolarHBondContact O-N 3.07Å; Q388-R392 HydrophobicContact CG-CB 4.32Å; Q388-R392 WeakPolarHBondContact O-CB 3.35Å; Q388-R392 WeakPolarHBondContact O-CD 3.4Å; Q388-R392 WeakPolarHBondContact O-CG 3.17Å; Q388-R392 PolarHBondContact O-N 3.23Å; Q388-F450 HydrophobicContact CB-CB 4.19Å; Q388-F484 HydrophobicContact CB-CE1 4.24Å; Q388-F484 HydrophobicContact CG-CD1 4.36Å; Q388-F484 HydrophobicContact CG-CE1 4.27Å; Q388-T486 PolarHBondContact NE2-OG1 3.17Å; Q388-C487 PolarHBondContact OE1-SG 3.16Å
389K89.8Confident92.4Very high79 Ų7951.6 Ų51.634%0.34325%0.253SS..Hα-helixtrans-55.9-46.1177.6179.1-177.8177.6174.90111.3Y385 T386 S387 L479 F484Y385-K389 PolarHBondContact O-N 3.34Å; T386-K389 WeakPolarHBondContact O-CB 3.38Å; T386-K389 PolarHBondContact O-N 3.35Å; S387-K389 VanDerWaalsContact C-N 3.35Å; S387-K389 PolarHBondContact O-N 3.4Å; K389-L479 HydrophobicContact CD-CD1 4.26Å; K389-L479 HydrophobicContact CD-CD2 4.13Å; K389-F484 HydrophobicContact CB-CE1 4.42Å; K389-F484 HydrophobicContact CB-CZ 4.2Å
390N90.8Very high92.4Very high90 Ų9052.8 Ų52.848%0.48126%0.258SS..Hα-helixtrans-87.1-30.7-170.5-65.3-16.9000113.5T386 S387 Q388 H393T386-N390 PolarHBondContact O-N 2.91Å; T386-N390 PolarHBondContact O-ND2 2.94Å; S387-N390 PolarHBondContact O-N 3.35Å; Q388-N390 VanDerWaalsContact C-N 3.29Å; Q388-N390 PolarHBondContact O-N 3.07Å; N390-H393 PolarHBondContact O-CE1 3.29Å; N390-H393 PolarHBondContact O-ND1 3Å
391E92.9Very high92.5Very high78 Ų7854.6 Ų54.636%0.36427%0.265SS..Hα-helixtrans-117.1-17.3-165.1-59.8179.1-158.500114.5L382 S387 H393 K394L382-E391 HydrophobicContact CD2-CB 4.01Å; S387-E391 WeakPolarHBondContact O-CA 3.44Å; S387-E391 VanDerWaalsContact O-CB 3.26Å; S387-E391 WeakPolarHBondContact O-CB 3.39Å; S387-E391 PolarHBondContact O-N 3.29Å; E391-H393 PolarHBondContact O-N 3.27Å; E391-K394 WeakPolarHBondContact O-CB 3.26Å; E391-K394 PolarHBondContact O-N 2.65Å
392R93.4Very high92.5Very high21 Ų2155.3 Ų55.38%0.07926%0.264CS..Hα-helixtrans-55.8-32.2-17672.4-177.3166.6-165.6-17.8113.4L382 Q388 K394 I395 V396 R427 P448 E483L382-R392 HydrophobicContact CD1-CB 4.5Å; Q388-R392 HydrophobicContact CG-CB 4.32Å; Q388-R392 WeakPolarHBondContact O-CB 3.35Å; Q388-R392 WeakPolarHBondContact O-CD 3.4Å; Q388-R392 WeakPolarHBondContact O-CG 3.17Å; Q388-R392 PolarHBondContact O-N 3.23Å; R392-K394 PolarHBondContact O-N 3.16Å; R392-I395 WeakPolarHBondContact O-CB 3.48Å; R392-I395 PolarHBondContact O-N 2.71Å; R392-I395 VanDerWaalsContact O-N 3.13Å; R392-V396 WeakPolarHBondContact O-CG2 3.42Å; R392-V396 PolarHBondContact O-N 2.86Å; R392-R427 VanDerWaalsContact CZ-CG 3.44Å; R392-P448 HydrophobicContact CB-CB 4.39Å; R392-E483 IonicContact CZ-OE1 3.73Å; R392-E483 IonicContact NH1-OE1 3.62Å; R392-E483 PolarHBondContact NH1-OE1 2.73Å; R392-E483 IonicContact NH2-OE1 2.72Å; R392-E483 PolarHBondContact NH2-OE1 3.3Å
393H92.5Very high92.3Very high62 Ų6255.1 Ų55.129%0.28726%0.263SS..Hα-helixtrans-64.5-30.3-179.672.6-89.8000112.4N390 E391 K397 A425 P426N390-H393 PolarHBondContact O-CE1 3.29Å; N390-H393 PolarHBondContact O-ND1 3Å; E391-H393 PolarHBondContact O-N 3.27Å; H393-K397 WeakPolarHBondContact O-CB 3.35Å; H393-K397 PolarHBondContact O-N 3.45Å; H393-A425 HydrophobicContact CB-CB 4.04Å; H393-P426 WeakPolarHBondContact CA-O 3.47Å
394K93Very high92.2Very high132 Ų13252.4 Ų52.457%0.57425%0.251SS*.Hα-helixtrans-67.3-41.6174.6-59.3-179.1-179.4174.90110.3E391 R392 K397 E398E391-K394 WeakPolarHBondContact O-CB 3.26Å; E391-K394 PolarHBondContact O-N 2.65Å; R392-K394 PolarHBondContact O-N 3.16Å; K394-K397 PolarHBondContact O-N 2.63Å; K394-E398 PolarHBondContact O-N 2.97Å
395I93.1Very high91.9Very high12 Ų1251.6 Ų51.66%0.06225%0.247CC..Hα-helixtrans-66.8-43.4176.7-56.4171.2000110.4F346 H379 L382 R392 K397 E398 I399 P448F346-I395 HydrophobicContact CE1-CG2 4.45Å; F346-I395 HydrophobicContact CZ-CG2 4.09Å; H379-I395 HydrophobicContact CB-CD1 3.83Å; L382-I395 HydrophobicContact CD1-CD1 3.8Å; L382-I395 HydrophobicContact CD2-CD1 3.69Å; L382-I395 HydrophobicContact CG-CD1 3.61Å; R392-I395 WeakPolarHBondContact O-CB 3.48Å; R392-I395 PolarHBondContact O-N 2.71Å; R392-I395 VanDerWaalsContact O-N 3.13Å; I395-K397 VanDerWaalsContact C-N 3.29Å; I395-K397 PolarHBondContact O-N 3.49Å; I395-E398 PolarHBondContact O-N 3.24Å; I395-I399 HydrophobicContact CG2-CD1 3.91Å; I395-I399 HydrophobicContact CG2-CG1 4.38Å; I395-I399 VanDerWaalsContact O-CG1 3.25Å; I395-I399 WeakPolarHBondContact O-CG1 3.17Å; I395-I399 PolarHBondContact O-N 3.38Å; I395-P448 HydrophobicContact CB-CB 4.18Å; I395-P448 HydrophobicContact CB-CG 4.21Å; I395-P448 HydrophobicContact CG2-CB 3.92Å; I395-P448 HydrophobicContact CG2-CG 3.83Å
396V93.6Very high91.5Very high3 Ų352.8 Ų52.82%0.01825%0.253CS..Hα-helixtrans-57.9-44.3174.2170.10000111.1R392 I399 H400 P426 L429 P448R392-V396 WeakPolarHBondContact O-CG2 3.42Å; R392-V396 PolarHBondContact O-N 2.86Å; V396-I399 PolarHBondContact O-N 3.45Å; V396-H400 WeakPolarHBondContact O-CB 3.36Å; V396-H400 PolarHBondContact O-N 2.7Å; V396-P426 HydrophobicContact CB-CG 4.36Å; V396-P426 HydrophobicContact CG1-CB 3.9Å; V396-P426 HydrophobicContact CG1-CG 3.76Å; V396-L429 HydrophobicContact CG1-CB 4.12Å; V396-P448 HydrophobicContact CG2-CG 3.67Å
397K91.6Very high91Very high123 Ų12350.6 Ų50.654%0.53524%0.237SC..Hα-helixtrans-63.6-46178-175.6179171-1760111.7H393 K394 I395 H400 E401H393-K397 WeakPolarHBondContact O-CB 3.35Å; H393-K397 PolarHBondContact O-N 3.45Å; K394-K397 PolarHBondContact O-N 2.63Å; I395-K397 VanDerWaalsContact C-N 3.29Å; I395-K397 PolarHBondContact O-N 3.49Å; K397-H400 WeakPolarHBondContact O-CB 3.25Å; K397-H400 PolarHBondContact O-N 2.85Å; K397-E401 WeakPolarHBondContact CE-OE1 3.42Å; K397-E401 IonicContact NZ-OE1 2.96Å; K397-E401 WeakPolarHBondContact O-CG 3.4Å; K397-E401 PolarHBondContact O-N 3.41Å
398E92.5Very high90.4Very high66 Ų6659 Ų5931%0.30827%0.267SS..Hα-helixtrans-58.1-50.6175.8-177.462.7-159.900111.1F346 K394 I395 H400 E401 Q402F346-E398 HydrophobicContact CD1-CG 4.25Å; F346-E398 HydrophobicContact CE1-CG 3.91Å; K394-E398 PolarHBondContact O-N 2.97Å; I395-E398 PolarHBondContact O-N 3.24Å; E398-H400 VanDerWaalsContact C-N 3.28Å; E398-H400 PolarHBondContact O-N 3.18Å; E398-E401 PolarHBondContact O-N 2.79Å; E398-Q402 HydrophobicContact CG-CG 4.24Å; E398-Q402 WeakPolarHBondContact O-CB 3.34Å; E398-Q402 VanDerWaalsContact O-CG 3.23Å; E398-Q402 WeakPolarHBondContact O-CG 3.13Å; E398-Q402 PolarHBondContact O-N 2.88Å; E398-Q402 WeakPolarHBondContact OE1-CG 3.37Å; E398-Q402 PolarHBondContact OE1-NE2 3.25Å
399I92.6Very high89.8Confident1 Ų166.5 Ų66.51%0.00530%0.302CS..Hα-helixtrans-56.2-47.2177.4-65.4166.7000109.5L341 F346 I395 V396 E401 L403 L429 V446 P448L341-I399 HydrophobicContact CD2-CD1 4.23Å; L341-I399 HydrophobicContact CD2-CG1 4.19Å; L341-I399 HydrophobicContact CD2-CG2 3.9Å; F346-I399 HydrophobicContact CE1-CG1 4.48Å; F346-I399 HydrophobicContact CE2-CG1 4.36Å; F346-I399 HydrophobicContact CZ-CD1 4.17Å; F346-I399 HydrophobicContact CZ-CG1 3.68Å; I395-I399 HydrophobicContact CG2-CD1 3.91Å; I395-I399 HydrophobicContact CG2-CG1 4.38Å; I395-I399 VanDerWaalsContact O-CG1 3.25Å; I395-I399 WeakPolarHBondContact O-CG1 3.17Å; I395-I399 PolarHBondContact O-N 3.38Å; V396-I399 PolarHBondContact O-N 3.45Å; I399-E401 PolarHBondContact O-N 2.85Å; I399-L403 WeakPolarHBondContact O-CB 3.36Å; I399-L403 PolarHBondContact O-N 2.97Å; I399-L429 HydrophobicContact CB-CD2 4.31Å; I399-L429 HydrophobicContact CG2-CD2 3.65Å; I399-V446 HydrophobicContact CD1-CG1 4.1Å; I399-P448 HydrophobicContact CD1-CG 4.08Å
400H91.9Very high89.1Confident41 Ų4166.7 Ų66.719%0.1930%0.303CS..Hα-helixtrans-59.1-48.3179.2-171.9169000112.3V396 K397 E398 L403 K404 F418 L429V396-H400 WeakPolarHBondContact O-CB 3.36Å; V396-H400 PolarHBondContact O-N 2.7Å; K397-H400 WeakPolarHBondContact O-CB 3.25Å; K397-H400 PolarHBondContact O-N 2.85Å; E398-H400 VanDerWaalsContact C-N 3.28Å; E398-H400 PolarHBondContact O-N 3.18Å; H400-L403 PolarHBondContact O-N 3.11Å; H400-K404 WeakPolarHBondContact NE2-CE 3.41Å; H400-K404 PolarHBondContact NE2-NZ 2.87Å; H400-K404 WeakPolarHBondContact O-CB 3.46Å; H400-K404 WeakPolarHBondContact O-CG 3.4Å; H400-K404 PolarHBondContact O-N 3.46Å; H400-F418 AromaticContact CD2-CD1 3.85Å; H400-F418 AromaticContact CD2-CE1 3.41Å; H400-F418 VanDerWaalsContact CD2-CE1 3.41Å; H400-F418 WeakPolarHBondContact CD2-CE1 3.49Å; H400-F418 AromaticContact CD2-CZ 3.75Å; H400-F418 AromaticContact NE2-CD1 3.67Å; H400-F418 AromaticContact NE2-CE1 3.7Å; H400-F418 AromaticContact NE2-CG 3.98Å; H400-L429 HydrophobicContact CB-CD1 3.82Å; H400-L429 HydrophobicContact CB-CD2 4.09Å
401E91.2Very high88Confident98 Ų9869.8 Ų69.846%0.45831%0.314SS..Hα-helixtrans-64.6-45.9-178.7-72.7176.2178.600112K397 E398 I399 L403 K404 A405K397-E401 WeakPolarHBondContact CE-OE1 3.42Å; K397-E401 IonicContact NZ-OE1 2.96Å; K397-E401 WeakPolarHBondContact O-CG 3.4Å; K397-E401 PolarHBondContact O-N 3.41Å; E398-E401 PolarHBondContact O-N 2.79Å; I399-E401 PolarHBondContact O-N 2.85Å; E401-L403 VanDerWaalsContact C-N 3.33Å; E401-L403 PolarHBondContact O-N 3.49Å; E401-K404 WeakPolarHBondContact O-CB 3.41Å; E401-K404 PolarHBondContact O-N 2.63Å; E401-A405 PolarHBondContact O-N 2.86Å
402Q91.4Very high86.7Confident57 Ų5774.2 Ų74.227%0.26634%0.335SS..Hα-helixtrans-66.7-37.9179-65-65.7-13.600112F340 C345 E398 A405 F406F340-Q402 HydrophobicContact CE2-CB 4.46Å; F340-Q402 HydrophobicContact CZ-CB 3.9Å; C345-Q402 WeakPolarHBondContact O-CG 3.21Å; E398-Q402 HydrophobicContact CG-CG 4.24Å; E398-Q402 WeakPolarHBondContact O-CB 3.34Å; E398-Q402 VanDerWaalsContact O-CG 3.23Å; E398-Q402 WeakPolarHBondContact O-CG 3.13Å; E398-Q402 PolarHBondContact O-N 2.88Å; E398-Q402 WeakPolarHBondContact OE1-CG 3.37Å; E398-Q402 PolarHBondContact OE1-NE2 3.25Å; Q402-A405 PolarHBondContact O-N 3.1Å; Q402-F406 WeakPolarHBondContact O-CB 3.33Å; Q402-F406 PolarHBondContact O-N 3Å
403L90.1Very high85.5Confident2 Ų278 Ų781%0.0135%0.354CS..Hα-helixtrans-70.4-39.7179.9-167.573.3000110.4I337 F340 I399 H400 E401 A405 F406 W407 F418 L429 F431I337-L403 HydrophobicContact CD1-CD1 4.47Å; F340-L403 HydrophobicContact CD1-CD1 3.17Å; F340-L403 HydrophobicContact CD1-CG 4.43Å; F340-L403 HydrophobicContact CD2-CD1 4Å; F340-L403 HydrophobicContact CE1-CB 3.81Å; F340-L403 HydrophobicContact CE1-CD1 3.14Å; F340-L403 HydrophobicContact CE1-CG 4Å; F340-L403 HydrophobicContact CE2-CB 4.35Å; F340-L403 HydrophobicContact CE2-CD1 3.96Å; F340-L403 HydrophobicContact CG-CD1 3.63Å; F340-L403 VanDerWaalsContact CZ-CA 3.41Å; F340-L403 HydrophobicContact CZ-CB 3.62Å; F340-L403 HydrophobicContact CZ-CD1 3.56Å; F340-L403 HydrophobicContact CZ-CG 4.16Å; I399-L403 WeakPolarHBondContact O-CB 3.36Å; I399-L403 PolarHBondContact O-N 2.97Å; H400-L403 PolarHBondContact O-N 3.11Å; E401-L403 VanDerWaalsContact C-N 3.33Å; E401-L403 PolarHBondContact O-N 3.49Å; L403-A405 PolarHBondContact O-N 2.83Å; L403-F406 PolarHBondContact O-N 3.33Å; L403-W407 HydrophobicContact CB-CE3 4.28Å; L403-W407 HydrophobicContact CB-CH2 4.33Å; L403-W407 HydrophobicContact CB-CZ3 4.11Å; L403-W407 HydrophobicContact CD1-CD2 4.24Å; L403-W407 HydrophobicContact CD1-CE3 4.44Å; L403-W407 HydrophobicContact CD1-CH2 3.56Å; L403-W407 HydrophobicContact CD1-CZ2 3.24Å; L403-W407 HydrophobicContact CD1-CZ3 4.14Å; L403-W407 HydrophobicContact CD2-CE3 4.22Å; L403-W407 HydrophobicContact CD2-CH2 2.94Å; L403-W407 HydrophobicContact CD2-CZ2 3.61Å; L403-W407 HydrophobicContact CD2-CZ3 3.31Å; L403-W407 HydrophobicContact CG-CD2 3.85Å; L403-W407 HydrophobicContact CG-CE3 3.58Å; L403-W407 HydrophobicContact CG-CH2 3.01Å; L403-W407 HydrophobicContact CG-CZ2 3.26Å; L403-W407 HydrophobicContact CG-CZ3 3.17Å; L403-W407 WeakPolarHBondContact O-CB 3.34Å; L403-W407 PolarHBondContact O-N 2.76Å; L403-F418 HydrophobicContact CD2-CE1 4.3Å; L403-L429 HydrophobicContact CD2-CD2 3.91Å; L403-F431 HydrophobicContact CD2-CD1 4.23Å; L403-F431 HydrophobicContact CD2-CE1 3.83Å; L403-F431 HydrophobicContact CD2-CZ 4.04Å
404K88.7Confident84.5Confident92 Ų9276.2 Ų76.240%0.435%0.346SS..Hα-helixtrans-59-42.6167.9-83.6179.1166.3163.50112.9H400 E401 R408 F418H400-K404 WeakPolarHBondContact NE2-CE 3.41Å; H400-K404 PolarHBondContact NE2-NZ 2.87Å; H400-K404 WeakPolarHBondContact O-CB 3.46Å; H400-K404 WeakPolarHBondContact O-CG 3.4Å; H400-K404 PolarHBondContact O-N 3.46Å; E401-K404 WeakPolarHBondContact O-CB 3.41Å; E401-K404 PolarHBondContact O-N 2.63Å; K404-R408 WeakPolarHBondContact O-CG 3.27Å; K404-R408 PolarHBondContact O-N 3.25Å; K404-R408 VanDerWaalsContact O-N 3.16Å; K404-F418 HydrophobicContact CB-CZ 4.49Å; K404-F418 HydrophobicContact CD-CE2 4.32Å; K404-F418 HydrophobicContact CD-CZ 4.32Å; K404-F418 HydrophobicContact CG-CE1 4.45Å; K404-F418 HydrophobicContact CG-CE2 3.52Å; K404-F418 HydrophobicContact CG-CZ 3.4Å; K404-F418 VanDerWaalsContact CG-CZ 3.4Å
405A88.1Confident83.8Confident30 Ų3075.8 Ų75.825%0.24835%0.346CS..Hα-helixtrans-64.7-50.4178.700000111.1E401 Q402 L403 W407 R408E401-A405 PolarHBondContact O-N 2.86Å; Q402-A405 PolarHBondContact O-N 3.1Å; L403-A405 PolarHBondContact O-N 2.83Å; A405-W407 PolarHBondContact O-N 2.7Å; A405-R408 PolarHBondContact O-N 3.39Å
406F85.5Confident83.3Confident44 Ų4477 Ų7719%0.19335%0.354CS..Hα-helixtrans-56.6-36177.3178.5-101.2000112.9F340 N344 Q402 L403F340-F406 HydrophobicContact CB-CE1 4.36Å; F340-F406 HydrophobicContact CD2-CB 3.77Å; F340-F406 AromaticContact CD2-CD1 3.58Å; F340-F406 HydrophobicContact CD2-CD1 3.58Å; F340-F406 AromaticContact CD2-CD2 3.89Å; F340-F406 HydrophobicContact CD2-CD2 3.89Å; F340-F406 HydrophobicContact CD2-CE1 4.11Å; F340-F406 HydrophobicContact CD2-CE2 4.37Å; F340-F406 AromaticContact CD2-CG 3.46Å; F340-F406 HydrophobicContact CD2-CG 3.46Å; F340-F406 VanDerWaalsContact CD2-CG 3.46Å; F340-F406 HydrophobicContact CD2-CZ 4.48Å; F340-F406 HydrophobicContact CE2-CB 3.54Å; F340-F406 HydrophobicContact CE2-CD1 4.22Å; F340-F406 HydrophobicContact CE2-CD2 4.37Å; F340-F406 AromaticContact CE2-CG 3.81Å; F340-F406 HydrophobicContact CE2-CG 3.81Å; F340-F406 HydrophobicContact CG-CD1 4.33Å; N344-F406 HydrophobicContact CB-CD2 4.21Å; N344-F406 HydrophobicContact CB-CE2 4.47Å; Q402-F406 WeakPolarHBondContact O-CB 3.33Å; Q402-F406 PolarHBondContact O-N 3Å; L403-F406 PolarHBondContact O-N 3.33Å
407W81.2Confident82.8Confident19 Ų1980.2 Ų80.27%0.07238%0.377CS..Hα-helixtrans-80.9-28.9-179.4-67.2-41.9000115I337 L403 A405 E409 K410 E411 V416 F418 F431I337-W407 HydrophobicContact CD1-CZ2 3.83Å; L403-W407 HydrophobicContact CB-CE3 4.28Å; L403-W407 HydrophobicContact CB-CH2 4.33Å; L403-W407 HydrophobicContact CB-CZ3 4.11Å; L403-W407 HydrophobicContact CD1-CD2 4.24Å; L403-W407 HydrophobicContact CD1-CE3 4.44Å; L403-W407 HydrophobicContact CD1-CH2 3.56Å; L403-W407 HydrophobicContact CD1-CZ2 3.24Å; L403-W407 HydrophobicContact CD1-CZ3 4.14Å; L403-W407 HydrophobicContact CD2-CE3 4.22Å; L403-W407 HydrophobicContact CD2-CH2 2.94Å; L403-W407 HydrophobicContact CD2-CZ2 3.61Å; L403-W407 HydrophobicContact CD2-CZ3 3.31Å; L403-W407 HydrophobicContact CG-CD2 3.85Å; L403-W407 HydrophobicContact CG-CE3 3.58Å; L403-W407 HydrophobicContact CG-CH2 3.01Å; L403-W407 HydrophobicContact CG-CZ2 3.26Å; L403-W407 HydrophobicContact CG-CZ3 3.17Å; L403-W407 WeakPolarHBondContact O-CB 3.34Å; L403-W407 PolarHBondContact O-N 2.76Å; A405-W407 PolarHBondContact O-N 2.7Å; W407-E409 PolarHBondContact O-N 2.92Å; W407-K410 CarbonylContact O-C 3.47Å; W407-K410 PolarHBondContact O-N 3.23Å; W407-E411 PolarHBondContact O-N 3.42Å; W407-E411 VanDerWaalsContact O-N 3.1Å; W407-V416 HydrophobicContact CD2-CB 4.31Å; W407-V416 HydrophobicContact CD2-CG1 4.47Å; W407-V416 HydrophobicContact CD2-CG2 3.78Å; W407-V416 HydrophobicContact CE3-CB 4.04Å; W407-V416 HydrophobicContact CE3-CG1 3.85Å; W407-V416 HydrophobicContact CE3-CG2 4Å; W407-V416 HydrophobicContact CG-CG2 4.16Å; W407-V416 HydrophobicContact CH2-CB 4.34Å; W407-V416 HydrophobicContact CH2-CG1 3.58Å; W407-V416 HydrophobicContact CH2-CG2 4.04Å; W407-V416 HydrophobicContact CZ2-CG1 4.28Å; W407-V416 HydrophobicContact CZ2-CG2 3.89Å; W407-V416 HydrophobicContact CZ3-CB 4.03Å; W407-V416 HydrophobicContact CZ3-CG1 3.33Å; W407-V416 HydrophobicContact CZ3-CG2 4.09Å; W407-F418 HydrophobicContact CE3-CE1 4.43Å; W407-F418 AromaticContact CE3-CE2 3.89Å; W407-F418 HydrophobicContact CE3-CE2 3.89Å; W407-F418 AromaticContact CE3-CZ 3.54Å; W407-F418 HydrophobicContact CE3-CZ 3.54Å; W407-F418 HydrophobicContact CH2-CE1 4.45Å; W407-F418 HydrophobicContact CH2-CZ 4.31Å; W407-F418 AromaticContact CZ3-CE1 3.59Å; W407-F418 HydrophobicContact CZ3-CE1 3.59Å; W407-F418 AromaticContact CZ3-CE2 3.71Å; W407-F418 HydrophobicContact CZ3-CE2 3.71Å; W407-F418 AromaticContact CZ3-CZ 3.12Å; W407-F418 HydrophobicContact CZ3-CZ 3.12Å; W407-F431 HydrophobicContact CH2-CD1 4.46Å; W407-F431 AromaticContact CH2-CD2 3.59Å; W407-F431 HydrophobicContact CH2-CD2 3.59Å; W407-F431 HydrophobicContact CH2-CE1 4.42Å; W407-F431 AromaticContact CH2-CE2 3.55Å; W407-F431 HydrophobicContact CH2-CE2 3.55Å; W407-F431 HydrophobicContact CH2-CG 4.07Å; W407-F431 AromaticContact CH2-CZ 3.98Å; W407-F431 HydrophobicContact CH2-CZ 3.98Å; W407-F431 HydrophobicContact CZ2-CD2 4.29Å; W407-F431 AromaticContact CZ2-CE2 3.89Å; W407-F431 HydrophobicContact CZ2-CE2 3.89Å; W407-F431 HydrophobicContact CZ2-CZ 4.35Å; W407-F431 HydrophobicContact CZ3-CD2 4.48Å
408R81.1Confident82.5Confident188 Ų18876.9 Ų76.971%0.70936%0.362SS*.Hα-helixtrans-59.1-28.4170.4-77.7-174.4-70.4-172.20112.1K404 A405 K410K404-R408 WeakPolarHBondContact O-CG 3.27Å; K404-R408 PolarHBondContact O-N 3.25Å; K404-R408 VanDerWaalsContact O-N 3.16Å; A405-R408 PolarHBondContact O-N 3.39Å; R408-K410 VanDerWaalsContact C-N 3.3Å
409E80.4Confident82Confident159 Ų15978.4 Ų78.474%0.74337%0.369SS*.THydrogen-bonded Turntrans-80.3-10.2175.9-62.4175.1-173.700113.3W407W407-E409 PolarHBondContact O-N 2.92Å
410K74.6Confident81.3Confident82 Ų8283.5 Ų83.536%0.35740%0.403SS..SBendtrans-128.616.5-171-74.1-61.7-160.3166.40114.1W407 R408 E412 E413 L414W407-K410 CarbonylContact O-C 3.47Å; W407-K410 PolarHBondContact O-N 3.23Å; R408-K410 VanDerWaalsContact C-N 3.3Å; K410-E412 PolarHBondContact O-N 2.99Å; K410-E412 VanDerWaalsContact O-N 3.16Å; K410-E413 IonicContact NZ-OE1 3.68Å; K410-E413 IonicContact NZ-OE2 2.85Å; K410-E413 PolarHBondContact NZ-OE2 3.14Å; K410-E413 PolarHBondContact O-N 3.18Å; K410-L414 PolarHBondContact O-N 3.2Å
411E68.7Low80.4Confident155 Ų15585.9 Ų85.972%0.72442%0.422SS*.THydrogen-bonded Turntrans-60.7-26.8-171.7-167.5168.8-166.700113.5W407 E413W407-E411 PolarHBondContact O-N 3.42Å; W407-E411 VanDerWaalsContact O-N 3.1Å; E411-E413 VanDerWaalsContact C-N 3.3Å; E411-E413 PolarHBondContact O-N 3.09Å
412E64.6Low79.5Confident171 Ų17188.9 Ų88.980%0.79943%0.433SS*.THydrogen-bonded Turntrans-75.3-13.4178-62.1-173.1174.900114.4K410 K436K410-E412 PolarHBondContact O-N 2.99Å; K410-E412 VanDerWaalsContact O-N 3.16Å; E412-K436 WeakPolarHBondContact O-CE 3.38Å; E412-K436 PolarHBondContact O-NZ 2.91Å
413E69.1Low78.6Confident101 Ų10194 Ų9447%0.47245%0.45SS..THydrogen-bonded Turntrans-115-26.6-173.7-65.8176.5174.800113.6K410 E411 S435 K436K410-E413 IonicContact NZ-OE1 3.68Å; K410-E413 IonicContact NZ-OE2 2.85Å; K410-E413 PolarHBondContact NZ-OE2 3.14Å; K410-E413 PolarHBondContact O-N 3.18Å; E411-E413 VanDerWaalsContact C-N 3.3Å; E411-E413 PolarHBondContact O-N 3.09Å; E413-S435 PolarHBondContact O-OG 2.62Å; E413-K436 PolarHBondContact O-N 3.33Å
414L71.9Confident77.6Confident25 Ų25104.8 Ų104.813%0.13150%0.497CS..EExtended strand (participates in β ladder)trans-139.6128.9-169.5-61.1173.9000111.5K410 L433 K434 S435K410-L414 PolarHBondContact O-N 3.2Å; L414-L433 HydrophobicContact CB-CD1 4.32Å; L414-L433 HydrophobicContact CD2-CD1 4.25Å; L414-K434 CarbonylContact C-O 3.44Å; L414-K434 WeakPolarHBondContact CA-O 3.37Å; L414-S435 WeakPolarHBondContact CD2-OG 3.04Å
415E78.6Confident77Confident123 Ų123102.8 Ų102.858%0.57550%0.498SS*.EExtended strand (participates in β ladder)trans-100.1126.3172.5-179.8-174.917900109.2K434E415-K434 HydrophobicContact CB-CB 4.21Å; E415-K434 PolarHBondContact N-O 3.01Å; E415-K434 PolarHBondContact O-N 3.49Å; E415-K434 WeakPolarHBondContact OE2-CD 3.26Å; E415-K434 IonicContact OE2-NZ 2.61Å
416V81.9Confident76.6Confident37 Ų37102.7 Ų102.722%0.22449%0.494CS..EExtended strand (participates in β ladder)trans-127132.2177.6-177.10000112W407 F418 F431 S432 L433W407-V416 HydrophobicContact CD2-CB 4.31Å; W407-V416 HydrophobicContact CD2-CG1 4.47Å; W407-V416 HydrophobicContact CD2-CG2 3.78Å; W407-V416 HydrophobicContact CE3-CB 4.04Å; W407-V416 HydrophobicContact CE3-CG1 3.85Å; W407-V416 HydrophobicContact CE3-CG2 4Å; W407-V416 HydrophobicContact CG-CG2 4.16Å; W407-V416 HydrophobicContact CH2-CB 4.34Å; W407-V416 HydrophobicContact CH2-CG1 3.58Å; W407-V416 HydrophobicContact CH2-CG2 4.04Å; W407-V416 HydrophobicContact CZ2-CG1 4.28Å; W407-V416 HydrophobicContact CZ2-CG2 3.89Å; W407-V416 HydrophobicContact CZ3-CB 4.03Å; W407-V416 HydrophobicContact CZ3-CG1 3.33Å; W407-V416 HydrophobicContact CZ3-CG2 4.09Å; V416-F418 HydrophobicContact CG1-CD2 4.4Å; V416-F418 HydrophobicContact CG1-CE2 4.28Å; V416-F431 HydrophobicContact CG1-CB 4.27Å; V416-F431 HydrophobicContact CG1-CD2 4.05Å; V416-S432 WeakPolarHBondContact CA-O 3.16Å; V416-L433 HydrophobicContact CG2-CD1 3.6Å
417S83.3Confident76.7Confident70 Ų70105 Ų10549%0.4950%0.502SS..EExtended strand (participates in β ladder)trans-118.3124172.2-163.80000110.4F431 S432S417-F431 CarbonylContact O-C 3.55Å; S417-F431 VanDerWaalsContact O-CA 3.24Å; S417-F431 WeakPolarHBondContact O-CA 3.48Å; S417-F431 WeakPolarHBondContact O-CB 3.4Å; S417-S432 WeakPolarHBondContact CB-OG 3.35Å; S417-S432 PolarHBondContact N-O 3.11Å; S417-S432 PolarHBondContact O-N 3.24Å
418F84.9Confident77.2Confident54 Ų54106 Ų10624%0.23751%0.511CS..EExtended strand (participates in β ladder)trans-91137.9176.8-69-90.2000111.1H400 L403 K404 W407 V416 L429 F431H400-F418 AromaticContact CD2-CD1 3.85Å; H400-F418 AromaticContact CD2-CE1 3.41Å; H400-F418 VanDerWaalsContact CD2-CE1 3.41Å; H400-F418 WeakPolarHBondContact CD2-CE1 3.49Å; H400-F418 AromaticContact CD2-CZ 3.75Å; H400-F418 AromaticContact NE2-CD1 3.67Å; H400-F418 AromaticContact NE2-CE1 3.7Å; H400-F418 AromaticContact NE2-CG 3.98Å; L403-F418 HydrophobicContact CD2-CE1 4.3Å; K404-F418 HydrophobicContact CB-CZ 4.49Å; K404-F418 HydrophobicContact CD-CE2 4.32Å; K404-F418 HydrophobicContact CD-CZ 4.32Å; K404-F418 HydrophobicContact CG-CE1 4.45Å; K404-F418 HydrophobicContact CG-CE2 3.52Å; K404-F418 HydrophobicContact CG-CZ 3.4Å; K404-F418 VanDerWaalsContact CG-CZ 3.4Å; W407-F418 HydrophobicContact CE3-CE1 4.43Å; W407-F418 AromaticContact CE3-CE2 3.89Å; W407-F418 HydrophobicContact CE3-CE2 3.89Å; W407-F418 AromaticContact CE3-CZ 3.54Å; W407-F418 HydrophobicContact CE3-CZ 3.54Å; W407-F418 HydrophobicContact CH2-CE1 4.45Å; W407-F418 HydrophobicContact CH2-CZ 4.31Å; W407-F418 AromaticContact CZ3-CE1 3.59Å; W407-F418 HydrophobicContact CZ3-CE1 3.59Å; W407-F418 AromaticContact CZ3-CE2 3.71Å; W407-F418 HydrophobicContact CZ3-CE2 3.71Å; W407-F418 AromaticContact CZ3-CZ 3.12Å; W407-F418 HydrophobicContact CZ3-CZ 3.12Å; V416-F418 HydrophobicContact CG1-CD2 4.4Å; V416-F418 HydrophobicContact CG1-CE2 4.28Å; F418-L429 HydrophobicContact CD1-CD1 4.23Å; F418-L429 HydrophobicContact CE1-CD1 4.38Å; F418-F431 HydrophobicContact CD1-CB 3.92Å; F418-F431 HydrophobicContact CE1-CB 4.46Å; F418-F431 HydrophobicContact CG-CB 4.4Å
419E82.1Confident77.7Confident97 Ų9797.5 Ų97.545%0.45348%0.479SS..PPolyproline II helixtrans-77.1141.4167.9-63.3-164.5173.700110.6S430E419-S430 PolarHBondContact N-O 3.3Å
420P77.3Confident78.2Confident108 Ų10890.6 Ų90.670%0.70145%0.448SS*.PPolyproline II helixtrans-62.7137.5175.225.2-32.4000110.6K422P420-K422 PolarHBondContact O-N 2.82Å
421P74.2Confident78.9Confident91 Ų9186.8 Ų86.859%0.59143%0.432SS*.PPolyproline II helixtrans-63.5125.4-178.925-32.5000110.3W423 P426P421-W423 PolarHBondContact O-N 2.83Å; P421-P426 HydrophobicContact CB-CB 4.39Å
422K70.8Confident79.8Confident162 Ų16281.1 Ų81.170%0.70441%0.409SS*.SBendtrans-69.6-17.1179.7-66.4172.2-175.5158.20113.4P420P420-K422 PolarHBondContact O-N 2.82Å
423W73.4Confident80.7Confident165 Ų16573 Ų7363%0.62537%0.371SS*.SBendtrans-139.3149.2-171.3-49.387.9000111.1P421 A425P421-W423 PolarHBondContact O-N 2.83Å; W423-A425 PolarHBondContact O-N 2.6Å
424K69.3Low81.1Confident227 Ų22772.3 Ų72.399%0.98737%0.366SS*.SBendtrans-58.3-34.4173.5-69.7-174.7178.7-1790112.7P426K424-P426 WeakPolarHBondContact O-CD 3.32Å
425A76.9Confident80.9Confident51 Ų5171.9 Ų71.942%0.42137%0.366SS..SBendtrans-112.190.2171.500000108.8H393 W423H393-A425 HydrophobicContact CB-CB 4.04Å; W423-A425 PolarHBondContact O-N 2.6Å
426P79.9Confident80.1Confident27 Ų2774.2 Ų74.218%0.17537%0.374CS..  trans-66.3137.3-174.827.9-35.9000110.9H393 V396 P421 K424H393-P426 WeakPolarHBondContact CA-O 3.47Å; V396-P426 HydrophobicContact CB-CG 4.36Å; V396-P426 HydrophobicContact CG1-CB 3.9Å; V396-P426 HydrophobicContact CG1-CG 3.76Å; P421-P426 HydrophobicContact CB-CB 4.39Å; K424-P426 WeakPolarHBondContact O-CD 3.32Å
427R87.3Confident79.1Confident92 Ų9277.5 Ų77.535%0.34739%0.394SS..SBendtrans-98.6-20.4-179.9-50.6-178.7172.4-160.7-11.9112.4R392 E483R392-R427 VanDerWaalsContact CZ-CG 3.44Å; R427-E483 IonicContact CZ-OE1 2.7Å; R427-E483 VanDerWaalsContact CZ-OE1 3.26Å; R427-E483 IonicContact CZ-OE2 2.65Å; R427-E483 VanDerWaalsContact CZ-OE2 3.25Å; R427-E483 IonicContact NE-OE1 2.91Å; R427-E483 IonicContact NH1-OE1 2.9Å; R427-E483 PolarHBondContact NH1-OE1 2.86Å; R427-E483 IonicContact NH1-OE2 2.79Å; R427-E483 PolarHBondContact NH1-OE2 2.99Å; R427-E483 IonicContact NH2-OE1 3.19Å; R427-E483 IonicContact NH2-OE2 3.31Å; R427-E483 PolarHBondContact NH2-OE2 2.7Å; R427-E483 VanDerWaalsContact NH2-OE2 3.16Å
428V90.8Very high77.9Confident42 Ų4274.4 Ų74.426%0.25537%0.372SS..  trans-139145.5-175.462.10000107.8D445 V446 L447V428-D445 HydrophobicContact CG2-CB 3.74Å; V428-V446 WeakPolarHBondContact CA-O 3.26Å; V428-L447 HydrophobicContact CB-CD2 3.55Å; V428-L447 HydrophobicContact CB-CG 4.48Å; V428-L447 HydrophobicContact CG2-CD2 3.51Å; V428-L447 HydrophobicContact CG2-CG 3.97Å
429L92Very high76.6Confident8 Ų874.1 Ų74.14%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-103.4115.8163.8-178.662.7000108.5V396 I399 H400 L403 F418 F431 V446V396-L429 HydrophobicContact CG1-CB 4.12Å; I399-L429 HydrophobicContact CB-CD2 4.31Å; I399-L429 HydrophobicContact CG2-CD2 3.65Å; H400-L429 HydrophobicContact CB-CD1 3.82Å; H400-L429 HydrophobicContact CB-CD2 4.09Å; L403-L429 HydrophobicContact CD2-CD2 3.91Å; F418-L429 HydrophobicContact CD1-CD1 4.23Å; F418-L429 HydrophobicContact CE1-CD1 4.38Å; L429-F431 HydrophobicContact CD2-CD1 4.38Å; L429-F431 HydrophobicContact CD2-CE1 4.45Å; L429-F431 HydrophobicContact CG-CD1 4.12Å; L429-V446 HydrophobicContact CB-CB 4.29Å; L429-V446 PolarHBondContact N-O 3.39Å; L429-V446 PolarHBondContact O-N 3.18Å
430S91.9Very high75.8Confident14 Ų1473.3 Ų73.310%0.09837%0.369CS..EExtended strand (participates in β ladder)trans-109.5127.1-179.5-54.20000110.4E419 F444 D445E419-S430 PolarHBondContact N-O 3.3Å; S430-F444 VanDerWaalsContact CA-O 3.28Å; S430-F444 WeakPolarHBondContact CA-O 3.32Å; S430-D445 VanDerWaalsContact CB-OD1 3.24Å; S430-D445 WeakPolarHBondContact CB-OD1 3.41Å; S430-D445 PolarHBondContact OG-OD1 2.99Å
431F89.3Confident75.7Confident3 Ų371 Ų711%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-154.7158.6178.664-87.8000111.5I337 L403 W407 V416 S417 F418 L429 S443 F444 V446I337-F431 HydrophobicContact CD1-CE2 3.79Å; I337-F431 HydrophobicContact CD1-CZ 3.77Å; I337-F431 HydrophobicContact CG1-CE2 4.29Å; I337-F431 HydrophobicContact CG1-CZ 4.09Å; I337-F431 HydrophobicContact CG2-CZ 4.29Å; L403-F431 HydrophobicContact CD2-CD1 4.23Å; L403-F431 HydrophobicContact CD2-CE1 3.83Å; L403-F431 HydrophobicContact CD2-CZ 4.04Å; W407-F431 HydrophobicContact CH2-CD1 4.46Å; W407-F431 AromaticContact CH2-CD2 3.59Å; W407-F431 HydrophobicContact CH2-CD2 3.59Å; W407-F431 HydrophobicContact CH2-CE1 4.42Å; W407-F431 AromaticContact CH2-CE2 3.55Å; W407-F431 HydrophobicContact CH2-CE2 3.55Å; W407-F431 HydrophobicContact CH2-CG 4.07Å; W407-F431 AromaticContact CH2-CZ 3.98Å; W407-F431 HydrophobicContact CH2-CZ 3.98Å; W407-F431 HydrophobicContact CZ2-CD2 4.29Å; W407-F431 AromaticContact CZ2-CE2 3.89Å; W407-F431 HydrophobicContact CZ2-CE2 3.89Å; W407-F431 HydrophobicContact CZ2-CZ 4.35Å; W407-F431 HydrophobicContact CZ3-CD2 4.48Å; V416-F431 HydrophobicContact CG1-CB 4.27Å; V416-F431 HydrophobicContact CG1-CD2 4.05Å; S417-F431 CarbonylContact O-C 3.55Å; S417-F431 VanDerWaalsContact O-CA 3.24Å; S417-F431 WeakPolarHBondContact O-CA 3.48Å; S417-F431 WeakPolarHBondContact O-CB 3.4Å; F418-F431 HydrophobicContact CD1-CB 3.92Å; F418-F431 HydrophobicContact CE1-CB 4.46Å; F418-F431 HydrophobicContact CG-CB 4.4Å; L429-F431 HydrophobicContact CD2-CD1 4.38Å; L429-F431 HydrophobicContact CD2-CE1 4.45Å; L429-F431 HydrophobicContact CG-CD1 4.12Å; F431-S443 CarbonylContact O-C 3.56Å; F431-S443 WeakPolarHBondContact O-CA 3.43Å; F431-F444 HydrophobicContact CD1-CB 4.13Å; F431-F444 HydrophobicContact CD2-CB 4.19Å; F431-F444 HydrophobicContact CD2-CD2 4.34Å; F431-F444 HydrophobicContact CE1-CB 3.7Å; F431-F444 HydrophobicContact CE1-CG 4.5Å; F431-F444 HydrophobicContact CE2-CB 3.73Å; F431-F444 AromaticContact CE2-CD2 3.69Å; F431-F444 HydrophobicContact CE2-CD2 3.69Å; F431-F444 AromaticContact CE2-CG 3.87Å; F431-F444 HydrophobicContact CE2-CG 3.87Å; F431-F444 HydrophobicContact CG-CB 4.38Å; F431-F444 HydrophobicContact CZ-CB 3.47Å; F431-F444 VanDerWaalsContact CZ-CB 3.47Å; F431-F444 HydrophobicContact CZ-CD2 4.11Å; F431-F444 AromaticContact CZ-CG 3.81Å; F431-F444 HydrophobicContact CZ-CG 3.81Å; F431-F444 PolarHBondContact N-O 2.98Å; F431-F444 PolarHBondContact O-N 3.33Å; F431-V446 HydrophobicContact CE1-CG2 3.8Å; F431-V446 HydrophobicContact CZ-CG2 4.4Å
432S87.3Confident76Confident35 Ų3566.9 Ų66.925%0.24533%0.329CS..EExtended strand (participates in β ladder)trans-110.6132.6172.365.50000111.2V416 S417 V442V416-S432 WeakPolarHBondContact CA-O 3.16Å; S417-S432 WeakPolarHBondContact CB-OG 3.35Å; S417-S432 PolarHBondContact N-O 3.11Å; S417-S432 PolarHBondContact O-N 3.24Å; S432-V442 CarbonylContact C-O 3.52Å; S432-V442 WeakPolarHBondContact CA-O 3.47Å
433L83Confident76.8Confident0 Ų061.1 Ų61.10%031%0.308CS..EExtended strand (participates in β ladder)trans-107.8128.6177.1178.768.5000110.3A333 I337 L414 V416 L438 S441 V442 F444A333-L433 HydrophobicContact CB-CD2 4.16Å; I337-L433 HydrophobicContact CD1-CD2 4.29Å; I337-L433 HydrophobicContact CG1-CD2 4.42Å; L414-L433 HydrophobicContact CB-CD1 4.32Å; L414-L433 HydrophobicContact CD2-CD1 4.25Å; V416-L433 HydrophobicContact CG2-CD1 3.6Å; L433-L438 HydrophobicContact CD2-CD1 4.24Å; L433-L438 HydrophobicContact CG-CD1 4.23Å; L433-S441 CarbonylContact O-C 3.58Å; L433-S441 VanDerWaalsContact O-CA 3.31Å; L433-S441 WeakPolarHBondContact O-CA 3.43Å; L433-V442 PolarHBondContact N-O 3.47Å; L433-V442 PolarHBondContact O-N 3.41Å; L433-F444 HydrophobicContact CB-CD2 4.2Å; L433-F444 HydrophobicContact CB-CE2 3.96Å; L433-F444 HydrophobicContact CD2-CE2 4.11Å
434K76.5Confident77.6Confident87 Ų8753.3 Ų53.338%0.37828%0.279SS..EExtended strand (participates in β ladder)trans-127.3148.8169.8-177177.1170.1-157.90108.8L414 E415L414-K434 CarbonylContact C-O 3.44Å; L414-K434 WeakPolarHBondContact CA-O 3.37Å; E415-K434 HydrophobicContact CB-CB 4.21Å; E415-K434 PolarHBondContact N-O 3.01Å; E415-K434 PolarHBondContact O-N 3.49Å; E415-K434 WeakPolarHBondContact OE2-CD 3.26Å; E415-K434 IonicContact OE2-NZ 2.61Å
435S67.7Low78.7Confident17 Ų1745.2 Ų45.212%0.11925%0.246CC..EExtended strand (participates in β ladder)trans-145158.3-175.1-179.80000110E413 L414 V437 L438E413-S435 PolarHBondContact O-OG 2.62Å; L414-S435 WeakPolarHBondContact CD2-OG 3.04Å; S435-V437 PolarHBondContact O-N 2.8Å; S435-V437 VanDerWaalsContact O-N 3.15Å; S435-V437 PolarHBondContact OG-N 3.01Å; S435-V437 VanDerWaalsContact OG-N 3.16Å; S435-L438 CarbonylContact O-C 3.6Å; S435-L438 PolarHBondContact O-N 3.04Å
436K62.9Low79.5Confident171 Ų17142.8 Ų42.874%0.74323%0.227SC*.THydrogen-bonded Turntrans-56.1-24.2164.9-70.2176173.1160.90113.4E412 E413E412-K436 WeakPolarHBondContact O-CE 3.38Å; E412-K436 PolarHBondContact O-NZ 2.91Å; E413-K436 PolarHBondContact O-N 3.33Å
437V60Low80.2Confident106 Ų10643.2 Ų43.264%0.64223%0.227SC*.THydrogen-bonded Turntrans-92.2-14.4178.5-171.10000112.2S435S435-V437 PolarHBondContact O-N 2.8Å; S435-V437 VanDerWaalsContact O-N 3.15Å; S435-V437 PolarHBondContact OG-N 3.01Å; S435-V437 VanDerWaalsContact OG-N 3.16Å
438L58.9Low80.6Confident6 Ų638.9 Ų38.93%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-107.1115.6-177.7-63.1172.8000109.5Q329 A333 L433 S435 E440Q329-L438 HydrophobicContact CB-CD2 3.94Å; Q329-L438 HydrophobicContact CG-CD2 4.29Å; Q329-L438 WeakPolarHBondContact O-CD2 3.43Å; A333-L438 HydrophobicContact CB-CD1 3.91Å; A333-L438 HydrophobicContact CB-CD2 4.18Å; L433-L438 HydrophobicContact CD2-CD1 4.24Å; L433-L438 HydrophobicContact CG-CD1 4.23Å; S435-L438 CarbonylContact O-C 3.6Å; S435-L438 PolarHBondContact O-N 3.04Å; L438-E440 PolarHBondContact O-N 2.85Å
439N58.3Low80.8Confident48 Ų4836.9 Ų36.926%0.25720%0.199SC..EExtended strand (participates in β ladder)trans-67.1-25.2180-56.1-12.1000112.5P293 Q329P293-N439 WeakPolarHBondContact CD-ND2 3.46Å; P293-N439 HydrophobicContact CG-CB 3.98Å; P293-N439 VanDerWaalsContact CG-CG 3.44Å; P293-N439 WeakPolarHBondContact CG-ND2 3.46Å; Q329-N439 PolarHBondContact NE2-ND2 3.12Å; Q329-N439 PolarHBondContact NE2-OD1 3.31Å
440E65.3Low80.9Confident80 Ų8038.3 Ų38.337%0.37421%0.205SC..EExtended strand (participates in β ladder)trans-128.8153.6179.9-64.8-176.7-172.800110.9F326 L438F326-E440 WeakPolarHBondContact CE2-OE2 3.3Å; L438-E440 PolarHBondContact O-N 2.85Å
441S73.8Confident81Confident60 Ų6039.8 Ų39.842%0.4221%0.211SC..EExtended strand (participates in β ladder)trans-72.7134.5171.461.20000111.2L433L433-S441 CarbonylContact O-C 3.58Å; L433-S441 VanDerWaalsContact O-CA 3.31Å; L433-S441 WeakPolarHBondContact O-CA 3.43Å
442V81.3Confident81.1Confident4 Ų440.2 Ų40.22%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-106.8120.5174.8-176.40000109.5I330 A333 S371 A373 S432 L433 F444I330-V442 HydrophobicContact CG1-CG1 4.45Å; I330-V442 HydrophobicContact CG1-CG2 4.24Å; A333-V442 HydrophobicContact CB-CB 4.22Å; A333-V442 HydrophobicContact CB-CG1 4.41Å; A333-V442 HydrophobicContact CB-CG2 4.02Å; S371-V442 CarbonylContact O-C 3.29Å; A373-V442 HydrophobicContact CB-CG1 4.33Å; S432-V442 CarbonylContact C-O 3.52Å; S432-V442 WeakPolarHBondContact CA-O 3.47Å; L433-V442 PolarHBondContact N-O 3.47Å; L433-V442 PolarHBondContact O-N 3.41Å; V442-F444 HydrophobicContact CB-CE2 3.84Å; V442-F444 HydrophobicContact CB-CZ 4.47Å; V442-F444 HydrophobicContact CG1-CD2 4.17Å; V442-F444 HydrophobicContact CG1-CE2 3.56Å; V442-F444 HydrophobicContact CG1-CZ 3.85Å; V442-F444 WeakPolarHBondContact O-CD2 3.44Å
443S86.9Confident81.3Confident40 Ų4039.6 Ų39.628%0.2821%0.209SC..EExtended strand (participates in β ladder)trans-78.3140.3171.5-53.50000110.7S371 D372 A373 F431S371-S443 WeakPolarHBondContact O-CA 3.21Å; S371-S443 PolarHBondContact O-N 3.24Å; D372-S443 CarbonylContact C-O 3.58Å; D372-S443 WeakPolarHBondContact CA-O 3.34Å; D372-S443 VanDerWaalsContact OD1-CB 3.28Å; D372-S443 WeakPolarHBondContact OD1-CB 3.38Å; A373-S443 PolarHBondContact N-O 2.91Å; F431-S443 CarbonylContact O-C 3.56Å; F431-S443 WeakPolarHBondContact O-CA 3.43Å
444F90.1Very high81.4Confident1 Ų141.3 Ų41.30%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-126.9137.1-179.2-77.7-89000110.7A333 V334 I337 A373 L375 S430 F431 L433 V442A333-F444 HydrophobicContact CB-CE2 4.09Å; A333-F444 HydrophobicContact CB-CZ 3.76Å; V334-F444 HydrophobicContact CB-CE1 4.35Å; V334-F444 HydrophobicContact CG2-CE1 3.73Å; V334-F444 HydrophobicContact CG2-CZ 4.11Å; I337-F444 HydrophobicContact CB-CE1 4.33Å; I337-F444 HydrophobicContact CG1-CD1 4.24Å; I337-F444 HydrophobicContact CG1-CD2 4.44Å; I337-F444 HydrophobicContact CG1-CE1 3.94Å; I337-F444 HydrophobicContact CG1-CE2 4.16Å; I337-F444 HydrophobicContact CG1-CG 4.48Å; I337-F444 HydrophobicContact CG1-CZ 3.91Å; A373-F444 HydrophobicContact CB-CD1 3.69Å; A373-F444 HydrophobicContact CB-CE1 3.58Å; A373-F444 HydrophobicContact CB-CG 4.42Å; A373-F444 HydrophobicContact CB-CZ 4.21Å; A373-F444 WeakPolarHBondContact O-CA 3.4Å; L375-F444 HydrophobicContact CD1-CD1 3.97Å; L375-F444 HydrophobicContact CD1-CE1 4.11Å; L375-F444 HydrophobicContact CG-CD1 4.35Å; S430-F444 VanDerWaalsContact CA-O 3.28Å; S430-F444 WeakPolarHBondContact CA-O 3.32Å; F431-F444 HydrophobicContact CD1-CB 4.13Å; F431-F444 HydrophobicContact CD2-CB 4.19Å; F431-F444 HydrophobicContact CD2-CD2 4.34Å; F431-F444 HydrophobicContact CE1-CB 3.7Å; F431-F444 HydrophobicContact CE1-CG 4.5Å; F431-F444 HydrophobicContact CE2-CB 3.73Å; F431-F444 AromaticContact CE2-CD2 3.69Å; F431-F444 HydrophobicContact CE2-CD2 3.69Å; F431-F444 AromaticContact CE2-CG 3.87Å; F431-F444 HydrophobicContact CE2-CG 3.87Å; F431-F444 HydrophobicContact CG-CB 4.38Å; F431-F444 HydrophobicContact CZ-CB 3.47Å; F431-F444 VanDerWaalsContact CZ-CB 3.47Å; F431-F444 HydrophobicContact CZ-CD2 4.11Å; F431-F444 AromaticContact CZ-CG 3.81Å; F431-F444 HydrophobicContact CZ-CG 3.81Å; F431-F444 PolarHBondContact N-O 2.98Å; F431-F444 PolarHBondContact O-N 3.33Å; L433-F444 HydrophobicContact CB-CD2 4.2Å; L433-F444 HydrophobicContact CB-CE2 3.96Å; L433-F444 HydrophobicContact CD2-CE2 4.11Å; V442-F444 HydrophobicContact CB-CE2 3.84Å; V442-F444 HydrophobicContact CB-CZ 4.47Å; V442-F444 HydrophobicContact CG1-CD2 4.17Å; V442-F444 HydrophobicContact CG1-CE2 3.56Å; V442-F444 HydrophobicContact CG1-CZ 3.85Å; V442-F444 WeakPolarHBondContact O-CD2 3.44Å
445D92.3Very high81.2Confident57 Ų5747 Ų4731%0.30526%0.256SS..EExtended strand (participates in β ladder)trans-116.3110.7166.2-83.6-20.6000109.1A373 D374 L375 V428 S430A373-D445 PolarHBondContact O-N 2.94Å; A373-D445 VanDerWaalsContact O-N 3.1Å; D374-D445 CarbonylContact C-O 3.58Å; D374-D445 WeakPolarHBondContact CA-O 3.43Å; L375-D445 PolarHBondContact N-O 3.18Å; V428-D445 HydrophobicContact CG2-CB 3.74Å; S430-D445 VanDerWaalsContact CB-OD1 3.24Å; S430-D445 WeakPolarHBondContact CB-OD1 3.41Å; S430-D445 PolarHBondContact OG-OD1 2.99Å
446V94Very high81.2Confident1 Ų149.2 Ų49.21%0.00627%0.265CS..EExtended strand (participates in β ladder)trans-99.3120.1177.4-175.20000109.7L341 L375 V377 I399 V428 L429 F431L341-V446 HydrophobicContact CD1-CG1 4.44Å; L375-V446 HydrophobicContact CB-CG2 4.43Å; L375-V446 CarbonylContact O-C 3.52Å; L375-V446 WeakPolarHBondContact O-CA 3.32Å; V377-V446 HydrophobicContact CG2-CG1 3.58Å; I399-V446 HydrophobicContact CD1-CG1 4.1Å; V428-V446 WeakPolarHBondContact CA-O 3.26Å; L429-V446 HydrophobicContact CB-CB 4.29Å; L429-V446 PolarHBondContact N-O 3.39Å; L429-V446 PolarHBondContact O-N 3.18Å; F431-V446 HydrophobicContact CE1-CG2 3.8Å; F431-V446 HydrophobicContact CZ-CG2 4.4Å
447L94.3Very high81Confident35 Ų3545 Ų4518%0.18326%0.257CS..EExtended strand (participates in β ladder)trans-123.195.6-166.8-66.9159.7000110.9L375 V376 V377 V428 A449 T486L375-L447 PolarHBondContact O-N 2.72Å; V376-L447 WeakPolarHBondContact CA-O 3.36Å; V376-L447 HydrophobicContact CG2-CB 4.35Å; V376-L447 HydrophobicContact CG2-CD1 4.46Å; V377-L447 PolarHBondContact N-O 2.88Å; V428-L447 HydrophobicContact CB-CD2 3.55Å; V428-L447 HydrophobicContact CB-CG 4.48Å; V428-L447 HydrophobicContact CG2-CD2 3.51Å; V428-L447 HydrophobicContact CG2-CG 3.97Å; L447-A449 PolarHBondContact O-N 3.2Å; L447-T486 HydrophobicContact CB-CG2 4.21Å; L447-T486 HydrophobicContact CD1-CG2 4.19Å; L447-T486 HydrophobicContact CD2-CG2 4.29Å; L447-T486 HydrophobicContact CG-CG2 4.48Å
448P95.1Very high80.9Confident2 Ų245.9 Ų45.91%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-65.4130.7172.9-24.437000112.2V377 L382 R392 I395 V396 I399V377-P448 VanDerWaalsContact O-CA 3.29Å; V377-P448 WeakPolarHBondContact O-CA 3.36Å; L382-P448 HydrophobicContact CD1-CB 4.45Å; R392-P448 HydrophobicContact CB-CB 4.39Å; I395-P448 HydrophobicContact CB-CB 4.18Å; I395-P448 HydrophobicContact CB-CG 4.21Å; I395-P448 HydrophobicContact CG2-CB 3.92Å; I395-P448 HydrophobicContact CG2-CG 3.83Å; V396-P448 HydrophobicContact CG2-CG 3.67Å; I399-P448 HydrophobicContact CD1-CG 4.08Å
449A95.7Very high80.9Confident0 Ų049.5 Ų49.50%031%0.307CS..EExtended strand (participates in β ladder)trans-141.2155.9-176.400000112.8V376 V377 F378 L447 T486V376-A449 HydrophobicContact CG1-CB 3.76Å; V377-A449 PolarHBondContact O-N 3.14Å; F378-A449 WeakPolarHBondContact CA-O 3.44Å; F378-A449 HydrophobicContact CD1-CB 4.02Å; F378-A449 WeakPolarHBondContact CD1-O 3.47Å; F378-A449 HydrophobicContact CE1-CB 3.85Å; L447-A449 PolarHBondContact O-N 3.2Å; A449-T486 WeakPolarHBondContact CB-OG1 3.43Å
450F94.6Very high81.4Confident38 Ų3849.1 Ų49.117%0.16731%0.308CS..  trans-74.8132.3166.3165.6-129.3000109.4F378 L382 K383 Y385 Q388 A452 C487F378-F450 WeakPolarHBondContact CE1-O 3.44Å; L382-F450 HydrophobicContact CB-CB 4.26Å; L382-F450 VanDerWaalsContact O-CD2 3.28Å; L382-F450 WeakPolarHBondContact O-CD2 3.5Å; K383-F450 WeakPolarHBondContact O-CE2 3.21Å; K383-F450 WeakPolarHBondContact O-CZ 3.21Å; Y385-F450 AromaticContact CD1-CD1 3.91Å; Y385-F450 HydrophobicContact CD1-CD1 3.91Å; Y385-F450 HydrophobicContact CD1-CE1 4.48Å; Y385-F450 AromaticContact CE1-CD1 3.99Å; Y385-F450 HydrophobicContact CE1-CD1 3.99Å; Y385-F450 HydrophobicContact CE1-CE1 4.33Å; Y385-F450 HydrophobicContact CE2-CE1 4.47Å; Y385-F450 HydrophobicContact CG-CD1 4.28Å; Q388-F450 HydrophobicContact CB-CB 4.19Å; F450-A452 VanDerWaalsContact C-N 3.27Å; F450-A452 HydrophobicContact CD1-CB 3.91Å; F450-A452 HydrophobicContact CE1-CB 3.75Å; F450-A452 HydrophobicContact CZ-CB 4.49Å; F450-A452 PolarHBondContact O-N 2.99Å; F450-C487 WeakPolarHBondContact O-CB 3.5Å; F450-C487 PolarHBondContact O-SG 2.8Å
451N93.5Very high82.1Confident44 Ų4450 Ų5024%0.23532%0.319CS..  trans-80.475.9175.5-172.38.3000111Q354 F378 L453 G454Q354-N451 PolarHBondContact OE1-ND2 3.16Å; F378-N451 HydrophobicContact CB-CB 4.04Å; F378-N451 VanDerWaalsContact CD1-CA 3.49Å; F378-N451 HydrophobicContact CD1-CB 3.65Å; F378-N451 HydrophobicContact CE1-CB 4.25Å; F378-N451 HydrophobicContact CG-CB 3.86Å; N451-L453 PolarHBondContact O-N 2.99Å; N451-L453 PolarHBondContact OD1-N 3.11Å; N451-G454 PolarHBondContact ND2-O 2.92Å; N451-G454 PolarHBondContact O-N 3.39Å; N451-G454 PolarHBondContact OD1-N 3.48Å; N451-G454 VanDerWaalsContact OD1-N 3.12Å
452A92.1Very high82.7Confident12 Ų1247.4 Ų47.410%0.09930%0.301CS..THydrogen-bonded Turntrans-62.1-25179.600000113.7Y385 F450 V466 C487 F488Y385-A452 HydrophobicContact CE1-CB 3.9Å; Y385-A452 WeakPolarHBondContact OH-CB 3.12Å; F450-A452 VanDerWaalsContact C-N 3.27Å; F450-A452 HydrophobicContact CD1-CB 3.91Å; F450-A452 HydrophobicContact CE1-CB 3.75Å; F450-A452 HydrophobicContact CZ-CB 4.49Å; F450-A452 PolarHBondContact O-N 2.99Å; A452-V466 HydrophobicContact CB-CG1 4Å; A452-C487 HydrophobicContact CB-CB 3.92Å; A452-F488 HydrophobicContact CB-CE1 4.41Å; A452-F488 HydrophobicContact CB-CZ 4.31Å
453L90.1Very high83Confident22 Ų2250 Ų5012%0.11532%0.32CS..THydrogen-bonded Turntrans-90.8-12.9-176.2-59.2179000113.5N451 Q455 L456 P462 F488 V490 L491N451-L453 PolarHBondContact O-N 2.99Å; N451-L453 PolarHBondContact OD1-N 3.11Å; L453-Q455 PolarHBondContact O-N 3.15Å; L453-L456 HydrophobicContact CB-CB 4.36Å; L453-L456 HydrophobicContact CD1-CD2 4.5Å; L453-L456 PolarHBondContact O-N 3.1Å; L453-P462 HydrophobicContact CD2-CB 3.91Å; L453-P462 HydrophobicContact CD2-CG 3.76Å; L453-F488 HydrophobicContact CD1-CD1 4.48Å; L453-F488 HydrophobicContact CD2-CD1 3.88Å; L453-F488 HydrophobicContact CD2-CE1 4.01Å; L453-F488 HydrophobicContact CG-CD1 4.3Å; L453-V490 HydrophobicContact CD1-CB 4.4Å; L453-L491 HydrophobicContact CD1-CD1 3.99Å; L453-L491 HydrophobicContact CD1-CD2 4.21Å; L453-L491 HydrophobicContact CD1-CG 3.73Å; L453-L491 HydrophobicContact CD2-CD1 4.06Å
454G85.2Confident83Confident37 Ų3750.5 Ų50.538%0.38132%0.322SS..  trans56.4-133.6-176.900000112.9N451 L456N451-G454 PolarHBondContact ND2-O 2.92Å; N451-G454 PolarHBondContact O-N 3.39Å; N451-G454 PolarHBondContact OD1-N 3.48Å; N451-G454 VanDerWaalsContact OD1-N 3.12Å; G454-L456 PolarHBondContact O-N 3.35Å
455Q73.2Confident83Confident207 Ų20756.7 Ų56.797%0.96735%0.35SS*.SBendtrans-95.172.2171.9-73.8-178-12.900110.1L453 S457L453-Q455 PolarHBondContact O-N 3.15Å; Q455-S457 PolarHBondContact O-N 3.36Å
456L67.6Low83Confident62 Ų6255.4 Ų55.433%0.32535%0.345SS..PPolyproline II helixtrans-71.9125.4175.7-162.871.5000110.3L453 G454 S460 P462 L491L453-L456 HydrophobicContact CB-CB 4.36Å; L453-L456 HydrophobicContact CD1-CD2 4.5Å; L453-L456 PolarHBondContact O-N 3.1Å; G454-L456 PolarHBondContact O-N 3.35Å; L456-S460 VanDerWaalsContact CD1-OG 3.26Å; L456-S460 WeakPolarHBondContact CD1-OG 3.41Å; L456-S460 WeakPolarHBondContact CG-OG 3.28Å; L456-P462 HydrophobicContact CD2-CG 4.26Å; L456-L491 HydrophobicContact CD2-CD2 3.89Å
457S59.5Low83.1Confident82 Ų8255.5 Ų55.557%0.57335%0.345SS*.PPolyproline II helixtrans-71.5144.2173.5570000110.3Q455 G459 S460Q455-S457 PolarHBondContact O-N 3.36Å; S457-G459 PolarHBondContact O-N 2.8Å; S457-G459 VanDerWaalsContact O-N 3.09Å; S457-S460 PolarHBondContact N-OG 3.34Å; S457-S460 PolarHBondContact O-N 3.5Å; S457-S460 VanDerWaalsContact O-N 3.12Å; S457-S460 PolarHBondContact O-OG 3.19Å; S457-S460 PolarHBondContact OG-OG 3.39Å; S457-S460 VanDerWaalsContact OG-OG 3.1Å
458S56.8Low83Confident126 Ų12654.7 Ų54.788%0.88134%0.343SS*.THydrogen-bonded Turntrans-57.2116.6-176.9-178.20000111.3
459G58.2Low82.8Confident81 Ų8156.3 Ų56.384%0.83536%0.36SS*.THydrogen-bonded Turntrans95.4-0.6177.100000115.6S457S457-G459 PolarHBondContact O-N 2.8Å; S457-G459 VanDerWaalsContact O-N 3.09Å
460S70.6Confident82.8Confident41 Ų4156.3 Ų56.329%0.28736%0.361SS..PPolyproline II helixtrans-83.2141.6172.7590000111.9L456 S457L456-S460 VanDerWaalsContact CD1-OG 3.26Å; L456-S460 WeakPolarHBondContact CD1-OG 3.41Å; L456-S460 WeakPolarHBondContact CG-OG 3.28Å; S457-S460 PolarHBondContact N-OG 3.34Å; S457-S460 PolarHBondContact O-N 3.5Å; S457-S460 VanDerWaalsContact O-N 3.12Å; S457-S460 PolarHBondContact O-OG 3.19Å; S457-S460 PolarHBondContact OG-OG 3.39Å; S457-S460 VanDerWaalsContact OG-OG 3.1Å
461T78.4Confident82.8Confident97 Ų9754.5 Ų54.560%0.59535%0.353SS*.PPolyproline II helixtrans-73.5137.3171.548.50000109.8V575T461-V575 WeakPolarHBondContact CG2-O 3.39Å
462P86.3Confident82.7Confident7 Ų756.7 Ų56.75%0.04536%0.364CS..PPolyproline II helixtrans-58.1147.8171.7-22.434000111.1L453 L456 Y467 L491L453-P462 HydrophobicContact CD2-CB 3.91Å; L453-P462 HydrophobicContact CD2-CG 3.76Å; L456-P462 HydrophobicContact CD2-CG 4.26Å; P462-Y467 HydrophobicContact CB-CE2 3.9Å; P462-Y467 HydrophobicContact CG-CE2 4.32Å; P462-Y467 WeakPolarHBondContact CG-OH 3.47Å; P462-L491 HydrophobicContact CG-CD1 3.6Å; P462-L491 HydrophobicContact CG-CD2 4.36Å
463S87.6Confident82.7Confident59 Ų5957.3 Ų57.341%0.41337%0.366SS..PPolyproline II helixtrans-68.9143.9177.894.50000110.6E465 V466S463-E465 WeakPolarHBondContact CB-OE2 3.01Å; S463-E465 PolarHBondContact O-N 2.93Å; S463-E465 VanDerWaalsContact O-N 3.11Å; S463-E465 PolarHBondContact OG-OE2 3.24Å; S463-V466 WeakPolarHBondContact O-CB 3.19Å; S463-V466 PolarHBondContact O-N 2.88Å; S463-V466 VanDerWaalsContact O-N 3.08Å
464P88.8Confident82.7Confident50 Ų5058.6 Ų58.633%0.32537%0.37SS..Hα-helixtrans-56-29.5-177.1-26.435.2000114V466 Y467 A468 D581P464-V466 PolarHBondContact O-N 2.72Å; P464-Y467 PolarHBondContact O-N 2.75Å; P464-A468 PolarHBondContact O-N 3.46Å; P464-D581 HydrophobicContact CB-CB 3.7Å; P464-D581 HydrophobicContact CG-CB 4.16Å
465E89.9Confident82.9Confident130 Ų13062.6 Ų62.661%0.60738%0.376SS*.Hα-helixtrans-58.6-33.6179-62.377.8-171.500112.3S463 Y467 A468 G469S463-E465 WeakPolarHBondContact CB-OE2 3.01Å; S463-E465 PolarHBondContact O-N 2.93Å; S463-E465 VanDerWaalsContact O-N 3.11Å; S463-E465 PolarHBondContact OG-OE2 3.24Å; E465-Y467 VanDerWaalsContact C-N 3.26Å; E465-Y467 PolarHBondContact O-N 2.83Å; E465-A468 PolarHBondContact O-N 3.44Å; E465-G469 PolarHBondContact O-N 3.24Å; E465-G469 VanDerWaalsContact O-N 3.08Å
466V92.4Very high83.6Confident31 Ų3157.2 Ų57.219%0.18836%0.361CS..Hα-helixtrans-60.2-39.7176.5176.80000110.9Y385 A452 S463 P464 F488Y385-V466 WeakPolarHBondContact OH-CG1 3.16Å; Y385-V466 PolarHBondContact OH-O 2.77Å; A452-V466 HydrophobicContact CB-CG1 4Å; S463-V466 WeakPolarHBondContact O-CB 3.19Å; S463-V466 PolarHBondContact O-N 2.88Å; S463-V466 VanDerWaalsContact O-N 3.08Å; P464-V466 PolarHBondContact O-N 2.72Å; V466-F488 HydrophobicContact CG1-CE1 3.89Å; V466-F488 HydrophobicContact CG1-CZ 4.15Å
467Y94.9Very high84.2Confident2 Ų255.5 Ų55.51%0.00836%0.355CS..Hα-helixtrans-84.5-34.8178.1-59.7-64.2000112.5P462 P464 E465 G469 L470 I471 F488 N576 Y577 P605P462-Y467 HydrophobicContact CB-CE2 3.9Å; P462-Y467 HydrophobicContact CG-CE2 4.32Å; P462-Y467 WeakPolarHBondContact CG-OH 3.47Å; P464-Y467 PolarHBondContact O-N 2.75Å; E465-Y467 VanDerWaalsContact C-N 3.26Å; E465-Y467 PolarHBondContact O-N 2.83Å; Y467-G469 PolarHBondContact O-N 3.29Å; Y467-L470 WeakPolarHBondContact O-CB 2.93Å; Y467-L470 PolarHBondContact O-N 2.99Å; Y467-L470 VanDerWaalsContact O-N 3.13Å; Y467-I471 WeakPolarHBondContact O-CB 3.11Å; Y467-I471 WeakPolarHBondContact O-CD1 3.46Å; Y467-I471 WeakPolarHBondContact O-CG1 3.24Å; Y467-I471 PolarHBondContact O-N 3.42Å; Y467-F488 HydrophobicContact CD1-CE1 4.17Å; Y467-F488 HydrophobicContact CD1-CZ 4.18Å; Y467-F488 HydrophobicContact CE1-CD1 4.16Å; Y467-F488 AromaticContact CE1-CE1 3.59Å; Y467-F488 HydrophobicContact CE1-CE1 3.59Å; Y467-F488 AromaticContact CE1-CZ 3.99Å; Y467-F488 HydrophobicContact CE1-CZ 3.99Å; Y467-N576 WeakPolarHBondContact CE2-O 3.45Å; Y467-N576 WeakPolarHBondContact OH-CB 3.42Å; Y467-N576 PolarHBondContact OH-O 2.9Å; Y467-Y577 HydrophobicContact CE1-CD1 4.33Å; Y467-P605 HydrophobicContact CD1-CG 3.68Å; Y467-P605 HydrophobicContact CE1-CG 4.32Å; Y467-P605 HydrophobicContact CG-CG 4.11Å
468A92.6Very high85.2Confident18 Ų1860 Ų6015%0.14937%0.372CS..Hα-helixtrans-57.2-49.517600000110.8P464 E465 L470 I471 D472 T583P464-A468 PolarHBondContact O-N 3.46Å; E465-A468 PolarHBondContact O-N 3.44Å; A468-L470 VanDerWaalsContact C-N 3.27Å; A468-L470 PolarHBondContact O-N 3.35Å; A468-I471 PolarHBondContact O-N 3.01Å; A468-I471 VanDerWaalsContact O-N 3.16Å; A468-D472 PolarHBondContact O-N 3.34Å; A468-T583 HydrophobicContact CB-CG2 4.23Å
469G91.4Very high86.4Confident36 Ų3655 Ų5537%0.37134%0.336SS..Hα-helixtrans-63.1-30.7176.500000114E465 Y467 L473E465-G469 PolarHBondContact O-N 3.24Å; E465-G469 VanDerWaalsContact O-N 3.08Å; Y467-G469 PolarHBondContact O-N 3.29Å; G469-L473 PolarHBondContact O-N 3.49Å
470L94.7Very high87.7Confident1 Ų153.9 Ų53.91%0.00531%0.313CS..Hα-helixtrans-70.6-44.8173.4177.259.9000111.8Y385 Y467 A468 D472 L473 Y474 F484 F488 E604 T606Y385-L470 HydrophobicContact CD1-CD1 4.09Å; Y385-L470 HydrophobicContact CD2-CB 4.25Å; Y385-L470 HydrophobicContact CD2-CD1 4.35Å; Y385-L470 HydrophobicContact CE1-CD1 4.08Å; Y385-L470 HydrophobicContact CE2-CB 3.67Å; Y385-L470 HydrophobicContact CE2-CD1 4.35Å; Y385-L470 HydrophobicContact CG-CD1 4.23Å; Y467-L470 WeakPolarHBondContact O-CB 2.93Å; Y467-L470 PolarHBondContact O-N 2.99Å; Y467-L470 VanDerWaalsContact O-N 3.13Å; A468-L470 VanDerWaalsContact C-N 3.27Å; A468-L470 PolarHBondContact O-N 3.35Å; L470-D472 VanDerWaalsContact C-N 3.34Å; L470-L473 PolarHBondContact O-N 3.43Å; L470-Y474 WeakPolarHBondContact O-CB 3.25Å; L470-Y474 PolarHBondContact O-N 2.93Å; L470-F484 HydrophobicContact CD1-CB 3.99Å; L470-F484 HydrophobicContact CD1-CD2 3.47Å; L470-F484 VanDerWaalsContact CD1-CD2 3.47Å; L470-F484 HydrophobicContact CD1-CE2 4.29Å; L470-F484 HydrophobicContact CD1-CG 4.04Å; L470-F488 HydrophobicContact CD2-CE2 3.64Å; L470-F488 HydrophobicContact CD2-CZ 3.83Å; L470-E604 HydrophobicContact CD2-CG 3.81Å; L470-E604 WeakPolarHBondContact CD2-OE1 3.47Å; L470-T606 HydrophobicContact CD2-CG2 4.41Å; L470-T606 HydrophobicContact CG-CG2 4.12Å
471I94.5Very high88.4Confident0 Ų052.8 Ų52.80%031%0.309CS..Hα-helixtrans-63.2-42.2179.2-72.3163.6000110.3Y467 A468 Y474 K475 V584 F587 T606Y467-I471 WeakPolarHBondContact O-CB 3.11Å; Y467-I471 WeakPolarHBondContact O-CD1 3.46Å; Y467-I471 WeakPolarHBondContact O-CG1 3.24Å; Y467-I471 PolarHBondContact O-N 3.42Å; A468-I471 PolarHBondContact O-N 3.01Å; A468-I471 VanDerWaalsContact O-N 3.16Å; I471-Y474 PolarHBondContact O-N 2.65Å; I471-K475 HydrophobicContact CG2-CD 4.02Å; I471-K475 HydrophobicContact CG2-CG 4.41Å; I471-K475 WeakPolarHBondContact O-CG 3.31Å; I471-K475 PolarHBondContact O-N 2.79Å; I471-V584 HydrophobicContact CD1-CB 4.47Å; I471-V584 HydrophobicContact CD1-CG2 4.07Å; I471-F587 HydrophobicContact CB-CG 4.46Å; I471-F587 HydrophobicContact CD1-CB 3.83Å; I471-F587 HydrophobicContact CD1-CD1 3.7Å; I471-F587 HydrophobicContact CD1-CE1 4.47Å; I471-F587 HydrophobicContact CD1-CG 3.83Å; I471-F587 HydrophobicContact CG1-CB 4.33Å; I471-F587 HydrophobicContact CG1-CD1 3.69Å; I471-F587 HydrophobicContact CG1-CD2 4.31Å; I471-F587 HydrophobicContact CG1-CE1 4.02Å; I471-F587 HydrophobicContact CG1-CG 3.84Å; I471-F587 HydrophobicContact CG1-CZ 4.45Å; I471-F587 HydrophobicContact CG2-CB 4Å; I471-F587 HydrophobicContact CG2-CD1 4.47Å; I471-F587 HydrophobicContact CG2-CD2 3.62Å; I471-F587 HydrophobicContact CG2-CE2 4.19Å; I471-F587 HydrophobicContact CG2-CG 3.76Å; I471-T606 HydrophobicContact CG1-CG2 4.35Å
472D91.9Very high88.9Confident90 Ų9049 Ų4948%0.48129%0.289SS..Hα-helixtrans-63.9-42.6178-70.7-19.4000111.3A468 L470 K475 S476A468-D472 PolarHBondContact O-N 3.34Å; L470-D472 VanDerWaalsContact C-N 3.34Å; D472-K475 PolarHBondContact O-N 2.76Å; D472-S476 VanDerWaalsContact O-CB 3.31Å; D472-S476 WeakPolarHBondContact O-CB 3.28Å; D472-S476 PolarHBondContact O-N 3.02Å; D472-S476 PolarHBondContact O-OG 2.68Å
473L91.8Very high89.1Confident25 Ų2549.3 Ų49.313%0.13129%0.29CS..Hα-helixtrans-63.7-42173.5-177.862.8000111.7Y385 G469 L470 S476 S477 L479 F484Y385-L473 HydrophobicContact CG-CD2 4.44Å; G469-L473 PolarHBondContact O-N 3.49Å; L470-L473 PolarHBondContact O-N 3.43Å; L473-S476 WeakPolarHBondContact CA-OG 3.35Å; L473-S476 PolarHBondContact O-N 2.8Å; L473-S476 PolarHBondContact O-OG 2.84Å; L473-S477 WeakPolarHBondContact O-CB 3.3Å; L473-S477 PolarHBondContact O-N 3.45Å; L473-S477 PolarHBondContact O-OG 3.39Å; L473-L479 HydrophobicContact CD2-CD1 4.39Å; L473-L479 HydrophobicContact CG-CD1 4.2Å; L473-F484 HydrophobicContact CD2-CE2 3.63Å; L473-F484 HydrophobicContact CD2-CZ 3.71Å
474Y91.2Very high89.4Confident49 Ų4946.8 Ų46.819%0.19227%0.271CS..Hα-helixtrans-63.1-40.5177.5174.2-98.9000112.3L470 I471 L479 F587 K594 T606L470-Y474 WeakPolarHBondContact O-CB 3.25Å; L470-Y474 PolarHBondContact O-N 2.93Å; I471-Y474 PolarHBondContact O-N 2.65Å; Y474-L479 WeakPolarHBondContact CE2-O 3.46Å; Y474-F587 AromaticContact CD1-CE2 3.55Å; Y474-F587 HydrophobicContact CD1-CE2 3.55Å; Y474-F587 AromaticContact CD1-CZ 3.68Å; Y474-F587 HydrophobicContact CD1-CZ 3.68Å; Y474-F587 AromaticContact CE1-CE2 3.67Å; Y474-F587 HydrophobicContact CE1-CE2 3.67Å; Y474-F587 AromaticContact CE1-CZ 3.75Å; Y474-F587 HydrophobicContact CE1-CZ 3.75Å; Y474-K594 PolarHBondContact OH-NZ 3.31Å; Y474-T606 HydrophobicContact CD1-CG2 4.29Å; Y474-T606 HydrophobicContact CD2-CG2 4.36Å; Y474-T606 HydrophobicContact CG-CG2 3.93Å
475K89.5Confident89.6Confident121 Ų12146 Ų4653%0.52627%0.267SS..Hα-helixtrans-73.3-32.8178.3-73.4175.2-179.1170.10113.3I471 D472 S477I471-K475 HydrophobicContact CG2-CD 4.02Å; I471-K475 HydrophobicContact CG2-CG 4.41Å; I471-K475 WeakPolarHBondContact O-CG 3.31Å; I471-K475 PolarHBondContact O-N 2.79Å; D472-K475 PolarHBondContact O-N 2.76Å; K475-S477 VanDerWaalsContact C-N 3.33Å
476S86Confident89.7Confident93 Ų9340.8 Ų40.865%0.6524%0.244SC*.THydrogen-bonded Turntrans-87.52.1-177.358.50000114D472 L473D472-S476 VanDerWaalsContact O-CB 3.31Å; D472-S476 WeakPolarHBondContact O-CB 3.28Å; D472-S476 PolarHBondContact O-N 3.02Å; D472-S476 PolarHBondContact O-OG 2.68Å; L473-S476 WeakPolarHBondContact CA-OG 3.35Å; L473-S476 PolarHBondContact O-N 2.8Å; L473-S476 PolarHBondContact O-OG 2.84Å
477S81.8Confident89.8Confident26 Ų2639.3 Ų39.318%0.18224%0.235CC..SBendtrans-145.3154.9-178.966.30000112.9L473 K475 L479L473-S477 WeakPolarHBondContact O-CB 3.3Å; L473-S477 PolarHBondContact O-N 3.45Å; L473-S477 PolarHBondContact O-OG 3.39Å; K475-S477 VanDerWaalsContact C-N 3.33Å; S477-L479 PolarHBondContact O-N 2.7Å; S477-L479 WeakPolarHBondContact OG-CD1 3.3Å; S477-L479 WeakPolarHBondContact OG-CG 3.2Å
478D80.1Confident89.8Confident176 Ų17639.2 Ų39.294%0.94124%0.235SC*.  trans-77.440.5177.9-59.3-43.5000113
479L82.1Confident89.9Confident23 Ų2338.8 Ų38.812%0.1223%0.23CC..PPolyproline II helixtrans-79.1139.9-177.6-73.6176.1000111.5K389 L473 Y474 S477 E483 F484K389-L479 HydrophobicContact CD-CD1 4.26Å; K389-L479 HydrophobicContact CD-CD2 4.13Å; L473-L479 HydrophobicContact CD2-CD1 4.39Å; L473-L479 HydrophobicContact CG-CD1 4.2Å; Y474-L479 WeakPolarHBondContact CE2-O 3.46Å; S477-L479 PolarHBondContact O-N 2.7Å; S477-L479 WeakPolarHBondContact OG-CD1 3.3Å; S477-L479 WeakPolarHBondContact OG-CG 3.2Å; L479-E483 HydrophobicContact CD2-CG 4.18Å; L479-F484 HydrophobicContact CD1-CE2 3.68Å; L479-F484 HydrophobicContact CD1-CZ 4.08Å
480P84.3Confident89.9Confident56 Ų5638.6 Ų38.636%0.36422%0.222SC..PPolyproline II helixtrans-65.1139.9169.929.2-33000109.6E483P480-E483 HydrophobicContact CG-CB 4.47Å; P480-E483 WeakPolarHBondContact CG-OE2 3.19Å; P480-E483 WeakPolarHBondContact O-CB 2.95Å; P480-E483 PolarHBondContact O-N 3.36Å
481G85.9Confident89.9Confident18 Ų1839 Ų3919%0.18622%0.224CC..THydrogen-bonded Turntrans-55.7140.8171.100000110.9T606G481-T606 WeakPolarHBondContact CA-O 3.38Å
482G89.5Confident89.8Confident17 Ų1740 Ų4018%0.17523%0.229CC..THydrogen-bonded Turntrans82.83.7-176.500000115.6F484 S485 E604 T606G482-F484 PolarHBondContact O-N 2.66Å; G482-F484 VanDerWaalsContact O-N 3.08Å; G482-S485 VanDerWaalsContact O-CB 3.31Å; G482-S485 WeakPolarHBondContact O-CB 3.13Å; G482-S485 PolarHBondContact O-N 3.28Å; G482-S485 PolarHBondContact O-OG 3.01Å; G482-E604 VanDerWaalsContact CA-OE2 3.25Å; G482-E604 WeakPolarHBondContact CA-OE2 3.4Å; G482-E604 PolarHBondContact N-OE2 3.23Å; G482-T606 PolarHBondContact N-OG1 3.47Å
483E90.3Very high89.8Confident15 Ų1538.1 Ų38.17%0.0722%0.215CC..THydrogen-bonded Turntrans-51.6-34.2179.5177.962.2-137.100113.3R392 R427 L479 P480R392-E483 IonicContact CZ-OE1 3.73Å; R392-E483 IonicContact NH1-OE1 3.62Å; R392-E483 PolarHBondContact NH1-OE1 2.73Å; R392-E483 IonicContact NH2-OE1 2.72Å; R392-E483 PolarHBondContact NH2-OE1 3.3Å; R427-E483 IonicContact CZ-OE1 2.7Å; R427-E483 VanDerWaalsContact CZ-OE1 3.26Å; R427-E483 IonicContact CZ-OE2 2.65Å; R427-E483 VanDerWaalsContact CZ-OE2 3.25Å; R427-E483 IonicContact NE-OE1 2.91Å; R427-E483 IonicContact NH1-OE1 2.9Å; R427-E483 PolarHBondContact NH1-OE1 2.86Å; R427-E483 IonicContact NH1-OE2 2.79Å; R427-E483 PolarHBondContact NH1-OE2 2.99Å; R427-E483 IonicContact NH2-OE1 3.19Å; R427-E483 IonicContact NH2-OE2 3.31Å; R427-E483 PolarHBondContact NH2-OE2 2.7Å; R427-E483 VanDerWaalsContact NH2-OE2 3.16Å; L479-E483 HydrophobicContact CD2-CG 4.18Å; P480-E483 HydrophobicContact CG-CB 4.47Å; P480-E483 WeakPolarHBondContact CG-OE2 3.19Å; P480-E483 WeakPolarHBondContact O-CB 2.95Å; P480-E483 PolarHBondContact O-N 3.36Å
484F93.6Very high89.9Confident5 Ų539.6 Ų39.62%0.02222%0.223CC..THydrogen-bonded Turntrans-107.916.3-175.8-60.8-74000113.5Y385 Q388 K389 L470 L473 L479 G482 T486 C487 F488Y385-F484 HydrophobicContact CD1-CB 3.93Å; Y385-F484 AromaticContact CD1-CD1 3.84Å; Y385-F484 HydrophobicContact CD1-CD1 3.84Å; Y385-F484 HydrophobicContact CD1-CD2 4.28Å; Y385-F484 HydrophobicContact CD1-CE1 4.44Å; Y385-F484 AromaticContact CD1-CG 3.75Å; Y385-F484 HydrophobicContact CD1-CG 3.75Å; Y385-F484 HydrophobicContact CE1-CB 4.23Å; Y385-F484 HydrophobicContact CG-CD1 4.44Å; Y385-F484 HydrophobicContact CG-CG 4.41Å; Y385-F484 WeakPolarHBondContact O-CE1 3.4Å; Y385-F484 WeakPolarHBondContact O-CZ 3.42Å; Q388-F484 HydrophobicContact CB-CE1 4.24Å; Q388-F484 HydrophobicContact CG-CD1 4.36Å; Q388-F484 HydrophobicContact CG-CE1 4.27Å; K389-F484 HydrophobicContact CB-CE1 4.42Å; K389-F484 HydrophobicContact CB-CZ 4.2Å; L470-F484 HydrophobicContact CD1-CB 3.99Å; L470-F484 HydrophobicContact CD1-CD2 3.47Å; L470-F484 VanDerWaalsContact CD1-CD2 3.47Å; L470-F484 HydrophobicContact CD1-CE2 4.29Å; L470-F484 HydrophobicContact CD1-CG 4.04Å; L473-F484 HydrophobicContact CD2-CE2 3.63Å; L473-F484 HydrophobicContact CD2-CZ 3.71Å; L479-F484 HydrophobicContact CD1-CE2 3.68Å; L479-F484 HydrophobicContact CD1-CZ 4.08Å; G482-F484 PolarHBondContact O-N 2.66Å; G482-F484 VanDerWaalsContact O-N 3.08Å; F484-T486 PolarHBondContact O-N 2.88Å; F484-C487 VanDerWaalsContact O-CB 3.25Å; F484-C487 WeakPolarHBondContact O-CB 3.48Å; F484-C487 PolarHBondContact O-N 2.55Å; F484-C487 PolarHBondContact O-SG 3.35Å; F484-F488 WeakPolarHBondContact O-CD2 3.47Å
485S92.3Very high90Very high34 Ų3437.9 Ų37.924%0.23822%0.216CC..G310 helixtrans-51.9-30.6177.552.30000113.7G482 C487 F488 T489G482-S485 VanDerWaalsContact O-CB 3.31Å; G482-S485 WeakPolarHBondContact O-CB 3.13Å; G482-S485 PolarHBondContact O-N 3.28Å; G482-S485 PolarHBondContact O-OG 3.01Å; S485-C487 PolarHBondContact O-N 2.9Å; S485-F488 CarbonylContact O-C 3.54Å; S485-F488 PolarHBondContact O-N 3.28Å; S485-T489 PolarHBondContact O-N 3.05Å
486T93.3Very high90.2Very high20 Ų2032.1 Ų32.112%0.12319%0.191CC..G310 helixtrans-62-25.9175.259.90000113.6Q388 L447 A449 F484 F488 T489Q388-T486 PolarHBondContact NE2-OG1 3.17Å; L447-T486 HydrophobicContact CB-CG2 4.21Å; L447-T486 HydrophobicContact CD1-CG2 4.19Å; L447-T486 HydrophobicContact CD2-CG2 4.29Å; L447-T486 HydrophobicContact CG-CG2 4.48Å; A449-T486 WeakPolarHBondContact CB-OG1 3.43Å; F484-T486 PolarHBondContact O-N 2.88Å; T486-F488 PolarHBondContact O-N 3.13Å; T486-T489 WeakPolarHBondContact CA-OG1 3.33Å; T486-T489 PolarHBondContact O-OG1 3.08Å
487C94.8Very high90.5Very high0 Ų034.9 Ų34.90%019%0.187CC..G310 helixtrans-65.9-26.5174.2-51.80000111.7Y385 Q388 F450 A452 F484 S485Y385-C487 HydrophobicContact CE1-CB 4.32Å; Q388-C487 PolarHBondContact OE1-SG 3.16Å; F450-C487 WeakPolarHBondContact O-CB 3.5Å; F450-C487 PolarHBondContact O-SG 2.8Å; A452-C487 HydrophobicContact CB-CB 3.92Å; F484-C487 VanDerWaalsContact O-CB 3.25Å; F484-C487 WeakPolarHBondContact O-CB 3.48Å; F484-C487 PolarHBondContact O-N 2.55Å; F484-C487 PolarHBondContact O-SG 3.35Å; S485-C487 PolarHBondContact O-N 2.9Å
488F94.8Very high91Very high0 Ų038 Ų380%021%0.209CC..G310 helixtrans-110.713-172.1-55.3-83000113Y385 A452 L453 V466 Y467 L470 F484 S485 T486 V490 L491 Q492 A603 E604Y385-F488 HydrophobicContact CE1-CE2 4.22Å; Y385-F488 HydrophobicContact CE1-CZ 4.28Å; Y385-F488 VanDerWaalsContact OH-CZ 3.25Å; Y385-F488 WeakPolarHBondContact OH-CZ 3.33Å; A452-F488 HydrophobicContact CB-CE1 4.41Å; A452-F488 HydrophobicContact CB-CZ 4.31Å; L453-F488 HydrophobicContact CD1-CD1 4.48Å; L453-F488 HydrophobicContact CD2-CD1 3.88Å; L453-F488 HydrophobicContact CD2-CE1 4.01Å; L453-F488 HydrophobicContact CG-CD1 4.3Å; V466-F488 HydrophobicContact CG1-CE1 3.89Å; V466-F488 HydrophobicContact CG1-CZ 4.15Å; Y467-F488 HydrophobicContact CD1-CE1 4.17Å; Y467-F488 HydrophobicContact CD1-CZ 4.18Å; Y467-F488 HydrophobicContact CE1-CD1 4.16Å; Y467-F488 AromaticContact CE1-CE1 3.59Å; Y467-F488 HydrophobicContact CE1-CE1 3.59Å; Y467-F488 AromaticContact CE1-CZ 3.99Å; Y467-F488 HydrophobicContact CE1-CZ 3.99Å; L470-F488 HydrophobicContact CD2-CE2 3.64Å; L470-F488 HydrophobicContact CD2-CZ 3.83Å; F484-F488 WeakPolarHBondContact O-CD2 3.47Å; S485-F488 CarbonylContact O-C 3.54Å; S485-F488 PolarHBondContact O-N 3.28Å; T486-F488 PolarHBondContact O-N 3.13Å; F488-V490 PolarHBondContact O-N 3.07Å; F488-L491 HydrophobicContact CB-CD1 4.44Å; F488-L491 HydrophobicContact CD1-CD1 4Å; F488-L491 WeakPolarHBondContact O-CA 3.35Å; F488-L491 WeakPolarHBondContact O-CB 3.24Å; F488-L491 PolarHBondContact O-N 3.27Å; F488-Q492 PolarHBondContact O-N 2.87Å; F488-Q492 VanDerWaalsContact O-N 3.09Å; F488-A603 HydrophobicContact CB-CB 4Å; F488-A603 WeakPolarHBondContact CD1-O 3.38Å; F488-A603 WeakPolarHBondContact CG-O 3.11Å; F488-E604 HydrophobicContact CD2-CB 3.9Å; F488-E604 HydrophobicContact CD2-CG 3.53Å; F488-E604 HydrophobicContact CE2-CB 4.4Å; F488-E604 HydrophobicContact CE2-CG 3.63Å; F488-E604 HydrophobicContact CG-CB 4.35Å; F488-E604 HydrophobicContact CG-CG 4.42Å
489T93.1Very high91.7Very high10 Ų1031.7 Ų31.76%0.06117%0.172CC..Hα-helixtrans-55.2-30.9-178.4-66.20000113.5V376 S485 T486 L491 R493V376-T489 HydrophobicContact CG2-CG2 3.88Å; S485-T489 PolarHBondContact O-N 3.05Å; T486-T489 WeakPolarHBondContact CA-OG1 3.33Å; T486-T489 PolarHBondContact O-OG1 3.08Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 3.37Å; T489-R493 WeakPolarHBondContact O-CB 3.35Å; T489-R493 PolarHBondContact O-N 3.46Å
490V92.6Very high92.4Very high32 Ų3232.1 Ų32.119%0.19418%0.176CC..Hα-helixtrans-61.1-43.6174.2175.40000111.1V356 L453 F488 N494V356-V490 HydrophobicContact CG1-CG2 3.86Å; V356-V490 HydrophobicContact CG2-CG2 4.1Å; L453-V490 HydrophobicContact CD1-CB 4.4Å; F488-V490 PolarHBondContact O-N 3.07Å; V490-N494 WeakPolarHBondContact O-CB 3.24Å; V490-N494 PolarHBondContact O-N 2.87Å; V490-N494 PolarHBondContact O-ND2 3.36Å; V490-N494 PolarHBondContact O-OD1 2.91Å
491L93.7Very high92.9Very high8 Ų833.7 Ų33.74%0.04219%0.185CC..Hα-helixtrans-70.1-45.7179.3-56.8178.3000111.1L453 L456 P462 F488 T489 R493 N494 F495 N576 A603L453-L491 HydrophobicContact CD1-CD1 3.99Å; L453-L491 HydrophobicContact CD1-CD2 4.21Å; L453-L491 HydrophobicContact CD1-CG 3.73Å; L453-L491 HydrophobicContact CD2-CD1 4.06Å; L456-L491 HydrophobicContact CD2-CD2 3.89Å; P462-L491 HydrophobicContact CG-CD1 3.6Å; P462-L491 HydrophobicContact CG-CD2 4.36Å; F488-L491 HydrophobicContact CB-CD1 4.44Å; F488-L491 HydrophobicContact CD1-CD1 4Å; F488-L491 WeakPolarHBondContact O-CA 3.35Å; F488-L491 WeakPolarHBondContact O-CB 3.24Å; F488-L491 PolarHBondContact O-N 3.27Å; T489-L491 VanDerWaalsContact C-N 3.34Å; T489-L491 PolarHBondContact O-N 3.37Å; L491-R493 VanDerWaalsContact C-N 3.29Å; L491-R493 PolarHBondContact O-N 2.72Å; L491-N494 PolarHBondContact O-N 3.38Å; L491-F495 WeakPolarHBondContact O-CB 3.42Å; L491-F495 PolarHBondContact O-N 2.88Å; L491-N576 HydrophobicContact CD1-CB 4.08Å; L491-A603 HydrophobicContact CB-CB 3.69Å
492Q93.4Very high93.5Very high23 Ų2334.6 Ų34.611%0.10718%0.184CC..Hα-helixtrans-56.6-44.8175.3-66178.1-31.100111.5F488 D601 A603F488-Q492 PolarHBondContact O-N 2.87Å; F488-Q492 VanDerWaalsContact O-N 3.09Å; Q492-D601 PolarHBondContact NE2-OD2 2.86Å; Q492-A603 HydrophobicContact CB-CB 4.29Å; Q492-A603 HydrophobicContact CG-CB 3.36Å
493R92.5Very high93.9Very high50 Ų5033.8 Ų33.819%0.18918%0.176CC..Hα-helixtrans-61.7-51.7176.5-179.6-16868-164.61.1110.6A362 T489 L491 F495 I496 R497A362-R493 HydrophobicContact CB-CG 4Å; A362-R493 WeakPolarHBondContact O-CG 3.24Å; T489-R493 WeakPolarHBondContact O-CB 3.35Å; T489-R493 PolarHBondContact O-N 3.46Å; L491-R493 VanDerWaalsContact C-N 3.29Å; L491-R493 PolarHBondContact O-N 2.72Å; R493-F495 VanDerWaalsContact C-N 3.3Å; R493-F495 PolarHBondContact O-N 2.94Å; R493-I496 PolarHBondContact O-N 3.46Å; R493-R497 WeakPolarHBondContact O-CB 3.41Å; R493-R497 PolarHBondContact O-N 3.13Å
494N92.3Very high94.2Very high56 Ų5634.8 Ų34.830%0.29918%0.18SC..Hα-helixtrans-63.7-37-175.4-69.3-4.5000111.8V490 L491 I496 R497 S498V490-N494 WeakPolarHBondContact O-CB 3.24Å; V490-N494 PolarHBondContact O-N 2.87Å; V490-N494 PolarHBondContact O-ND2 3.36Å; V490-N494 PolarHBondContact O-OD1 2.91Å; L491-N494 PolarHBondContact O-N 3.38Å; N494-I496 VanDerWaalsContact C-N 3.27Å; N494-I496 PolarHBondContact O-N 2.83Å; N494-R497 PolarHBondContact O-N 2.89Å; N494-S498 PolarHBondContact O-N 2.71Å; N494-S498 PolarHBondContact O-OG 3.04Å
495F94.4Very high94.3Very high12 Ų1235.3 Ų35.35%0.05318%0.183CC..Hα-helixtrans-57.9-36.7177-179-98.5000113.3L491 R493 R499 L535 I538 W573 V575 P602L491-F495 WeakPolarHBondContact O-CB 3.42Å; L491-F495 PolarHBondContact O-N 2.88Å; R493-F495 VanDerWaalsContact C-N 3.3Å; R493-F495 PolarHBondContact O-N 2.94Å; F495-R499 VanDerWaalsContact CZ-NH2 3.31Å; F495-R499 WeakPolarHBondContact O-CG 3.18Å; F495-R499 PolarHBondContact O-NE 3.07Å; F495-L535 HydrophobicContact CD1-CD2 4.16Å; F495-L535 HydrophobicContact CE1-CD2 3.72Å; F495-I538 HydrophobicContact CD1-CD1 4.12Å; F495-I538 HydrophobicContact CE1-CD1 3.69Å; F495-I538 HydrophobicContact CE1-CG2 4.01Å; F495-I538 HydrophobicContact CZ-CG2 4.02Å; F495-W573 AromaticContact CE2-CD1 3.93Å; F495-W573 HydrophobicContact CE2-CD2 4.44Å; F495-W573 HydrophobicContact CE2-CG 4.07Å; F495-W573 AromaticContact CZ-CD1 3.85Å; F495-W573 AromaticContact CZ-CD2 3.93Å; F495-W573 HydrophobicContact CZ-CD2 3.93Å; F495-W573 AromaticContact CZ-CE2 3.73Å; F495-W573 HydrophobicContact CZ-CG 4.02Å; F495-W573 HydrophobicContact CZ-CZ2 4.29Å; F495-W573 AromaticContact CZ-NE1 3.66Å; F495-V575 HydrophobicContact CD2-CG2 4.18Å; F495-V575 HydrophobicContact CE2-CG2 3.9Å; F495-P602 HydrophobicContact CB-CG 4.48Å; F495-P602 HydrophobicContact CD1-CB 4.38Å; F495-P602 HydrophobicContact CD1-CG 3.62Å; F495-P602 HydrophobicContact CD2-CB 3.86Å; F495-P602 HydrophobicContact CD2-CG 3.99Å; F495-P602 HydrophobicContact CE1-CB 4.36Å; F495-P602 HydrophobicContact CE1-CG 3.73Å; F495-P602 HydrophobicContact CE2-CB 3.82Å; F495-P602 HydrophobicContact CE2-CG 4.08Å; F495-P602 HydrophobicContact CG-CB 4.14Å; F495-P602 HydrophobicContact CG-CG 3.76Å; F495-P602 HydrophobicContact CZ-CB 4.09Å; F495-P602 HydrophobicContact CZ-CG 3.96Å
496I94.3Very high94.6Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-91.3-38.9178.8-60.2-176.7000111.4K363 T365 R493 N494 S498 R499 I507 Y531 E534 I538K363-I496 HydrophobicContact CB-CB 4.13Å; K363-I496 HydrophobicContact CB-CG2 3.93Å; K363-I496 HydrophobicContact CD-CD1 3.7Å; K363-I496 HydrophobicContact CG-CB 4.15Å; K363-I496 HydrophobicContact CG-CD1 4.2Å; K363-I496 HydrophobicContact CG-CG2 4.43Å; T365-I496 HydrophobicContact CG2-CG2 3.69Å; R493-I496 PolarHBondContact O-N 3.46Å; N494-I496 VanDerWaalsContact C-N 3.27Å; N494-I496 PolarHBondContact O-N 2.83Å; I496-S498 VanDerWaalsContact C-N 3.26Å; I496-S498 PolarHBondContact O-N 2.91Å; I496-R499 VanDerWaalsContact O-CB 3.32Å; I496-R499 WeakPolarHBondContact O-CB 3.38Å; I496-R499 WeakPolarHBondContact O-CG 3.34Å; I496-R499 PolarHBondContact O-N 2.78Å; I496-I507 HydrophobicContact CG2-CD1 4.37Å; I496-Y531 HydrophobicContact CD1-CE2 3.94Å; I496-E534 HydrophobicContact CD1-CB 4.41Å; I496-E534 WeakPolarHBondContact CD1-OE2 3.48Å; I496-I538 HydrophobicContact CD1-CD1 4.36Å; I496-I538 HydrophobicContact CG1-CD1 3.83Å
497R92Very high94.8Very high151 Ų15132.7 Ų32.757%0.5717%0.166SC*.Hα-helixtrans-63-33-173.5-166.217799.2161.76.1112.7R493 N494 R499R493-R497 WeakPolarHBondContact O-CB 3.41Å; R493-R497 PolarHBondContact O-N 3.13Å; N494-R497 PolarHBondContact O-N 2.89Å; R497-R499 PolarHBondContact O-N 3.37Å
498S90.9Very high94.9Very high92 Ų9234 Ų3464%0.64317%0.17SC*.THydrogen-bonded Turntrans-72.1-9.4178.260.50000114N494 I496N494-S498 PolarHBondContact O-N 2.71Å; N494-S498 PolarHBondContact O-OG 3.04Å; I496-S498 VanDerWaalsContact C-N 3.26Å; I496-S498 PolarHBondContact O-N 2.91Å
499R95.3Very high95Very high43 Ų4334 Ų3416%0.16217%0.17CC..SBendtrans-78.8153.1-175.1-54.6-53.3176.7152.610.2112.9F495 I496 R497 L503 K504 E542F495-R499 VanDerWaalsContact CZ-NH2 3.31Å; F495-R499 WeakPolarHBondContact O-CG 3.18Å; F495-R499 PolarHBondContact O-NE 3.07Å; I496-R499 VanDerWaalsContact O-CB 3.32Å; I496-R499 WeakPolarHBondContact O-CB 3.38Å; I496-R499 WeakPolarHBondContact O-CG 3.34Å; I496-R499 PolarHBondContact O-N 2.78Å; R497-R499 PolarHBondContact O-N 3.37Å; R499-L503 HydrophobicContact CB-CD2 3.93Å; R499-L503 HydrophobicContact CG-CD2 4.18Å; R499-K504 WeakPolarHBondContact O-CE 3.41Å; R499-K504 PolarHBondContact O-NZ 2.93Å; R499-E542 IonicContact CZ-OE1 2.73Å; R499-E542 IonicContact NH1-OE1 3.2Å; R499-E542 PolarHBondContact NH1-OE1 3.11Å; R499-E542 IonicContact NH2-OE1 3.87Å; R499-E542 PolarHBondContact NH2-OE1 2.98Å
500P97.1Very high95.2Very high32 Ų3233.5 Ų33.521%0.20817%0.168CC..  trans-53.2150.1178.9-27.235.5000113.2K502 L503 K504 W541 P548P500-K502 VanDerWaalsContact C-N 3.28Å; P500-K502 PolarHBondContact O-N 2.64Å; P500-L503 PolarHBondContact O-N 2.89Å; P500-L503 VanDerWaalsContact O-N 3.16Å; P500-K504 PolarHBondContact O-N 3.05Å; P500-K504 VanDerWaalsContact O-N 3.12Å; P500-W541 HydrophobicContact CG-CH2 4.23Å; P500-W541 HydrophobicContact CG-CZ2 3.94Å; P500-P548 HydrophobicContact CB-CB 4.19Å; P500-P548 HydrophobicContact CG-CB 4.17Å
501T95.4Very high95.3Very high89 Ų8932.5 Ų32.555%0.54616%0.16SC..Hα-helixtrans-57.3-42.8178.3-59.80000111.8L503 K504 D505T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 3.47Å; T501-K504 WeakPolarHBondContact O-CB 3.36Å; T501-K504 PolarHBondContact O-N 3.33Å; T501-K504 VanDerWaalsContact O-N 3.09Å; T501-D505 PolarHBondContact O-N 3.25Å
502K97.3Very high95.2Very high37 Ų3732.8 Ų32.816%0.16116%0.162CC..Hα-helixtrans-58.6-41.1176.9-166.270.3167.8-172.10113D313 P500 D505 L506 P548 F550 T552D313-K502 IonicContact OD1-NZ 2.88Å; D313-K502 PolarHBondContact OD1-NZ 2.85Å; D313-K502 IonicContact OD2-NZ 3.19Å; D313-K502 PolarHBondContact OD2-NZ 3.44Å; P500-K502 VanDerWaalsContact C-N 3.28Å; P500-K502 PolarHBondContact O-N 2.64Å; K502-D505 WeakPolarHBondContact O-CB 3.49Å; K502-D505 PolarHBondContact O-N 2.92Å; K502-L506 PolarHBondContact O-N 2.9Å; K502-P548 VanDerWaalsContact CB-O 3.27Å; K502-P548 WeakPolarHBondContact CB-O 3.23Å; K502-F550 HydrophobicContact CB-CD1 4.46Å; K502-F550 HydrophobicContact CB-CE1 3.96Å; K502-F550 HydrophobicContact CB-CZ 4.3Å; K502-F550 WeakPolarHBondContact CE-O 3.05Å; K502-F550 HydrophobicContact CG-CD1 3.96Å; K502-F550 HydrophobicContact CG-CD2 4.35Å; K502-F550 HydrophobicContact CG-CE1 3.68Å; K502-F550 HydrophobicContact CG-CE2 4.09Å; K502-F550 HydrophobicContact CG-CG 4.31Å; K502-F550 HydrophobicContact CG-CZ 3.76Å; K502-T552 VanDerWaalsContact CE-OG1 3.28Å; K502-T552 WeakPolarHBondContact CE-OG1 3.44Å; K502-T552 PolarHBondContact NZ-OG1 3.41Å
503L98.1Very high95.3Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-65.6-40.1174.5-175.957.7000112.3R499 P500 T501 D505 L506 I507 T537 I538 W541 F550R499-L503 HydrophobicContact CB-CD2 3.93Å; R499-L503 HydrophobicContact CG-CD2 4.18Å; P500-L503 PolarHBondContact O-N 2.89Å; P500-L503 VanDerWaalsContact O-N 3.16Å; T501-L503 VanDerWaalsContact C-N 3.33Å; T501-L503 PolarHBondContact O-N 3.47Å; L503-D505 PolarHBondContact O-N 3.38Å; L503-L506 HydrophobicContact CD1-CD2 4.26Å; L503-L506 PolarHBondContact O-N 2.88Å; L503-I507 HydrophobicContact CG-CD1 4.3Å; L503-I507 VanDerWaalsContact O-CG1 3.32Å; L503-I507 WeakPolarHBondContact O-CG1 3.47Å; L503-I507 PolarHBondContact O-N 2.78Å; L503-T537 HydrophobicContact CD1-CG2 4.1Å; L503-I538 HydrophobicContact CD2-CG1 4.18Å; L503-W541 HydrophobicContact CD1-CB 3.54Å; L503-W541 HydrophobicContact CD1-CD2 4.27Å; L503-W541 HydrophobicContact CD1-CG 3.7Å; L503-W541 HydrophobicContact CD2-CB 4.22Å; L503-W541 HydrophobicContact CD2-CD2 3.59Å; L503-W541 HydrophobicContact CD2-CE3 3.44Å; L503-W541 VanDerWaalsContact CD2-CE3 3.44Å; L503-W541 HydrophobicContact CD2-CG 3.94Å; L503-W541 HydrophobicContact CD2-CZ3 4.08Å; L503-W541 HydrophobicContact CG-CD2 4.39Å; L503-W541 HydrophobicContact CG-CG 4.32Å; L503-F550 HydrophobicContact CB-CE1 4.28Å; L503-F550 HydrophobicContact CB-CZ 4.43Å; L503-F550 HydrophobicContact CD1-CZ 4.34Å
504K96.6Very high95.3Very high36 Ų3629.5 Ų29.516%0.15715%0.148CC..Hα-helixtrans-63.4-32.1175.1-68.2176.9-63.4-160.10111.7T365 R499 P500 T501 I507 R508T365-K504 HydrophobicContact CG2-CB 4.08Å; T365-K504 HydrophobicContact CG2-CG 3.97Å; R499-K504 WeakPolarHBondContact O-CE 3.41Å; R499-K504 PolarHBondContact O-NZ 2.93Å; P500-K504 PolarHBondContact O-N 3.05Å; P500-K504 VanDerWaalsContact O-N 3.12Å; T501-K504 WeakPolarHBondContact O-CB 3.36Å; T501-K504 PolarHBondContact O-N 3.33Å; T501-K504 VanDerWaalsContact O-N 3.09Å; K504-I507 PolarHBondContact O-N 3.32Å; K504-R508 WeakPolarHBondContact O-CG 3.32Å; K504-R508 PolarHBondContact O-N 2.92Å
505D97.1Very high95.2Very high16 Ų1628.7 Ų28.79%0.08614%0.142CC..Hα-helixtrans-69.2-42.7173.5-74.1-20.3000112.6I316 Q321 T501 K502 L503 I507 R508 L509I316-D505 HydrophobicContact CD1-CB 4.24Å; I316-D505 HydrophobicContact CG2-CB 3.85Å; Q321-D505 PolarHBondContact NE2-OD1 3.38Å; Q321-D505 PolarHBondContact NE2-OD2 3.24Å; T501-D505 PolarHBondContact O-N 3.25Å; K502-D505 WeakPolarHBondContact O-CB 3.49Å; K502-D505 PolarHBondContact O-N 2.92Å; L503-D505 PolarHBondContact O-N 3.38Å; D505-I507 VanDerWaalsContact C-N 3.32Å; D505-I507 PolarHBondContact O-N 3.27Å; D505-R508 WeakPolarHBondContact O-CB 3.46Å; D505-R508 PolarHBondContact O-N 2.76Å; D505-R508 VanDerWaalsContact O-N 3.16Å; D505-R508 IonicContact OD1-CZ 2.74Å; D505-R508 IonicContact OD1-NH1 2.68Å; D505-R508 PolarHBondContact OD1-NH1 3.25Å; D505-L509 PolarHBondContact O-N 3.04Å
506L98.4Very high94.9Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-60.2-42.4170.4178.861.1000111.7K502 L503 R508 L509 V510 T537 F550 T552 F556 W644K502-L506 PolarHBondContact O-N 2.9Å; L503-L506 HydrophobicContact CD1-CD2 4.26Å; L503-L506 PolarHBondContact O-N 2.88Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 2.84Å; L506-L509 WeakPolarHBondContact O-CB 3.46Å; L506-L509 PolarHBondContact O-N 3.03Å; L506-L509 VanDerWaalsContact O-N 3.11Å; L506-V510 HydrophobicContact CD1-CG2 4.34Å; L506-V510 WeakPolarHBondContact O-CG2 3.38Å; L506-V510 PolarHBondContact O-N 2.91Å; L506-T537 HydrophobicContact CB-CG2 4.38Å; L506-T537 HydrophobicContact CD2-CG2 3.7Å; L506-T537 HydrophobicContact CG-CG2 3.67Å; L506-F550 HydrophobicContact CB-CE2 4.22Å; L506-F550 HydrophobicContact CB-CZ 4.1Å; L506-F550 HydrophobicContact CD2-CE2 3.9Å; L506-F550 HydrophobicContact CD2-CZ 4.06Å; L506-T552 HydrophobicContact CD1-CG2 4.41Å; L506-F556 HydrophobicContact CD1-CB 3.85Å; L506-W644 HydrophobicContact CD2-CH2 4.14Å; L506-W644 HydrophobicContact CD2-CZ3 4.43Å
507I97.6Very high94.7Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-59.7-41.6175-68.4166.5000110.9T365 I496 L503 K504 D505 L509 V510 K511 E534 T537 I538T365-I507 HydrophobicContact CG2-CB 4.19Å; T365-I507 HydrophobicContact CG2-CD1 4.19Å; T365-I507 HydrophobicContact CG2-CG2 3.81Å; I496-I507 HydrophobicContact CG2-CD1 4.37Å; L503-I507 HydrophobicContact CG-CD1 4.3Å; L503-I507 VanDerWaalsContact O-CG1 3.32Å; L503-I507 WeakPolarHBondContact O-CG1 3.47Å; L503-I507 PolarHBondContact O-N 2.78Å; K504-I507 PolarHBondContact O-N 3.32Å; D505-I507 VanDerWaalsContact C-N 3.32Å; D505-I507 PolarHBondContact O-N 3.27Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 2.7Å; I507-V510 PolarHBondContact O-N 2.97Å; I507-K511 HydrophobicContact CG2-CD 3.67Å; I507-K511 HydrophobicContact CG2-CG 4.24Å; I507-K511 WeakPolarHBondContact O-CB 3.39Å; I507-K511 WeakPolarHBondContact O-CD 3.02Å; I507-K511 WeakPolarHBondContact O-CG 3.27Å; I507-K511 PolarHBondContact O-N 3.12Å; I507-E534 HydrophobicContact CG2-CB 4.3Å; I507-E534 HydrophobicContact CG2-CG 3.87Å; I507-T537 HydrophobicContact CG1-CG2 3.7Å; I507-I538 HydrophobicContact CD1-CD1 4.21Å; I507-I538 HydrophobicContact CD1-CG1 3.97Å
508R95.6Very high94.5Very high26 Ų2625.2 Ų25.210%0.09813%0.133CC..Hα-helixtrans-59.8-44.5174-73.9176.6-177.893.36.4111.3L320 G364 A366 L367 K504 D505 L506 K511 H512L320-R508 HydrophobicContact CB-CB 4.43Å; G364-R508 PolarHBondContact O-NH2 3.2Å; A366-R508 PolarHBondContact O-NE 3.12Å; L367-R508 HydrophobicContact CD2-CB 3.77Å; L367-R508 HydrophobicContact CD2-CG 4.09Å; L367-R508 WeakPolarHBondContact CD2-O 3.34Å; K504-R508 WeakPolarHBondContact O-CG 3.32Å; K504-R508 PolarHBondContact O-N 2.92Å; D505-R508 WeakPolarHBondContact O-CB 3.46Å; D505-R508 PolarHBondContact O-N 2.76Å; D505-R508 VanDerWaalsContact O-N 3.16Å; D505-R508 IonicContact OD1-CZ 2.74Å; D505-R508 IonicContact OD1-NH1 2.68Å; D505-R508 PolarHBondContact OD1-NH1 3.25Å; L506-R508 VanDerWaalsContact C-N 3.31Å; L506-R508 PolarHBondContact O-N 2.84Å; R508-K511 PolarHBondContact O-N 2.72Å; R508-H512 WeakPolarHBondContact O-CB 3.46Å; R508-H512 PolarHBondContact O-N 3.16Å
509L96.8Very high94.1Very high0 Ų026 Ų260%012%0.121CC..Hα-helixtrans-59.9-49.7178.7-167.267.4000111.6L304 L312 F315 I316 L320 D505 L506 I507 K511 H512 W513 T552 F556L304-L509 HydrophobicContact CD1-CD1 3.48Å; L304-L509 VanDerWaalsContact CD1-CD1 3.48Å; L304-L509 HydrophobicContact CD1-CG 4.47Å; L304-L509 HydrophobicContact CD2-CD1 3.77Å; L304-L509 HydrophobicContact CD2-CG 4.25Å; L304-L509 HydrophobicContact CG-CD1 4.29Å; L312-L509 HydrophobicContact CB-CD2 4.47Å; L312-L509 HydrophobicContact CD1-CD2 4.06Å; L312-L509 HydrophobicContact CD2-CD1 4.46Å; L312-L509 HydrophobicContact CD2-CD2 4.26Å; F315-L509 HydrophobicContact CD1-CD1 4.22Å; F315-L509 HydrophobicContact CE1-CD1 4.44Å; I316-L509 HydrophobicContact CD1-CB 4.1Å; I316-L509 HydrophobicContact CD1-CD1 4.33Å; I316-L509 HydrophobicContact CD1-CD2 4.34Å; I316-L509 HydrophobicContact CG1-CB 4.28Å; I316-L509 HydrophobicContact CG1-CD1 3.98Å; L320-L509 HydrophobicContact CD1-CB 4.49Å; L320-L509 HydrophobicContact CD1-CD1 3.89Å; D505-L509 PolarHBondContact O-N 3.04Å; L506-L509 WeakPolarHBondContact O-CB 3.46Å; L506-L509 PolarHBondContact O-N 3.03Å; L506-L509 VanDerWaalsContact O-N 3.11Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 2.7Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 PolarHBondContact O-N 2.77Å; L509-H512 WeakPolarHBondContact O-CB 3.5Å; L509-H512 PolarHBondContact O-N 3.35Å; L509-H512 VanDerWaalsContact O-N 3.16Å; L509-W513 PolarHBondContact O-N 2.98Å; L509-T552 HydrophobicContact CD2-CG2 3.76Å; L509-F556 HydrophobicContact CD2-CB 3.93Å; L509-F556 HydrophobicContact CD2-CD1 3.87Å; L509-F556 HydrophobicContact CD2-CD2 4.21Å; L509-F556 HydrophobicContact CD2-CE1 4.46Å; L509-F556 HydrophobicContact CD2-CG 3.74Å; L509-F556 HydrophobicContact CG-CD2 4.46Å; L509-F556 HydrophobicContact CG-CG 4.42Å
510V97.6Very high93.5Very high1 Ų127.4 Ų27.41%0.00613%0.129CC..Hα-helixtrans-62-40.7177.6173.30000111.3L506 I507 H512 W513 Y514 L533 T537 F556 V559L506-V510 HydrophobicContact CD1-CG2 4.34Å; L506-V510 WeakPolarHBondContact O-CG2 3.38Å; L506-V510 PolarHBondContact O-N 2.91Å; I507-V510 PolarHBondContact O-N 2.97Å; V510-H512 VanDerWaalsContact C-N 3.33Å; V510-H512 PolarHBondContact O-N 3.21Å; V510-W513 HydrophobicContact CG1-CE3 4.42Å; V510-W513 PolarHBondContact O-N 3.09Å; V510-Y514 VanDerWaalsContact O-CB 3.29Å; V510-Y514 WeakPolarHBondContact O-CB 3.45Å; V510-Y514 PolarHBondContact O-N 3.44Å; V510-L533 HydrophobicContact CG1-CB 3.98Å; V510-T537 HydrophobicContact CG2-CG2 4.41Å; V510-F556 HydrophobicContact CG2-CD2 3.92Å; V510-F556 HydrophobicContact CG2-CE2 4.3Å; V510-V559 HydrophobicContact CG1-CG1 4.05Å; V510-V559 HydrophobicContact CG2-CB 4.27Å; V510-V559 HydrophobicContact CG2-CG1 3.99Å; V510-V559 HydrophobicContact CG2-CG2 4.33Å
511K94.4Very high93Very high10 Ų1026.2 Ų26.24%0.04312%0.121CC..Hα-helixtrans-64.3-38.6175.4-74.2169.171.3158.80112.4S360 T365 L367 I507 R508 L509 Y514 K515 E534S360-K511 VanDerWaalsContact CB-NZ 3.35Å; S360-K511 PolarHBondContact OG-NZ 2.95Å; T365-K511 PolarHBondContact O-NZ 2.94Å; T365-K511 PolarHBondContact OG1-NZ 3.39Å; L367-K511 HydrophobicContact CD1-CB 4.31Å; I507-K511 HydrophobicContact CG2-CD 3.67Å; I507-K511 HydrophobicContact CG2-CG 4.24Å; I507-K511 WeakPolarHBondContact O-CB 3.39Å; I507-K511 WeakPolarHBondContact O-CD 3.02Å; I507-K511 WeakPolarHBondContact O-CG 3.27Å; I507-K511 PolarHBondContact O-N 3.12Å; R508-K511 PolarHBondContact O-N 2.72Å; L509-K511 VanDerWaalsContact C-N 3.33Å; L509-K511 PolarHBondContact O-N 2.77Å; K511-Y514 PolarHBondContact O-N 3.3Å; K511-K515 WeakPolarHBondContact O-CG 3.43Å; K511-K515 PolarHBondContact O-N 2.8Å; K511-E534 HydrophobicContact CD-CG 4.09Å; K511-E534 WeakPolarHBondContact CD-OE1 3.36Å; K511-E534 WeakPolarHBondContact CE-OE1 3.42Å; K511-E534 HydrophobicContact CG-CG 4.32Å; K511-E534 IonicContact NZ-OE1 3.93Å; K511-E534 PolarHBondContact NZ-OE1 2.8Å
512H92.6Very high92.3Very high14 Ų1429.6 Ų29.67%0.06513%0.128CC..Hα-helixtrans-64.9-50.9176.6-177.181.3000110.6L300 L320 L367 R508 L509 V510 Y514 K515 E516L300-H512 VanDerWaalsContact CD1-CE1 3.46Å; L300-H512 WeakPolarHBondContact CD1-CE1 3.4Å; L320-H512 HydrophobicContact CD1-CB 3.81Å; L320-H512 HydrophobicContact CD2-CB 3.88Å; L320-H512 VanDerWaalsContact CD2-ND1 3.34Å; L320-H512 WeakPolarHBondContact CD2-ND1 3.26Å; L367-H512 HydrophobicContact CD2-CB 4.41Å; R508-H512 WeakPolarHBondContact O-CB 3.46Å; R508-H512 PolarHBondContact O-N 3.16Å; L509-H512 WeakPolarHBondContact O-CB 3.5Å; L509-H512 PolarHBondContact O-N 3.35Å; L509-H512 VanDerWaalsContact O-N 3.16Å; V510-H512 VanDerWaalsContact C-N 3.33Å; V510-H512 PolarHBondContact O-N 3.21Å; H512-Y514 VanDerWaalsContact C-N 3.3Å; H512-Y514 PolarHBondContact O-N 3.06Å; H512-K515 WeakPolarHBondContact O-CB 3.41Å; H512-K515 PolarHBondContact O-N 3.28Å; H512-K515 VanDerWaalsContact O-N 3.08Å; H512-E516 IonicContact CD2-OE2 3.12Å; H512-E516 PolarHBondContact O-N 3.44Å
513W94.7Very high91.7Very high0 Ų033.5 Ų33.50%016%0.157CC..Hα-helixtrans-53.2-46.9172.8167.575.7000112L304 L509 V510 K515 E516 C517 F556 L560 V563 L620 A624 W627L304-W513 HydrophobicContact CD2-CB 4.1Å; L509-W513 PolarHBondContact O-N 2.98Å; V510-W513 HydrophobicContact CG1-CE3 4.42Å; V510-W513 PolarHBondContact O-N 3.09Å; W513-K515 VanDerWaalsContact C-N 3.34Å; W513-K515 PolarHBondContact O-N 3.07Å; W513-E516 WeakPolarHBondContact O-CB 3.46Å; W513-E516 PolarHBondContact O-N 2.86Å; W513-E516 VanDerWaalsContact O-N 3.08Å; W513-C517 PolarHBondContact O-N 3.33Å; W513-C517 PolarHBondContact O-SG 2.96Å; W513-F556 HydrophobicContact CB-CE2 3.98Å; W513-F556 HydrophobicContact CB-CZ 3.88Å; W513-F556 HydrophobicContact CD2-CE2 4.44Å; W513-F556 HydrophobicContact CG-CE2 4.06Å; W513-F556 AromaticContact CG-CZ 3.89Å; W513-F556 HydrophobicContact CG-CZ 3.89Å; W513-L560 HydrophobicContact CD2-CD2 3.77Å; W513-L560 HydrophobicContact CE3-CD2 3.96Å; W513-L560 HydrophobicContact CH2-CD2 3.42Å; W513-L560 VanDerWaalsContact CH2-CD2 3.42Å; W513-L560 HydrophobicContact CZ2-CD2 3.24Å; W513-L560 HydrophobicContact CZ3-CD2 3.79Å; W513-V563 HydrophobicContact CH2-CG1 4.43Å; W513-V563 HydrophobicContact CH2-CG2 4.5Å; W513-L620 HydrophobicContact CH2-CD1 3.55Å; W513-L620 HydrophobicContact CH2-CD2 4.14Å; W513-L620 HydrophobicContact CH2-CG 3.7Å; W513-L620 HydrophobicContact CZ2-CD1 4.05Å; W513-L620 HydrophobicContact CZ2-CG 4.47Å; W513-L620 HydrophobicContact CZ3-CD1 4.09Å; W513-L620 HydrophobicContact CZ3-CD2 4.36Å; W513-L620 HydrophobicContact CZ3-CG 4.36Å; W513-A624 HydrophobicContact CH2-CB 4.44Å; W513-A624 HydrophobicContact CZ2-CB 4.17Å; W513-W627 AromaticContact CD1-CD2 3.5Å; W513-W627 AromaticContact CD1-CE2 3.35Å; W513-W627 AromaticContact CD1-CE3 3.77Å; W513-W627 AromaticContact CD1-CH2 3.73Å; W513-W627 AromaticContact CD1-CZ2 3.48Å; W513-W627 VanDerWaalsContact CD1-CZ2 3.48Å; W513-W627 AromaticContact CD1-CZ3 3.87Å; W513-W627 AromaticContact CD1-NE1 3.88Å; W513-W627 AromaticContact NE1-CD1 3.62Å; W513-W627 AromaticContact NE1-CD2 3.44Å; W513-W627 AromaticContact NE1-CE2 3.43Å; W513-W627 AromaticContact NE1-CG 3.57Å; W513-W627 AromaticContact NE1-NE1 3.51Å
514Y94Very high91Very high4 Ų440.3 Ų40.32%0.01619%0.186CC..Hα-helixtrans-62.4-38.5178.2179.1-87.4000112.2V510 K511 H512 E516 C517 E518 L527 P528 K530 L533 L620V510-Y514 VanDerWaalsContact O-CB 3.29Å; V510-Y514 WeakPolarHBondContact O-CB 3.45Å; V510-Y514 PolarHBondContact O-N 3.44Å; K511-Y514 PolarHBondContact O-N 3.3Å; H512-Y514 VanDerWaalsContact C-N 3.3Å; H512-Y514 PolarHBondContact O-N 3.06Å; Y514-E516 VanDerWaalsContact C-N 3.33Å; Y514-E516 PolarHBondContact O-N 3.19Å; Y514-C517 WeakPolarHBondContact O-CB 3.12Å; Y514-C517 PolarHBondContact O-N 2.94Å; Y514-E518 HydrophobicContact CD1-CG 3.95Å; Y514-E518 HydrophobicContact CE1-CG 3.38Å; Y514-E518 WeakPolarHBondContact CE1-OE1 3.18Å; Y514-E518 PolarHBondContact O-N 3.04Å; Y514-L527 HydrophobicContact CE2-CB 4.29Å; Y514-L527 HydrophobicContact CE2-CD1 4.39Å; Y514-L527 VanDerWaalsContact OH-CB 3.27Å; Y514-L527 WeakPolarHBondContact OH-CB 3.4Å; Y514-P528 WeakPolarHBondContact CE2-O 3.49Å; Y514-P528 PolarHBondContact OH-O 3.07Å; Y514-K530 HydrophobicContact CD1-CD 4.37Å; Y514-K530 HydrophobicContact CD1-CG 3.54Å; Y514-K530 HydrophobicContact CE1-CB 4.48Å; Y514-K530 HydrophobicContact CE1-CD 4.29Å; Y514-K530 HydrophobicContact CE1-CG 3.37Å; Y514-L533 HydrophobicContact CD2-CD2 3.74Å; Y514-L533 HydrophobicContact CD2-CG 3.89Å; Y514-L533 HydrophobicContact CE2-CD2 3.74Å; Y514-L533 HydrophobicContact CE2-CG 4.41Å; Y514-L620 HydrophobicContact CD2-CD1 4.2Å; Y514-L620 HydrophobicContact CD2-CD2 4.25Å; Y514-L620 HydrophobicContact CE2-CD1 4.48Å; Y514-L620 HydrophobicContact CE2-CD2 4.3Å
515K89.3Confident90.6Very high39 Ų3939.6 Ų39.617%0.1719%0.189CC..Hα-helixtrans-62.6-37.7172.9-78.4-175.2176.2-171.60111.7L367 T369 K511 H512 W513 E518 R519L367-K515 HydrophobicContact CD1-CD 3.84Å; T369-K515 PolarHBondContact O-NZ 3.37Å; K511-K515 WeakPolarHBondContact O-CG 3.43Å; K511-K515 PolarHBondContact O-N 2.8Å; H512-K515 WeakPolarHBondContact O-CB 3.41Å; H512-K515 PolarHBondContact O-N 3.28Å; H512-K515 VanDerWaalsContact O-N 3.08Å; W513-K515 VanDerWaalsContact C-N 3.34Å; W513-K515 PolarHBondContact O-N 3.07Å; K515-E518 PolarHBondContact O-N 3.13Å; K515-R519 WeakPolarHBondContact O-CG 3.43Å; K515-R519 PolarHBondContact O-N 3.47Å
516E87Confident90.4Very high40 Ų4042.5 Ų42.519%0.18721%0.211CC..Hα-helixtrans-63.3-42.8173.3-64.6-174.7119.600111.1H512 W513 Y514 R519 K520 W627H512-E516 IonicContact CD2-OE2 3.12Å; H512-E516 PolarHBondContact O-N 3.44Å; W513-E516 WeakPolarHBondContact O-CB 3.46Å; W513-E516 PolarHBondContact O-N 2.86Å; W513-E516 VanDerWaalsContact O-N 3.08Å; Y514-E516 VanDerWaalsContact C-N 3.33Å; Y514-E516 PolarHBondContact O-N 3.19Å; E516-R519 PolarHBondContact O-N 3.11Å; E516-K520 PolarHBondContact O-N 3.3Å; E516-W627 WeakPolarHBondContact OE2-CH2 3.44Å
517C90.1Very high90.2Very high1 Ų143.3 Ų43.31%0.00722%0.215CC..Hα-helixtrans-61.8-45.8175.1-60.10000112.1W513 Y514 R519 K520 L521 L620W513-C517 PolarHBondContact O-N 3.33Å; W513-C517 PolarHBondContact O-SG 2.96Å; Y514-C517 WeakPolarHBondContact O-CB 3.12Å; Y514-C517 PolarHBondContact O-N 2.94Å; C517-R519 VanDerWaalsContact C-N 3.27Å; C517-R519 PolarHBondContact O-N 3.1Å; C517-K520 PolarHBondContact O-N 2.93Å; C517-K520 VanDerWaalsContact O-N 3.07Å; C517-L521 HydrophobicContact CB-CD1 4.24Å; C517-L521 WeakPolarHBondContact O-CB 3.28Å; C517-L521 WeakPolarHBondContact O-CG 3.41Å; C517-L521 PolarHBondContact O-N 2.67Å; C517-L620 HydrophobicContact CB-CD1 3.88Å
518E87.9Confident90.1Very high49 Ų4943.3 Ų43.323%0.22922%0.215CC..Hα-helixtrans-54.5-43.7176.4-80.7-175.2129.800111.3Y514 K515 K520 L521 K522 L527 K530Y514-E518 HydrophobicContact CD1-CG 3.95Å; Y514-E518 HydrophobicContact CE1-CG 3.38Å; Y514-E518 WeakPolarHBondContact CE1-OE1 3.18Å; Y514-E518 PolarHBondContact O-N 3.04Å; K515-E518 PolarHBondContact O-N 3.13Å; E518-K520 VanDerWaalsContact C-N 3.26Å; E518-K520 PolarHBondContact O-N 3.23Å; E518-L521 PolarHBondContact O-N 2.98Å; E518-K522 WeakPolarHBondContact O-CB 3.24Å; E518-K522 PolarHBondContact O-N 2.96Å; E518-L527 HydrophobicContact CG-CD1 3.97Å; E518-K530 IonicContact OE1-NZ 2.77Å; E518-K530 WeakPolarHBondContact OE2-CE 3.49Å; E518-K530 IonicContact OE2-NZ 2.75Å; E518-K530 PolarHBondContact OE2-NZ 2.9Å
519R82.9Confident89.9Confident108 Ų10844.2 Ų44.241%0.40822%0.224SC..Hα-helixtrans-61.6-34.2179.3-69.3177.4-173.5123.3-9.7112.8K515 E516 C517K515-R519 WeakPolarHBondContact O-CG 3.43Å; K515-R519 PolarHBondContact O-N 3.47Å; E516-R519 PolarHBondContact O-N 3.11Å; C517-R519 VanDerWaalsContact C-N 3.27Å; C517-R519 PolarHBondContact O-N 3.1Å
520K82.4Confident89.8Confident74 Ų7447.7 Ų47.732%0.32224%0.24SC..Hα-helixtrans-84.8-36.8-179.4-174.7-177.8177.6-168.20112.6E516 C517 E518 E623 E626E516-K520 PolarHBondContact O-N 3.3Å; C517-K520 PolarHBondContact O-N 2.93Å; C517-K520 VanDerWaalsContact O-N 3.07Å; E518-K520 VanDerWaalsContact C-N 3.26Å; E518-K520 PolarHBondContact O-N 3.23Å; K520-E623 WeakPolarHBondContact CD-OE2 3.33Å; K520-E623 WeakPolarHBondContact CE-OE2 3.48Å; K520-E623 IonicContact NZ-OE1 2.62Å; K520-E623 PolarHBondContact NZ-OE1 3.26Å; K520-E623 IonicContact NZ-OE2 2.97Å; K520-E623 PolarHBondContact NZ-OE2 3.39Å; K520-E626 IonicContact NZ-OE2 3.59Å; K520-E626 PolarHBondContact NZ-OE2 3.16Å
521L87.8Confident89.6Confident7 Ų749 Ų494%0.03725%0.245CC..Hα-helixtrans-109.4-17.2-164.4-57.5175.9000114.4C517 E518 P523 K524 G525 L527 L619 E623C517-L521 HydrophobicContact CB-CD1 4.24Å; C517-L521 WeakPolarHBondContact O-CB 3.28Å; C517-L521 WeakPolarHBondContact O-CG 3.41Å; C517-L521 PolarHBondContact O-N 2.67Å; E518-L521 PolarHBondContact O-N 2.98Å; L521-P523 VanDerWaalsContact C-N 3.3Å; L521-K524 HydrophobicContact CD2-CD 4.24Å; L521-K524 WeakPolarHBondContact O-CA 3.41Å; L521-K524 WeakPolarHBondContact O-CB 3.35Å; L521-K524 PolarHBondContact O-N 2.88Å; L521-G525 PolarHBondContact O-N 3.07Å; L521-L527 HydrophobicContact CB-CD1 4.17Å; L521-L527 HydrophobicContact CB-CD2 4.24Å; L521-L527 HydrophobicContact CD1-CD2 4.31Å; L521-L619 HydrophobicContact CD1-CB 4.23Å; L521-E623 HydrophobicContact CD1-CB 4.24Å
522K79.9Confident89.7Confident159 Ų15948.6 Ų48.669%0.69124%0.243SC*.THydrogen-bonded Turntrans-54.9-34.8-179.7-174.5175.9-175-179.40114.5E518 K524E518-K522 WeakPolarHBondContact O-CB 3.24Å; E518-K522 PolarHBondContact O-N 2.96Å; K522-K524 PolarHBondContact O-N 2.8Å
523P84.1Confident90Very high119 Ų11948 Ų4877%0.77324%0.24SC*.THydrogen-bonded Turntrans-67.7-17.3172.5-21.634.6000114.4L521L521-P523 VanDerWaalsContact C-N 3.3Å
524K85.1Confident90.1Very high143 Ų14348.2 Ų48.262%0.62224%0.241SC*.THydrogen-bonded Turntrans-98.1-19.1-173.6-56.6-175.8-179-177.10113.6L521 K522 L619L521-K524 HydrophobicContact CD2-CD 4.24Å; L521-K524 WeakPolarHBondContact O-CA 3.41Å; L521-K524 WeakPolarHBondContact O-CB 3.35Å; L521-K524 PolarHBondContact O-N 2.88Å; K522-K524 PolarHBondContact O-N 2.8Å; K524-L619 HydrophobicContact CB-CD1 4Å
525G88.4Confident90.3Very high21 Ų2148 Ų4822%0.21624%0.24CC..  trans170170.1179.900000114.3L521 L527L521-G525 PolarHBondContact O-N 3.07Å; G525-L527 PolarHBondContact O-N 3.01Å
526S91.3Very high90.8Very high78 Ų7846.1 Ų46.155%0.54523%0.232SC..  trans-82.3108.5177.6-57.60000110.9C616S526-C616 PolarHBondContact O-N 3.22Å
527L94.9Very high91.3Very high17 Ų1744.2 Ų44.29%0.08922%0.223CC..PPolyproline II helixtrans-74.2155176.4-62.5-174.5000111.9Y514 E518 L521 G525 L619Y514-L527 HydrophobicContact CE2-CB 4.29Å; Y514-L527 HydrophobicContact CE2-CD1 4.39Å; Y514-L527 VanDerWaalsContact OH-CB 3.27Å; Y514-L527 WeakPolarHBondContact OH-CB 3.4Å; E518-L527 HydrophobicContact CG-CD1 3.97Å; L521-L527 HydrophobicContact CB-CD1 4.17Å; L521-L527 HydrophobicContact CB-CD2 4.24Å; L521-L527 HydrophobicContact CD1-CD2 4.31Å; G525-L527 PolarHBondContact O-N 3.01Å; L527-L619 HydrophobicContact CD2-CB 4.25Å
528P94.8Very high91.7Very high0 Ų044.2 Ų44.20%022%0.223CC..PPolyproline II helixtrans-62.2151175.927.3-36.9000111.4Y514 A532 L533 W615 W617 L620Y514-P528 WeakPolarHBondContact CE2-O 3.49Å; Y514-P528 PolarHBondContact OH-O 3.07Å; P528-A532 HydrophobicContact CB-CB 4.49Å; P528-L533 HydrophobicContact CG-CD2 4.14Å; P528-W615 HydrophobicContact CB-CB 3.92Å; P528-W615 HydrophobicContact CB-CG 3.95Å; P528-W617 HydrophobicContact CB-CD2 4.19Å; P528-W617 VanDerWaalsContact CB-CE2 3.5Å; P528-W617 HydrophobicContact CB-CH2 4.15Å; P528-W617 HydrophobicContact CB-CZ2 3.48Å; P528-W617 VanDerWaalsContact CB-CZ2 3.48Å; P528-W617 HydrophobicContact CG-CD2 3.82Å; P528-W617 HydrophobicContact CG-CE3 4.07Å; P528-W617 HydrophobicContact CG-CG 4.43Å; P528-W617 HydrophobicContact CG-CH2 4.01Å; P528-W617 HydrophobicContact CG-CZ2 3.75Å; P528-W617 HydrophobicContact CG-CZ3 4.16Å; P528-L620 HydrophobicContact CG-CD2 4.13Å
529P93Very high92.2Very high44 Ų4443.6 Ų43.629%0.28622%0.219SC..PPolyproline II helixtrans-61.1146.9-176.526.1-35.1000112Y531 A532 V609P529-Y531 PolarHBondContact O-N 3.44Å; P529-A532 HydrophobicContact CG-CB 4.21Å; P529-A532 VanDerWaalsContact O-CB 3.28Å; P529-A532 WeakPolarHBondContact O-CB 3.39Å; P529-A532 PolarHBondContact O-N 2.83Å; P529-V609 HydrophobicContact CG-CB 4.11Å
530K93.1Very high93Very high74 Ų7438.5 Ų38.532%0.32220%0.2SC..Hα-helixtrans-47.8-37.2175.8-74170.7179.7155.90113.1Y514 E518 A532 L533 E534Y514-K530 HydrophobicContact CD1-CD 4.37Å; Y514-K530 HydrophobicContact CD1-CG 3.54Å; Y514-K530 HydrophobicContact CE1-CB 4.48Å; Y514-K530 HydrophobicContact CE1-CD 4.29Å; Y514-K530 HydrophobicContact CE1-CG 3.37Å; E518-K530 IonicContact OE1-NZ 2.77Å; E518-K530 WeakPolarHBondContact OE2-CE 3.49Å; E518-K530 IonicContact OE2-NZ 2.75Å; E518-K530 PolarHBondContact OE2-NZ 2.9Å; K530-A532 VanDerWaalsContact C-N 3.28Å; K530-A532 PolarHBondContact O-N 2.82Å; K530-L533 PolarHBondContact O-N 2.74Å; K530-L533 VanDerWaalsContact O-N 3.13Å; K530-E534 PolarHBondContact O-N 3.26Å; K530-E534 VanDerWaalsContact O-N 3.11Å
531Y94.3Very high93.7Very high29 Ų2936 Ų3611%0.11419%0.188CC..Hα-helixtrans-63.1-31.8179.6-172.9-137.8000113.1I496 P529 L533 E534 L535 D601 V609I496-Y531 HydrophobicContact CD1-CE2 3.94Å; P529-Y531 PolarHBondContact O-N 3.44Å; Y531-L533 VanDerWaalsContact C-N 3.28Å; Y531-L533 PolarHBondContact O-N 2.83Å; Y531-E534 HydrophobicContact CD2-CB 4.23Å; Y531-E534 PolarHBondContact O-N 3.45Å; Y531-L535 HydrophobicContact CD1-CD1 4.38Å; Y531-L535 HydrophobicContact CD2-CG 4.21Å; Y531-L535 HydrophobicContact CE1-CD1 3.96Å; Y531-L535 HydrophobicContact CE1-CG 4.42Å; Y531-L535 HydrophobicContact CE2-CD1 4.27Å; Y531-L535 HydrophobicContact CE2-CD2 3.81Å; Y531-L535 HydrophobicContact CE2-CG 3.84Å; Y531-L535 WeakPolarHBondContact O-CG 3.35Å; Y531-L535 PolarHBondContact O-N 2.92Å; Y531-D601 HydrophobicContact CE1-CB 4.33Å; Y531-D601 PolarHBondContact OH-OD1 3.44Å; Y531-D601 VanDerWaalsContact OH-OD1 3.13Å; Y531-V609 HydrophobicContact CD1-CG1 4.06Å
532A97.1Very high94.2Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-61.2-38.4173.800000111.8P528 P529 K530 L535 L536 V609 W617P528-A532 HydrophobicContact CB-CB 4.49Å; P529-A532 HydrophobicContact CG-CB 4.21Å; P529-A532 VanDerWaalsContact O-CB 3.28Å; P529-A532 WeakPolarHBondContact O-CB 3.39Å; P529-A532 PolarHBondContact O-N 2.83Å; K530-A532 VanDerWaalsContact C-N 3.28Å; K530-A532 PolarHBondContact O-N 2.82Å; A532-L535 PolarHBondContact O-N 3.1Å; A532-L536 VanDerWaalsContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CB 3.36Å; A532-L536 PolarHBondContact O-N 3.01Å; A532-V609 HydrophobicContact CB-CB 4.11Å; A532-V609 HydrophobicContact CB-CG2 3.78Å; A532-W617 HydrophobicContact CB-CH2 4.31Å; A532-W617 HydrophobicContact CB-CZ2 4.16Å
533L97.9Very high95Very high1 Ų135 Ų351%0.00519%0.186CC..Hα-helixtrans-75.9-32.2177.7-70.1-55.6000112V510 Y514 P528 K530 Y531 L535 L536 T537 V563 W617 L620V510-L533 HydrophobicContact CG1-CB 3.98Å; Y514-L533 HydrophobicContact CD2-CD2 3.74Å; Y514-L533 HydrophobicContact CD2-CG 3.89Å; Y514-L533 HydrophobicContact CE2-CD2 3.74Å; Y514-L533 HydrophobicContact CE2-CG 4.41Å; P528-L533 HydrophobicContact CG-CD2 4.14Å; K530-L533 PolarHBondContact O-N 2.74Å; K530-L533 VanDerWaalsContact O-N 3.13Å; Y531-L533 VanDerWaalsContact C-N 3.28Å; Y531-L533 PolarHBondContact O-N 2.83Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L533-L536 HydrophobicContact CD1-CD2 4.16Å; L533-T537 WeakPolarHBondContact O-CB 3.43Å; L533-T537 PolarHBondContact O-N 3.24Å; L533-T537 PolarHBondContact O-OG1 3.25Å; L533-V563 HydrophobicContact CD1-CG2 3.9Å; L533-W617 HydrophobicContact CD1-CH2 4.35Å; L533-W617 HydrophobicContact CD1-CZ3 4.24Å; L533-W617 HydrophobicContact CD2-CH2 4.46Å; L533-L620 HydrophobicContact CD1-CD2 4.08Å; L533-L620 HydrophobicContact CD2-CD2 4.35Å
534E97.5Very high95.6Very high5 Ų530.5 Ų30.52%0.02316%0.162CC..Hα-helixtrans-59.9-46.6169.6-62-173.817100110.7K363 I496 I507 K511 K530 Y531 T537 I538K363-E534 IonicContact NZ-OE2 3.77Å; K363-E534 PolarHBondContact NZ-OE2 2.81Å; I496-E534 HydrophobicContact CD1-CB 4.41Å; I496-E534 WeakPolarHBondContact CD1-OE2 3.48Å; I507-E534 HydrophobicContact CG2-CB 4.3Å; I507-E534 HydrophobicContact CG2-CG 3.87Å; K511-E534 HydrophobicContact CD-CG 4.09Å; K511-E534 WeakPolarHBondContact CD-OE1 3.36Å; K511-E534 WeakPolarHBondContact CE-OE1 3.42Å; K511-E534 HydrophobicContact CG-CG 4.32Å; K511-E534 IonicContact NZ-OE1 3.93Å; K511-E534 PolarHBondContact NZ-OE1 2.8Å; K530-E534 PolarHBondContact O-N 3.26Å; K530-E534 VanDerWaalsContact O-N 3.11Å; Y531-E534 HydrophobicContact CD2-CB 4.23Å; Y531-E534 PolarHBondContact O-N 3.45Å; E534-T537 PolarHBondContact O-N 3.08Å; E534-I538 WeakPolarHBondContact O-CG1 3.39Å; E534-I538 PolarHBondContact O-N 2.74Å; E534-I538 VanDerWaalsContact O-N 3.14Å
535L98.4Very high96.1Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-68.1-41.5178.4-69.2-174.8000112.6F495 Y531 A532 L533 T537 I538 Y539 W573 I599 P602 V609F495-L535 HydrophobicContact CD1-CD2 4.16Å; F495-L535 HydrophobicContact CE1-CD2 3.72Å; Y531-L535 HydrophobicContact CD1-CD1 4.38Å; Y531-L535 HydrophobicContact CD2-CG 4.21Å; Y531-L535 HydrophobicContact CE1-CD1 3.96Å; Y531-L535 HydrophobicContact CE1-CG 4.42Å; Y531-L535 HydrophobicContact CE2-CD1 4.27Å; Y531-L535 HydrophobicContact CE2-CD2 3.81Å; Y531-L535 HydrophobicContact CE2-CG 3.84Å; Y531-L535 WeakPolarHBondContact O-CG 3.35Å; Y531-L535 PolarHBondContact O-N 2.92Å; A532-L535 PolarHBondContact O-N 3.1Å; L533-L535 VanDerWaalsContact C-N 3.34Å; L535-T537 VanDerWaalsContact C-N 3.27Å; L535-T537 PolarHBondContact O-N 3.34Å; L535-I538 PolarHBondContact O-N 3.08Å; L535-Y539 PolarHBondContact O-N 3.38Å; L535-W573 HydrophobicContact CB-CH2 3.81Å; L535-W573 HydrophobicContact CB-CZ3 4.22Å; L535-W573 HydrophobicContact CD1-CZ3 4.17Å; L535-W573 HydrophobicContact CD2-CH2 4.29Å; L535-W573 HydrophobicContact CD2-CZ3 4.33Å; L535-W573 HydrophobicContact CG-CH2 4.45Å; L535-W573 HydrophobicContact CG-CZ3 4.48Å; L535-I599 HydrophobicContact CB-CG2 4.04Å; L535-I599 HydrophobicContact CD1-CG2 4.13Å; L535-P602 HydrophobicContact CD2-CG 3.9Å; L535-V609 HydrophobicContact CD1-CG2 3.86Å
536L98.6Very high96.3Very high0 Ų026.2 Ų26.20%015%0.152CC..Hα-helixtrans-61.1-37.9175.3-173.663000111.7A532 L533 Y539 A540 V559 L562 V563 L569 I571A532-L536 VanDerWaalsContact O-CB 3.31Å; A532-L536 WeakPolarHBondContact O-CB 3.36Å; A532-L536 PolarHBondContact O-N 3.01Å; L533-L536 HydrophobicContact CD1-CD2 4.16Å; L536-Y539 HydrophobicContact CD1-CD1 4.45Å; L536-Y539 PolarHBondContact O-N 2.88Å; L536-A540 WeakPolarHBondContact O-CB 3.31Å; L536-A540 PolarHBondContact O-N 2.91Å; L536-V559 HydrophobicContact CD2-CG1 4.43Å; L536-L562 HydrophobicContact CD1-CB 4.11Å; L536-L562 HydrophobicContact CD1-CD1 4.04Å; L536-L562 HydrophobicContact CD2-CB 4.26Å; L536-L562 HydrophobicContact CG-CB 4.4Å; L536-L562 HydrophobicContact CG-CD1 4.44Å; L536-V563 HydrophobicContact CD2-CG2 3.68Å; L536-L569 HydrophobicContact CD1-CD1 3.9Å; L536-L569 HydrophobicContact CD1-CD2 4.3Å; L536-L569 HydrophobicContact CD2-CD1 4.42Å; L536-I571 HydrophobicContact CD1-CD1 3.56Å
537T98.6Very high96.5Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-65.3-41.8175.7-55.70000111.8L503 L506 I507 V510 L533 E534 L535 A540 W541 V559L503-T537 HydrophobicContact CD1-CG2 4.1Å; L506-T537 HydrophobicContact CB-CG2 4.38Å; L506-T537 HydrophobicContact CD2-CG2 3.7Å; L506-T537 HydrophobicContact CG-CG2 3.67Å; I507-T537 HydrophobicContact CG1-CG2 3.7Å; V510-T537 HydrophobicContact CG2-CG2 4.41Å; L533-T537 WeakPolarHBondContact O-CB 3.43Å; L533-T537 PolarHBondContact O-N 3.24Å; L533-T537 PolarHBondContact O-OG1 3.25Å; E534-T537 PolarHBondContact O-N 3.08Å; L535-T537 VanDerWaalsContact C-N 3.27Å; L535-T537 PolarHBondContact O-N 3.34Å; T537-A540 PolarHBondContact O-N 3.21Å; T537-W541 PolarHBondContact O-N 2.98Å; T537-W541 VanDerWaalsContact O-N 3.09Å; T537-V559 HydrophobicContact CG2-CG2 4.15Å
538I98.4Very high96.5Very high0 Ų029.4 Ų29.40%017%0.171CC..Hα-helixtrans-64.7-45.3176.2-67.9166.9000110.2F495 I496 L503 I507 E534 L535 A540 W541 E542F495-I538 HydrophobicContact CD1-CD1 4.12Å; F495-I538 HydrophobicContact CE1-CD1 3.69Å; F495-I538 HydrophobicContact CE1-CG2 4.01Å; F495-I538 HydrophobicContact CZ-CG2 4.02Å; I496-I538 HydrophobicContact CD1-CD1 4.36Å; I496-I538 HydrophobicContact CG1-CD1 3.83Å; L503-I538 HydrophobicContact CD2-CG1 4.18Å; I507-I538 HydrophobicContact CD1-CD1 4.21Å; I507-I538 HydrophobicContact CD1-CG1 3.97Å; E534-I538 WeakPolarHBondContact O-CG1 3.39Å; E534-I538 PolarHBondContact O-N 2.74Å; E534-I538 VanDerWaalsContact O-N 3.14Å; L535-I538 PolarHBondContact O-N 3.08Å; I538-A540 PolarHBondContact O-N 3.2Å; I538-W541 PolarHBondContact O-N 3.24Å; I538-E542 HydrophobicContact CG2-CG 4.11Å; I538-E542 WeakPolarHBondContact O-CB 3.38Å; I538-E542 WeakPolarHBondContact O-CG 3.25Å; I538-E542 PolarHBondContact O-N 3.34Å
539Y98.4Very high96.6Very high37 Ų3735.4 Ų35.415%0.14520%0.203CC..Hα-helixtrans-58.4-48.9176.3173.5-101.6000111.9L535 L536 W541 E542 Q543 L562 I571 V646 P647L535-Y539 PolarHBondContact O-N 3.38Å; L536-Y539 HydrophobicContact CD1-CD1 4.45Å; L536-Y539 PolarHBondContact O-N 2.88Å; Y539-W541 VanDerWaalsContact C-N 3.28Å; Y539-W541 PolarHBondContact O-N 3.5Å; Y539-E542 PolarHBondContact O-N 2.84Å; Y539-Q543 HydrophobicContact CD2-CG 3.77Å; Y539-Q543 HydrophobicContact CE1-CG 4.23Å; Y539-Q543 HydrophobicContact CE2-CG 3.39Å; Y539-Q543 HydrophobicContact CG-CG 4.34Å; Y539-Q543 WeakPolarHBondContact O-CB 3.37Å; Y539-Q543 WeakPolarHBondContact O-CG 3.41Å; Y539-Q543 PolarHBondContact O-N 3.4Å; Y539-L562 HydrophobicContact CD1-CD1 4.31Å; Y539-I571 HydrophobicContact CD1-CD1 3.51Å; Y539-I571 HydrophobicContact CD1-CG1 4.06Å; Y539-I571 HydrophobicContact CD2-CB 4.44Å; Y539-I571 HydrophobicContact CD2-CD1 4.28Å; Y539-I571 HydrophobicContact CD2-CG1 4.1Å; Y539-I571 HydrophobicContact CD2-CG2 3.56Å; Y539-I571 HydrophobicContact CE1-CD1 3.89Å; Y539-I571 HydrophobicContact CE1-CG1 4.08Å; Y539-I571 HydrophobicContact CE2-CG1 4.13Å; Y539-I571 HydrophobicContact CE2-CG2 4.18Å; Y539-I571 HydrophobicContact CG-CD1 3.72Å; Y539-I571 HydrophobicContact CG-CG1 4.05Å; Y539-I571 HydrophobicContact CG-CG2 3.83Å; Y539-V646 HydrophobicContact CD1-CG1 4.25Å; Y539-V646 HydrophobicContact CE1-CG1 3.52Å; Y539-P647 PolarHBondContact OH-O 3.29Å
540A98.4Very high96.7Very high0 Ų034.1 Ų34.10%019%0.193CC..Hα-helixtrans-55.5-45.117800000111.7L536 T537 I538 G544 T558 V559 L562L536-A540 WeakPolarHBondContact O-CB 3.31Å; L536-A540 PolarHBondContact O-N 2.91Å; T537-A540 PolarHBondContact O-N 3.21Å; I538-A540 PolarHBondContact O-N 3.2Å; A540-G544 WeakPolarHBondContact O-CA 3.44Å; A540-G544 PolarHBondContact O-N 2.88Å; A540-T558 HydrophobicContact CB-CG2 4.01Å; A540-V559 HydrophobicContact CB-CG2 3.92Å; A540-L562 HydrophobicContact CB-CD1 3.65Å
541W98.4Very high96.9Very high21 Ų2133.5 Ų33.58%0.0819%0.193CC..Hα-helixtrans-67.4-46.8176.7173.479.6000112.5P500 L503 T537 I538 Y539 Q543 S545 G546 V547 F550 W644P500-W541 HydrophobicContact CG-CH2 4.23Å; P500-W541 HydrophobicContact CG-CZ2 3.94Å; L503-W541 HydrophobicContact CD1-CB 3.54Å; L503-W541 HydrophobicContact CD1-CD2 4.27Å; L503-W541 HydrophobicContact CD1-CG 3.7Å; L503-W541 HydrophobicContact CD2-CB 4.22Å; L503-W541 HydrophobicContact CD2-CD2 3.59Å; L503-W541 HydrophobicContact CD2-CE3 3.44Å; L503-W541 VanDerWaalsContact CD2-CE3 3.44Å; L503-W541 HydrophobicContact CD2-CG 3.94Å; L503-W541 HydrophobicContact CD2-CZ3 4.08Å; L503-W541 HydrophobicContact CG-CD2 4.39Å; L503-W541 HydrophobicContact CG-CG 4.32Å; T537-W541 PolarHBondContact O-N 2.98Å; T537-W541 VanDerWaalsContact O-N 3.09Å; I538-W541 PolarHBondContact O-N 3.24Å; Y539-W541 VanDerWaalsContact C-N 3.28Å; Y539-W541 PolarHBondContact O-N 3.5Å; W541-Q543 VanDerWaalsContact C-N 3.29Å; W541-Q543 PolarHBondContact O-N 3.09Å; W541-S545 CarbonylContact O-C 3.59Å; W541-S545 PolarHBondContact O-N 3.18Å; W541-G546 WeakPolarHBondContact CZ2-O 3.48Å; W541-G546 PolarHBondContact O-N 3Å; W541-V547 PolarHBondContact NE1-O 3.02Å; W541-F550 AromaticContact CD1-CD1 3.66Å; W541-F550 AromaticContact CD1-CE1 3.46Å; W541-F550 VanDerWaalsContact CD1-CE1 3.46Å; W541-F550 HydrophobicContact CG-CE1 4.49Å; W541-F550 AromaticContact NE1-CD1 3.6Å; W541-F550 AromaticContact NE1-CE1 3.57Å; W541-W644 HydrophobicContact CB-CH2 4.38Å; W541-W644 HydrophobicContact CB-CZ3 3.93Å
542E97.8Very high97Very high53 Ų5332.2 Ų32.225%0.24819%0.188CC..Hα-helixtrans-61-37.2-179.3-76.1-179.1155.800112.5R499 I538 Y539 W573R499-E542 IonicContact CZ-OE1 2.73Å; R499-E542 IonicContact NH1-OE1 3.2Å; R499-E542 PolarHBondContact NH1-OE1 3.11Å; R499-E542 IonicContact NH2-OE1 3.87Å; R499-E542 PolarHBondContact NH2-OE1 2.98Å; I538-E542 HydrophobicContact CG2-CG 4.11Å; I538-E542 WeakPolarHBondContact O-CB 3.38Å; I538-E542 WeakPolarHBondContact O-CG 3.25Å; I538-E542 PolarHBondContact O-N 3.34Å; Y539-E542 PolarHBondContact O-N 2.84Å; E542-W573 PolarHBondContact OE2-NE1 2.98Å
543Q97.5Very high97Very high92 Ų9232.2 Ų32.243%0.4319%0.188SC..Hα-helixtrans-88.4-34.3-178.3-61.9-49.3-6000113.8Y539 W541 V646Y539-Q543 HydrophobicContact CD2-CG 3.77Å; Y539-Q543 HydrophobicContact CE1-CG 4.23Å; Y539-Q543 HydrophobicContact CE2-CG 3.39Å; Y539-Q543 HydrophobicContact CG-CG 4.34Å; Y539-Q543 WeakPolarHBondContact O-CB 3.37Å; Y539-Q543 WeakPolarHBondContact O-CG 3.41Å; Y539-Q543 PolarHBondContact O-N 3.4Å; W541-Q543 VanDerWaalsContact C-N 3.29Å; W541-Q543 PolarHBondContact O-N 3.09Å; Q543-V646 HydrophobicContact CB-CG1 3.93Å; Q543-V646 HydrophobicContact CG-CG1 4.41Å
544G95.8Very high97Very high26 Ų2635 Ų3527%0.26820%0.201SC..Hα-helixtrans-98.5-31.1-170.200000115.2A540A540-G544 WeakPolarHBondContact O-CA 3.44Å; A540-G544 PolarHBondContact O-N 2.88Å
545S94.8Very high97Very high33 Ų3334.8 Ų34.823%0.23120%0.2CC..THydrogen-bonded Turntrans-125-60.5-173174.80000112W541 V547W541-S545 CarbonylContact O-C 3.59Å; W541-S545 PolarHBondContact O-N 3.18Å; S545-V547 PolarHBondContact O-N 3.07Å; S545-V547 WeakPolarHBondContact OG-CG2 3.46Å
546G93.4Very high97Very high40 Ų4034.8 Ų34.841%0.41220%0.2SC..  trans68.1-7.4-179.500000115.3W541W541-G546 WeakPolarHBondContact CZ2-O 3.48Å; W541-G546 PolarHBondContact O-N 3Å
547V96Very high97Very high73 Ų7337.3 Ų37.344%0.44221%0.21SC..SBendtrans-95.5147.1-175.8-67.20000112.1W541 S545 D549 F550W541-V547 PolarHBondContact NE1-O 3.02Å; S545-V547 PolarHBondContact O-N 3.07Å; S545-V547 WeakPolarHBondContact OG-CG2 3.46Å; V547-D549 VanDerWaalsContact C-N 3.29Å; V547-D549 WeakPolarHBondContact CG2-O 3.13Å; V547-D549 PolarHBondContact O-N 2.89Å; V547-F550 HydrophobicContact CG2-CB 4.35Å; V547-F550 WeakPolarHBondContact O-CD1 3.48Å
548P95.1Very high97Very high89 Ų8937.5 Ų37.558%0.57821%0.211SC*.SBendtrans-65.3-27.9-178.6-24.334.8000115.2P500 K502P500-P548 HydrophobicContact CB-CB 4.19Å; P500-P548 HydrophobicContact CG-CB 4.17Å; K502-P548 VanDerWaalsContact CB-O 3.27Å; K502-P548 WeakPolarHBondContact CB-O 3.23Å
549D95.5Very high97Very high126 Ų12637.5 Ų37.567%0.67421%0.211SC*.SBendtrans-119.5127.9178.8-169.329.6000109.3V547V547-D549 VanDerWaalsContact C-N 3.29Å; V547-D549 WeakPolarHBondContact CG2-O 3.13Å; V547-D549 PolarHBondContact O-N 2.89Å
550F96.4Very high96.9Very high18 Ų1835.7 Ų35.78%0.07920%0.204CC..  trans-157.8163.5-171.860.2-99.4000110.3K502 L503 L506 W541 V547 T552 W644K502-F550 HydrophobicContact CB-CD1 4.46Å; K502-F550 HydrophobicContact CB-CE1 3.96Å; K502-F550 HydrophobicContact CB-CZ 4.3Å; K502-F550 WeakPolarHBondContact CE-O 3.05Å; K502-F550 HydrophobicContact CG-CD1 3.96Å; K502-F550 HydrophobicContact CG-CD2 4.35Å; K502-F550 HydrophobicContact CG-CE1 3.68Å; K502-F550 HydrophobicContact CG-CE2 4.09Å; K502-F550 HydrophobicContact CG-CG 4.31Å; K502-F550 HydrophobicContact CG-CZ 3.76Å; L503-F550 HydrophobicContact CB-CE1 4.28Å; L503-F550 HydrophobicContact CB-CZ 4.43Å; L503-F550 HydrophobicContact CD1-CZ 4.34Å; L506-F550 HydrophobicContact CB-CE2 4.22Å; L506-F550 HydrophobicContact CB-CZ 4.1Å; L506-F550 HydrophobicContact CD2-CE2 3.9Å; L506-F550 HydrophobicContact CD2-CZ 4.06Å; W541-F550 AromaticContact CD1-CD1 3.66Å; W541-F550 AromaticContact CD1-CE1 3.46Å; W541-F550 VanDerWaalsContact CD1-CE1 3.46Å; W541-F550 HydrophobicContact CG-CE1 4.49Å; W541-F550 AromaticContact NE1-CD1 3.6Å; W541-F550 AromaticContact NE1-CE1 3.57Å; V547-F550 HydrophobicContact CG2-CB 4.35Å; V547-F550 WeakPolarHBondContact O-CD1 3.48Å; F550-T552 PolarHBondContact O-N 3.49Å; F550-W644 HydrophobicContact CB-CZ2 3.97Å; F550-W644 AromaticContact CD2-CH2 3.63Å; F550-W644 HydrophobicContact CD2-CH2 3.63Å; F550-W644 AromaticContact CD2-CZ2 3.42Å; F550-W644 HydrophobicContact CD2-CZ2 3.42Å; F550-W644 VanDerWaalsContact CD2-CZ2 3.42Å; F550-W644 AromaticContact CE2-CH2 3.75Å; F550-W644 HydrophobicContact CE2-CH2 3.75Å; F550-W644 HydrophobicContact CE2-CZ2 4.02Å; F550-W644 HydrophobicContact CG-CH2 4.06Å; F550-W644 AromaticContact CG-CZ2 3.77Å; F550-W644 HydrophobicContact CG-CZ2 3.77Å; F550-W644 HydrophobicContact CZ-CH2 4.26Å
551D96.1Very high96.9Very high61 Ų6137.6 Ų37.633%0.32621%0.212SC..  trans-74.3121175-175.4-71.2000111.3A553 E554 G555D551-A553 VanDerWaalsContact C-N 3.28Å; D551-A553 PolarHBondContact O-N 3.35Å; D551-A553 VanDerWaalsContact OD1-CA 3.29Å; D551-A553 WeakPolarHBondContact OD1-CA 3.31Å; D551-A553 WeakPolarHBondContact OD1-CB 3.49Å; D551-A553 PolarHBondContact OD1-N 2.95Å; D551-E554 HydrophobicContact CB-CB 4.2Å; D551-E554 HydrophobicContact CB-CG 3.78Å; D551-E554 PolarHBondContact O-N 3.46Å; D551-E554 PolarHBondContact OD1-N 3.45Å; D551-G555 PolarHBondContact O-N 3.38Å; D551-G555 VanDerWaalsContact O-N 3.17Å
552T97.5Very high96.9Very high2 Ų237.1 Ų37.11%0.01221%0.212CC..Hα-helixtrans-63.2-33.6-177-65.90000112.5L312 D313 I316 K502 L506 L509 F550 F556L312-T552 HydrophobicContact CB-CG2 3.9Å; L312-T552 HydrophobicContact CD1-CG2 4.31Å; D313-T552 PolarHBondContact OD1-OG1 3.23Å; I316-T552 HydrophobicContact CD1-CG2 3.7Å; K502-T552 VanDerWaalsContact CE-OG1 3.28Å; K502-T552 WeakPolarHBondContact CE-OG1 3.44Å; K502-T552 PolarHBondContact NZ-OG1 3.41Å; L506-T552 HydrophobicContact CD1-CG2 4.41Å; L509-T552 HydrophobicContact CD2-CG2 3.76Å; F550-T552 PolarHBondContact O-N 3.49Å; T552-F556 VanDerWaalsContact O-CB 3.27Å; T552-F556 WeakPolarHBondContact O-CB 3.47Å; T552-F556 PolarHBondContact O-N 3.47Å
553A96.8Very high96.9Very high0 Ų034.6 Ų34.60%020%0.2CC..Hα-helixtrans-70.7-40.6178.500000111.7L312 D551 F556 R557 C632 I641L312-A553 HydrophobicContact CD1-CB 3.68Å; D551-A553 VanDerWaalsContact C-N 3.28Å; D551-A553 PolarHBondContact O-N 3.35Å; D551-A553 VanDerWaalsContact OD1-CA 3.29Å; D551-A553 WeakPolarHBondContact OD1-CA 3.31Å; D551-A553 WeakPolarHBondContact OD1-CB 3.49Å; D551-A553 PolarHBondContact OD1-N 2.95Å; A553-F556 PolarHBondContact O-N 3.1Å; A553-R557 VanDerWaalsContact O-CB 3.29Å; A553-R557 WeakPolarHBondContact O-CB 3.47Å; A553-R557 PolarHBondContact O-N 3.13Å; A553-C632 VanDerWaalsContact CB-O 3.28Å; A553-C632 WeakPolarHBondContact CB-O 3.4Å; A553-I641 HydrophobicContact CB-CD1 3.47Å; A553-I641 VanDerWaalsContact CB-CD1 3.47Å; A553-I641 HydrophobicContact CB-CG2 4.33Å
554E97.3Very high96.9Very high59 Ų5931.7 Ų31.728%0.27619%0.188SC..Hα-helixtrans-57.9-49.4172.8-66.6-178.5176.800110.8D551 F556 R557 T558 I641 P642 W644D551-E554 HydrophobicContact CB-CB 4.2Å; D551-E554 HydrophobicContact CB-CG 3.78Å; D551-E554 PolarHBondContact O-N 3.46Å; D551-E554 PolarHBondContact OD1-N 3.45Å; E554-F556 PolarHBondContact O-N 3.39Å; E554-R557 PolarHBondContact O-N 2.89Å; E554-T558 WeakPolarHBondContact O-CB 3.06Å; E554-T558 PolarHBondContact O-N 3.4Å; E554-T558 PolarHBondContact O-OG1 3.27Å; E554-I641 HydrophobicContact CB-CG2 4.21Å; E554-I641 HydrophobicContact CG-CG2 3.35Å; E554-P642 WeakPolarHBondContact CG-O 3.5Å; E554-W644 PolarHBondContact OE2-NE1 3.02Å
555G98Very high96.9Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-62.2-43.3178.300000112.5D551 T558 V559 W644D551-G555 PolarHBondContact O-N 3.38Å; D551-G555 VanDerWaalsContact O-N 3.17Å; G555-T558 WeakPolarHBondContact O-CB 3.43Å; G555-T558 PolarHBondContact O-N 3.16Å; G555-V559 WeakPolarHBondContact O-CG2 3.5Å; G555-V559 PolarHBondContact O-N 3.2Å; G555-V559 VanDerWaalsContact O-N 3.12Å; G555-W644 VanDerWaalsContact CA-CZ2 3.42Å
556F98.3Very high97Very high0 Ų034.5 Ų34.50%019%0.19CC..Hα-helixtrans-65.4-42.2178.6-175.9-139.3000111.9L304 L312 L506 L509 V510 W513 T552 A553 E554 T558 V559 L560 W627 C632 F633L304-F556 HydrophobicContact CD2-CE1 4.4Å; L304-F556 HydrophobicContact CD2-CZ 4.23Å; L312-F556 HydrophobicContact CD1-CD1 4.41Å; L506-F556 HydrophobicContact CD1-CB 3.85Å; L509-F556 HydrophobicContact CD2-CB 3.93Å; L509-F556 HydrophobicContact CD2-CD1 3.87Å; L509-F556 HydrophobicContact CD2-CD2 4.21Å; L509-F556 HydrophobicContact CD2-CE1 4.46Å; L509-F556 HydrophobicContact CD2-CG 3.74Å; L509-F556 HydrophobicContact CG-CD2 4.46Å; L509-F556 HydrophobicContact CG-CG 4.42Å; V510-F556 HydrophobicContact CG2-CD2 3.92Å; V510-F556 HydrophobicContact CG2-CE2 4.3Å; W513-F556 HydrophobicContact CB-CE2 3.98Å; W513-F556 HydrophobicContact CB-CZ 3.88Å; W513-F556 HydrophobicContact CD2-CE2 4.44Å; W513-F556 HydrophobicContact CG-CE2 4.06Å; W513-F556 AromaticContact CG-CZ 3.89Å; W513-F556 HydrophobicContact CG-CZ 3.89Å; T552-F556 VanDerWaalsContact O-CB 3.27Å; T552-F556 WeakPolarHBondContact O-CB 3.47Å; T552-F556 PolarHBondContact O-N 3.47Å; A553-F556 PolarHBondContact O-N 3.1Å; E554-F556 PolarHBondContact O-N 3.39Å; F556-T558 VanDerWaalsContact C-N 3.35Å; F556-T558 PolarHBondContact O-N 3.04Å; F556-V559 PolarHBondContact O-N 2.84Å; F556-L560 HydrophobicContact CE2-CD1 4.45Å; F556-L560 HydrophobicContact CE2-CD2 4.25Å; F556-L560 HydrophobicContact CE2-CG 4.2Å; F556-L560 HydrophobicContact CZ-CD1 4.22Å; F556-L560 HydrophobicContact CZ-CG 4.46Å; F556-L560 PolarHBondContact O-N 3.41Å; F556-L560 VanDerWaalsContact O-N 3.13Å; F556-W627 HydrophobicContact CE1-CE3 4.15Å; F556-W627 HydrophobicContact CE1-CZ3 4.03Å; F556-W627 HydrophobicContact CZ-CE3 4.12Å; F556-W627 HydrophobicContact CZ-CZ3 4.06Å; F556-C632 HydrophobicContact CD1-CB 4.39Å; F556-C632 HydrophobicContact CE1-CB 4.35Å; F556-F633 HydrophobicContact CB-CE1 4.21Å; F556-F633 AromaticContact CD1-CE1 3.48Å; F556-F633 HydrophobicContact CD1-CE1 3.48Å; F556-F633 VanDerWaalsContact CD1-CE1 3.48Å; F556-F633 AromaticContact CD1-CZ 3.55Å; F556-F633 HydrophobicContact CD1-CZ 3.55Å; F556-F633 HydrophobicContact CE1-CE1 4.09Å; F556-F633 AromaticContact CE1-CZ 3.67Å; F556-F633 HydrophobicContact CE1-CZ 3.67Å; F556-F633 HydrophobicContact CG-CE1 4.03Å; F556-F633 HydrophobicContact CG-CZ 4.25Å; F556-F633 HydrophobicContact CZ-CZ 4.44Å
557R97.6Very high97.2Very high54 Ų5439 Ų3920%0.20420%0.2CC..Hα-helixtrans-59.7-47.4175.3-171.3177.7167.2155.7-0.4111.1A553 E554 V559 L560 E561 L628 F633 I641 P643A553-R557 VanDerWaalsContact O-CB 3.29Å; A553-R557 WeakPolarHBondContact O-CB 3.47Å; A553-R557 PolarHBondContact O-N 3.13Å; E554-R557 PolarHBondContact O-N 2.89Å; R557-V559 VanDerWaalsContact C-N 3.3Å; R557-V559 PolarHBondContact O-N 3.16Å; R557-L560 PolarHBondContact O-N 3.28Å; R557-L560 VanDerWaalsContact O-N 3.15Å; R557-E561 HydrophobicContact CG-CG 4.44Å; R557-E561 IonicContact CZ-OE1 2.8Å; R557-E561 IonicContact NE-OE1 3.51Å; R557-E561 PolarHBondContact NE-OE1 3.26Å; R557-E561 IonicContact NH2-OE1 2.72Å; R557-E561 PolarHBondContact NH2-OE1 3.22Å; R557-E561 VanDerWaalsContact NH2-OE1 3.1Å; R557-E561 WeakPolarHBondContact O-CG 3.33Å; R557-E561 PolarHBondContact O-N 3.38Å; R557-L628 HydrophobicContact CG-CD2 4.14Å; R557-F633 VanDerWaalsContact CA-CE1 3.45Å; R557-F633 HydrophobicContact CB-CD1 3.49Å; R557-F633 VanDerWaalsContact CB-CD1 3.49Å; R557-F633 HydrophobicContact CB-CE1 3.67Å; R557-F633 HydrophobicContact CB-CG 4.31Å; R557-F633 HydrophobicContact CG-CD1 3.93Å; R557-F633 HydrophobicContact CG-CE1 4.31Å; R557-F633 HydrophobicContact CG-CG 4.27Å; R557-I641 WeakPolarHBondContact CD-O 3.34Å; R557-I641 PolarHBondContact NE-O 3.19Å; R557-I641 PolarHBondContact NH1-O 2.89Å; R557-P643 HydrophobicContact CG-CB 4.34Å
558T98.4Very high97.2Very high3 Ų341.6 Ų41.62%0.01821%0.207CC..Hα-helixtrans-56.1-45.4179.4-53.80000111.2A540 E554 G555 F556 E561 L562 W644 V646A540-T558 HydrophobicContact CB-CG2 4.01Å; E554-T558 WeakPolarHBondContact O-CB 3.06Å; E554-T558 PolarHBondContact O-N 3.4Å; E554-T558 PolarHBondContact O-OG1 3.27Å; G555-T558 WeakPolarHBondContact O-CB 3.43Å; G555-T558 PolarHBondContact O-N 3.16Å; F556-T558 VanDerWaalsContact C-N 3.35Å; F556-T558 PolarHBondContact O-N 3.04Å; T558-E561 PolarHBondContact O-N 3.35Å; T558-L562 HydrophobicContact CG2-CD1 4.37Å; T558-L562 WeakPolarHBondContact O-CG 3.2Å; T558-L562 PolarHBondContact O-N 2.93Å; T558-W644 HydrophobicContact CG2-CB 4.05Å; T558-W644 HydrophobicContact CG2-CE3 4.17Å; T558-W644 PolarHBondContact OG1-N 3.43Å; T558-V646 HydrophobicContact CG2-CG2 3.46Å; T558-V646 VanDerWaalsContact CG2-CG2 3.46Å
559V98.4Very high97.3Very high0 Ų037.9 Ų37.90%018%0.182CC..Hα-helixtrans-63-44.9178174.90000111.5V510 L536 T537 A540 G555 F556 R557 E561 L562 V563V510-V559 HydrophobicContact CG1-CG1 4.05Å; V510-V559 HydrophobicContact CG2-CB 4.27Å; V510-V559 HydrophobicContact CG2-CG1 3.99Å; V510-V559 HydrophobicContact CG2-CG2 4.33Å; L536-V559 HydrophobicContact CD2-CG1 4.43Å; T537-V559 HydrophobicContact CG2-CG2 4.15Å; A540-V559 HydrophobicContact CB-CG2 3.92Å; G555-V559 WeakPolarHBondContact O-CG2 3.5Å; G555-V559 PolarHBondContact O-N 3.2Å; G555-V559 VanDerWaalsContact O-N 3.12Å; F556-V559 PolarHBondContact O-N 2.84Å; R557-V559 VanDerWaalsContact C-N 3.3Å; R557-V559 PolarHBondContact O-N 3.16Å; V559-E561 PolarHBondContact O-N 3.06Å; V559-L562 PolarHBondContact O-N 3.48Å; V559-V563 WeakPolarHBondContact O-CG2 3.19Å; V559-V563 PolarHBondContact O-N 3.32Å
560L98.1Very high97.4Very high0 Ų033.9 Ų33.90%016%0.164CC..Hα-helixtrans-62.6-42.2177.2-69.3-169.3000112.2W513 F556 R557 L562 V563 T564 A624 W627 L628 F633W513-L560 HydrophobicContact CD2-CD2 3.77Å; W513-L560 HydrophobicContact CE3-CD2 3.96Å; W513-L560 HydrophobicContact CH2-CD2 3.42Å; W513-L560 VanDerWaalsContact CH2-CD2 3.42Å; W513-L560 HydrophobicContact CZ2-CD2 3.24Å; W513-L560 HydrophobicContact CZ3-CD2 3.79Å; F556-L560 HydrophobicContact CE2-CD1 4.45Å; F556-L560 HydrophobicContact CE2-CD2 4.25Å; F556-L560 HydrophobicContact CE2-CG 4.2Å; F556-L560 HydrophobicContact CZ-CD1 4.22Å; F556-L560 HydrophobicContact CZ-CG 4.46Å; F556-L560 PolarHBondContact O-N 3.41Å; F556-L560 VanDerWaalsContact O-N 3.13Å; R557-L560 PolarHBondContact O-N 3.28Å; R557-L560 VanDerWaalsContact O-N 3.15Å; L560-L562 PolarHBondContact O-N 3.22Å; L560-V563 WeakPolarHBondContact O-CB 3.44Å; L560-V563 PolarHBondContact O-N 3.48Å; L560-V563 VanDerWaalsContact O-N 3.17Å; L560-T564 WeakPolarHBondContact O-CG2 3.42Å; L560-T564 PolarHBondContact O-N 3.32Å; L560-A624 HydrophobicContact CB-CB 4.23Å; L560-A624 HydrophobicContact CD2-CB 4.07Å; L560-W627 HydrophobicContact CD1-CB 3.67Å; L560-W627 HydrophobicContact CD1-CG 4.48Å; L560-L628 HydrophobicContact CB-CD2 4.32Å; L560-F633 HydrophobicContact CD1-CE2 3.68Å; L560-F633 HydrophobicContact CD1-CZ 3.37Å; L560-F633 HydrophobicContact CG-CZ 4.31Å
561E97.4Very high97.5Very high39 Ų3933.1 Ų33.118%0.18216%0.16CC..Hα-helixtrans-62.5-42.6177-71.6-172.5-169.700111.6R557 T558 V559 V563 T564 Q565 L628 P643R557-E561 HydrophobicContact CG-CG 4.44Å; R557-E561 IonicContact CZ-OE1 2.8Å; R557-E561 IonicContact NE-OE1 3.51Å; R557-E561 PolarHBondContact NE-OE1 3.26Å; R557-E561 IonicContact NH2-OE1 2.72Å; R557-E561 PolarHBondContact NH2-OE1 3.22Å; R557-E561 VanDerWaalsContact NH2-OE1 3.1Å; R557-E561 WeakPolarHBondContact O-CG 3.33Å; R557-E561 PolarHBondContact O-N 3.38Å; T558-E561 PolarHBondContact O-N 3.35Å; V559-E561 PolarHBondContact O-N 3.06Å; E561-V563 VanDerWaalsContact C-N 3.29Å; E561-V563 PolarHBondContact O-N 2.9Å; E561-T564 WeakPolarHBondContact O-CA 3.18Å; E561-T564 WeakPolarHBondContact O-CB 3.09Å; E561-T564 PolarHBondContact O-N 3.41Å; E561-T564 PolarHBondContact O-OG1 2.95Å; E561-Q565 WeakPolarHBondContact O-CG 3.25Å; E561-Q565 PolarHBondContact O-N 3.47Å; E561-Q565 VanDerWaalsContact O-N 3.12Å; E561-L628 HydrophobicContact CG-CD1 4.32Å; E561-L628 HydrophobicContact CG-CD2 3.94Å; E561-P643 WeakPolarHBondContact OE2-CB 3.13Å; E561-P643 VanDerWaalsContact OE2-CG 3.26Å; E561-P643 WeakPolarHBondContact OE2-CG 3.35Å
562L98.3Very high97.5Very high12 Ų1233.4 Ų33.46%0.06316%0.159CC..Hα-helixtrans-60.1-38.3173-71.7170.7000112.4L536 Y539 A540 T558 V559 L560 T564 Q565 Y566 L569 V646L536-L562 HydrophobicContact CD1-CB 4.11Å; L536-L562 HydrophobicContact CD1-CD1 4.04Å; L536-L562 HydrophobicContact CD2-CB 4.26Å; L536-L562 HydrophobicContact CG-CB 4.4Å; L536-L562 HydrophobicContact CG-CD1 4.44Å; Y539-L562 HydrophobicContact CD1-CD1 4.31Å; A540-L562 HydrophobicContact CB-CD1 3.65Å; T558-L562 HydrophobicContact CG2-CD1 4.37Å; T558-L562 WeakPolarHBondContact O-CG 3.2Å; T558-L562 PolarHBondContact O-N 2.93Å; V559-L562 PolarHBondContact O-N 3.48Å; L560-L562 PolarHBondContact O-N 3.22Å; L562-T564 VanDerWaalsContact C-N 3.3Å; L562-T564 PolarHBondContact O-N 2.91Å; L562-Q565 CarbonylContact O-C 3.22Å; L562-Q565 VanDerWaalsContact O-C 3.31Å; L562-Q565 PolarHBondContact O-N 2.94Å; L562-Q565 VanDerWaalsContact O-N 3.1Å; L562-Y566 PolarHBondContact O-N 2.89Å; L562-Y566 VanDerWaalsContact O-N 3.17Å; L562-L569 HydrophobicContact CB-CD2 4.42Å; L562-L569 HydrophobicContact CD2-CD2 4.05Å; L562-V646 HydrophobicContact CD1-CG1 4.3Å; L562-V646 HydrophobicContact CD2-CB 4.34Å; L562-V646 HydrophobicContact CD2-CG1 4Å
563V98Very high97.5Very high0 Ų034.2 Ų34.20%016%0.162CC..Hα-helixtrans-62.1-38.1172.7171.80000111W513 L533 L536 V559 L560 E561 Q565 Y566 W617 L620 A624W513-V563 HydrophobicContact CH2-CG1 4.43Å; W513-V563 HydrophobicContact CH2-CG2 4.5Å; L533-V563 HydrophobicContact CD1-CG2 3.9Å; L536-V563 HydrophobicContact CD2-CG2 3.68Å; V559-V563 WeakPolarHBondContact O-CG2 3.19Å; V559-V563 PolarHBondContact O-N 3.32Å; L560-V563 WeakPolarHBondContact O-CB 3.44Å; L560-V563 PolarHBondContact O-N 3.48Å; L560-V563 VanDerWaalsContact O-N 3.17Å; E561-V563 VanDerWaalsContact C-N 3.29Å; E561-V563 PolarHBondContact O-N 2.9Å; V563-Q565 PolarHBondContact O-N 3.32Å; V563-Y566 WeakPolarHBondContact O-CB 3.2Å; V563-Y566 WeakPolarHBondContact O-CD1 3.49Å; V563-Y566 PolarHBondContact O-N 2.93Å; V563-W617 HydrophobicContact CG2-CZ3 4.37Å; V563-L620 HydrophobicContact CG1-CB 4.17Å; V563-L620 HydrophobicContact CG1-CD2 3.91Å; V563-L620 HydrophobicContact CG1-CG 3.78Å; V563-A624 HydrophobicContact CB-CB 4.3Å; V563-A624 HydrophobicContact CG1-CB 4.03Å
564T97.1Very high97.4Very high31 Ų3140.8 Ų40.819%0.1919%0.19CC..Hα-helixtrans-66.6-24.2175.373.50000113.3L560 E561 L562 A624 K625L560-T564 WeakPolarHBondContact O-CG2 3.42Å; L560-T564 PolarHBondContact O-N 3.32Å; E561-T564 WeakPolarHBondContact O-CA 3.18Å; E561-T564 WeakPolarHBondContact O-CB 3.09Å; E561-T564 PolarHBondContact O-N 3.41Å; E561-T564 PolarHBondContact O-OG1 2.95Å; L562-T564 VanDerWaalsContact C-N 3.3Å; L562-T564 PolarHBondContact O-N 2.91Å; T564-A624 HydrophobicContact CG2-CB 3.88Å; T564-K625 HydrophobicContact CG2-CG 3.6Å
565Q96.4Very high97.2Very high84 Ų8441.6 Ų41.639%0.39320%0.199SC..THydrogen-bonded Turntrans-102.921.7-180-60.1176.317.900112.4E561 L562 V563 Q567 Q568E561-Q565 WeakPolarHBondContact O-CG 3.25Å; E561-Q565 PolarHBondContact O-N 3.47Å; E561-Q565 VanDerWaalsContact O-N 3.12Å; L562-Q565 CarbonylContact O-C 3.22Å; L562-Q565 VanDerWaalsContact O-C 3.31Å; L562-Q565 PolarHBondContact O-N 2.94Å; L562-Q565 VanDerWaalsContact O-N 3.1Å; V563-Q565 PolarHBondContact O-N 3.32Å; Q565-Q567 PolarHBondContact O-N 2.93Å; Q565-Q568 WeakPolarHBondContact O-CB 3.2Å; Q565-Q568 PolarHBondContact O-N 2.89Å
566Y97.1Very high97Very high34 Ų3442.7 Ų42.713%0.13321%0.205CC..G310 helixtrans-51-32.7-172.272.4-83.1000114.5L562 V563 Q568 L569 P597 W617 A621L562-Y566 PolarHBondContact O-N 2.89Å; L562-Y566 VanDerWaalsContact O-N 3.17Å; V563-Y566 WeakPolarHBondContact O-CB 3.2Å; V563-Y566 WeakPolarHBondContact O-CD1 3.49Å; V563-Y566 PolarHBondContact O-N 2.93Å; Y566-Q568 PolarHBondContact O-N 3.01Å; Y566-Q568 VanDerWaalsContact O-N 3.09Å; Y566-L569 PolarHBondContact O-N 2.79Å; Y566-P597 HydrophobicContact CD2-CG 4.1Å; Y566-P597 WeakPolarHBondContact O-CB 3.37Å; Y566-W617 HydrophobicContact CD1-CB 4.16Å; Y566-W617 HydrophobicContact CD2-CB 3.26Å; Y566-W617 AromaticContact CD2-CG 3.86Å; Y566-W617 HydrophobicContact CD2-CG 3.86Å; Y566-W617 HydrophobicContact CE1-CB 4.38Å; Y566-W617 HydrophobicContact CE2-CB 3.53Å; Y566-W617 HydrophobicContact CE2-CG 4.45Å; Y566-W617 HydrophobicContact CG-CB 3.61Å; Y566-W617 HydrophobicContact CG-CG 4.24Å; Y566-A621 HydrophobicContact CD1-CB 3.87Å; Y566-A621 HydrophobicContact CE1-CB 3.95Å
567Q96.7Very high96.8Very high135 Ų13543.1 Ų43.163%0.63121%0.207SC*.G310 helixtrans-62.7-15.9177.9-64.5179.5-43.300113.5Q565 R596Q565-Q567 PolarHBondContact O-N 2.93Å; Q567-R596 WeakPolarHBondContact O-CB 3.43Å; Q567-R596 WeakPolarHBondContact O-CD 3.09Å
568Q95.9Very high96.6Very high127 Ų12742.7 Ų42.759%0.59321%0.208SC*.G310 helixtrans-97.2-11.1178.4-55.9-177.42900112.5Q565 Y566 C570 R596Q565-Q568 WeakPolarHBondContact O-CB 3.2Å; Q565-Q568 PolarHBondContact O-N 2.89Å; Y566-Q568 PolarHBondContact O-N 3.01Å; Y566-Q568 VanDerWaalsContact O-N 3.09Å; Q568-C570 PolarHBondContact O-N 2.8Å; Q568-R596 PolarHBondContact O-NH1 3.31Å
569L97.8Very high96.5Very high10 Ų1045.2 Ų45.25%0.05222%0.219CC..  trans-73.6124.8-172.1-56.6176.8000112.3L536 L562 Y566 I571 R596 P597 V598L536-L569 HydrophobicContact CD1-CD1 3.9Å; L536-L569 HydrophobicContact CD1-CD2 4.3Å; L536-L569 HydrophobicContact CD2-CD1 4.42Å; L562-L569 HydrophobicContact CB-CD2 4.42Å; L562-L569 HydrophobicContact CD2-CD2 4.05Å; Y566-L569 PolarHBondContact O-N 2.79Å; L569-I571 HydrophobicContact CB-CD1 4.39Å; L569-I571 HydrophobicContact CD2-CD1 4.27Å; L569-R596 WeakPolarHBondContact O-CG 3.48Å; L569-P597 HydrophobicContact CB-CB 3.96Å; L569-P597 HydrophobicContact CD1-CB 4.4Å; L569-P597 WeakPolarHBondContact O-CA 3.26Å; L569-V598 PolarHBondContact O-N 3.23Å
570C97.7Very high96.2Very high42 Ų4253.3 Ų53.328%0.28426%0.257SS..EExtended strand (participates in β ladder)trans-140.790.1169.5-170.60000108.2Q568 V598Q568-C570 PolarHBondContact O-N 2.8Å; C570-V598 CarbonylContact C-O 3.47Å; C570-V598 WeakPolarHBondContact CA-O 3.43Å
571I98.1Very high96.1Very high2 Ų255.7 Ų55.71%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-116.7133.6-167.7-57.4169.8000109.4L536 Y539 L569 W573 V598 I599 L600L536-I571 HydrophobicContact CD1-CD1 3.56Å; Y539-I571 HydrophobicContact CD1-CD1 3.51Å; Y539-I571 HydrophobicContact CD1-CG1 4.06Å; Y539-I571 HydrophobicContact CD2-CB 4.44Å; Y539-I571 HydrophobicContact CD2-CD1 4.28Å; Y539-I571 HydrophobicContact CD2-CG1 4.1Å; Y539-I571 HydrophobicContact CD2-CG2 3.56Å; Y539-I571 HydrophobicContact CE1-CD1 3.89Å; Y539-I571 HydrophobicContact CE1-CG1 4.08Å; Y539-I571 HydrophobicContact CE2-CG1 4.13Å; Y539-I571 HydrophobicContact CE2-CG2 4.18Å; Y539-I571 HydrophobicContact CG-CD1 3.72Å; Y539-I571 HydrophobicContact CG-CG1 4.05Å; Y539-I571 HydrophobicContact CG-CG2 3.83Å; L569-I571 HydrophobicContact CB-CD1 4.39Å; L569-I571 HydrophobicContact CD2-CD1 4.27Å; I571-W573 HydrophobicContact CG2-CE3 4.39Å; I571-W573 HydrophobicContact CG2-CH2 3.34Å; I571-W573 HydrophobicContact CG2-CZ2 3.82Å; I571-W573 HydrophobicContact CG2-CZ3 3.68Å; I571-V598 PolarHBondContact N-O 3.1Å; I571-I599 HydrophobicContact CB-CG1 4.4Å; I571-I599 HydrophobicContact CB-CG2 4.37Å; I571-I599 HydrophobicContact CD1-CD1 4.43Å; I571-I599 HydrophobicContact CD1-CG1 4.27Å; I571-I599 WeakPolarHBondContact O-CA 3.04Å; I571-L600 PolarHBondContact O-N 3.48Å
572F97.3Very high96Very high67 Ų6759.6 Ų59.629%0.29429%0.288SS..  trans-155.3163.2173.370.6-77.9000110.3K574 F579 L592 L600F572-K574 HydrophobicContact CD2-CG 4.27Å; F572-K574 HydrophobicContact CE2-CD 4.21Å; F572-K574 HydrophobicContact CE2-CG 3.85Å; F572-F579 AromaticContact CE2-CE2 3.61Å; F572-F579 HydrophobicContact CE2-CE2 3.61Å; F572-F579 AromaticContact CE2-CZ 3.68Å; F572-F579 HydrophobicContact CE2-CZ 3.68Å; F572-F579 HydrophobicContact CZ-CE2 4.01Å; F572-F579 AromaticContact CZ-CZ 3.98Å; F572-F579 HydrophobicContact CZ-CZ 3.98Å; F572-L592 HydrophobicContact CB-CD2 4.23Å; F572-L592 HydrophobicContact CD1-CD1 4.21Å; F572-L592 HydrophobicContact CD1-CD2 3.51Å; F572-L592 HydrophobicContact CE1-CD1 3.97Å; F572-L592 HydrophobicContact CE1-CD2 4.07Å; F572-L592 HydrophobicContact CG-CD2 3.97Å; F572-L592 HydrophobicContact CZ-CD1 4.25Å; F572-L600 HydrophobicContact CB-CB 3.97Å; F572-L600 HydrophobicContact CB-CD1 3.89Å; F572-L600 HydrophobicContact CB-CG 4.11Å
573W97.1Very high95.8Very high20 Ų2061.5 Ų61.58%0.07630%0.3CS..  trans-125.2154.3174.9-64.3-96.6000110.7F495 L535 E542 I571 V575 Y577 I599 L600 P602F495-W573 AromaticContact CE2-CD1 3.93Å; F495-W573 HydrophobicContact CE2-CD2 4.44Å; F495-W573 HydrophobicContact CE2-CG 4.07Å; F495-W573 AromaticContact CZ-CD1 3.85Å; F495-W573 AromaticContact CZ-CD2 3.93Å; F495-W573 HydrophobicContact CZ-CD2 3.93Å; F495-W573 AromaticContact CZ-CE2 3.73Å; F495-W573 HydrophobicContact CZ-CG 4.02Å; F495-W573 HydrophobicContact CZ-CZ2 4.29Å; F495-W573 AromaticContact CZ-NE1 3.66Å; L535-W573 HydrophobicContact CB-CH2 3.81Å; L535-W573 HydrophobicContact CB-CZ3 4.22Å; L535-W573 HydrophobicContact CD1-CZ3 4.17Å; L535-W573 HydrophobicContact CD2-CH2 4.29Å; L535-W573 HydrophobicContact CD2-CZ3 4.33Å; L535-W573 HydrophobicContact CG-CH2 4.45Å; L535-W573 HydrophobicContact CG-CZ3 4.48Å; E542-W573 PolarHBondContact OE2-NE1 2.98Å; I571-W573 HydrophobicContact CG2-CE3 4.39Å; I571-W573 HydrophobicContact CG2-CH2 3.34Å; I571-W573 HydrophobicContact CG2-CZ2 3.82Å; I571-W573 HydrophobicContact CG2-CZ3 3.68Å; W573-V575 HydrophobicContact CB-CG2 3.61Å; W573-V575 HydrophobicContact CG-CG2 4.33Å; W573-Y577 WeakPolarHBondContact O-CE2 2.82Å; W573-I599 HydrophobicContact CZ3-CG2 4.31Å; W573-L600 WeakPolarHBondContact CZ3-O 3.35Å; W573-P602 HydrophobicContact CB-CB 4.07Å; W573-P602 HydrophobicContact CD2-CB 4.3Å; W573-P602 HydrophobicContact CE3-CB 4.11Å; W573-P602 HydrophobicContact CE3-CG 4.36Å; W573-P602 HydrophobicContact CG-CB 4.31Å
574K95Very high95.7Very high137 Ų13761.6 Ų61.660%0.59630%0.301SS*.  trans-107.426.2179.4-64.3-179.8-73.9-179.60113.1F572 Y577 N578 F579F572-K574 HydrophobicContact CD2-CG 4.27Å; F572-K574 HydrophobicContact CE2-CD 4.21Å; F572-K574 HydrophobicContact CE2-CG 3.85Å; K574-Y577 CarbonylContact C-O 3.26Å; K574-Y577 VanDerWaalsContact C-O 3.22Å; K574-Y577 WeakPolarHBondContact CA-O 3.37Å; K574-N578 HydrophobicContact CB-CB 4.36Å; K574-F579 HydrophobicContact CD-CD2 3.88Å; K574-F579 HydrophobicContact CD-CE2 3.84Å; K574-F579 HydrophobicContact CG-CE2 4.34Å
575V92.8Very high95.7Very high76 Ų7666.7 Ų66.746%0.46132%0.316SS..SBendtrans-81.3-43.7-168.3-142.60000112.5T461 F495 W573T461-V575 WeakPolarHBondContact CG2-O 3.39Å; F495-V575 HydrophobicContact CD2-CG2 4.18Å; F495-V575 HydrophobicContact CE2-CG2 3.9Å; W573-V575 HydrophobicContact CB-CG2 3.61Å; W573-V575 HydrophobicContact CG-CG2 4.33Å
576N93.7Very high95.7Very high23 Ų2368.4 Ų68.412%0.12332%0.323CS..SBendtrans-111.2-12.6-176.9-58.2-64.2000113.4Y467 L491 P602Y467-N576 WeakPolarHBondContact CE2-O 3.45Å; Y467-N576 WeakPolarHBondContact OH-CB 3.42Å; Y467-N576 PolarHBondContact OH-O 2.9Å; L491-N576 HydrophobicContact CD1-CB 4.08Å; N576-P602 WeakPolarHBondContact CB-O 3.49Å; N576-P602 PolarHBondContact ND2-O 3.35Å
577Y93.8Very high95.6Very high10 Ų1067 Ų674%0.03932%0.317CS..  trans-147.5153.317352.6-103.8000107.8Y467 W573 K574 L588 D601 P605Y467-Y577 HydrophobicContact CE1-CD1 4.33Å; W573-Y577 WeakPolarHBondContact O-CE2 2.82Å; K574-Y577 CarbonylContact C-O 3.26Å; K574-Y577 VanDerWaalsContact C-O 3.22Å; K574-Y577 WeakPolarHBondContact CA-O 3.37Å; Y577-L588 HydrophobicContact CD2-CD1 3.86Å; Y577-L588 HydrophobicContact CD2-CD2 3.8Å; Y577-L588 HydrophobicContact CD2-CG 4.42Å; Y577-L588 HydrophobicContact CE2-CD1 4.3Å; Y577-L588 HydrophobicContact CE2-CD2 3.58Å; Y577-D601 VanDerWaalsContact CE1-O 3.27Å; Y577-D601 WeakPolarHBondContact CE1-O 3.22Å; Y577-D601 PolarHBondContact OH-O 2.95Å; Y577-P605 HydrophobicContact CD1-CB 3.92Å; Y577-P605 HydrophobicContact CD1-CG 4.15Å; Y577-P605 HydrophobicContact CD2-CB 4.16Å; Y577-P605 HydrophobicContact CE1-CB 3.87Å; Y577-P605 HydrophobicContact CE1-CG 4.42Å; Y577-P605 HydrophobicContact CE2-CB 4.11Å; Y577-P605 HydrophobicContact CG-CB 4.06Å; Y577-P605 HydrophobicContact CG-CG 4.44Å
578N93.7Very high95.6Very high44 Ų4460.6 Ų60.624%0.23529%0.287CS..  trans-147.3-168.5-175.967.526.7000111K574 E580 V584 L588K574-N578 HydrophobicContact CB-CB 4.36Å; N578-E580 PolarHBondContact ND2-OE2 2.79Å; N578-E580 VanDerWaalsContact OD1-CB 3.24Å; N578-E580 WeakPolarHBondContact OD1-CB 3.46Å; N578-E580 WeakPolarHBondContact OD1-CG 3.43Å; N578-E580 PolarHBondContact OD1-N 2.89Å; N578-V584 WeakPolarHBondContact O-CG1 3.37Å; N578-L588 WeakPolarHBondContact O-CD1 3.48Å
579F95.5Very high95.7Very high57 Ų5758.2 Ų58.225%0.2528%0.279CS..SBendtrans-95.811.1-178.5-60.5-75.6000113.9F572 K574 R585 L588 L589 L592F572-F579 AromaticContact CE2-CE2 3.61Å; F572-F579 HydrophobicContact CE2-CE2 3.61Å; F572-F579 AromaticContact CE2-CZ 3.68Å; F572-F579 HydrophobicContact CE2-CZ 3.68Å; F572-F579 HydrophobicContact CZ-CE2 4.01Å; F572-F579 AromaticContact CZ-CZ 3.98Å; F572-F579 HydrophobicContact CZ-CZ 3.98Å; K574-F579 HydrophobicContact CD-CD2 3.88Å; K574-F579 HydrophobicContact CD-CE2 3.84Å; K574-F579 HydrophobicContact CG-CE2 4.34Å; F579-R585 HydrophobicContact CB-CB 4.32Å; F579-R585 HydrophobicContact CB-CG 4.09Å; F579-R585 HydrophobicContact CD1-CB 4.38Å; F579-R585 HydrophobicContact CD1-CG 4Å; F579-R585 WeakPolarHBondContact O-CD 2.89Å; F579-L588 HydrophobicContact CD1-CB 4.16Å; F579-L588 HydrophobicContact CD1-CD1 4.01Å; F579-L588 HydrophobicContact CE1-CB 3.63Å; F579-L588 HydrophobicContact CE1-CD1 3.96Å; F579-L588 HydrophobicContact CE1-CG 4.48Å; F579-L588 HydrophobicContact CZ-CB 4.47Å; F579-L588 HydrophobicContact CZ-CD1 4.49Å; F579-L589 HydrophobicContact CE1-CD2 4.18Å; F579-L589 HydrophobicContact CE1-CG 4.36Å; F579-L592 HydrophobicContact CZ-CD1 4.13Å
580E93.8Very high95.6Very high170 Ų17060.2 Ų60.279%0.79429%0.293SS*.SBendtrans-75.5-46.1-176.7-64.5170.6170.100111.4N578N578-E580 PolarHBondContact ND2-OE2 2.79Å; N578-E580 VanDerWaalsContact OD1-CB 3.24Å; N578-E580 WeakPolarHBondContact OD1-CB 3.46Å; N578-E580 WeakPolarHBondContact OD1-CG 3.43Å; N578-E580 PolarHBondContact OD1-N 2.89Å
581D94.9Very high95.5Very high49 Ų4958.3 Ų58.326%0.26228%0.28SS..SBendtrans-73.2133.9172.9176.1-94.7000111.3P464 T583 V584 R585P464-D581 HydrophobicContact CB-CB 3.7Å; P464-D581 HydrophobicContact CG-CB 4.16Å; D581-T583 PolarHBondContact O-N 2.86Å; D581-T583 WeakPolarHBondContact OD1-CA 3.5Å; D581-T583 VanDerWaalsContact OD1-CB 3.3Å; D581-T583 WeakPolarHBondContact OD1-CB 3.45Å; D581-T583 PolarHBondContact OD1-N 3.15Å; D581-V584 HydrophobicContact CB-CB 4.2Å; D581-V584 HydrophobicContact CB-CG2 4.2Å; D581-V584 WeakPolarHBondContact OD1-CG2 3.47Å; D581-V584 PolarHBondContact OD1-N 3.02Å; D581-R585 WeakPolarHBondContact O-CB 3.38Å; D581-R585 PolarHBondContact O-N 2.85Å
582E95.1Very high95.4Very high121 Ų12160 Ų6057%0.56529%0.289SS*.Hα-helixtrans-66.2-39.4-174.2-170.4-178.4174.700112.8K586E582-K586 HydrophobicContact CG-CD 4.33Å; E582-K586 WeakPolarHBondContact O-CB 3.23Å; E582-K586 WeakPolarHBondContact O-CG 3.41Å; E582-K586 PolarHBondContact O-N 3.48Å; E582-K586 WeakPolarHBondContact OE1-CE 3.41Å; E582-K586 IonicContact OE1-NZ 3.9Å; E582-K586 PolarHBondContact OE1-NZ 2.83Å
583T94.9Very high95.3Very high52 Ų5264.8 Ų64.832%0.31931%0.312SS..Hα-helixtrans-67.7-48.2-178.8-60.60000110.2A468 D581 F587A468-T583 HydrophobicContact CB-CG2 4.23Å; D581-T583 PolarHBondContact O-N 2.86Å; D581-T583 WeakPolarHBondContact OD1-CA 3.5Å; D581-T583 VanDerWaalsContact OD1-CB 3.3Å; D581-T583 WeakPolarHBondContact OD1-CB 3.45Å; D581-T583 PolarHBondContact OD1-N 3.15Å; T583-F587 WeakPolarHBondContact O-CB 3.44Å; T583-F587 PolarHBondContact O-N 3.36Å; T583-F587 VanDerWaalsContact O-N 3.14Å
584V95.3Very high95.2Very high3 Ų367.1 Ų67.12%0.01832%0.323CS..Hα-helixtrans-64.1-44.3176.4-179.90000110.3I471 N578 D581 K586 F587 L588I471-V584 HydrophobicContact CD1-CB 4.47Å; I471-V584 HydrophobicContact CD1-CG2 4.07Å; N578-V584 WeakPolarHBondContact O-CG1 3.37Å; D581-V584 HydrophobicContact CB-CB 4.2Å; D581-V584 HydrophobicContact CB-CG2 4.2Å; D581-V584 WeakPolarHBondContact OD1-CG2 3.47Å; D581-V584 PolarHBondContact OD1-N 3.02Å; V584-K586 PolarHBondContact O-N 3.33Å; V584-F587 WeakPolarHBondContact O-CB 3.17Å; V584-F587 PolarHBondContact O-N 3.35Å; V584-L588 HydrophobicContact CG1-CD1 3.86Å; V584-L588 HydrophobicContact CG1-CG 4.09Å; V584-L588 WeakPolarHBondContact O-CG 3.45Å; V584-L588 PolarHBondContact O-N 2.89Å
585R96.3Very high95.3Very high137 Ų13765 Ų6552%0.51732%0.321SS..Hα-helixtrans-56.8-53.6178.2176.7-179.5-178.2177.5-0.4112.3F579 D581 F587 L588 L589F579-R585 HydrophobicContact CB-CB 4.32Å; F579-R585 HydrophobicContact CB-CG 4.09Å; F579-R585 HydrophobicContact CD1-CB 4.38Å; F579-R585 HydrophobicContact CD1-CG 4Å; F579-R585 WeakPolarHBondContact O-CD 2.89Å; D581-R585 WeakPolarHBondContact O-CB 3.38Å; D581-R585 PolarHBondContact O-N 2.85Å; R585-F587 PolarHBondContact O-N 3.45Å; R585-L588 PolarHBondContact O-N 3.25Å; R585-L589 HydrophobicContact CG-CD1 4.12Å; R585-L589 WeakPolarHBondContact O-CG 3.25Å; R585-L589 PolarHBondContact O-N 3.26Å
586K96.3Very high95.5Very high121 Ų12167.1 Ų67.153%0.52632%0.321SS..Hα-helixtrans-58-40.8179.2-75.1176.1-175.7168.50110.7E582 V584 S590E582-K586 HydrophobicContact CG-CD 4.33Å; E582-K586 WeakPolarHBondContact O-CB 3.23Å; E582-K586 WeakPolarHBondContact O-CG 3.41Å; E582-K586 PolarHBondContact O-N 3.48Å; E582-K586 WeakPolarHBondContact OE1-CE 3.41Å; E582-K586 IonicContact OE1-NZ 3.9Å; E582-K586 PolarHBondContact OE1-NZ 2.83Å; V584-K586 PolarHBondContact O-N 3.33Å; K586-S590 PolarHBondContact O-N 3.12Å
587F95.9Very high95.7Very high3 Ų366 Ų661%0.01332%0.315CS..Hα-helixtrans-65.6-49.6177.9-175.8-104.6000112.6I471 Y474 T583 V584 R585 L589 S590 Q591 P605 T606I471-F587 HydrophobicContact CB-CG 4.46Å; I471-F587 HydrophobicContact CD1-CB 3.83Å; I471-F587 HydrophobicContact CD1-CD1 3.7Å; I471-F587 HydrophobicContact CD1-CE1 4.47Å; I471-F587 HydrophobicContact CD1-CG 3.83Å; I471-F587 HydrophobicContact CG1-CB 4.33Å; I471-F587 HydrophobicContact CG1-CD1 3.69Å; I471-F587 HydrophobicContact CG1-CD2 4.31Å; I471-F587 HydrophobicContact CG1-CE1 4.02Å; I471-F587 HydrophobicContact CG1-CG 3.84Å; I471-F587 HydrophobicContact CG1-CZ 4.45Å; I471-F587 HydrophobicContact CG2-CB 4Å; I471-F587 HydrophobicContact CG2-CD1 4.47Å; I471-F587 HydrophobicContact CG2-CD2 3.62Å; I471-F587 HydrophobicContact CG2-CE2 4.19Å; I471-F587 HydrophobicContact CG2-CG 3.76Å; Y474-F587 AromaticContact CD1-CE2 3.55Å; Y474-F587 HydrophobicContact CD1-CE2 3.55Å; Y474-F587 AromaticContact CD1-CZ 3.68Å; Y474-F587 HydrophobicContact CD1-CZ 3.68Å; Y474-F587 AromaticContact CE1-CE2 3.67Å; Y474-F587 HydrophobicContact CE1-CE2 3.67Å; Y474-F587 AromaticContact CE1-CZ 3.75Å; Y474-F587 HydrophobicContact CE1-CZ 3.75Å; T583-F587 WeakPolarHBondContact O-CB 3.44Å; T583-F587 PolarHBondContact O-N 3.36Å; T583-F587 VanDerWaalsContact O-N 3.14Å; V584-F587 WeakPolarHBondContact O-CB 3.17Å; V584-F587 PolarHBondContact O-N 3.35Å; R585-F587 PolarHBondContact O-N 3.45Å; F587-L589 VanDerWaalsContact C-N 3.33Å; F587-L589 PolarHBondContact O-N 3.41Å; F587-S590 WeakPolarHBondContact O-CB 3.42Å; F587-S590 PolarHBondContact O-N 3.45Å; F587-S590 PolarHBondContact O-OG 2.61Å; F587-Q591 HydrophobicContact CD1-CG 4.09Å; F587-Q591 HydrophobicContact CE1-CG 3.69Å; F587-Q591 HydrophobicContact CZ-CG 3.96Å; F587-Q591 WeakPolarHBondContact O-CG 3.39Å; F587-Q591 PolarHBondContact O-N 3.21Å; F587-P605 HydrophobicContact CD1-CB 4.48Å; F587-P605 HydrophobicContact CE1-CB 4.41Å; F587-P605 WeakPolarHBondContact CE1-O 3.28Å; F587-T606 HydrophobicContact CE1-CG2 3.78Å; F587-T606 HydrophobicContact CZ-CG2 3.67Å
588L96.9Very high95.9Very high1 Ų165.5 Ų65.51%0.00531%0.313CS..Hα-helixtrans-58.6-44.5178.7-69.8175.6000111.8Y577 N578 F579 V584 R585 S590 Q591 L592 L600 P605Y577-L588 HydrophobicContact CD2-CD1 3.86Å; Y577-L588 HydrophobicContact CD2-CD2 3.8Å; Y577-L588 HydrophobicContact CD2-CG 4.42Å; Y577-L588 HydrophobicContact CE2-CD1 4.3Å; Y577-L588 HydrophobicContact CE2-CD2 3.58Å; N578-L588 WeakPolarHBondContact O-CD1 3.48Å; F579-L588 HydrophobicContact CD1-CB 4.16Å; F579-L588 HydrophobicContact CD1-CD1 4.01Å; F579-L588 HydrophobicContact CE1-CB 3.63Å; F579-L588 HydrophobicContact CE1-CD1 3.96Å; F579-L588 HydrophobicContact CE1-CG 4.48Å; F579-L588 HydrophobicContact CZ-CB 4.47Å; F579-L588 HydrophobicContact CZ-CD1 4.49Å; V584-L588 HydrophobicContact CG1-CD1 3.86Å; V584-L588 HydrophobicContact CG1-CG 4.09Å; V584-L588 WeakPolarHBondContact O-CG 3.45Å; V584-L588 PolarHBondContact O-N 2.89Å; R585-L588 PolarHBondContact O-N 3.25Å; L588-S590 VanDerWaalsContact C-N 3.25Å; L588-S590 PolarHBondContact O-N 2.51Å; L588-Q591 WeakPolarHBondContact O-CB 3.29Å; L588-Q591 PolarHBondContact O-N 3.37Å; L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 2.89Å; L588-L600 HydrophobicContact CD2-CD1 4.11Å; L588-P605 HydrophobicContact CD2-CB 3.9Å
589L97.3Very high96.1Very high78 Ų7863.4 Ų63.441%0.40830%0.302SS..Hα-helixtrans-58.3-39.4176.1-68.9173.5000111.8F579 R585 F587 L592 Q593F579-L589 HydrophobicContact CE1-CD2 4.18Å; F579-L589 HydrophobicContact CE1-CG 4.36Å; R585-L589 HydrophobicContact CG-CD1 4.12Å; R585-L589 WeakPolarHBondContact O-CG 3.25Å; R585-L589 PolarHBondContact O-N 3.26Å; F587-L589 VanDerWaalsContact C-N 3.33Å; F587-L589 PolarHBondContact O-N 3.41Å; L589-L592 PolarHBondContact O-N 3.41Å; L589-Q593 WeakPolarHBondContact O-CG 3.16Å; L589-Q593 PolarHBondContact O-N 3Å
590S95.8Very high96.2Very high51 Ų5160.7 Ų60.736%0.35729%0.29SS..Hα-helixtrans-66.3-35.2174.378.30000113K586 F587 L588 Q593K586-S590 PolarHBondContact O-N 3.12Å; F587-S590 WeakPolarHBondContact O-CB 3.42Å; F587-S590 PolarHBondContact O-N 3.45Å; F587-S590 PolarHBondContact O-OG 2.61Å; L588-S590 VanDerWaalsContact C-N 3.25Å; L588-S590 PolarHBondContact O-N 2.51Å; S590-Q593 PolarHBondContact O-N 3.48Å
591Q95.4Very high96.4Very high3 Ų352.8 Ų52.81%0.01425%0.253CS..Hα-helixtrans-67.1-41.7176.3-63.9-56.9-6500111.5F587 L588 Q593 K594 L600F587-Q591 HydrophobicContact CD1-CG 4.09Å; F587-Q591 HydrophobicContact CE1-CG 3.69Å; F587-Q591 HydrophobicContact CZ-CG 3.96Å; F587-Q591 WeakPolarHBondContact O-CG 3.39Å; F587-Q591 PolarHBondContact O-N 3.21Å; L588-Q591 WeakPolarHBondContact O-CB 3.29Å; L588-Q591 PolarHBondContact O-N 3.37Å; Q591-Q593 PolarHBondContact O-N 3.31Å; Q591-K594 VanDerWaalsContact O-CB 3.25Å; Q591-K594 WeakPolarHBondContact O-CB 3.38Å; Q591-K594 WeakPolarHBondContact O-CG 3.34Å; Q591-K594 PolarHBondContact O-N 2.97Å; Q591-K594 VanDerWaalsContact O-N 3.08Å; Q591-K594 VanDerWaalsContact OE1-CE 3.29Å; Q591-L600 HydrophobicContact CB-CD1 4Å; Q591-L600 HydrophobicContact CB-CD2 4Å; Q591-L600 HydrophobicContact CG-CD2 4.45Å
592L95.9Very high96.5Very high37 Ų3750.4 Ų50.419%0.19424%0.241CC..Hα-helixtrans-68.9-18.2-178.2-63.2175.2000113.4F572 F579 L588 L589 L600F572-L592 HydrophobicContact CB-CD2 4.23Å; F572-L592 HydrophobicContact CD1-CD1 4.21Å; F572-L592 HydrophobicContact CD1-CD2 3.51Å; F572-L592 HydrophobicContact CE1-CD1 3.97Å; F572-L592 HydrophobicContact CE1-CD2 4.07Å; F572-L592 HydrophobicContact CG-CD2 3.97Å; F572-L592 HydrophobicContact CZ-CD1 4.25Å; F579-L592 HydrophobicContact CZ-CD1 4.13Å; L588-L592 WeakPolarHBondContact O-CG 3.4Å; L588-L592 PolarHBondContact O-N 2.89Å; L589-L592 PolarHBondContact O-N 3.41Å; L592-L600 HydrophobicContact CD2-CD1 4.12Å
593Q95.8Very high96.5Very high167 Ų16744.7 Ų44.778%0.7821%0.214SC*.THydrogen-bonded Turntrans-85.8-6.1174.4-70.2175.8-5.100113.5L589 S590 Q591L589-Q593 WeakPolarHBondContact O-CG 3.16Å; L589-Q593 PolarHBondContact O-N 3Å; S590-Q593 PolarHBondContact O-N 3.48Å; Q591-Q593 PolarHBondContact O-N 3.31Å
594K95.3Very high96.5Very high70 Ų7042.2 Ų42.230%0.30420%0.198SC..SBendtrans-65.1160.3177.7-70.5179.6170.7-177.50111.7Y474 Q591 R596 V598Y474-K594 PolarHBondContact OH-NZ 3.31Å; Q591-K594 VanDerWaalsContact O-CB 3.25Å; Q591-K594 WeakPolarHBondContact O-CB 3.38Å; Q591-K594 WeakPolarHBondContact O-CG 3.34Å; Q591-K594 PolarHBondContact O-N 2.97Å; Q591-K594 VanDerWaalsContact O-N 3.08Å; Q591-K594 VanDerWaalsContact OE1-CE 3.29Å; K594-R596 PolarHBondContact O-N 2.95Å; K594-V598 HydrophobicContact CB-CG2 3.93Å
595T96.1Very high96.4Very high91 Ų9142 Ų4256%0.55820%0.198SC*.SBendtrans-57.1127.5174.7-50.50000110.3G612T595-G612 VanDerWaalsContact O-CA 3.29Å; T595-G612 WeakPolarHBondContact O-CA 3.18Å
596R97.8Very high96.4Very high121 Ų12135.6 Ų35.646%0.45717%0.174SC..SBendtrans-71.7150.9-179.8-64.3-175-172.9-176.49.3110.8Q567 Q568 L569 K594Q567-R596 WeakPolarHBondContact O-CB 3.43Å; Q567-R596 WeakPolarHBondContact O-CD 3.09Å; Q568-R596 PolarHBondContact O-NH1 3.31Å; L569-R596 WeakPolarHBondContact O-CG 3.48Å; K594-R596 PolarHBondContact O-N 2.95Å
597P97.8Very high96.3Very high0 Ų030 Ų300%015%0.15CC..PPolyproline II helixcis-76.6134.64.426.4-26.2000111.7Y566 L569 G610 G611 G612 W617Y566-P597 HydrophobicContact CD2-CG 4.1Å; Y566-P597 WeakPolarHBondContact O-CB 3.37Å; L569-P597 HydrophobicContact CB-CB 3.96Å; L569-P597 HydrophobicContact CD1-CB 4.4Å; L569-P597 WeakPolarHBondContact O-CA 3.26Å; P597-G610 CarbonylContact O-C 3.59Å; P597-G610 VanDerWaalsContact O-CA 3.32Å; P597-G610 WeakPolarHBondContact O-CA 3.38Å; P597-G611 PolarHBondContact O-N 3.47Å; P597-G612 PolarHBondContact O-N 3.21Å; P597-G612 VanDerWaalsContact O-N 3.08Å; P597-W617 HydrophobicContact CG-CD2 3.89Å; P597-W617 HydrophobicContact CG-CG 3.81Å; P597-W617 HydrophobicContact CG-CZ2 4.23Å
598V98.2Very high96.4Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-106.5121.8168.7177.70000107.5L569 C570 I571 K594 L600 D608L569-V598 PolarHBondContact O-N 3.23Å; C570-V598 CarbonylContact C-O 3.47Å; C570-V598 WeakPolarHBondContact CA-O 3.43Å; I571-V598 PolarHBondContact N-O 3.1Å; K594-V598 HydrophobicContact CB-CG2 3.93Å; V598-L600 HydrophobicContact CG1-CD2 3.82Å; V598-L600 HydrophobicContact CG1-CG 4.06Å; V598-D608 WeakPolarHBondContact CA-OD1 3.39Å
599I98.3Very high96.3Very high0 Ų031.7 Ų31.70%016%0.16CC..EExtended strand (participates in β ladder)trans-134.6100174.2-53.9178.6000106.6L535 I571 W573 D608 V609 W617L535-I599 HydrophobicContact CB-CG2 4.04Å; L535-I599 HydrophobicContact CD1-CG2 4.13Å; I571-I599 HydrophobicContact CB-CG1 4.4Å; I571-I599 HydrophobicContact CB-CG2 4.37Å; I571-I599 HydrophobicContact CD1-CD1 4.43Å; I571-I599 HydrophobicContact CD1-CG1 4.27Å; I571-I599 WeakPolarHBondContact O-CA 3.04Å; W573-I599 HydrophobicContact CZ3-CG2 4.31Å; I599-D608 PolarHBondContact N-OD1 3.27Å; I599-V609 HydrophobicContact CB-CG2 3.94Å; I599-V609 HydrophobicContact CG2-CG2 3.81Å; I599-V609 VanDerWaalsContact O-CG2 3.27Å; I599-V609 WeakPolarHBondContact O-CG2 2.96Å; I599-V609 PolarHBondContact O-N 2.78Å; I599-W617 HydrophobicContact CD1-CH2 4.15Å; I599-W617 HydrophobicContact CD1-CZ2 4.22Å
600L98.1Very high96.3Very high0 Ų028 Ų280%014%0.141CC..BIsolated β-bridgetrans-79.4131.3-177.9-58.3-174.1000110.9I571 F572 W573 L588 Q591 L592 V598 D608I571-L600 PolarHBondContact O-N 3.48Å; F572-L600 HydrophobicContact CB-CB 3.97Å; F572-L600 HydrophobicContact CB-CD1 3.89Å; F572-L600 HydrophobicContact CB-CG 4.11Å; W573-L600 WeakPolarHBondContact CZ3-O 3.35Å; L588-L600 HydrophobicContact CD2-CD1 4.11Å; Q591-L600 HydrophobicContact CB-CD1 4Å; Q591-L600 HydrophobicContact CB-CD2 4Å; Q591-L600 HydrophobicContact CG-CD2 4.45Å; L592-L600 HydrophobicContact CD2-CD1 4.12Å; V598-L600 HydrophobicContact CG1-CD2 3.82Å; V598-L600 HydrophobicContact CG1-CG 4.06Å; L600-D608 HydrophobicContact CD2-CB 3.88Å
601D97.3Very high96.2Very high3 Ų326.1 Ų26.12%0.01613%0.13CC..  trans-59.4120.6173.2179-10.8000109.4Q492 Y531 Y577 A603 E604 G607Q492-D601 PolarHBondContact NE2-OD2 2.86Å; Y531-D601 HydrophobicContact CE1-CB 4.33Å; Y531-D601 PolarHBondContact OH-OD1 3.44Å; Y531-D601 VanDerWaalsContact OH-OD1 3.13Å; Y577-D601 VanDerWaalsContact CE1-O 3.27Å; Y577-D601 WeakPolarHBondContact CE1-O 3.22Å; Y577-D601 PolarHBondContact OH-O 2.95Å; D601-A603 PolarHBondContact O-N 2.83Å; D601-A603 WeakPolarHBondContact OD1-CB 3.37Å; D601-A603 PolarHBondContact OD1-N 3.12Å; D601-E604 PolarHBondContact O-N 2.83Å; D601-G607 WeakPolarHBondContact CB-O 3.28Å; D601-G607 PolarHBondContact N-O 3.24Å
602P96.6Very high96.1Very high0 Ų026.3 Ų26.30%013%0.132CC..THydrogen-bonded Turntrans-60.5-14.8-179.726.1-36.6000113.9F495 L535 W573 N576F495-P602 HydrophobicContact CB-CG 4.48Å; F495-P602 HydrophobicContact CD1-CB 4.38Å; F495-P602 HydrophobicContact CD1-CG 3.62Å; F495-P602 HydrophobicContact CD2-CB 3.86Å; F495-P602 HydrophobicContact CD2-CG 3.99Å; F495-P602 HydrophobicContact CE1-CB 4.36Å; F495-P602 HydrophobicContact CE1-CG 3.73Å; F495-P602 HydrophobicContact CE2-CB 3.82Å; F495-P602 HydrophobicContact CE2-CG 4.08Å; F495-P602 HydrophobicContact CG-CB 4.14Å; F495-P602 HydrophobicContact CG-CG 3.76Å; F495-P602 HydrophobicContact CZ-CB 4.09Å; F495-P602 HydrophobicContact CZ-CG 3.96Å; L535-P602 HydrophobicContact CD2-CG 3.9Å; W573-P602 HydrophobicContact CB-CB 4.07Å; W573-P602 HydrophobicContact CD2-CB 4.3Å; W573-P602 HydrophobicContact CE3-CB 4.11Å; W573-P602 HydrophobicContact CE3-CG 4.36Å; W573-P602 HydrophobicContact CG-CB 4.31Å; N576-P602 WeakPolarHBondContact CB-O 3.49Å; N576-P602 PolarHBondContact ND2-O 3.35Å
603A95.2Very high95.8Very high0 Ų031.1 Ų31.10%016%0.158CC..THydrogen-bonded Turntrans-100.8-20.2-179.600000114.4F488 L491 Q492 D601F488-A603 HydrophobicContact CB-CB 4Å; F488-A603 WeakPolarHBondContact CD1-O 3.38Å; F488-A603 WeakPolarHBondContact CG-O 3.11Å; L491-A603 HydrophobicContact CB-CB 3.69Å; Q492-A603 HydrophobicContact CB-CB 4.29Å; Q492-A603 HydrophobicContact CG-CB 3.36Å; D601-A603 PolarHBondContact O-N 2.83Å; D601-A603 WeakPolarHBondContact OD1-CB 3.37Å; D601-A603 PolarHBondContact OD1-N 3.12Å
604E94.6Very high95.7Very high0 Ų029.5 Ų29.50%015%0.145CC..  trans-147.3109-171.8-163.4-7511200110.5L470 G482 F488 D601 T606 G607L470-E604 HydrophobicContact CD2-CG 3.81Å; L470-E604 WeakPolarHBondContact CD2-OE1 3.47Å; G482-E604 VanDerWaalsContact CA-OE2 3.25Å; G482-E604 WeakPolarHBondContact CA-OE2 3.4Å; G482-E604 PolarHBondContact N-OE2 3.23Å; F488-E604 HydrophobicContact CD2-CB 3.9Å; F488-E604 HydrophobicContact CD2-CG 3.53Å; F488-E604 HydrophobicContact CE2-CB 4.4Å; F488-E604 HydrophobicContact CE2-CG 3.63Å; F488-E604 HydrophobicContact CG-CB 4.35Å; F488-E604 HydrophobicContact CG-CG 4.42Å; D601-E604 PolarHBondContact O-N 2.83Å; E604-T606 VanDerWaalsContact C-N 3.31Å; E604-T606 PolarHBondContact O-N 3.09Å; E604-T606 WeakPolarHBondContact OE1-CA 3.41Å; E604-T606 WeakPolarHBondContact OE1-CB 3.33Å; E604-T606 VanDerWaalsContact OE1-CG2 3.26Å; E604-T606 WeakPolarHBondContact OE1-CG2 3.43Å; E604-T606 PolarHBondContact OE1-N 2.78Å; E604-T606 PolarHBondContact OE1-OG1 3.48Å; E604-T606 PolarHBondContact OE2-OG1 3.4Å; E604-G607 PolarHBondContact O-N 2.98Å; E604-G607 VanDerWaalsContact O-N 3.1Å; E604-G607 WeakPolarHBondContact OE2-CA 2.94Å; E604-G607 PolarHBondContact OE2-N 3.23Å
605P94.5Very high95.7Very high0 Ų029.5 Ų29.50%014%0.143CC..THydrogen-bonded Turntrans-71-18.7-16627.4-35000115Y467 Y577 F587 L588 G607Y467-P605 HydrophobicContact CD1-CG 3.68Å; Y467-P605 HydrophobicContact CE1-CG 4.32Å; Y467-P605 HydrophobicContact CG-CG 4.11Å; Y577-P605 HydrophobicContact CD1-CB 3.92Å; Y577-P605 HydrophobicContact CD1-CG 4.15Å; Y577-P605 HydrophobicContact CD2-CB 4.16Å; Y577-P605 HydrophobicContact CE1-CB 3.87Å; Y577-P605 HydrophobicContact CE1-CG 4.42Å; Y577-P605 HydrophobicContact CE2-CB 4.11Å; Y577-P605 HydrophobicContact CG-CB 4.06Å; Y577-P605 HydrophobicContact CG-CG 4.44Å; F587-P605 HydrophobicContact CD1-CB 4.48Å; F587-P605 HydrophobicContact CE1-CB 4.41Å; F587-P605 WeakPolarHBondContact CE1-O 3.28Å; L588-P605 HydrophobicContact CD2-CB 3.9Å; P605-G607 VanDerWaalsContact C-N 3.32Å
606T95.1Very high95.7Very high2 Ų226.5 Ų26.51%0.01213%0.125CC..THydrogen-bonded Turntrans-82.2-13.5175.280.20000112.5L470 I471 Y474 G481 G482 F587 E604 D608L470-T606 HydrophobicContact CD2-CG2 4.41Å; L470-T606 HydrophobicContact CG-CG2 4.12Å; I471-T606 HydrophobicContact CG1-CG2 4.35Å; Y474-T606 HydrophobicContact CD1-CG2 4.29Å; Y474-T606 HydrophobicContact CD2-CG2 4.36Å; Y474-T606 HydrophobicContact CG-CG2 3.93Å; G481-T606 WeakPolarHBondContact CA-O 3.38Å; G482-T606 PolarHBondContact N-OG1 3.47Å; F587-T606 HydrophobicContact CE1-CG2 3.78Å; F587-T606 HydrophobicContact CZ-CG2 3.67Å; E604-T606 VanDerWaalsContact C-N 3.31Å; E604-T606 PolarHBondContact O-N 3.09Å; E604-T606 WeakPolarHBondContact OE1-CA 3.41Å; E604-T606 WeakPolarHBondContact OE1-CB 3.33Å; E604-T606 VanDerWaalsContact OE1-CG2 3.26Å; E604-T606 WeakPolarHBondContact OE1-CG2 3.43Å; E604-T606 PolarHBondContact OE1-N 2.78Å; E604-T606 PolarHBondContact OE1-OG1 3.48Å; E604-T606 PolarHBondContact OE2-OG1 3.4Å; T606-D608 PolarHBondContact O-N 3.47Å; T606-D608 VanDerWaalsContact O-N 3.16Å
607G95Very high95.6Very high4 Ų420.8 Ų20.84%0.04110%0.104CC..  trans-84.977.9-175.800000113D601 E604 P605 V609D601-G607 WeakPolarHBondContact CB-O 3.28Å; D601-G607 PolarHBondContact N-O 3.24Å; E604-G607 PolarHBondContact O-N 2.98Å; E604-G607 VanDerWaalsContact O-N 3.1Å; E604-G607 WeakPolarHBondContact OE2-CA 2.94Å; E604-G607 PolarHBondContact OE2-N 3.23Å; P605-G607 VanDerWaalsContact C-N 3.32Å; G607-V609 PolarHBondContact O-N 3.32Å
608D96.6Very high95.5Very high19 Ų1925.7 Ų25.710%0.10213%0.126CC..BIsolated β-bridgetrans-76.8101.1165.4177.717.6000110.3V598 I599 L600 T606 G610 G611V598-D608 WeakPolarHBondContact CA-OD1 3.39Å; I599-D608 PolarHBondContact N-OD1 3.27Å; L600-D608 HydrophobicContact CD2-CB 3.88Å; T606-D608 PolarHBondContact O-N 3.47Å; T606-D608 VanDerWaalsContact O-N 3.16Å; D608-G610 VanDerWaalsContact C-N 3.32Å; D608-G610 WeakPolarHBondContact OD1-CA 3.37Å; D608-G610 PolarHBondContact OD1-N 3.16Å; D608-G611 VanDerWaalsContact CG-N 3.29Å; D608-G611 PolarHBondContact OD1-N 2.87Å; D608-G611 PolarHBondContact OD2-N 3.02Å
609V96.3Very high95.4Very high20 Ų2027.2 Ų27.212%0.12113%0.134CC..SBendtrans-82.4-13.8177.4-57.30000112.6P529 Y531 A532 L535 I599 G607P529-V609 HydrophobicContact CG-CB 4.11Å; Y531-V609 HydrophobicContact CD1-CG1 4.06Å; A532-V609 HydrophobicContact CB-CB 4.11Å; A532-V609 HydrophobicContact CB-CG2 3.78Å; L535-V609 HydrophobicContact CD1-CG2 3.86Å; I599-V609 HydrophobicContact CB-CG2 3.94Å; I599-V609 HydrophobicContact CG2-CG2 3.81Å; I599-V609 VanDerWaalsContact O-CG2 3.27Å; I599-V609 WeakPolarHBondContact O-CG2 2.96Å; I599-V609 PolarHBondContact O-N 2.78Å; G607-V609 PolarHBondContact O-N 3.32Å
610G95.8Very high95.2Very high0 Ų027.2 Ų27.20%013%0.134CC..SBendtrans-70.5-44.1169.900000110.9P597 D608 G612 W615 W617P597-G610 CarbonylContact O-C 3.59Å; P597-G610 VanDerWaalsContact O-CA 3.32Å; P597-G610 WeakPolarHBondContact O-CA 3.38Å; D608-G610 VanDerWaalsContact C-N 3.32Å; D608-G610 WeakPolarHBondContact OD1-CA 3.37Å; D608-G610 PolarHBondContact OD1-N 3.16Å; G610-G612 PolarHBondContact O-N 3.1Å; G610-G612 VanDerWaalsContact O-N 3.15Å; G610-W615 VanDerWaalsContact O-CD1 3.29Å; G610-W617 PolarHBondContact O-NE1 3.26Å
611G94.2Very high95.2Very high12 Ų1227.5 Ų27.512%0.12414%0.137CC..  trans69.57.6162.700000116.1P597 D608 D613 R614P597-G611 PolarHBondContact O-N 3.47Å; D608-G611 VanDerWaalsContact CG-N 3.29Å; D608-G611 PolarHBondContact OD1-N 2.87Å; D608-G611 PolarHBondContact OD2-N 3.02Å; G611-D613 PolarHBondContact O-N 3.4Å; G611-R614 WeakPolarHBondContact O-CB 3.5Å; G611-R614 PolarHBondContact O-N 2.94Å
612G93.2Very high94.9Very high6 Ų632.7 Ų32.76%0.06216%0.159CC..G310 helixtrans53.9-129.8-178.100000112.3T595 P597 G610 R614T595-G612 VanDerWaalsContact O-CA 3.29Å; T595-G612 WeakPolarHBondContact O-CA 3.18Å; P597-G612 PolarHBondContact O-N 3.21Å; P597-G612 VanDerWaalsContact O-N 3.08Å; G610-G612 PolarHBondContact O-N 3.1Å; G610-G612 VanDerWaalsContact O-N 3.15Å; G612-R614 PolarHBondContact O-N 3.16Å
613D91.1Very high94.8Very high138 Ų13833.2 Ų33.274%0.73816%0.162SC*.G310 helixtrans-76.30179.6-59.2-44000114.2G611 W615G611-D613 PolarHBondContact O-N 3.4Å; D613-W615 PolarHBondContact O-N 2.69Å
614R93.1Very high94.8Very high134 Ų13433.2 Ų33.251%0.50616%0.162SC..G310 helixtrans-61.9-29.6175.4-172.3-177.6-63177.22.2111.8G611 G612G611-R614 WeakPolarHBondContact O-CB 3.5Å; G611-R614 PolarHBondContact O-N 2.94Å; G612-R614 PolarHBondContact O-N 3.16Å
615W94.9Very high94.7Very high69 Ų6939.7 Ų39.726%0.26119%0.19SC..SBendtrans-117.6147.2-176.9-50.7123.8000111.4P528 G610 D613 W617P528-W615 HydrophobicContact CB-CB 3.92Å; P528-W615 HydrophobicContact CB-CG 3.95Å; G610-W615 VanDerWaalsContact O-CD1 3.29Å; D613-W615 PolarHBondContact O-N 2.69Å; W615-W617 PolarHBondContact O-N 3.07Å
616C95.5Very high94.4Very high29 Ų2941.2 Ų41.220%0.19620%0.197CC..  trans-79.558179.5-630000112S526 H618 L619S526-C616 PolarHBondContact O-N 3.22Å; C616-H618 PolarHBondContact O-N 3.11Å; C616-L619 HydrophobicContact CB-CB 4.43Å; C616-L619 HydrophobicContact CB-CD1 3.71Å; C616-L619 HydrophobicContact CB-CG 3.95Å; C616-L619 WeakPolarHBondContact O-CB 3.3Å; C616-L619 PolarHBondContact O-N 3.22Å
617W96.9Very high94.2Very high1 Ų141.7 Ų41.70%0.00420%0.199CC..Hα-helixtrans-56.1-32.6177.5-78.997.2000112.9P528 A532 L533 V563 Y566 P597 I599 G610 W615 L619 L620 A621P528-W617 HydrophobicContact CB-CD2 4.19Å; P528-W617 VanDerWaalsContact CB-CE2 3.5Å; P528-W617 HydrophobicContact CB-CH2 4.15Å; P528-W617 HydrophobicContact CB-CZ2 3.48Å; P528-W617 VanDerWaalsContact CB-CZ2 3.48Å; P528-W617 HydrophobicContact CG-CD2 3.82Å; P528-W617 HydrophobicContact CG-CE3 4.07Å; P528-W617 HydrophobicContact CG-CG 4.43Å; P528-W617 HydrophobicContact CG-CH2 4.01Å; P528-W617 HydrophobicContact CG-CZ2 3.75Å; P528-W617 HydrophobicContact CG-CZ3 4.16Å; A532-W617 HydrophobicContact CB-CH2 4.31Å; A532-W617 HydrophobicContact CB-CZ2 4.16Å; L533-W617 HydrophobicContact CD1-CH2 4.35Å; L533-W617 HydrophobicContact CD1-CZ3 4.24Å; L533-W617 HydrophobicContact CD2-CH2 4.46Å; V563-W617 HydrophobicContact CG2-CZ3 4.37Å; Y566-W617 HydrophobicContact CD1-CB 4.16Å; Y566-W617 HydrophobicContact CD2-CB 3.26Å; Y566-W617 AromaticContact CD2-CG 3.86Å; Y566-W617 HydrophobicContact CD2-CG 3.86Å; Y566-W617 HydrophobicContact CE1-CB 4.38Å; Y566-W617 HydrophobicContact CE2-CB 3.53Å; Y566-W617 HydrophobicContact CE2-CG 4.45Å; Y566-W617 HydrophobicContact CG-CB 3.61Å; Y566-W617 HydrophobicContact CG-CG 4.24Å; P597-W617 HydrophobicContact CG-CD2 3.89Å; P597-W617 HydrophobicContact CG-CG 3.81Å; P597-W617 HydrophobicContact CG-CZ2 4.23Å; I599-W617 HydrophobicContact CD1-CH2 4.15Å; I599-W617 HydrophobicContact CD1-CZ2 4.22Å; G610-W617 PolarHBondContact O-NE1 3.26Å; W615-W617 PolarHBondContact O-N 3.07Å; W617-L619 VanDerWaalsContact C-N 3.26Å; W617-L619 PolarHBondContact O-N 2.88Å; W617-L620 HydrophobicContact CE3-CD2 4.36Å; W617-L620 HydrophobicContact CZ3-CD2 4.31Å; W617-L620 PolarHBondContact O-N 3.42Å; W617-L620 VanDerWaalsContact O-N 3.11Å; W617-A621 WeakPolarHBondContact O-CB 3.41Å; W617-A621 PolarHBondContact O-N 3.38Å
618H95.6Very high94Very high102 Ų10244.2 Ų44.247%0.47221%0.211SC..Hα-helixtrans-58.4-34.1175.864.6-87.4000113.4C616 K622C616-H618 PolarHBondContact O-N 3.11Å; H618-K622 PolarHBondContact O-N 3.41Å
619L95.2Very high93.5Very high32 Ų3244.7 Ų44.717%0.16822%0.216CC..Hα-helixtrans-68.2-43.8175.4-63.7179.5000110.7L521 K524 L527 C616 W617 A621 K622 E623L521-L619 HydrophobicContact CD1-CB 4.23Å; K524-L619 HydrophobicContact CB-CD1 4Å; L527-L619 HydrophobicContact CD2-CB 4.25Å; C616-L619 HydrophobicContact CB-CB 4.43Å; C616-L619 HydrophobicContact CB-CD1 3.71Å; C616-L619 HydrophobicContact CB-CG 3.95Å; C616-L619 WeakPolarHBondContact O-CB 3.3Å; C616-L619 PolarHBondContact O-N 3.22Å; W617-L619 VanDerWaalsContact C-N 3.26Å; W617-L619 PolarHBondContact O-N 2.88Å; L619-A621 VanDerWaalsContact C-N 3.34Å; L619-K622 PolarHBondContact O-N 3.05Å; L619-E623 PolarHBondContact O-N 2.87Å; L619-E623 VanDerWaalsContact O-N 3.14Å
620L95.4Very high93.2Very high0 Ų043.8 Ų43.80%021%0.21CC..Hα-helixtrans-67.7-37178.3-16567.6000111.4W513 Y514 C517 P528 L533 V563 W617 E623 A624W513-L620 HydrophobicContact CH2-CD1 3.55Å; W513-L620 HydrophobicContact CH2-CD2 4.14Å; W513-L620 HydrophobicContact CH2-CG 3.7Å; W513-L620 HydrophobicContact CZ2-CD1 4.05Å; W513-L620 HydrophobicContact CZ2-CG 4.47Å; W513-L620 HydrophobicContact CZ3-CD1 4.09Å; W513-L620 HydrophobicContact CZ3-CD2 4.36Å; W513-L620 HydrophobicContact CZ3-CG 4.36Å; Y514-L620 HydrophobicContact CD2-CD1 4.2Å; Y514-L620 HydrophobicContact CD2-CD2 4.25Å; Y514-L620 HydrophobicContact CE2-CD1 4.48Å; Y514-L620 HydrophobicContact CE2-CD2 4.3Å; C517-L620 HydrophobicContact CB-CD1 3.88Å; P528-L620 HydrophobicContact CG-CD2 4.13Å; L533-L620 HydrophobicContact CD1-CD2 4.08Å; L533-L620 HydrophobicContact CD2-CD2 4.35Å; V563-L620 HydrophobicContact CG1-CB 4.17Å; V563-L620 HydrophobicContact CG1-CD2 3.91Å; V563-L620 HydrophobicContact CG1-CG 3.78Å; W617-L620 HydrophobicContact CE3-CD2 4.36Å; W617-L620 HydrophobicContact CZ3-CD2 4.31Å; W617-L620 PolarHBondContact O-N 3.42Å; W617-L620 VanDerWaalsContact O-N 3.11Å; L620-E623 PolarHBondContact O-N 3.44Å; L620-A624 WeakPolarHBondContact O-CB 3.44Å; L620-A624 PolarHBondContact O-N 3.28Å
621A96.4Very high92.9Very high6 Ų644.4 Ų44.45%0.0521%0.214CC..Hα-helixtrans-64.1-39173.700000112.5Y566 W617 L619 A624 K625Y566-A621 HydrophobicContact CD1-CB 3.87Å; Y566-A621 HydrophobicContact CE1-CB 3.95Å; W617-A621 WeakPolarHBondContact O-CB 3.41Å; W617-A621 PolarHBondContact O-N 3.38Å; L619-A621 VanDerWaalsContact C-N 3.34Å; A621-A624 PolarHBondContact O-N 3.32Å; A621-K625 WeakPolarHBondContact O-CG 3.42Å; A621-K625 PolarHBondContact O-N 2.93Å
622K92.8Very high92.8Very high112 Ų11243.8 Ų43.849%0.48721%0.208SC..Hα-helixtrans-61.1-48.1173-175.2179.8175.3-177.80110.6E236 H618 L619 A624 K625 E626E236-K622 WeakPolarHBondContact OE1-CE 3.23Å; E236-K622 IonicContact OE1-NZ 2.61Å; E236-K622 PolarHBondContact OE1-NZ 2.95Å; H618-K622 PolarHBondContact O-N 3.41Å; L619-K622 PolarHBondContact O-N 3.05Å; K622-A624 PolarHBondContact O-N 2.81Å; K622-K625 PolarHBondContact O-N 3.33Å; K622-E626 VanDerWaalsContact CE-OE1 3.25Å; K622-E626 WeakPolarHBondContact CE-OE1 3.36Å; K622-E626 IonicContact NZ-OE1 2.85Å; K622-E626 PolarHBondContact O-N 3.02Å
623E93.1Very high92.9Very high11 Ų1143.7 Ų43.75%0.05121%0.206CC..Hα-helixtrans-61.9-44.3178.3-16567.4-155.800111.9K520 L521 L619 L620 K625 E626 W627K520-E623 WeakPolarHBondContact CD-OE2 3.33Å; K520-E623 WeakPolarHBondContact CE-OE2 3.48Å; K520-E623 IonicContact NZ-OE1 2.62Å; K520-E623 PolarHBondContact NZ-OE1 3.26Å; K520-E623 IonicContact NZ-OE2 2.97Å; K520-E623 PolarHBondContact NZ-OE2 3.39Å; L521-E623 HydrophobicContact CD1-CB 4.24Å; L619-E623 PolarHBondContact O-N 2.87Å; L619-E623 VanDerWaalsContact O-N 3.14Å; L620-E623 PolarHBondContact O-N 3.44Å; E623-K625 VanDerWaalsContact C-N 3.3Å; E623-K625 PolarHBondContact O-N 3.28Å; E623-E626 PolarHBondContact O-N 2.86Å; E623-W627 VanDerWaalsContact O-CD1 3.25Å; E623-W627 PolarHBondContact O-N 3.44Å
624A95.2Very high92.7Very high0 Ų040.6 Ų40.60%019%0.186CC..Hα-helixtrans-58.2-41176.800000111.9W513 L560 V563 T564 L620 A621 K622 W627 L628W513-A624 HydrophobicContact CH2-CB 4.44Å; W513-A624 HydrophobicContact CZ2-CB 4.17Å; L560-A624 HydrophobicContact CB-CB 4.23Å; L560-A624 HydrophobicContact CD2-CB 4.07Å; V563-A624 HydrophobicContact CB-CB 4.3Å; V563-A624 HydrophobicContact CG1-CB 4.03Å; T564-A624 HydrophobicContact CG2-CB 3.88Å; L620-A624 WeakPolarHBondContact O-CB 3.44Å; L620-A624 PolarHBondContact O-N 3.28Å; A621-A624 PolarHBondContact O-N 3.32Å; K622-A624 PolarHBondContact O-N 2.81Å; A624-W627 WeakPolarHBondContact O-CB 3.17Å; A624-W627 PolarHBondContact O-N 3.45Å; A624-L628 WeakPolarHBondContact O-CG 3.48Å; A624-L628 PolarHBondContact O-N 3.17Å; A624-L628 VanDerWaalsContact O-N 3.12Å
625K92.8Very high92.4Very high136 Ų13637 Ų3759%0.59118%0.177SC*.Hα-helixtrans-62.6-42175.7-73.8177.3-177.1-178.10112.8T564 A621 K622 E623 W627 L628T564-K625 HydrophobicContact CG2-CG 3.6Å; A621-K625 WeakPolarHBondContact O-CG 3.42Å; A621-K625 PolarHBondContact O-N 2.93Å; K622-K625 PolarHBondContact O-N 3.33Å; E623-K625 VanDerWaalsContact C-N 3.3Å; E623-K625 PolarHBondContact O-N 3.28Å; K625-W627 VanDerWaalsContact C-N 3.29Å; K625-W627 PolarHBondContact O-N 3.23Å; K625-L628 PolarHBondContact O-N 2.98Å
626E88.5Confident91.6Very high33 Ų3336.4 Ų36.415%0.15419%0.193CC..Hα-helixtrans-61.3-42.5174.3-70.4173-158.500110.6K520 K622 E623 L628 S629K520-E626 IonicContact NZ-OE2 3.59Å; K520-E626 PolarHBondContact NZ-OE2 3.16Å; K622-E626 VanDerWaalsContact CE-OE1 3.25Å; K622-E626 WeakPolarHBondContact CE-OE1 3.36Å; K622-E626 IonicContact NZ-OE1 2.85Å; K622-E626 PolarHBondContact O-N 3.02Å; E623-E626 PolarHBondContact O-N 2.86Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.42Å; E626-S629 PolarHBondContact O-N 3.47Å; E626-S629 PolarHBondContact O-OG 2.9Å
627W91.5Very high91.1Very high11 Ų1140.1 Ų40.14%0.04222%0.215CC..Hα-helixtrans-63.9-28.9179.4-9072.3000114.5L304 F305 W513 E516 F556 L560 E623 A624 K625 S629 S630 F633L304-W627 HydrophobicContact CB-CH2 3.99Å; L304-W627 HydrophobicContact CD2-CH2 3.91Å; L304-W627 HydrophobicContact CD2-CZ3 4.02Å; L304-W627 HydrophobicContact CG-CH2 3.78Å; L304-W627 HydrophobicContact CG-CZ3 3.85Å; F305-W627 HydrophobicContact CB-CH2 3.79Å; F305-W627 HydrophobicContact CB-CZ2 3.97Å; F305-W627 HydrophobicContact CB-CZ3 4.18Å; F305-W627 AromaticContact CD2-CD2 3.76Å; F305-W627 HydrophobicContact CD2-CD2 3.76Å; F305-W627 AromaticContact CD2-CE2 3.76Å; F305-W627 HydrophobicContact CD2-CE3 4.03Å; F305-W627 HydrophobicContact CD2-CG 4.21Å; F305-W627 HydrophobicContact CD2-CH2 4.33Å; F305-W627 HydrophobicContact CD2-CZ2 4.06Å; F305-W627 HydrophobicContact CD2-CZ3 4.3Å; F305-W627 HydrophobicContact CE2-CD2 4.38Å; F305-W627 HydrophobicContact CE2-CG 4.38Å; W513-W627 AromaticContact CD1-CD2 3.5Å; W513-W627 AromaticContact CD1-CE2 3.35Å; W513-W627 AromaticContact CD1-CE3 3.77Å; W513-W627 AromaticContact CD1-CH2 3.73Å; W513-W627 AromaticContact CD1-CZ2 3.48Å; W513-W627 VanDerWaalsContact CD1-CZ2 3.48Å; W513-W627 AromaticContact CD1-CZ3 3.87Å; W513-W627 AromaticContact CD1-NE1 3.88Å; W513-W627 AromaticContact NE1-CD1 3.62Å; W513-W627 AromaticContact NE1-CD2 3.44Å; W513-W627 AromaticContact NE1-CE2 3.43Å; W513-W627 AromaticContact NE1-CG 3.57Å; W513-W627 AromaticContact NE1-NE1 3.51Å; E516-W627 WeakPolarHBondContact OE2-CH2 3.44Å; F556-W627 HydrophobicContact CE1-CE3 4.15Å; F556-W627 HydrophobicContact CE1-CZ3 4.03Å; F556-W627 HydrophobicContact CZ-CE3 4.12Å; F556-W627 HydrophobicContact CZ-CZ3 4.06Å; L560-W627 HydrophobicContact CD1-CB 3.67Å; L560-W627 HydrophobicContact CD1-CG 4.48Å; E623-W627 VanDerWaalsContact O-CD1 3.25Å; E623-W627 PolarHBondContact O-N 3.44Å; A624-W627 WeakPolarHBondContact O-CB 3.17Å; A624-W627 PolarHBondContact O-N 3.45Å; K625-W627 VanDerWaalsContact C-N 3.29Å; K625-W627 PolarHBondContact O-N 3.23Å; W627-S629 PolarHBondContact O-N 3.38Å; W627-S630 WeakPolarHBondContact O-CA 3.17Å; W627-S630 WeakPolarHBondContact O-CB 3.45Å; W627-S630 PolarHBondContact O-N 3.2Å; W627-F633 WeakPolarHBondContact O-CD2 3.36Å; W627-F633 WeakPolarHBondContact O-CE2 3.41Å
628L89.8Confident90.3Very high57 Ų5742 Ų4230%0.29823%0.234SC..THydrogen-bonded Turntrans-59.3-16.4178.2-68.3174.8000113.7R557 L560 E561 A624 K625 E626 S630 F633R557-L628 HydrophobicContact CG-CD2 4.14Å; L560-L628 HydrophobicContact CB-CD2 4.32Å; E561-L628 HydrophobicContact CG-CD1 4.32Å; E561-L628 HydrophobicContact CG-CD2 3.94Å; A624-L628 WeakPolarHBondContact O-CG 3.48Å; A624-L628 PolarHBondContact O-N 3.17Å; A624-L628 VanDerWaalsContact O-N 3.12Å; K625-L628 PolarHBondContact O-N 2.98Å; E626-L628 VanDerWaalsContact C-N 3.32Å; E626-L628 PolarHBondContact O-N 3.42Å; L628-S630 VanDerWaalsContact C-N 3.33Å; L628-F633 HydrophobicContact CD2-CE2 4.46Å
629S86.4Confident90Very high29 Ų2941.6 Ų41.620%0.20324%0.235CC..THydrogen-bonded Turntrans-83.1-5.9172.569.60000114.7E626 W627E626-S629 PolarHBondContact O-N 3.47Å; E626-S629 PolarHBondContact O-OG 2.9Å; W627-S629 PolarHBondContact O-N 3.38Å
630S89.8Confident89.7Confident1 Ų144.7 Ų44.71%0.00726%0.257CS..SBendtrans-65.4145.1-176.4171.10000112.4F305 W627 L628 C632 F633F305-S630 PolarHBondContact O-OG 2.89Å; W627-S630 WeakPolarHBondContact O-CA 3.17Å; W627-S630 WeakPolarHBondContact O-CB 3.45Å; W627-S630 PolarHBondContact O-N 3.2Å; L628-S630 VanDerWaalsContact C-N 3.33Å; S630-C632 PolarHBondContact O-N 3.05Å; S630-C632 WeakPolarHBondContact OG-CB 3.37Å; S630-C632 PolarHBondContact OG-N 3.43Å; S630-C632 PolarHBondContact OG-SG 3.44Å; S630-F633 PolarHBondContact O-N 2.92Å; S630-F633 VanDerWaalsContact O-N 3.08Å
631P88.7Confident89.6Confident13 Ų1345.2 Ų45.28%0.08426%0.26CS..G310 helixtrans-50.6-21.1163.5-28.334.8000115.3L245 F305 T307 P308 G309 F633 K634L245-P631 HydrophobicContact CD2-CG 4.37Å; F305-P631 WeakPolarHBondContact O-CD 2.81Å; T307-P631 CarbonylContact O-C 3.53Å; P308-P631 CarbonylContact C-O 3.56Å; P308-P631 WeakPolarHBondContact CA-O 3.43Å; G309-P631 PolarHBondContact N-O 3.1Å; P631-F633 PolarHBondContact O-N 3.26Å; P631-K634 PolarHBondContact O-N 3.1Å
632C92.9Very high89.5Confident0 Ų048.7 Ų48.70%028%0.282CS..G310 helixtrans-54.3-25.6173.6-67.50000112.8L304 T307 G309 L312 A553 F556 S630L304-C632 PolarHBondContact O-SG 2.79Å; T307-C632 WeakPolarHBondContact O-CA 3.21Å; T307-C632 PolarHBondContact O-N 3.48Å; T307-C632 VanDerWaalsContact O-N 3.1Å; T307-C632 PolarHBondContact O-SG 3.16Å; G309-C632 WeakPolarHBondContact CA-O 3.49Å; L312-C632 HydrophobicContact CD1-CB 4.46Å; L312-C632 HydrophobicContact CD2-CB 4.4Å; A553-C632 VanDerWaalsContact CB-O 3.28Å; A553-C632 WeakPolarHBondContact CB-O 3.4Å; F556-C632 HydrophobicContact CD1-CB 4.39Å; F556-C632 HydrophobicContact CE1-CB 4.35Å; S630-C632 PolarHBondContact O-N 3.05Å; S630-C632 WeakPolarHBondContact OG-CB 3.37Å; S630-C632 PolarHBondContact OG-N 3.43Å; S630-C632 PolarHBondContact OG-SG 3.44Å
633F94.3Very high89.6Confident4 Ų445.4 Ų45.42%0.01827%0.272CS..G310 helixtrans-106.823.3-177.7-51.1-53.5000112.6F556 R557 L560 W627 L628 S630 P631 P640 I641F556-F633 HydrophobicContact CB-CE1 4.21Å; F556-F633 AromaticContact CD1-CE1 3.48Å; F556-F633 HydrophobicContact CD1-CE1 3.48Å; F556-F633 VanDerWaalsContact CD1-CE1 3.48Å; F556-F633 AromaticContact CD1-CZ 3.55Å; F556-F633 HydrophobicContact CD1-CZ 3.55Å; F556-F633 HydrophobicContact CE1-CE1 4.09Å; F556-F633 AromaticContact CE1-CZ 3.67Å; F556-F633 HydrophobicContact CE1-CZ 3.67Å; F556-F633 HydrophobicContact CG-CE1 4.03Å; F556-F633 HydrophobicContact CG-CZ 4.25Å; F556-F633 HydrophobicContact CZ-CZ 4.44Å; R557-F633 VanDerWaalsContact CA-CE1 3.45Å; R557-F633 HydrophobicContact CB-CD1 3.49Å; R557-F633 VanDerWaalsContact CB-CD1 3.49Å; R557-F633 HydrophobicContact CB-CE1 3.67Å; R557-F633 HydrophobicContact CB-CG 4.31Å; R557-F633 HydrophobicContact CG-CD1 3.93Å; R557-F633 HydrophobicContact CG-CE1 4.31Å; R557-F633 HydrophobicContact CG-CG 4.27Å; L560-F633 HydrophobicContact CD1-CE2 3.68Å; L560-F633 HydrophobicContact CD1-CZ 3.37Å; L560-F633 HydrophobicContact CG-CZ 4.31Å; W627-F633 WeakPolarHBondContact O-CD2 3.36Å; W627-F633 WeakPolarHBondContact O-CE2 3.41Å; L628-F633 HydrophobicContact CD2-CE2 4.46Å; S630-F633 PolarHBondContact O-N 2.92Å; S630-F633 VanDerWaalsContact O-N 3.08Å; P631-F633 PolarHBondContact O-N 3.26Å; F633-P640 CarbonylContact O-C 3.56Å; F633-P640 WeakPolarHBondContact O-CA 3.09Å; F633-I641 PolarHBondContact O-N 2.9Å
634K88.1Confident89.8Confident73 Ų7346 Ų4632%0.31727%0.274SS..BIsolated β-bridgetrans-120.9139.4173.7-62.5-174.6177.8-170.10111.1G309 P631 N639G309-K634 WeakPolarHBondContact CA-O 3.16Å; G309-K634 PolarHBondContact N-O 3.46Å; G309-K634 VanDerWaalsContact N-O 3.09Å; P631-K634 PolarHBondContact O-N 3.1Å; K634-N639 CarbonylContact C-O 3.48Å; K634-N639 VanDerWaalsContact CA-O 3.23Å; K634-N639 WeakPolarHBondContact CA-O 3.32Å
635D86Confident89.7Confident57 Ų5755.2 Ų55.231%0.30531%0.314SS..  trans-75.5-177.4176.672.313.2000112.1T637 G638 N639 I641D635-T637 VanDerWaalsContact CG-OG1 3.27Å; D635-T637 PolarHBondContact O-N 3.25Å; D635-T637 VanDerWaalsContact O-N 3.14Å; D635-T637 VanDerWaalsContact OD1-CA 3.29Å; D635-T637 WeakPolarHBondContact OD1-CA 3.38Å; D635-T637 WeakPolarHBondContact OD1-CB 3.46Å; D635-T637 PolarHBondContact OD1-N 3.05Å; D635-T637 PolarHBondContact OD1-OG1 2.89Å; D635-T637 PolarHBondContact OD2-OG1 3.35Å; D635-G638 PolarHBondContact O-N 3.49Å; D635-G638 VanDerWaalsContact O-N 3.07Å; D635-G638 PolarHBondContact OD1-N 2.88Å; D635-N639 PolarHBondContact N-O 2.71Å; D635-N639 PolarHBondContact OD1-N 3.34Å; D635-I641 HydrophobicContact CB-CD1 4.35Å; D635-I641 HydrophobicContact CB-CG1 4.11Å
636G79.8Confident89.7Confident58 Ų5850.4 Ų50.460%0.59830%0.296SS*.THydrogen-bonded Turntrans-62.4-15.5178.300000114.9H310H310-G636 WeakPolarHBondContact ND1-CA 3.37Å; H310-G636 PolarHBondContact ND1-N 2.92Å
637T84.4Confident88.9Confident107 Ų10755.7 Ų55.766%0.65633%0.333SS*.THydrogen-bonded Turntrans-101.3-3177.566.30000112.9D635 N639D635-T637 VanDerWaalsContact CG-OG1 3.27Å; D635-T637 PolarHBondContact O-N 3.25Å; D635-T637 VanDerWaalsContact O-N 3.14Å; D635-T637 VanDerWaalsContact OD1-CA 3.29Å; D635-T637 WeakPolarHBondContact OD1-CA 3.38Å; D635-T637 WeakPolarHBondContact OD1-CB 3.46Å; D635-T637 PolarHBondContact OD1-N 3.05Å; D635-T637 PolarHBondContact OD1-OG1 2.89Å; D635-T637 PolarHBondContact OD2-OG1 3.35Å; T637-N639 PolarHBondContact OG1-ND2 2.85Å
638G80.8Confident88.8Confident40 Ų4057.9 Ų57.941%0.41235%0.347SS..SBendtrans87.93.8-179.100000114.7D635D635-G638 PolarHBondContact O-N 3.49Å; D635-G638 VanDerWaalsContact O-N 3.07Å; D635-G638 PolarHBondContact OD1-N 2.88Å
639N87.4Confident88.7Confident94 Ų9457.9 Ų57.950%0.50335%0.35SS..PPolyproline II helixtrans-77.6145.7178.2-68.6-46.8000111.2K634 D635 T637 I641K634-N639 CarbonylContact C-O 3.48Å; K634-N639 VanDerWaalsContact CA-O 3.23Å; K634-N639 WeakPolarHBondContact CA-O 3.32Å; D635-N639 PolarHBondContact N-O 2.71Å; D635-N639 PolarHBondContact OD1-N 3.34Å; T637-N639 PolarHBondContact OG1-ND2 2.85Å; N639-I641 PolarHBondContact O-N 3.31Å
640P90.8Very high88.8Confident96 Ų9659.6 Ų59.662%0.62336%0.358SS*.BIsolated β-bridgetrans-67.7131.6179.726.4-31.8000111.7F633F633-P640 CarbonylContact O-C 3.56Å; F633-P640 WeakPolarHBondContact O-CA 3.09Å
641I92.8Very high88.8Confident11 Ų1163 Ų636%0.05638%0.379CS..PPolyproline II helixtrans-83.7123.1179.9-64.5175.4000109.3A553 E554 R557 F633 D635 N639A553-I641 HydrophobicContact CB-CD1 3.47Å; A553-I641 VanDerWaalsContact CB-CD1 3.47Å; A553-I641 HydrophobicContact CB-CG2 4.33Å; E554-I641 HydrophobicContact CB-CG2 4.21Å; E554-I641 HydrophobicContact CG-CG2 3.35Å; R557-I641 WeakPolarHBondContact CD-O 3.34Å; R557-I641 PolarHBondContact NE-O 3.19Å; R557-I641 PolarHBondContact NH1-O 2.89Å; F633-I641 PolarHBondContact O-N 2.9Å; D635-I641 HydrophobicContact CB-CD1 4.35Å; D635-I641 HydrophobicContact CB-CG1 4.11Å; N639-I641 PolarHBondContact O-N 3.31Å
642P93.3Very high88.8Confident80 Ų8066.1 Ų66.152%0.51940%0.397SS..PPolyproline II helixtrans-69.2151.2-178.229.7-34.9000112.4E554E554-P642 WeakPolarHBondContact CG-O 3.5Å
643P95.4Very high88.5Confident42 Ų4270.5 Ų70.527%0.27342%0.424SS..PPolyproline II helixtrans-75.3162169.236-37.3000110.7R557 E561R557-P643 HydrophobicContact CG-CB 4.34Å; E561-P643 WeakPolarHBondContact OE2-CB 3.13Å; E561-P643 VanDerWaalsContact OE2-CG 3.26Å; E561-P643 WeakPolarHBondContact OE2-CG 3.35Å
644W97.2Very high88.1Confident24 Ų2475.3 Ų75.39%0.09145%0.453CS..PPolyproline II helixtrans-67.9152166.6-57.9-32.6000111.1L506 W541 F550 E554 G555 T558 V646L506-W644 HydrophobicContact CD2-CH2 4.14Å; L506-W644 HydrophobicContact CD2-CZ3 4.43Å; W541-W644 HydrophobicContact CB-CH2 4.38Å; W541-W644 HydrophobicContact CB-CZ3 3.93Å; F550-W644 HydrophobicContact CB-CZ2 3.97Å; F550-W644 AromaticContact CD2-CH2 3.63Å; F550-W644 HydrophobicContact CD2-CH2 3.63Å; F550-W644 AromaticContact CD2-CZ2 3.42Å; F550-W644 HydrophobicContact CD2-CZ2 3.42Å; F550-W644 VanDerWaalsContact CD2-CZ2 3.42Å; F550-W644 AromaticContact CE2-CH2 3.75Å; F550-W644 HydrophobicContact CE2-CH2 3.75Å; F550-W644 HydrophobicContact CE2-CZ2 4.02Å; F550-W644 HydrophobicContact CG-CH2 4.06Å; F550-W644 AromaticContact CG-CZ2 3.77Å; F550-W644 HydrophobicContact CG-CZ2 3.77Å; F550-W644 HydrophobicContact CZ-CH2 4.26Å; E554-W644 PolarHBondContact OE2-NE1 3.02Å; G555-W644 VanDerWaalsContact CA-CZ2 3.42Å; T558-W644 HydrophobicContact CG2-CB 4.05Å; T558-W644 HydrophobicContact CG2-CE3 4.17Å; T558-W644 PolarHBondContact OG1-N 3.43Å; W644-V646 HydrophobicContact CB-CG2 4.48Å; W644-V646 PolarHBondContact O-N 2.75Å
645K93.9Very high88.1Confident194 Ų19475.5 Ų75.584%0.84346%0.463SS*.  trans-80.499.8173.6-65.2-177.5-178.5179.40108.9
646V91.9Very high88.3Confident34 Ų3477 Ų7721%0.20648%0.476CS..  trans-103.1128.8175.7-179.90000109Y539 Q543 T558 L562 W644Y539-V646 HydrophobicContact CD1-CG1 4.25Å; Y539-V646 HydrophobicContact CE1-CG1 3.52Å; Q543-V646 HydrophobicContact CB-CG1 3.93Å; Q543-V646 HydrophobicContact CG-CG1 4.41Å; T558-V646 HydrophobicContact CG2-CG2 3.46Å; T558-V646 VanDerWaalsContact CG2-CG2 3.46Å; L562-V646 HydrophobicContact CD1-CG1 4.3Å; L562-V646 HydrophobicContact CD2-CB 4.34Å; L562-V646 HydrophobicContact CD2-CG1 4Å; W644-V646 HydrophobicContact CB-CG2 4.48Å; W644-V646 PolarHBondContact O-N 2.75Å
647P71.8Confident89Confident144 Ų14478.7 Ų78.794%0.93547%0.465SS*.  trans-65.40-179.3-21.233.5000115.7Y539Y539-P647 PolarHBondContact OH-O 3.29Å

Retrieved 647 of 647 residues in 450.9 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).