A0A3Q0KMG5_SCHMA Loading...

Protein-tyrosine-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KMG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 863 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low76Confident177 Ų17762.2 Ų62.287%0.87233%0.331SS*.  0-29.20-148.7170.994.500113.3Y3 N4 D753M1-Y3 PolarHBondContact O-N 3.11Å; M1-N4 PolarHBondContact O-N 2.98Å; M1-D753 VanDerWaalsContact C-OD2 3.23Å; M1-D753 WeakPolarHBondContact CA-OD2 3.2Å; M1-D753 PolarHBondContact N-OD1 3.43Å; M1-D753 PolarHBondContact N-OD2 3.23Å
2V64.8Low76.7Confident47 Ų4759.6 Ų59.629%0.28532%0.316SS..G310 helixtrans-63.3-36.5-176.9-178.20000112.7N4 T5 S6 D753V2-N4 PolarHBondContact O-N 3.06Å; V2-N4 VanDerWaalsContact O-N 3.13Å; V2-T5 CarbonylContact O-C 3.49Å; V2-T5 WeakPolarHBondContact O-CA 3.18Å; V2-T5 PolarHBondContact O-N 3.4Å; V2-T5 PolarHBondContact O-OG1 3.26Å; V2-S6 PolarHBondContact O-N 3.42Å; V2-S6 VanDerWaalsContact O-O 3.09Å; V2-D753 PolarHBondContact N-OD2 2.95Å
3Y72.6Confident77.3Confident48 Ų4857.3 Ų57.319%0.18830%0.304CS..G310 helixtrans-55.4-35.8178.1178.7-94.5000112.9M1 T5 H7 A11 N13 D753 D755M1-Y3 PolarHBondContact O-N 3.11Å; Y3-T5 PolarHBondContact O-N 3.07Å; Y3-H7 HydrophobicContact CD2-CB 3.47Å; Y3-H7 VanDerWaalsContact CD2-CB 3.47Å; Y3-H7 AromaticContact CD2-CG 3.68Å; Y3-H7 AromaticContact CD2-ND1 3.91Å; Y3-H7 HydrophobicContact CE2-CB 3.74Å; Y3-H7 AromaticContact CE2-CD2 3.78Å; Y3-H7 AromaticContact CE2-CG 3.57Å; Y3-H7 AromaticContact CE2-ND1 3.92Å; Y3-H7 HydrophobicContact CG-CB 4.3Å; Y3-H7 PolarHBondContact O-ND1 3.15Å; Y3-A11 PolarHBondContact OH-O 2.83Å; Y3-N13 WeakPolarHBondContact CB-ND2 3.3Å; Y3-N13 HydrophobicContact CD1-CB 3.82Å; Y3-N13 HydrophobicContact CD2-CB 3.74Å; Y3-N13 HydrophobicContact CE1-CB 3.93Å; Y3-N13 HydrophobicContact CE2-CB 3.83Å; Y3-N13 HydrophobicContact CG-CB 3.72Å; Y3-D753 PolarHBondContact N-OD2 3.35Å; Y3-D755 VanDerWaalsContact CD2-OD1 3.25Å; Y3-D755 WeakPolarHBondContact CD2-OD1 3.42Å; Y3-D755 WeakPolarHBondContact CD2-OD2 3.39Å
4N69.2Low77.8Confident98 Ų9853.4 Ų53.452%0.52428%0.284SS..G310 helixtrans-78.92.3178.4-71.2-7000113.8M1 V2 K109M1-N4 PolarHBondContact O-N 2.98Å; V2-N4 PolarHBondContact O-N 3.06Å; V2-N4 VanDerWaalsContact O-N 3.13Å; N4-K109 PolarHBondContact O-NZ 3.35Å
5T77.2Confident77.5Confident54 Ų5449.9 Ų49.933%0.33127%0.266SS..THydrogen-bonded Turntrans-117-34169.251.90000112.3V2 Y3 N106 K109V2-T5 CarbonylContact O-C 3.49Å; V2-T5 WeakPolarHBondContact O-CA 3.18Å; V2-T5 PolarHBondContact O-N 3.4Å; V2-T5 PolarHBondContact O-OG1 3.26Å; Y3-T5 PolarHBondContact O-N 3.07Å; T5-N106 PolarHBondContact O-N 3.22Å; T5-K109 HydrophobicContact CG2-CD 3.88Å
6S82.8Confident77.2Confident18 Ų1848.2 Ų48.213%0.12626%0.263CS..EExtended strand (participates in β ladder)trans-163.1131.7-175.152.50000112.4V2 W104V2-S6 PolarHBondContact O-N 3.42Å; V2-S6 VanDerWaalsContact O-O 3.09Å; S6-W104 VanDerWaalsContact CA-O 3.24Å; S6-W104 WeakPolarHBondContact CA-O 3.44Å
7H86.1Confident76.9Confident26 Ų2648.4 Ų48.412%0.1226%0.264CS..EExtended strand (participates in β ladder)trans-156.7164.3176.456.6-91.4000111.6Y3 F92 C103 W104Y3-H7 HydrophobicContact CD2-CB 3.47Å; Y3-H7 VanDerWaalsContact CD2-CB 3.47Å; Y3-H7 AromaticContact CD2-CG 3.68Å; Y3-H7 AromaticContact CD2-ND1 3.91Å; Y3-H7 HydrophobicContact CE2-CB 3.74Å; Y3-H7 AromaticContact CE2-CD2 3.78Å; Y3-H7 AromaticContact CE2-CG 3.57Å; Y3-H7 AromaticContact CE2-ND1 3.92Å; Y3-H7 HydrophobicContact CG-CB 4.3Å; Y3-H7 PolarHBondContact O-ND1 3.15Å; H7-F92 VanDerWaalsContact C-CE2 3.45Å; H7-C103 CarbonylContact O-C 3.29Å; H7-C103 WeakPolarHBondContact O-CA 3.38Å; H7-W104 AromaticContact CE1-CD2 3.74Å; H7-W104 AromaticContact CE1-CE3 3.23Å; H7-W104 AromaticContact CE1-CZ3 3.79Å; H7-W104 PolarHBondContact N-O 2.88Å; H7-W104 AromaticContact ND1-CE3 3.41Å; H7-W104 AromaticContact ND1-CZ3 3.93Å; H7-W104 PolarHBondContact O-N 3.07Å
8I88.1Confident76.7Confident6 Ų653.7 Ų53.73%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-68.3136173.7-55.4-179000108.7T10 A11 Y55 L88 F92 F95 V757I8-T10 PolarHBondContact O-N 3.19Å; I8-A11 HydrophobicContact CB-CB 4.27Å; I8-A11 WeakPolarHBondContact O-CB 3.25Å; I8-A11 PolarHBondContact O-N 2.67Å; I8-Y55 HydrophobicContact CB-CE1 4.05Å; I8-Y55 HydrophobicContact CD1-CD1 3.83Å; I8-Y55 HydrophobicContact CD1-CE1 3.56Å; I8-Y55 HydrophobicContact CD1-CE2 4.45Å; I8-Y55 HydrophobicContact CD1-CG 4.37Å; I8-Y55 HydrophobicContact CG1-CE1 3.8Å; I8-Y55 HydrophobicContact CG1-CE2 4.36Å; I8-Y55 PolarHBondContact N-OH 2.85Å; I8-Y55 VanDerWaalsContact N-OH 3.13Å; I8-L88 HydrophobicContact CD1-CD2 3.56Å; I8-F92 HydrophobicContact CG1-CD2 3.9Å; I8-F92 HydrophobicContact CG1-CE2 4.27Å; I8-F95 HydrophobicContact CB-CE1 4.35Å; I8-F95 HydrophobicContact CD1-CB 4.04Å; I8-F95 HydrophobicContact CD1-CD1 3.73Å; I8-F95 HydrophobicContact CD1-CD2 3.68Å; I8-F95 HydrophobicContact CD1-CE1 4.05Å; I8-F95 HydrophobicContact CD1-CE2 4Å; I8-F95 HydrophobicContact CD1-CG 3.54Å; I8-F95 HydrophobicContact CD1-CZ 4.18Å; I8-F95 HydrophobicContact CG1-CD1 3.73Å; I8-F95 HydrophobicContact CG1-CE1 3.92Å; I8-F95 HydrophobicContact CG1-CG 4.08Å; I8-F95 HydrophobicContact CG1-CZ 4.42Å; I8-F95 HydrophobicContact CG2-CD1 4.38Å; I8-F95 HydrophobicContact CG2-CE1 3.69Å; I8-F95 HydrophobicContact CG2-CE2 4.31Å; I8-F95 HydrophobicContact CG2-CZ 3.66Å; I8-V757 HydrophobicContact CB-CG2 4.28Å; I8-V757 HydrophobicContact CD1-CG2 4.29Å; I8-V757 HydrophobicContact CG2-CG2 4.22Å
9H80.9Confident76.5Confident93 Ų9353.6 Ų53.643%0.43129%0.287SS..THydrogen-bonded Turntrans-53.9138.9177.3-87.9-61.1000111.8A11 L102H9-A11 PolarHBondContact O-N 3.21Å; H9-L102 PolarHBondContact N-O 3.42Å
10T81.1Confident76.7Confident112 Ų11251.1 Ų51.169%0.68727%0.274SS*.THydrogen-bonded Turntrans67.1-0.4-173750000116.8I8I8-T10 PolarHBondContact O-N 3.19Å
11A85.5Confident76.9Confident5 Ų550.4 Ų50.44%0.04127%0.269CS..  trans-64.1152.8175.300000112.7Y3 I8 H9 Y55 D755 L756 V757Y3-A11 PolarHBondContact OH-O 2.83Å; I8-A11 HydrophobicContact CB-CB 4.27Å; I8-A11 WeakPolarHBondContact O-CB 3.25Å; I8-A11 PolarHBondContact O-N 2.67Å; H9-A11 PolarHBondContact O-N 3.21Å; A11-Y55 HydrophobicContact CB-CE1 3.79Å; A11-Y55 VanDerWaalsContact CB-OH 3.22Å; A11-Y55 WeakPolarHBondContact CB-OH 3.37Å; A11-D755 HydrophobicContact CB-CB 4.27Å; A11-L756 CarbonylContact C-O 3.55Å; A11-L756 VanDerWaalsContact CA-O 3.26Å; A11-L756 WeakPolarHBondContact CA-O 3.3Å; A11-V757 HydrophobicContact CB-CG2 4.04Å
12I83.5Confident78.4Confident31 Ų3150.5 Ų50.516%0.15926%0.26CS..EExtended strand (participates in β ladder)trans-123115.7-179.5-59.6-179.1000109.6V14 L38 T39 D755 L756 F758I12-V14 HydrophobicContact CG2-CG1 4.45Å; I12-V14 PolarHBondContact O-N 3.21Å; I12-L38 HydrophobicContact CD1-CB 4.29Å; I12-L38 HydrophobicContact CG2-CB 4.07Å; I12-L38 HydrophobicContact CG2-CD1 4.08Å; I12-L38 HydrophobicContact CG2-CD2 4.3Å; I12-L38 HydrophobicContact CG2-CG 4.39Å; I12-T39 HydrophobicContact CD1-CG2 3.68Å; I12-D755 CarbonylContact O-C 3.54Å; I12-D755 WeakPolarHBondContact O-CA 3.42Å; I12-L756 PolarHBondContact N-O 2.72Å; I12-L756 PolarHBondContact O-N 2.86Å; I12-F758 HydrophobicContact CD1-CD2 4.33Å; I12-F758 HydrophobicContact CD1-CE2 4.14Å
13N85.4Confident79.3Confident30 Ų3051 Ų5116%0.1626%0.258CS..EExtended strand (participates in β ladder)trans-68.3120.6174.5-173.1-35.5000111.7Y3 G15 D755Y3-N13 WeakPolarHBondContact CB-ND2 3.3Å; Y3-N13 HydrophobicContact CD1-CB 3.82Å; Y3-N13 HydrophobicContact CD2-CB 3.74Å; Y3-N13 HydrophobicContact CE1-CB 3.93Å; Y3-N13 HydrophobicContact CE2-CB 3.83Å; Y3-N13 HydrophobicContact CG-CB 3.72Å; N13-G15 WeakPolarHBondContact OD1-CA 3.02Å; N13-G15 PolarHBondContact OD1-N 3.05Å; N13-D755 VanDerWaalsContact CA-OD1 3.27Å; N13-D755 WeakPolarHBondContact CA-OD1 3.47Å; N13-D755 WeakPolarHBondContact CB-OD1 3.16Å
14V83.5Confident79.9Confident3 Ų348.7 Ų48.72%0.01825%0.249CC..  trans-116.38.9173.3-62.80000112.4I12 F20 L35 L38 F70 L74 I754 L756I12-V14 HydrophobicContact CG2-CG1 4.45Å; I12-V14 PolarHBondContact O-N 3.21Å; V14-F20 WeakPolarHBondContact O-CE1 3.42Å; V14-L35 HydrophobicContact CG1-CD2 4.42Å; V14-L38 HydrophobicContact CG1-CD1 4.2Å; V14-F70 WeakPolarHBondContact O-CE1 3.38Å; V14-F70 VanDerWaalsContact O-CZ 3.31Å; V14-F70 WeakPolarHBondContact O-CZ 3.19Å; V14-L74 HydrophobicContact CG2-CD2 3.65Å; V14-I754 HydrophobicContact CG2-CB 4.45Å; V14-I754 HydrophobicContact CG2-CG2 4.3Å; V14-I754 WeakPolarHBondContact CG2-O 3.2Å; V14-I754 PolarHBondContact N-O 3.01Å; V14-L756 HydrophobicContact CG1-CD1 3.67Å; V14-L756 HydrophobicContact CG1-CG 4.09Å; V14-L756 HydrophobicContact CG2-CD1 4.1Å; V14-L756 HydrophobicContact CG2-CD2 4.35Å; V14-L756 HydrophobicContact CG2-CG 3.86Å
15G73.9Confident80.4Confident1 Ų147 Ų471%0.0124%0.244CC..  trans-60.1-4417400000113N13 Q21 I754N13-G15 WeakPolarHBondContact OD1-CA 3.02Å; N13-G15 PolarHBondContact OD1-N 3.05Å; G15-Q21 WeakPolarHBondContact O-CG 3.2Å; G15-Q21 PolarHBondContact O-NE2 3.12Å; G15-I754 PolarHBondContact N-O 3.5Å; G15-I754 VanDerWaalsContact N-O 3.17Å
16G71.8Confident80.7Confident22 Ų2250.1 Ų50.123%0.22726%0.255CS..  trans59.3-165.1173.800000115.7
17N73.5Confident80.7Confident52 Ų5255.1 Ų55.128%0.27828%0.281SS..  trans-93167.1175.584.525.4000111.7A19 F20 Q21 E126N17-A19 PolarHBondContact O-N 3.29Å; N17-A19 VanDerWaalsContact O-N 3.16Å; N17-A19 VanDerWaalsContact OD1-CA 3.29Å; N17-A19 WeakPolarHBondContact OD1-CA 3.4Å; N17-A19 VanDerWaalsContact OD1-CB 3.27Å; N17-A19 WeakPolarHBondContact OD1-CB 3.37Å; N17-A19 PolarHBondContact OD1-N 3.22Å; N17-F20 WeakPolarHBondContact O-CB 3.49Å; N17-F20 PolarHBondContact O-N 3.49Å; N17-F20 VanDerWaalsContact O-N 3.14Å; N17-F20 PolarHBondContact OD1-N 3.03Å; N17-Q21 WeakPolarHBondContact O-CG 3.49Å; N17-Q21 PolarHBondContact O-N 2.99Å; N17-E126 VanDerWaalsContact ND2-CD 3.29Å; N17-E126 PolarHBondContact ND2-OE1 2.8Å
18R72.6Confident80.6Confident143 Ų14358.4 Ų58.454%0.5430%0.296SS..Hα-helixtrans-61.8-23.1-179.1-66.2-177.1-176.6-171-4.1114.4R22R18-R22 WeakPolarHBondContact O-CD 3.13Å; R18-R22 WeakPolarHBondContact O-CG 3.48Å; R18-R22 PolarHBondContact O-N 3.44Å
19A72.2Confident80.4Confident52 Ų5258.3 Ų58.343%0.4330%0.296SS..Hα-helixtrans-79.4-40.1174.700000111.6N17 R22 K23N17-A19 PolarHBondContact O-N 3.29Å; N17-A19 VanDerWaalsContact O-N 3.16Å; N17-A19 VanDerWaalsContact OD1-CA 3.29Å; N17-A19 WeakPolarHBondContact OD1-CA 3.4Å; N17-A19 VanDerWaalsContact OD1-CB 3.27Å; N17-A19 WeakPolarHBondContact OD1-CB 3.37Å; N17-A19 PolarHBondContact OD1-N 3.22Å; A19-R22 PolarHBondContact O-N 3.12Å; A19-K23 WeakPolarHBondContact O-CG 3.26Å; A19-K23 PolarHBondContact O-N 3.01Å
20F81.4Confident80.6Confident4 Ų455.1 Ų55.12%0.01828%0.283CS..Hα-helixtrans-57.1-51.9168.6166.2-97.6000110.9V14 N17 R22 K23 F24 V29 L34 F70 L129V14-F20 WeakPolarHBondContact O-CE1 3.42Å; N17-F20 WeakPolarHBondContact O-CB 3.49Å; N17-F20 PolarHBondContact O-N 3.49Å; N17-F20 VanDerWaalsContact O-N 3.14Å; N17-F20 PolarHBondContact OD1-N 3.03Å; F20-R22 VanDerWaalsContact C-N 3.26Å; F20-R22 PolarHBondContact O-N 2.85Å; F20-K23 PolarHBondContact O-N 3.18Å; F20-K23 VanDerWaalsContact O-N 3.12Å; F20-F24 HydrophobicContact CZ-CB 4.46Å; F20-F24 HydrophobicContact CZ-CD2 4.03Å; F20-F24 HydrophobicContact CZ-CG 4.49Å; F20-F24 VanDerWaalsContact O-CB 3.32Å; F20-F24 WeakPolarHBondContact O-CB 3.39Å; F20-F24 PolarHBondContact O-N 3.03Å; F20-V29 HydrophobicContact CE2-CG1 4.17Å; F20-V29 HydrophobicContact CE2-CG2 4.41Å; F20-L34 HydrophobicContact CE2-CD2 3.84Å; F20-L34 HydrophobicContact CZ-CD2 4.04Å; F20-F70 HydrophobicContact CE1-CE2 4.1Å; F20-F70 AromaticContact CE1-CZ 3.71Å; F20-F70 HydrophobicContact CE1-CZ 3.71Å; F20-L129 HydrophobicContact CB-CD2 4.07Å; F20-L129 HydrophobicContact CD2-CD1 3.66Å; F20-L129 HydrophobicContact CD2-CD2 3.68Å; F20-L129 HydrophobicContact CD2-CG 4.19Å; F20-L129 HydrophobicContact CE2-CD1 3.94Å; F20-L129 HydrophobicContact CG-CD2 4.36Å
21Q81.7Confident80.7Confident36 Ų3649.9 Ų49.917%0.16825%0.251CS..Hα-helixtrans-56.6-39.9178.4-67.6176.4-6.300111.9G15 N17 F24 S25 F70G15-Q21 WeakPolarHBondContact O-CG 3.2Å; G15-Q21 PolarHBondContact O-NE2 3.12Å; N17-Q21 WeakPolarHBondContact O-CG 3.49Å; N17-Q21 PolarHBondContact O-N 2.99Å; Q21-F24 PolarHBondContact O-N 3.16Å; Q21-S25 WeakPolarHBondContact O-CB 3.15Å; Q21-S25 PolarHBondContact O-N 3.29Å; Q21-S25 PolarHBondContact O-OG 3.14Å; Q21-F70 HydrophobicContact CB-CD2 4.12Å; Q21-F70 HydrophobicContact CB-CE2 4.47Å; Q21-F70 HydrophobicContact CG-CD1 4.21Å; Q21-F70 HydrophobicContact CG-CD2 3.92Å; Q21-F70 HydrophobicContact CG-CE1 4.44Å; Q21-F70 HydrophobicContact CG-CE2 4.11Å; Q21-F70 HydrophobicContact CG-CG 4.01Å; Q21-F70 HydrophobicContact CG-CZ 4.41Å
22R79.2Confident80.6Confident180 Ų18052 Ų5268%0.67926%0.261SS*.Hα-helixtrans-64.9-48.6173.9-76.3168.3178.4-176.6-1.2113.1R18 A19 F20 F24 S25 Q26R18-R22 WeakPolarHBondContact O-CD 3.13Å; R18-R22 WeakPolarHBondContact O-CG 3.48Å; R18-R22 PolarHBondContact O-N 3.44Å; A19-R22 PolarHBondContact O-N 3.12Å; F20-R22 VanDerWaalsContact C-N 3.26Å; F20-R22 PolarHBondContact O-N 2.85Å; R22-F24 VanDerWaalsContact C-N 3.25Å; R22-F24 PolarHBondContact O-N 2.88Å; R22-S25 PolarHBondContact O-N 3.46Å; R22-Q26 WeakPolarHBondContact O-CB 3.32Å; R22-Q26 VanDerWaalsContact O-CG 3.23Å; R22-Q26 WeakPolarHBondContact O-CG 3.44Å; R22-Q26 PolarHBondContact O-N 3.47Å; R22-Q26 VanDerWaalsContact O-N 3.09Å
23K82.6Confident80.6Confident56 Ų5652.8 Ų52.824%0.24327%0.266CS..Hα-helixtrans-58.1-41.2175.3-69.9180-179.7175.90110.5A19 F20 Q26 N27 Q28 V29 L129 D130 L133A19-K23 WeakPolarHBondContact O-CG 3.26Å; A19-K23 PolarHBondContact O-N 3.01Å; F20-K23 PolarHBondContact O-N 3.18Å; F20-K23 VanDerWaalsContact O-N 3.12Å; K23-Q26 CarbonylContact O-C 3.58Å; K23-Q26 PolarHBondContact O-N 3.02Å; K23-N27 PolarHBondContact O-N 2.92Å; K23-Q28 HydrophobicContact CB-CB 4.48Å; K23-Q28 WeakPolarHBondContact O-CB 3.47Å; K23-Q28 PolarHBondContact O-N 3.19Å; K23-V29 HydrophobicContact CB-CG2 3.89Å; K23-L129 HydrophobicContact CD-CD2 4.3Å; K23-D130 IonicContact NZ-OD1 3.67Å; K23-D130 PolarHBondContact NZ-OD1 2.69Å; K23-L133 HydrophobicContact CD-CD1 3.56Å
24F85Confident80.7Confident1 Ų151.4 Ų51.40%0.00426%0.259CS..Hα-helixtrans-65.9-50.1-179.9-172.2-87.8000112.7F20 Q21 R22 Q26 N27 V29 L31 F70 T73 L74 Q77F20-F24 HydrophobicContact CZ-CB 4.46Å; F20-F24 HydrophobicContact CZ-CD2 4.03Å; F20-F24 HydrophobicContact CZ-CG 4.49Å; F20-F24 VanDerWaalsContact O-CB 3.32Å; F20-F24 WeakPolarHBondContact O-CB 3.39Å; F20-F24 PolarHBondContact O-N 3.03Å; Q21-F24 PolarHBondContact O-N 3.16Å; R22-F24 VanDerWaalsContact C-N 3.25Å; R22-F24 PolarHBondContact O-N 2.88Å; F24-Q26 PolarHBondContact O-N 3.44Å; F24-N27 WeakPolarHBondContact O-CA 3.23Å; F24-N27 PolarHBondContact O-N 3.45Å; F24-V29 HydrophobicContact CB-CG2 4.14Å; F24-V29 HydrophobicContact CD2-CB 4Å; F24-V29 HydrophobicContact CD2-CG1 4.16Å; F24-V29 HydrophobicContact CD2-CG2 4.39Å; F24-L31 HydrophobicContact CE2-CB 4.47Å; F24-L31 HydrophobicContact CE2-CD1 4.08Å; F24-L31 HydrophobicContact CE2-CD2 4.41Å; F24-L31 HydrophobicContact CZ-CD2 4.31Å; F24-F70 HydrophobicContact CB-CE2 4.07Å; F24-F70 HydrophobicContact CD1-CD2 4.02Å; F24-F70 AromaticContact CD1-CE2 3.43Å; F24-F70 HydrophobicContact CD1-CE2 3.43Å; F24-F70 VanDerWaalsContact CD1-CE2 3.43Å; F24-F70 HydrophobicContact CD1-CZ 4.4Å; F24-F70 AromaticContact CE1-CE2 3.98Å; F24-F70 HydrophobicContact CE1-CE2 3.98Å; F24-F70 AromaticContact CG-CE2 3.76Å; F24-F70 HydrophobicContact CG-CE2 3.76Å; F24-T73 HydrophobicContact CD1-CG2 4.18Å; F24-T73 HydrophobicContact CE1-CG2 4.02Å; F24-L74 HydrophobicContact CE1-CB 4.12Å; F24-L74 HydrophobicContact CE1-CD1 4.27Å; F24-L74 HydrophobicContact CE2-CD1 4.18Å; F24-L74 HydrophobicContact CZ-CB 4.24Å; F24-L74 HydrophobicContact CZ-CD1 3.56Å; F24-Q77 HydrophobicContact CE1-CG 4.41Å; F24-Q77 VanDerWaalsContact CE2-OE1 3.28Å; F24-Q77 HydrophobicContact CZ-CB 4.18Å; F24-Q77 HydrophobicContact CZ-CG 4.32Å; F24-Q77 PolarHBondContact O-NE2 3.36Å
25S80.4Confident80.7Confident61 Ų6151.3 Ų51.343%0.42726%0.258SS..Hα-helixtrans-67-12.5174.6-63.10000113.9Q21 R22 N27Q21-S25 WeakPolarHBondContact O-CB 3.15Å; Q21-S25 PolarHBondContact O-N 3.29Å; Q21-S25 PolarHBondContact O-OG 3.14Å; R22-S25 PolarHBondContact O-N 3.46Å; S25-N27 VanDerWaalsContact C-N 3.34Å
26Q83.2Confident81.1Confident121 Ų12151.8 Ų51.857%0.56526%0.261SS*.THydrogen-bonded Turntrans-92.79.7169.5-70.2173.7-1.700112.8R22 K23 F24 Q28R22-Q26 WeakPolarHBondContact O-CB 3.32Å; R22-Q26 VanDerWaalsContact O-CG 3.23Å; R22-Q26 WeakPolarHBondContact O-CG 3.44Å; R22-Q26 PolarHBondContact O-N 3.47Å; R22-Q26 VanDerWaalsContact O-N 3.09Å; K23-Q26 CarbonylContact O-C 3.58Å; K23-Q26 PolarHBondContact O-N 3.02Å; F24-Q26 PolarHBondContact O-N 3.44Å; Q26-Q28 HydrophobicContact CB-CG 4.1Å; Q26-Q28 PolarHBondContact O-N 2.85Å; Q26-Q28 VanDerWaalsContact O-N 3.11Å
27N83Confident81.6Confident123 Ų12353.8 Ų53.866%0.65826%0.263SS*.THydrogen-bonded Turntrans55.619.7-176.3-61.7-8.6000114.6K23 F24 S25 V29 Q77K23-N27 PolarHBondContact O-N 2.92Å; F24-N27 WeakPolarHBondContact O-CA 3.23Å; F24-N27 PolarHBondContact O-N 3.45Å; S25-N27 VanDerWaalsContact C-N 3.34Å; N27-V29 VanDerWaalsContact C-N 3.29Å; N27-V29 PolarHBondContact O-N 2.91Å; N27-Q77 PolarHBondContact OD1-NE2 2.9Å
28Q83.8Confident81.9Confident94 Ų9452.6 Ų52.644%0.43926%0.257SS..  trans-78.8-13.5-179.1-66.7167.49.500113.1K23 Q26 P30 L133K23-Q28 HydrophobicContact CB-CB 4.48Å; K23-Q28 WeakPolarHBondContact O-CB 3.47Å; K23-Q28 PolarHBondContact O-N 3.19Å; Q26-Q28 HydrophobicContact CB-CG 4.1Å; Q26-Q28 PolarHBondContact O-N 2.85Å; Q26-Q28 VanDerWaalsContact O-N 3.11Å; Q28-P30 WeakPolarHBondContact O-CD 3.47Å; Q28-L133 HydrophobicContact CB-CD2 4.44Å; Q28-L133 WeakPolarHBondContact O-CD2 3.45Å
29V83.7Confident82.2Confident5 Ų547 Ų473%0.0324%0.239CC..SBendtrans-95.9115.4-174.8-178.90000109.5F20 K23 F24 N27 L31 L34 L129F20-V29 HydrophobicContact CE2-CG1 4.17Å; F20-V29 HydrophobicContact CE2-CG2 4.41Å; K23-V29 HydrophobicContact CB-CG2 3.89Å; F24-V29 HydrophobicContact CB-CG2 4.14Å; F24-V29 HydrophobicContact CD2-CB 4Å; F24-V29 HydrophobicContact CD2-CG1 4.16Å; F24-V29 HydrophobicContact CD2-CG2 4.39Å; N27-V29 VanDerWaalsContact C-N 3.29Å; N27-V29 PolarHBondContact O-N 2.91Å; V29-L31 VanDerWaalsContact C-N 3.32Å; V29-L31 PolarHBondContact O-N 3.08Å; V29-L34 HydrophobicContact CG1-CB 4.38Å; V29-L34 HydrophobicContact CG1-CD2 3.66Å; V29-L129 HydrophobicContact CG1-CD1 3.96Å; V29-L129 HydrophobicContact CG2-CD1 3.78Å
30P85.2Confident82.4Confident25 Ų2549.5 Ų49.516%0.16225%0.245CC..  trans-7289.8173.629.8-33.5000109.2Q28 D32 L33 L34 C132Q28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-D32 VanDerWaalsContact C-N 3.27Å; P30-D32 PolarHBondContact O-N 3.34Å; P30-L33 HydrophobicContact CB-CB 4.06Å; P30-L33 HydrophobicContact CG-CB 4.09Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; P30-L33 PolarHBondContact O-N 3.3Å; P30-L33 VanDerWaalsContact O-N 3.16Å; P30-L34 WeakPolarHBondContact O-CB 3.31Å; P30-L34 PolarHBondContact O-N 2.88Å; P30-C132 HydrophobicContact CG-CB 3.92Å
31L84.5Confident82.2Confident2 Ų252.8 Ų52.81%0.0126%0.259CS..Hα-helixtrans-54.2-39.1-174.3174.858.7000113.3F24 V29 L34 L35 L74 Q77 L78F24-L31 HydrophobicContact CE2-CB 4.47Å; F24-L31 HydrophobicContact CE2-CD1 4.08Å; F24-L31 HydrophobicContact CE2-CD2 4.41Å; F24-L31 HydrophobicContact CZ-CD2 4.31Å; V29-L31 VanDerWaalsContact C-N 3.32Å; V29-L31 PolarHBondContact O-N 3.08Å; L31-L34 PolarHBondContact O-N 3.1Å; L31-L35 HydrophobicContact CD1-CD1 3.92Å; L31-L35 HydrophobicContact CD1-CD2 4.22Å; L31-L35 HydrophobicContact CD1-CG 3.81Å; L31-L35 HydrophobicContact CG-CD1 4.27Å; L31-L35 HydrophobicContact CG-CG 4.46Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 VanDerWaalsContact O-CG 3.24Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.99Å; L31-L74 HydrophobicContact CD1-CD1 4.29Å; L31-Q77 HydrophobicContact CD2-CB 3.78Å; L31-L78 HydrophobicContact CD1-CD2 4.35Å; L31-L78 HydrophobicContact CD2-CD2 3.77Å; L31-L78 HydrophobicContact CD2-CG 3.98Å; L31-L78 HydrophobicContact CG-CD2 4.29Å
32D82.6Confident81.7Confident49 Ų4960.6 Ų60.626%0.26230%0.296SS..Hα-helixtrans-58.4-56.2172.748.6-70.1000112.3P30 L34 L35 C36 K81P30-D32 VanDerWaalsContact C-N 3.27Å; P30-D32 PolarHBondContact O-N 3.34Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.53Å; D32-L35 PolarHBondContact O-N 3.39Å; D32-C36 PolarHBondContact O-N 2.98Å; D32-C36 PolarHBondContact O-SG 2.66Å; D32-K81 IonicContact OD1-NZ 3.65Å; D32-K81 PolarHBondContact OD1-NZ 2.88Å
33L84.4Confident81.4Confident49 Ų4955.1 Ų55.126%0.25728%0.28SS..Hα-helixtrans-61.5-36.9176.2-175.465.1000112.9P30 K37 C132 Y135P30-L33 HydrophobicContact CB-CB 4.06Å; P30-L33 HydrophobicContact CG-CB 4.09Å; P30-L33 HydrophobicContact CG-CD2 4.12Å; P30-L33 PolarHBondContact O-N 3.3Å; P30-L33 VanDerWaalsContact O-N 3.16Å; L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 2.98Å; L33-K37 VanDerWaalsContact O-N 3.13Å; L33-C132 HydrophobicContact CD2-CB 4.12Å; L33-Y135 HydrophobicContact CD2-CG 4.45Å
34L85.6Confident80.9Confident1 Ų155.2 Ų55.21%0.00529%0.286CS..Hα-helixtrans-61.7-51174.3173.362.4000111F20 V29 P30 L31 D32 K37 L38 L125 I128F20-L34 HydrophobicContact CE2-CD2 3.84Å; F20-L34 HydrophobicContact CZ-CD2 4.04Å; V29-L34 HydrophobicContact CG1-CB 4.38Å; V29-L34 HydrophobicContact CG1-CD2 3.66Å; P30-L34 WeakPolarHBondContact O-CB 3.31Å; P30-L34 PolarHBondContact O-N 2.88Å; L31-L34 PolarHBondContact O-N 3.1Å; D32-L34 VanDerWaalsContact C-N 3.31Å; D32-L34 PolarHBondContact O-N 2.53Å; L34-K37 PolarHBondContact O-N 2.85Å; L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CG 4.17Å; L34-L38 HydrophobicContact CG-CD1 3.84Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.47Å; L34-L125 HydrophobicContact CD1-CD1 4.03Å; L34-I128 HydrophobicContact CD1-CG2 3.74Å
35L84.8Confident80.5Confident0 Ų058.8 Ų58.80%031%0.308CS..Hα-helixtrans-65.6-44.4-179.8-67.4-177.7000111.3V14 L31 D32 K37 L38 T39 L47 I52 L78 F82 L756 F758V14-L35 HydrophobicContact CG1-CD2 4.42Å; L31-L35 HydrophobicContact CD1-CD1 3.92Å; L31-L35 HydrophobicContact CD1-CD2 4.22Å; L31-L35 HydrophobicContact CD1-CG 3.81Å; L31-L35 HydrophobicContact CG-CD1 4.27Å; L31-L35 HydrophobicContact CG-CG 4.46Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 VanDerWaalsContact O-CG 3.24Å; L31-L35 WeakPolarHBondContact O-CG 3.39Å; L31-L35 PolarHBondContact O-N 2.99Å; D32-L35 PolarHBondContact O-N 3.39Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 3.48Å; L35-L38 HydrophobicContact CD2-CD1 4.37Å; L35-L38 PolarHBondContact O-N 3.09Å; L35-T39 PolarHBondContact O-N 3.5Å; L35-T39 PolarHBondContact O-OG1 2.88Å; L35-L47 HydrophobicContact CB-CD2 3.63Å; L35-I52 HydrophobicContact CD1-CD1 4.08Å; L35-L78 HydrophobicContact CD1-CD2 3.89Å; L35-F82 HydrophobicContact CD1-CE2 3.92Å; L35-F82 HydrophobicContact CD1-CZ 3.91Å; L35-L756 HydrophobicContact CD1-CD1 4.38Å; L35-L756 HydrophobicContact CD2-CD1 3.37Å; L35-F758 HydrophobicContact CD1-CZ 4.21Å; L35-F758 HydrophobicContact CD2-CZ 4.18Å
36C82.4Confident80.2Confident11 Ų1160.4 Ų60.47%0.07431%0.309CS..Hα-helixtrans-54.2-40.9174.7-70.30000112.6D32 N40 F41 L47D32-C36 PolarHBondContact O-N 2.98Å; D32-C36 PolarHBondContact O-SG 2.66Å; C36-N40 CarbonylContact O-C 3.49Å; C36-N40 VanDerWaalsContact O-CA 3.26Å; C36-N40 WeakPolarHBondContact O-CA 3.48Å; C36-N40 PolarHBondContact O-N 3.01Å; C36-F41 WeakPolarHBondContact CB-O 3.47Å; C36-F41 PolarHBondContact O-N 3.48Å; C36-L47 VanDerWaalsContact SG-CD2 3.59Å
37K81.4Confident80Confident64 Ų6454.7 Ų54.728%0.27828%0.282SS..Hα-helixtrans-75.1-23.7176.5-71.5-176.5-167.4-60.40114.1L33 L34 L35 I128 T131L33-K37 WeakPolarHBondContact O-CG 3.39Å; L33-K37 PolarHBondContact O-N 2.98Å; L33-K37 VanDerWaalsContact O-N 3.13Å; L34-K37 PolarHBondContact O-N 2.85Å; L35-K37 VanDerWaalsContact C-N 3.25Å; L35-K37 PolarHBondContact O-N 3.48Å; K37-I128 HydrophobicContact CB-CD1 4.47Å; K37-I128 HydrophobicContact CB-CG1 4.35Å; K37-I128 HydrophobicContact CB-CG2 3.5Å; K37-I128 VanDerWaalsContact CB-CG2 3.5Å; K37-I128 HydrophobicContact CD-CG2 3.98Å; K37-I128 HydrophobicContact CG-CG2 4.39Å; K37-T131 HydrophobicContact CD-CG2 4.5Å
38L81.1Confident79.7Confident28 Ų2852.9 Ų52.915%0.14727%0.27CS..Hα-helixtrans-82.8-36.1175.2-72.6168.5000112.5I12 V14 L34 L35 L125 I128I12-L38 HydrophobicContact CD1-CB 4.29Å; I12-L38 HydrophobicContact CG2-CB 4.07Å; I12-L38 HydrophobicContact CG2-CD1 4.08Å; I12-L38 HydrophobicContact CG2-CD2 4.3Å; I12-L38 HydrophobicContact CG2-CG 4.39Å; V14-L38 HydrophobicContact CG1-CD1 4.2Å; L34-L38 HydrophobicContact CD1-CD1 3.77Å; L34-L38 HydrophobicContact CD1-CG 4.17Å; L34-L38 HydrophobicContact CG-CD1 3.84Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.31Å; L34-L38 PolarHBondContact O-N 3.47Å; L35-L38 HydrophobicContact CD2-CD1 4.37Å; L35-L38 PolarHBondContact O-N 3.09Å; L38-L125 HydrophobicContact CD1-CD1 3.84Å; L38-L125 HydrophobicContact CD2-CD1 3.91Å; L38-L125 HydrophobicContact CG-CD1 4.42Å; L38-I128 HydrophobicContact CD2-CD1 3.84Å; L38-I128 HydrophobicContact CG-CD1 4.44Å
39T77.9Confident79.2Confident26 Ų2655.5 Ų55.516%0.1628%0.28CS..Hα-helixtrans-90.5-8.6178.459.20000113.5I12 L35 F41 L47 F758I12-T39 HydrophobicContact CD1-CG2 3.68Å; L35-T39 PolarHBondContact O-N 3.5Å; L35-T39 PolarHBondContact O-OG1 2.88Å; T39-F41 VanDerWaalsContact C-N 3.31Å; T39-F41 PolarHBondContact O-N 2.97Å; T39-F41 VanDerWaalsContact OG1-CD2 3.25Å; T39-F41 WeakPolarHBondContact OG1-CD2 3.46Å; T39-L47 HydrophobicContact CG2-CD1 4.26Å; T39-F758 HydrophobicContact CG2-CD1 4.38Å; T39-F758 HydrophobicContact CG2-CD2 3.76Å; T39-F758 HydrophobicContact CG2-CE1 4.21Å; T39-F758 HydrophobicContact CG2-CE2 3.57Å; T39-F758 HydrophobicContact CG2-CG 4.18Å; T39-F758 HydrophobicContact CG2-CZ 3.81Å
40N77.5Confident78.8Confident104 Ų10456.7 Ų56.756%0.55629%0.286SS*.THydrogen-bonded Turntrans60.929.2-171.9-54.5-74.1000114.7C36 E42C36-N40 CarbonylContact O-C 3.49Å; C36-N40 VanDerWaalsContact O-CA 3.26Å; C36-N40 WeakPolarHBondContact O-CA 3.48Å; C36-N40 PolarHBondContact O-N 3.01Å; N40-E42 PolarHBondContact O-N 3.13Å
41F76.9Confident78.6Confident72 Ų7256.6 Ų56.632%0.31629%0.285SS..  trans-78.1120.1172.3-85.2-112.1000110.6C36 T39 N43 E46 L47 L50C36-F41 WeakPolarHBondContact CB-O 3.47Å; C36-F41 PolarHBondContact O-N 3.48Å; T39-F41 VanDerWaalsContact C-N 3.31Å; T39-F41 PolarHBondContact O-N 2.97Å; T39-F41 VanDerWaalsContact OG1-CD2 3.25Å; T39-F41 WeakPolarHBondContact OG1-CD2 3.46Å; F41-N43 VanDerWaalsContact C-N 3.32Å; F41-E46 HydrophobicContact CD1-CB 4.17Å; F41-E46 HydrophobicContact CE1-CB 4.38Å; F41-L47 HydrophobicContact CB-CB 4.48Å; F41-L47 HydrophobicContact CD1-CB 4.36Å; F41-L47 HydrophobicContact CD2-CD1 4.29Å; F41-L47 HydrophobicContact CG-CB 4.47Å; F41-L47 HydrophobicContact CG-CD1 4.25Å; F41-L50 HydrophobicContact CE1-CD1 3.83Å; F41-L50 HydrophobicContact CE2-CD1 4.26Å; F41-L50 HydrophobicContact CZ-CD1 3.52Å
42E71.1Confident78.6Confident200 Ų20056.5 Ų56.594%0.93529%0.285SS*.SBendtrans-71.4-27.9177.2-59.7-167.2153.200112.5N40N40-E42 PolarHBondContact O-N 3.13Å
43N71.5Confident78.9Confident65 Ų6554.3 Ų54.335%0.34827%0.273SS..  trans-116.3112.6-176.5-171.8-10.8000111.8F41 T45 E46F41-N43 VanDerWaalsContact C-N 3.32Å; N43-T45 PolarHBondContact O-N 2.84Å; N43-T45 WeakPolarHBondContact OD1-CB 3.3Å; N43-T45 PolarHBondContact OD1-N 3.39Å; N43-T45 PolarHBondContact OD1-OG1 2.87Å; N43-E46 HydrophobicContact CB-CG 4.11Å; N43-E46 PolarHBondContact O-N 3.2Å; N43-E46 VanDerWaalsContact O-N 3.08Å
44P72.9Confident79.2Confident59 Ų5952 Ų5238%0.38326%0.261SS..Hα-helixtrans-62.8-26.1178.725.9-34.1000113E46 L47 Q48P44-E46 PolarHBondContact O-N 2.89Å; P44-L47 PolarHBondContact O-N 2.85Å; P44-Q48 WeakPolarHBondContact O-CG 3.42Å; P44-Q48 PolarHBondContact O-N 2.85Å
45T77Confident79.4Confident75 Ų7552 Ų5246%0.4626%0.261SS..Hα-helixtrans-67.3-17.1177.2-27.10000112.9N43 K49N43-T45 PolarHBondContact O-N 2.84Å; N43-T45 WeakPolarHBondContact OD1-CB 3.3Å; N43-T45 PolarHBondContact OD1-N 3.39Å; N43-T45 PolarHBondContact OD1-OG1 2.87Å; T45-K49 VanDerWaalsContact O-CE 3.25Å; T45-K49 WeakPolarHBondContact O-CE 3.22Å; T45-K49 WeakPolarHBondContact O-CG 3.16Å
46E73.6Confident79.5Confident95 Ų9552.1 Ų52.144%0.44426%0.262SS..Hα-helixtrans-91.6-40.6174.7-62.5-168.714200111.5F41 N43 P44 Q48 K49F41-E46 HydrophobicContact CD1-CB 4.17Å; F41-E46 HydrophobicContact CE1-CB 4.38Å; N43-E46 HydrophobicContact CB-CG 4.11Å; N43-E46 PolarHBondContact O-N 3.2Å; N43-E46 VanDerWaalsContact O-N 3.08Å; P44-E46 PolarHBondContact O-N 2.89Å; E46-Q48 PolarHBondContact O-N 3.16Å; E46-K49 WeakPolarHBondContact O-CB 3.41Å; E46-K49 PolarHBondContact O-N 3.18Å
47L78.3Confident79.5Confident1 Ų154.3 Ų54.31%0.00527%0.271CS..Hα-helixtrans-57.2-37.3171.3-170.171.3000111.6L35 C36 T39 F41 P44 K49 L50 F82 F758L35-L47 HydrophobicContact CB-CD2 3.63Å; C36-L47 VanDerWaalsContact SG-CD2 3.59Å; T39-L47 HydrophobicContact CG2-CD1 4.26Å; F41-L47 HydrophobicContact CB-CB 4.48Å; F41-L47 HydrophobicContact CD1-CB 4.36Å; F41-L47 HydrophobicContact CD2-CD1 4.29Å; F41-L47 HydrophobicContact CG-CB 4.47Å; F41-L47 HydrophobicContact CG-CD1 4.25Å; P44-L47 PolarHBondContact O-N 2.85Å; L47-K49 PolarHBondContact O-N 3.49Å; L47-L50 HydrophobicContact CD1-CD1 4.44Å; L47-L50 PolarHBondContact O-N 3.48Å; L47-F82 HydrophobicContact CD2-CE1 4.16Å; L47-F82 HydrophobicContact CD2-CZ 4.14Å; L47-F82 HydrophobicContact CG-CE1 3.98Å; L47-F82 HydrophobicContact CG-CZ 4.46Å; L47-F758 HydrophobicContact CD1-CD1 4.05Å; L47-F758 HydrophobicContact CD1-CE1 3.78Å
48Q76.6Confident79.7Confident85 Ų8553.2 Ų53.240%0.39727%0.266SS..THydrogen-bonded Turntrans-62.6-15.8174.5-78.9176.6-7.600115.1P44 E46 F82 P83P44-Q48 WeakPolarHBondContact O-CG 3.42Å; P44-Q48 PolarHBondContact O-N 2.85Å; E46-Q48 PolarHBondContact O-N 3.16Å; Q48-F82 HydrophobicContact CG-CD1 4.35Å; Q48-F82 HydrophobicContact CG-CE1 4.15Å; Q48-P83 WeakPolarHBondContact O-CD 3.15Å; Q48-P83 WeakPolarHBondContact O-CG 3.42Å
49K74.8Confident79.7Confident149 Ų14952.5 Ų52.565%0.64826%0.262SS*.THydrogen-bonded Turntrans-90.1-15.4177.3-59167.8-172.5164.10112.8T45 E46 L47T45-K49 VanDerWaalsContact O-CE 3.25Å; T45-K49 WeakPolarHBondContact O-CE 3.22Å; T45-K49 WeakPolarHBondContact O-CG 3.16Å; E46-K49 WeakPolarHBondContact O-CB 3.41Å; E46-K49 PolarHBondContact O-N 3.18Å; L47-K49 PolarHBondContact O-N 3.49Å
50L74.1Confident79.8Confident30 Ų3054.5 Ų54.516%0.15727%0.272CS..SBendtrans-85.1142.4-174.3-66.3178000111.9F41 L47 I52F41-L50 HydrophobicContact CE1-CD1 3.83Å; F41-L50 HydrophobicContact CE2-CD1 4.26Å; F41-L50 HydrophobicContact CZ-CD1 3.52Å; L47-L50 HydrophobicContact CD1-CD1 4.44Å; L47-L50 PolarHBondContact O-N 3.48Å; L50-I52 PolarHBondContact O-N 2.86Å
51P81.2Confident80.1Confident23 Ų2350.4 Ų50.415%0.14925%0.252CS..PPolyproline II helixtrans-70.2122.7170.330.1-33.3000109.8V84 F86 F759P51-V84 HydrophobicContact CB-CB 4.47Å; P51-V84 HydrophobicContact CB-CG1 3.75Å; P51-F86 HydrophobicContact CB-CE2 4.35Å; P51-F759 HydrophobicContact CG-CB 4.26Å
52I86Confident80.3Confident0 Ų047.2 Ų47.20%024%0.238CC..EExtended strand (participates in β ladder)trans-93.1121.1174.2-58.5-173000108.8L35 L50 V54 L78 F82 V84 V85 F86 L756 F758L35-I52 HydrophobicContact CD1-CD1 4.08Å; L50-I52 PolarHBondContact O-N 2.86Å; I52-V54 HydrophobicContact CG2-CG2 4.2Å; I52-L78 HydrophobicContact CD1-CD2 3.9Å; I52-L78 HydrophobicContact CG2-CD1 4.29Å; I52-L78 HydrophobicContact CG2-CD2 4.39Å; I52-F82 HydrophobicContact CD1-CB 4.09Å; I52-F82 HydrophobicContact CD1-CD1 3.53Å; I52-F82 HydrophobicContact CD1-CD2 3.68Å; I52-F82 HydrophobicContact CD1-CE1 3.83Å; I52-F82 HydrophobicContact CD1-CE2 3.95Å; I52-F82 HydrophobicContact CD1-CG 3.46Å; I52-F82 VanDerWaalsContact CD1-CG 3.46Å; I52-F82 HydrophobicContact CD1-CZ 4.02Å; I52-F82 HydrophobicContact CG1-CD1 4.37Å; I52-F82 HydrophobicContact CG1-CG 4.43Å; I52-V84 PolarHBondContact N-O 3.12Å; I52-V85 WeakPolarHBondContact O-CA 3.4Å; I52-F86 PolarHBondContact O-N 3.34Å; I52-L756 HydrophobicContact CG2-CD2 4.02Å; I52-F758 HydrophobicContact CD1-CE1 3.85Å; I52-F758 HydrophobicContact CD1-CZ 4.45Å; I52-F758 HydrophobicContact CG1-CD1 4.19Å; I52-F758 HydrophobicContact CG1-CE1 3.74Å
53V88.2Confident80.9Confident4 Ų444.3 Ų44.32%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-103.7123.9170.6175.40000108.7F86 L88 F559 L756 V757 F759V53-F86 WeakPolarHBondContact CA-O 3.32Å; V53-F86 HydrophobicContact CG2-CB 4.27Å; V53-F86 HydrophobicContact CG2-CD2 4.47Å; V53-L88 HydrophobicContact CG1-CB 3.92Å; V53-F559 HydrophobicContact CB-CE1 4.46Å; V53-F559 HydrophobicContact CG1-CD1 4.15Å; V53-F559 HydrophobicContact CG1-CE1 3.8Å; V53-F559 HydrophobicContact CG2-CD1 4.11Å; V53-F559 HydrophobicContact CG2-CE1 3.76Å; V53-L756 CarbonylContact O-C 3.5Å; V53-L756 WeakPolarHBondContact O-CA 3.37Å; V53-V757 HydrophobicContact CB-CB 4.29Å; V53-V757 PolarHBondContact N-O 2.89Å; V53-V757 PolarHBondContact O-N 2.96Å; V53-F759 HydrophobicContact CB-CD2 4.5Å; V53-F759 HydrophobicContact CB-CE2 4.24Å; V53-F759 HydrophobicContact CG2-CD2 3.81Å; V53-F759 HydrophobicContact CG2-CE2 3.79Å
54V90.8Very high81.3Confident0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-105.6140176.5-1670000109.2I52 L71 L74 L75 L78 V85 F86 L88 I754 L756I52-V54 HydrophobicContact CG2-CG2 4.2Å; V54-L71 HydrophobicContact CG1-CD1 3.66Å; V54-L74 HydrophobicContact CG1-CD2 4.13Å; V54-L75 HydrophobicContact CB-CD2 3.81Å; V54-L75 HydrophobicContact CG1-CD2 4.12Å; V54-L75 HydrophobicContact CG2-CD2 3.6Å; V54-L78 HydrophobicContact CG2-CD1 3.5Å; V54-L78 VanDerWaalsContact CG2-CD1 3.5Å; V54-V85 HydrophobicContact CG2-CG1 4.23Å; V54-F86 PolarHBondContact N-O 3.1Å; V54-L88 PolarHBondContact O-N 2.87Å; V54-I754 HydrophobicContact CG1-CG2 3.77Å; V54-L756 HydrophobicContact CB-CD2 4.08Å; V54-L756 HydrophobicContact CG1-CD2 3.92Å; V54-L756 HydrophobicContact CG2-CD2 3.63Å
55Y89.2Confident81.8Confident1 Ų143.2 Ų43.20%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-141.9152.9171.473.4-95.3000112.6I8 A11 L88 F92 D755 V757I8-Y55 HydrophobicContact CB-CE1 4.05Å; I8-Y55 HydrophobicContact CD1-CD1 3.83Å; I8-Y55 HydrophobicContact CD1-CE1 3.56Å; I8-Y55 HydrophobicContact CD1-CE2 4.45Å; I8-Y55 HydrophobicContact CD1-CG 4.37Å; I8-Y55 HydrophobicContact CG1-CE1 3.8Å; I8-Y55 HydrophobicContact CG1-CE2 4.36Å; I8-Y55 PolarHBondContact N-OH 2.85Å; I8-Y55 VanDerWaalsContact N-OH 3.13Å; A11-Y55 HydrophobicContact CB-CE1 3.79Å; A11-Y55 VanDerWaalsContact CB-OH 3.22Å; A11-Y55 WeakPolarHBondContact CB-OH 3.37Å; Y55-L88 HydrophobicContact CD1-CD2 4.26Å; Y55-L88 HydrophobicContact CG-CD2 4.14Å; Y55-F92 HydrophobicContact CD2-CB 3.98Å; Y55-F92 HydrophobicContact CE2-CB 3.84Å; Y55-F92 HydrophobicContact CE2-CD2 4.25Å; Y55-F92 HydrophobicContact CE2-CG 4.43Å; Y55-D755 HydrophobicContact CD1-CB 4Å; Y55-D755 HydrophobicContact CD2-CB 4.17Å; Y55-D755 HydrophobicContact CE1-CB 3.46Å; Y55-D755 VanDerWaalsContact CE1-CB 3.46Å; Y55-D755 HydrophobicContact CE2-CB 3.63Å; Y55-D755 WeakPolarHBondContact CE2-OD2 3.42Å; Y55-D755 HydrophobicContact CG-CB 4.33Å; Y55-D755 PolarHBondContact N-O 3.35Å; Y55-D755 PolarHBondContact O-N 2.84Å; Y55-D755 WeakPolarHBondContact OH-CB 3.4Å; Y55-D755 PolarHBondContact OH-OD2 2.75Å; Y55-V757 HydrophobicContact CD1-CG2 3.96Å; Y55-V757 HydrophobicContact CE1-CG2 3.62Å
56D87.6Confident81.9Confident3 Ų345.7 Ų45.72%0.01623%0.228CC..  trans-115.8-170.7158.389.8-17.1000109.2F58 I59 L71 G91 F92 R752D56-F58 VanDerWaalsContact C-N 3.31Å; D56-F58 PolarHBondContact O-N 2.86Å; D56-F58 PolarHBondContact OD1-N 3.11Å; D56-I59 WeakPolarHBondContact OD1-CB 3.42Å; D56-I59 WeakPolarHBondContact OD1-CG1 3.25Å; D56-I59 PolarHBondContact OD1-N 3.49Å; D56-I59 WeakPolarHBondContact OD2-CD1 3.27Å; D56-L71 HydrophobicContact CB-CD2 4.12Å; D56-G91 CarbonylContact O-C 3.55Å; D56-G91 WeakPolarHBondContact O-CA 3.43Å; D56-F92 PolarHBondContact O-N 2.82Å; D56-R752 VanDerWaalsContact OD2-CD 3.24Å; D56-R752 WeakPolarHBondContact OD2-CD 3.25Å; D56-R752 IonicContact OD2-CZ 3.99Å; D56-R752 IonicContact OD2-NE 2.89Å; D56-R752 IonicContact OD2-NH1 3.53Å; D56-R752 PolarHBondContact OD2-NH1 3.33Å
57E82.6Confident82.2Confident57 Ų5746 Ų4627%0.26624%0.238SC..SBendtrans-58.5-33.5-176.2-173.2173.9-146.400114.5F92 L93E57-F92 PolarHBondContact O-N 2.85Å; E57-L93 HydrophobicContact CG-CD1 4.15Å; E57-L93 HydrophobicContact CG-CG 4.33Å; E57-L93 WeakPolarHBondContact O-CG 2.99Å; E57-L93 PolarHBondContact O-N 3.08Å; E57-L93 VanDerWaalsContact O-N 3.08Å
58F84.4Confident82.2Confident41 Ų4148.6 Ų48.618%0.1827%0.266CS..SBendtrans-155.50.5-166.961.1-99.4000118.5D56 L93 Y280 F350 R752D56-F58 VanDerWaalsContact C-N 3.31Å; D56-F58 PolarHBondContact O-N 2.86Å; D56-F58 PolarHBondContact OD1-N 3.11Å; F58-L93 HydrophobicContact CB-CD1 4.42Å; F58-Y280 HydrophobicContact CD2-CD1 4.02Å; F58-Y280 HydrophobicContact CD2-CE1 4.44Å; F58-Y280 HydrophobicContact CD2-CG 4.47Å; F58-Y280 HydrophobicContact CE2-CD1 4.27Å; F58-Y280 HydrophobicContact CE2-CG 4.28Å; F58-F350 HydrophobicContact CE1-CD2 4.42Å; F58-R752 VanDerWaalsContact CZ-NH1 3.34Å
59I81.7Confident82.4Confident12 Ų1246 Ų466%0.06226%0.256CS..  trans-70135.1-174.5-71178.2000112.8D56 S61 L65 L71 L87 G90 G91D56-I59 WeakPolarHBondContact OD1-CB 3.42Å; D56-I59 WeakPolarHBondContact OD1-CG1 3.25Å; D56-I59 PolarHBondContact OD1-N 3.49Å; D56-I59 WeakPolarHBondContact OD2-CD1 3.27Å; I59-S61 VanDerWaalsContact CG2-O 3.27Å; I59-S61 WeakPolarHBondContact CG2-O 3.36Å; I59-L65 HydrophobicContact CD1-CD2 3.52Å; I59-L71 HydrophobicContact CD1-CD2 3.85Å; I59-L87 HydrophobicContact CG2-CD2 3.94Å; I59-G90 PolarHBondContact O-N 2.96Å; I59-G91 PolarHBondContact O-N 2.95Å
60D80.2Confident83Confident69 Ų6940.1 Ų40.137%0.36923%0.231SC..  trans-109-6.4-177.6-162.247.7000114.7K89 G90D60-K89 WeakPolarHBondContact O-CG 3.36Å; D60-K89 PolarHBondContact O-NZ 3.27Å; D60-K89 WeakPolarHBondContact OD1-CB 3.27Å; D60-G90 PolarHBondContact OD1-N 2.94Å; D60-G90 VanDerWaalsContact OD1-N 3.15Å
61S82.5Confident83.6Confident18 Ų1839 Ų3913%0.12623%0.225CC..  trans-163.3151.3172.8-177.10000112.2I59 L63 N64 E560I59-S61 VanDerWaalsContact CG2-O 3.27Å; I59-S61 WeakPolarHBondContact CG2-O 3.36Å; S61-L63 PolarHBondContact O-N 2.92Å; S61-L63 PolarHBondContact OG-N 2.9Å; S61-N64 PolarHBondContact O-N 3.03Å; S61-N64 VanDerWaalsContact O-N 3.16Å; S61-E560 WeakPolarHBondContact CA-OE2 3.37Å; S61-E560 WeakPolarHBondContact CB-OE2 3.37Å; S61-E560 VanDerWaalsContact OG-CD 3.31Å; S61-E560 PolarHBondContact OG-OE1 3.17Å; S61-E560 PolarHBondContact OG-OE2 2.98Å
62I82.9Confident83.9Confident4 Ų440.1 Ų40.12%0.02123%0.228CC..G310 helixtrans-59.7-31.4173.7-61166.7000110.6N64 L65 L87 E560 C562 V565 M566I62-N64 PolarHBondContact O-N 3.26Å; I62-N64 VanDerWaalsContact O-N 3.17Å; I62-L65 HydrophobicContact CB-CD1 4.32Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 VanDerWaalsContact O-CB 3.26Å; I62-L65 WeakPolarHBondContact O-CB 3.48Å; I62-L65 WeakPolarHBondContact O-CG 3.5Å; I62-L65 PolarHBondContact O-N 3.31Å; I62-L87 HydrophobicContact CB-CD2 4.47Å; I62-L87 HydrophobicContact CG1-CB 4.2Å; I62-L87 HydrophobicContact CG1-CD2 3.64Å; I62-E560 WeakPolarHBondContact CB-OE1 3.23Å; I62-E560 HydrophobicContact CD1-CB 4.3Å; I62-E560 HydrophobicContact CD1-CG 4Å; I62-E560 WeakPolarHBondContact CD1-OE1 3.2Å; I62-E560 HydrophobicContact CG1-CG 4.35Å; I62-E560 WeakPolarHBondContact CG1-OE1 3.4Å; I62-E560 PolarHBondContact N-OE1 2.95Å; I62-C562 HydrophobicContact CD1-CB 4.13Å; I62-V565 HydrophobicContact CB-CG1 4.14Å; I62-V565 HydrophobicContact CD1-CB 4.12Å; I62-V565 HydrophobicContact CD1-CG2 4.21Å; I62-V565 HydrophobicContact CG2-CB 4.26Å; I62-V565 HydrophobicContact CG2-CG1 3.82Å; I62-M566 HydrophobicContact CG2-CE 3.42Å; I62-M566 VanDerWaalsContact CG2-CE 3.42Å; I62-M566 HydrophobicContact CG2-SD 4.1Å
63L82.9Confident83.9Confident139 Ų13941.2 Ų41.273%0.72824%0.235SC*.G310 helixtrans-62.6-21.3178.3-60.3-179.9000113.6S61 L65 V565S61-L63 PolarHBondContact O-N 2.92Å; S61-L63 PolarHBondContact OG-N 2.9Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L63-V565 HydrophobicContact CD2-CG1 3.99Å
64N80.7Confident84Confident90 Ų9041.1 Ų41.148%0.48123%0.234SC..G310 helixtrans-88.42.5177.4-64.8-18000113S61 I62S61-N64 PolarHBondContact O-N 3.03Å; S61-N64 VanDerWaalsContact O-N 3.16Å; I62-N64 PolarHBondContact O-N 3.26Å; I62-N64 VanDerWaalsContact O-N 3.17Å
65L81.8Confident84Confident12 Ų1241.1 Ų41.16%0.06323%0.234CC..SBendtrans-82123.9177-67.1167.9000111.4I59 I62 L63 P67 L71 F72 L75I59-L65 HydrophobicContact CD1-CD2 3.52Å; I62-L65 HydrophobicContact CB-CD1 4.32Å; I62-L65 HydrophobicContact CG2-CD1 4.01Å; I62-L65 VanDerWaalsContact O-CB 3.26Å; I62-L65 WeakPolarHBondContact O-CB 3.48Å; I62-L65 WeakPolarHBondContact O-CG 3.5Å; I62-L65 PolarHBondContact O-N 3.31Å; L63-L65 VanDerWaalsContact C-N 3.33Å; L65-P67 VanDerWaalsContact O-CD 3.3Å; L65-P67 WeakPolarHBondContact O-CD 3.27Å; L65-L71 HydrophobicContact CD2-CB 3.99Å; L65-L71 HydrophobicContact CD2-CD2 3.53Å; L65-L71 HydrophobicContact CD2-CG 3.65Å; L65-F72 HydrophobicContact CB-CB 4.49Å; L65-F72 HydrophobicContact CB-CD2 4.1Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 VanDerWaalsContact CD1-CD1 3.5Å
66I79.7Confident83.9Confident126 Ų12642.8 Ų42.865%0.64624%0.244SC*.PPolyproline II helixtrans-61.8120.9168.4-59.8171.8000108.6G68 C69I66-G68 PolarHBondContact O-N 2.73Å; I66-C69 HydrophobicContact CB-CB 4.31Å; I66-C69 VanDerWaalsContact O-CB 3.28Å; I66-C69 WeakPolarHBondContact O-CB 3.4Å; I66-C69 PolarHBondContact O-N 2.93Å; I66-C69 PolarHBondContact O-SG 3.43Å
67P80.1Confident83.9Confident101 Ų10143.7 Ų43.766%0.65625%0.248SC*.THydrogen-bonded Turntrans-57.3134.4179.1-27.136.4000112.1L65 C69 F72L65-P67 VanDerWaalsContact O-CD 3.3Å; L65-P67 WeakPolarHBondContact O-CD 3.27Å; P67-C69 VanDerWaalsContact C-N 3.28Å; P67-C69 PolarHBondContact O-N 3.37Å; P67-F72 HydrophobicContact CB-CE2 4.21Å; P67-F72 HydrophobicContact CB-CZ 4.28Å; P67-F72 HydrophobicContact CG-CE2 4.41Å
68G77.3Confident84.2Confident57 Ų5741 Ų4159%0.58824%0.236SC*.THydrogen-bonded Turntrans75.95.8-176.400000115.4I66I66-G68 PolarHBondContact O-N 2.73Å
69C82.6Confident84.4Confident30 Ų3040.9 Ų40.920%0.20324%0.238CC..SBendtrans-68.8158.6163.3830000110.7I66 P67 L71 F72 T73I66-C69 HydrophobicContact CB-CB 4.31Å; I66-C69 VanDerWaalsContact O-CB 3.28Å; I66-C69 WeakPolarHBondContact O-CB 3.4Å; I66-C69 PolarHBondContact O-N 2.93Å; I66-C69 PolarHBondContact O-SG 3.43Å; P67-C69 VanDerWaalsContact C-N 3.28Å; P67-C69 PolarHBondContact O-N 3.37Å; C69-L71 VanDerWaalsContact C-N 3.28Å; C69-L71 PolarHBondContact O-N 3.05Å; C69-F72 WeakPolarHBondContact O-CB 3.21Å; C69-F72 PolarHBondContact O-N 3.45Å; C69-F72 PolarHBondContact SG-N 2.86Å; C69-T73 PolarHBondContact O-N 3.34Å; C69-T73 PolarHBondContact O-OG1 3.03Å
70F85.8Confident84.6Confident25 Ų2545.6 Ų45.611%0.1126%0.263CS..Hα-helixtrans-57.5-38.4-174.5176.2-112.2000113.1V14 F20 Q21 F24 T73 L74 I754V14-F70 WeakPolarHBondContact O-CE1 3.38Å; V14-F70 VanDerWaalsContact O-CZ 3.31Å; V14-F70 WeakPolarHBondContact O-CZ 3.19Å; F20-F70 HydrophobicContact CE1-CE2 4.1Å; F20-F70 AromaticContact CE1-CZ 3.71Å; F20-F70 HydrophobicContact CE1-CZ 3.71Å; Q21-F70 HydrophobicContact CB-CD2 4.12Å; Q21-F70 HydrophobicContact CB-CE2 4.47Å; Q21-F70 HydrophobicContact CG-CD1 4.21Å; Q21-F70 HydrophobicContact CG-CD2 3.92Å; Q21-F70 HydrophobicContact CG-CE1 4.44Å; Q21-F70 HydrophobicContact CG-CE2 4.11Å; Q21-F70 HydrophobicContact CG-CG 4.01Å; Q21-F70 HydrophobicContact CG-CZ 4.41Å; F24-F70 HydrophobicContact CB-CE2 4.07Å; F24-F70 HydrophobicContact CD1-CD2 4.02Å; F24-F70 AromaticContact CD1-CE2 3.43Å; F24-F70 HydrophobicContact CD1-CE2 3.43Å; F24-F70 VanDerWaalsContact CD1-CE2 3.43Å; F24-F70 HydrophobicContact CD1-CZ 4.4Å; F24-F70 AromaticContact CE1-CE2 3.98Å; F24-F70 HydrophobicContact CE1-CE2 3.98Å; F24-F70 AromaticContact CG-CE2 3.76Å; F24-F70 HydrophobicContact CG-CE2 3.76Å; F70-T73 PolarHBondContact O-N 3.38Å; F70-L74 WeakPolarHBondContact O-CB 3.45Å; F70-L74 PolarHBondContact O-N 3.3Å; F70-I754 HydrophobicContact CD1-CD1 3.38Å; F70-I754 HydrophobicContact CD1-CG1 4.29Å; F70-I754 HydrophobicContact CE1-CD1 3.7Å; F70-I754 HydrophobicContact CE1-CG1 4.39Å; F70-I754 HydrophobicContact CG-CD1 4.39Å
71L87.4Confident84.8Confident8 Ų846.5 Ų46.54%0.04226%0.264CS..Hα-helixtrans-64.3-44.2174.6-176.746.8000112.6V54 D56 I59 L65 C69 T73 L74 L75 I754V54-L71 HydrophobicContact CG1-CD1 3.66Å; D56-L71 HydrophobicContact CB-CD2 4.12Å; I59-L71 HydrophobicContact CD1-CD2 3.85Å; L65-L71 HydrophobicContact CD2-CB 3.99Å; L65-L71 HydrophobicContact CD2-CD2 3.53Å; L65-L71 HydrophobicContact CD2-CG 3.65Å; C69-L71 VanDerWaalsContact C-N 3.28Å; C69-L71 PolarHBondContact O-N 3.05Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 3.32Å; L71-L75 HydrophobicContact CD1-CD1 3.82Å; L71-L75 HydrophobicContact CD1-CG 3.88Å; L71-L75 HydrophobicContact CG-CD1 3.98Å; L71-L75 HydrophobicContact CG-CG 4.48Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3Å; L71-I754 HydrophobicContact CB-CD1 3.51Å; L71-I754 HydrophobicContact CD1-CD1 3.99Å; L71-I754 HydrophobicContact CD1-CG2 3.89Å; L71-I754 HydrophobicContact CG-CD1 4.18Å
72F86.7Confident84.9Confident45 Ų4546 Ų4620%0.19726%0.259CS..Hα-helixtrans-60.2-44175.5-175.5-77.3000110.9L65 P67 C69 T76 M566L65-F72 HydrophobicContact CB-CB 4.49Å; L65-F72 HydrophobicContact CB-CD2 4.1Å; P67-F72 HydrophobicContact CB-CE2 4.21Å; P67-F72 HydrophobicContact CB-CZ 4.28Å; P67-F72 HydrophobicContact CG-CE2 4.41Å; C69-F72 WeakPolarHBondContact O-CB 3.21Å; C69-F72 PolarHBondContact O-N 3.45Å; C69-F72 PolarHBondContact SG-N 2.86Å; F72-T76 WeakPolarHBondContact O-CB 3.39Å; F72-T76 PolarHBondContact O-N 3.12Å; F72-T76 PolarHBondContact O-OG1 3.48Å; F72-M566 HydrophobicContact CD2-CE 4.14Å; F72-M566 HydrophobicContact CD2-SD 4.18Å; F72-M566 HydrophobicContact CE2-CE 3.5Å; F72-M566 HydrophobicContact CE2-SD 3.9Å; F72-M566 HydrophobicContact CZ-CE 4Å; F72-M566 HydrophobicContact CZ-SD 4.11Å
73T87.1Confident84.9Confident24 Ų2450.1 Ų50.115%0.14729%0.286CS..Hα-helixtrans-63.7-43.2175.8-510000112F24 C69 F70 L71 T76 Q77F24-T73 HydrophobicContact CD1-CG2 4.18Å; F24-T73 HydrophobicContact CE1-CG2 4.02Å; C69-T73 PolarHBondContact O-N 3.34Å; C69-T73 PolarHBondContact O-OG1 3.03Å; F70-T73 PolarHBondContact O-N 3.38Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3Å; T73-T76 PolarHBondContact O-N 2.87Å; T73-Q77 PolarHBondContact O-N 3.45Å
74L89.6Confident84.9Confident1 Ų145.7 Ų45.71%0.00527%0.265CS..Hα-helixtrans-62.3-50.2177.7176.265.8000111.5V14 F24 L31 V54 F70 L71 T76 Q77 L78 I754V14-L74 HydrophobicContact CG2-CD2 3.65Å; F24-L74 HydrophobicContact CE1-CB 4.12Å; F24-L74 HydrophobicContact CE1-CD1 4.27Å; F24-L74 HydrophobicContact CE2-CD1 4.18Å; F24-L74 HydrophobicContact CZ-CB 4.24Å; F24-L74 HydrophobicContact CZ-CD1 3.56Å; L31-L74 HydrophobicContact CD1-CD1 4.29Å; V54-L74 HydrophobicContact CG1-CD2 4.13Å; F70-L74 WeakPolarHBondContact O-CB 3.45Å; F70-L74 PolarHBondContact O-N 3.3Å; L71-L74 PolarHBondContact O-N 3.32Å; L74-T76 VanDerWaalsContact C-N 3.29Å; L74-T76 PolarHBondContact O-N 3.44Å; L74-Q77 PolarHBondContact O-N 2.92Å; L74-L78 HydrophobicContact CD1-CD1 3.97Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.5Å; L74-L78 HydrophobicContact CG-CD1 3.82Å; L74-L78 HydrophobicContact CG-CG 4.35Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 2.8Å; L74-I754 HydrophobicContact CD2-CG2 3.7Å
75L90.2Very high85.2Confident0 Ų041.5 Ų41.50%024%0.243CC..Hα-helixtrans-60.1-39.6177.4-70.6169.7000111.8V54 L65 L71 T79 V85 L87V54-L75 HydrophobicContact CB-CD2 3.81Å; V54-L75 HydrophobicContact CG1-CD2 4.12Å; V54-L75 HydrophobicContact CG2-CD2 3.6Å; L65-L75 HydrophobicContact CD1-CD1 3.5Å; L65-L75 VanDerWaalsContact CD1-CD1 3.5Å; L71-L75 HydrophobicContact CD1-CD1 3.82Å; L71-L75 HydrophobicContact CD1-CG 3.88Å; L71-L75 HydrophobicContact CG-CD1 3.98Å; L71-L75 HydrophobicContact CG-CG 4.48Å; L71-L75 WeakPolarHBondContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3Å; L75-T79 VanDerWaalsContact O-CB 3.28Å; L75-T79 WeakPolarHBondContact O-CB 3.49Å; L75-T79 PolarHBondContact O-N 3Å; L75-T79 PolarHBondContact O-OG1 3.37Å; L75-V85 HydrophobicContact CD2-CG1 4.25Å; L75-L87 HydrophobicContact CD1-CD1 4.5Å
76T87.6Confident85.6Confident36 Ų3642.8 Ų42.822%0.22125%0.248CC..Hα-helixtrans-62-50.2174.2-55.70000111.2F72 T73 L74 L78 T79 L80F72-T76 WeakPolarHBondContact O-CB 3.39Å; F72-T76 PolarHBondContact O-N 3.12Å; F72-T76 PolarHBondContact O-OG1 3.48Å; T73-T76 PolarHBondContact O-N 2.87Å; L74-T76 VanDerWaalsContact C-N 3.29Å; L74-T76 PolarHBondContact O-N 3.44Å; T76-L78 PolarHBondContact O-N 2.97Å; T76-T79 PolarHBondContact O-N 2.95Å; T76-L80 HydrophobicContact CG2-CD1 4.25Å; T76-L80 VanDerWaalsContact O-CG 3.31Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.01Å; T76-L80 VanDerWaalsContact O-N 3.13Å
77Q88.1Confident86Confident22 Ų2236.9 Ų36.910%0.10322%0.218CC..Hα-helixtrans-67-34.9179.7-72.9-172.819.800113.3F24 N27 L31 T73 L74 K81F24-Q77 HydrophobicContact CE1-CG 4.41Å; F24-Q77 VanDerWaalsContact CE2-OE1 3.28Å; F24-Q77 HydrophobicContact CZ-CB 4.18Å; F24-Q77 HydrophobicContact CZ-CG 4.32Å; F24-Q77 PolarHBondContact O-NE2 3.36Å; N27-Q77 PolarHBondContact OD1-NE2 2.9Å; L31-Q77 HydrophobicContact CD2-CB 3.78Å; T73-Q77 PolarHBondContact O-N 3.45Å; L74-Q77 PolarHBondContact O-N 2.92Å; Q77-K81 PolarHBondContact O-N 2.9Å
78L89.2Confident86.4Confident0 Ų032.2 Ų32.20%019%0.187CC..Hα-helixtrans-64.7-49.6173.7-74.4169.8000110.6L31 L35 I52 V54 L74 T76 L80 K81 F82 V85 L756L31-L78 HydrophobicContact CD1-CD2 4.35Å; L31-L78 HydrophobicContact CD2-CD2 3.77Å; L31-L78 HydrophobicContact CD2-CG 3.98Å; L31-L78 HydrophobicContact CG-CD2 4.29Å; L35-L78 HydrophobicContact CD1-CD2 3.89Å; I52-L78 HydrophobicContact CD1-CD2 3.9Å; I52-L78 HydrophobicContact CG2-CD1 4.29Å; I52-L78 HydrophobicContact CG2-CD2 4.39Å; V54-L78 HydrophobicContact CG2-CD1 3.5Å; V54-L78 VanDerWaalsContact CG2-CD1 3.5Å; L74-L78 HydrophobicContact CD1-CD1 3.97Å; L74-L78 HydrophobicContact CD1-CG 4.08Å; L74-L78 HydrophobicContact CD2-CD1 4.5Å; L74-L78 HydrophobicContact CG-CD1 3.82Å; L74-L78 HydrophobicContact CG-CG 4.35Å; L74-L78 WeakPolarHBondContact O-CB 3.25Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.45Å; L74-L78 PolarHBondContact O-N 2.8Å; T76-L78 PolarHBondContact O-N 2.97Å; L78-L80 PolarHBondContact O-N 3.28Å; L78-K81 PolarHBondContact O-N 3.41Å; L78-F82 HydrophobicContact CD2-CD2 3.92Å; L78-F82 HydrophobicContact CD2-CE2 4.06Å; L78-F82 PolarHBondContact O-N 3.33Å; L78-V85 HydrophobicContact CB-CG1 3.97Å; L78-V85 HydrophobicContact CB-CG2 3.96Å; L78-V85 HydrophobicContact CD1-CG1 4.33Å; L78-L756 HydrophobicContact CD1-CD2 4.16Å
79T88.3Confident86.8Confident39 Ų3932 Ų3224%0.23917%0.17CC..Hα-helixtrans-64.1-23.8-178.5-530000112.4L75 T76L75-T79 VanDerWaalsContact O-CB 3.28Å; L75-T79 WeakPolarHBondContact O-CB 3.49Å; L75-T79 PolarHBondContact O-N 3Å; L75-T79 PolarHBondContact O-OG1 3.37Å; T76-T79 PolarHBondContact O-N 2.95Å
80L86.7Confident86.8Confident112 Ų11231.3 Ų31.359%0.58617%0.168SC*.THydrogen-bonded Turntrans-79-14.9172.1-72.3170000114.4T76 L78T76-L80 HydrophobicContact CG2-CD1 4.25Å; T76-L80 VanDerWaalsContact O-CG 3.31Å; T76-L80 WeakPolarHBondContact O-CG 3.43Å; T76-L80 PolarHBondContact O-N 3.01Å; T76-L80 VanDerWaalsContact O-N 3.13Å; L78-L80 PolarHBondContact O-N 3.28Å
81K83.7Confident86.9Confident88 Ų8830.1 Ų30.138%0.38316%0.163SC..THydrogen-bonded Turntrans-121.4-19.1-175.1-73.8-170.6172-175.90115D32 Q77 L78D32-K81 IonicContact OD1-NZ 3.65Å; D32-K81 PolarHBondContact OD1-NZ 2.88Å; Q77-K81 PolarHBondContact O-N 2.9Å; L78-K81 PolarHBondContact O-N 3.41Å
82F85.5Confident86.9Confident6 Ų630 Ų303%0.02616%0.162CC..  trans-129.2130.5-174.9-64.2-85.9000109.6L35 L47 Q48 I52 L78 V84 V85L35-F82 HydrophobicContact CD1-CE2 3.92Å; L35-F82 HydrophobicContact CD1-CZ 3.91Å; L47-F82 HydrophobicContact CD2-CE1 4.16Å; L47-F82 HydrophobicContact CD2-CZ 4.14Å; L47-F82 HydrophobicContact CG-CE1 3.98Å; L47-F82 HydrophobicContact CG-CZ 4.46Å; Q48-F82 HydrophobicContact CG-CD1 4.35Å; Q48-F82 HydrophobicContact CG-CE1 4.15Å; I52-F82 HydrophobicContact CD1-CB 4.09Å; I52-F82 HydrophobicContact CD1-CD1 3.53Å; I52-F82 HydrophobicContact CD1-CD2 3.68Å; I52-F82 HydrophobicContact CD1-CE1 3.83Å; I52-F82 HydrophobicContact CD1-CE2 3.95Å; I52-F82 HydrophobicContact CD1-CG 3.46Å; I52-F82 VanDerWaalsContact CD1-CG 3.46Å; I52-F82 HydrophobicContact CD1-CZ 4.02Å; I52-F82 HydrophobicContact CG1-CD1 4.37Å; I52-F82 HydrophobicContact CG1-CG 4.43Å; L78-F82 HydrophobicContact CD2-CD2 3.92Å; L78-F82 HydrophobicContact CD2-CE2 4.06Å; L78-F82 PolarHBondContact O-N 3.33Å; F82-V84 VanDerWaalsContact C-N 3.28Å; F82-V84 PolarHBondContact O-N 2.95Å; F82-V85 HydrophobicContact CB-CG2 3.81Å
83P81.7Confident86.9Confident91 Ų9131.9 Ų31.959%0.59117%0.174SC*.SBendtrans-72.1-21.5-173.829.2-35.4000113.3Q48Q48-P83 WeakPolarHBondContact O-CD 3.15Å; Q48-P83 WeakPolarHBondContact O-CG 3.42Å
84V82.9Confident86.7Confident47 Ų4731.7 Ų31.729%0.28518%0.177SC..  trans-130.298.6-174.6-176.60000109.3P51 I52 F82 F86P51-V84 HydrophobicContact CB-CB 4.47Å; P51-V84 HydrophobicContact CB-CG1 3.75Å; I52-V84 PolarHBondContact N-O 3.12Å; F82-V84 VanDerWaalsContact C-N 3.28Å; F82-V84 PolarHBondContact O-N 2.95Å; V84-F86 HydrophobicContact CG1-CD2 3.98Å; V84-F86 HydrophobicContact CG1-CE2 3.29Å; V84-F86 HydrophobicContact CG1-CZ 3.86Å
85V88Confident86.6Confident2 Ų231.9 Ų31.91%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-126.9126.6178.6-175.60000109.2I52 V54 L75 L78 F82 C562I52-V85 WeakPolarHBondContact O-CA 3.4Å; V54-V85 HydrophobicContact CG2-CG1 4.23Å; L75-V85 HydrophobicContact CD2-CG1 4.25Å; L78-V85 HydrophobicContact CB-CG1 3.97Å; L78-V85 HydrophobicContact CB-CG2 3.96Å; L78-V85 HydrophobicContact CD1-CG1 4.33Å; F82-V85 HydrophobicContact CB-CG2 3.81Å; V85-C562 HydrophobicContact CB-CB 4.31Å; V85-C562 HydrophobicContact CG1-CB 4.22Å; V85-C562 PolarHBondContact O-N 2.63Å
86F88.6Confident86.5Confident39 Ų3934.3 Ų34.317%0.17119%0.189CC..EExtended strand (participates in β ladder)trans-122143.2-179.6-65.9-70.7000111.3P51 I52 V53 V54 V84 L542 F559 E560 P561P51-F86 HydrophobicContact CB-CE2 4.35Å; I52-F86 PolarHBondContact O-N 3.34Å; V53-F86 WeakPolarHBondContact CA-O 3.32Å; V53-F86 HydrophobicContact CG2-CB 4.27Å; V53-F86 HydrophobicContact CG2-CD2 4.47Å; V54-F86 PolarHBondContact N-O 3.1Å; V84-F86 HydrophobicContact CG1-CD2 3.98Å; V84-F86 HydrophobicContact CG1-CE2 3.29Å; V84-F86 HydrophobicContact CG1-CZ 3.86Å; F86-L542 HydrophobicContact CE2-CD1 4.25Å; F86-L542 HydrophobicContact CZ-CD1 4.04Å; F86-F559 HydrophobicContact CB-CB 4.07Å; F86-F559 HydrophobicContact CB-CD1 4.17Å; F86-F559 HydrophobicContact CB-CG 4.47Å; F86-F559 HydrophobicContact CD1-CB 3.76Å; F86-F559 HydrophobicContact CE1-CB 4.42Å; F86-F559 HydrophobicContact CG-CB 4.01Å; F86-E560 WeakPolarHBondContact CA-O 3.46Å; F86-P561 HydrophobicContact CD1-CB 4.14Å; F86-P561 HydrophobicContact CE1-CB 3.98Å
87L89Confident86.3Confident1 Ų136.9 Ų36.91%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-92.2130.4160.9179.467.1000108.9I59 I62 L75 K89 F559 E560I59-L87 HydrophobicContact CG2-CD2 3.94Å; I62-L87 HydrophobicContact CB-CD2 4.47Å; I62-L87 HydrophobicContact CG1-CB 4.2Å; I62-L87 HydrophobicContact CG1-CD2 3.64Å; L75-L87 HydrophobicContact CD1-CD1 4.5Å; L87-K89 PolarHBondContact O-N 3.06Å; L87-F559 WeakPolarHBondContact O-CA 3.48Å; L87-E560 HydrophobicContact CB-CB 4.32Å; L87-E560 PolarHBondContact N-O 3.38Å; L87-E560 PolarHBondContact O-N 2.94Å
88L88.9Confident86Confident4 Ų440 Ų402%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-75.5115.1172.6-179.959.4000110I8 V53 V54 Y55 G91 F95 L557 F559I8-L88 HydrophobicContact CD1-CD2 3.56Å; V53-L88 HydrophobicContact CG1-CB 3.92Å; V54-L88 PolarHBondContact O-N 2.87Å; Y55-L88 HydrophobicContact CD1-CD2 4.26Å; Y55-L88 HydrophobicContact CG-CD2 4.14Å; L88-G91 PolarHBondContact O-N 3.28Å; L88-F95 HydrophobicContact CD1-CD2 4.39Å; L88-F95 HydrophobicContact CD2-CB 4.07Å; L88-F95 HydrophobicContact CD2-CD2 4.02Å; L88-F95 HydrophobicContact CD2-CG 4.36Å; L88-L557 HydrophobicContact CD1-CD2 4.29Å; L88-F559 HydrophobicContact CD1-CD1 4.21Å; L88-F559 HydrophobicContact CD1-CE1 3.82Å
89K85.9Confident85.7Confident52 Ų5240.9 Ų40.923%0.22623%0.232CC..THydrogen-bonded Turntrans-73.3129.7-179.7-69.4-175.2158.5-79.90111.4D60 L87 G91 R558 E560D60-K89 WeakPolarHBondContact O-CG 3.36Å; D60-K89 PolarHBondContact O-NZ 3.27Å; D60-K89 WeakPolarHBondContact OD1-CB 3.27Å; L87-K89 PolarHBondContact O-N 3.06Å; K89-G91 VanDerWaalsContact C-N 3.35Å; K89-R558 HydrophobicContact CB-CB 3.91Å; K89-R558 VanDerWaalsContact CB-O 3.25Å; K89-R558 WeakPolarHBondContact CB-O 3.38Å; K89-R558 HydrophobicContact CD-CB 3.74Å; K89-R558 HydrophobicContact CG-CB 4.26Å; K89-R558 PolarHBondContact N-O 3.19Å; K89-E560 WeakPolarHBondContact CE-OE2 3.43Å; K89-E560 HydrophobicContact CG-CB 4.3Å; K89-E560 IonicContact NZ-OE2 2.63Å; K89-E560 PolarHBondContact NZ-OE2 2.89Å
90G82.5Confident85.6Confident16 Ų1642.4 Ų42.417%0.16524%0.243CC..THydrogen-bonded Turntrans90.1-1.4-175.200000113.3I59 D60 G94I59-G90 PolarHBondContact O-N 2.96Å; D60-G90 PolarHBondContact OD1-N 2.94Å; D60-G90 VanDerWaalsContact OD1-N 3.15Å; G90-G94 WeakPolarHBondContact O-CA 3.41Å; G90-G94 PolarHBondContact O-N 2.8Å
91G87Confident85.4Confident0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans57.3-155-178.400000113.9D56 I59 L88 K89 F95D56-G91 CarbonylContact O-C 3.55Å; D56-G91 WeakPolarHBondContact O-CA 3.43Å; I59-G91 PolarHBondContact O-N 2.95Å; L88-G91 PolarHBondContact O-N 3.28Å; K89-G91 VanDerWaalsContact C-N 3.35Å; G91-F95 PolarHBondContact O-N 3.02Å
92F88.2Confident85.5Confident6 Ų639.4 Ų39.43%0.02623%0.228CC..Hα-helixtrans-58.4-46.6175.3177.9-111.1000112.2H7 I8 Y55 D56 E57 G94 F95 Q96 C103H7-F92 VanDerWaalsContact C-CE2 3.45Å; I8-F92 HydrophobicContact CG1-CD2 3.9Å; I8-F92 HydrophobicContact CG1-CE2 4.27Å; Y55-F92 HydrophobicContact CD2-CB 3.98Å; Y55-F92 HydrophobicContact CE2-CB 3.84Å; Y55-F92 HydrophobicContact CE2-CD2 4.25Å; Y55-F92 HydrophobicContact CE2-CG 4.43Å; D56-F92 PolarHBondContact O-N 2.82Å; E57-F92 PolarHBondContact O-N 2.85Å; F92-G94 PolarHBondContact O-N 3.24Å; F92-F95 PolarHBondContact O-N 3.11Å; F92-Q96 HydrophobicContact CE1-CB 4.19Å; F92-Q96 HydrophobicContact CE1-CG 4.29Å; F92-Q96 VanDerWaalsContact CE1-OE1 3.27Å; F92-Q96 HydrophobicContact CE2-CB 4.3Å; F92-Q96 HydrophobicContact CZ-CB 3.99Å; F92-Q96 HydrophobicContact CZ-CG 4Å; F92-Q96 WeakPolarHBondContact O-CB 3.48Å; F92-Q96 PolarHBondContact O-N 2.85Å; F92-C103 HydrophobicContact CE2-CB 4.08Å; F92-C103 HydrophobicContact CZ-CB 4.19Å
93L86.1Confident85.6Confident83 Ų8339.6 Ų39.644%0.43523%0.23SC..Hα-helixtrans-64.4-40.3-175.4-66.7174.1000112.3E57 F58 F95 Q96 A97E57-L93 HydrophobicContact CG-CD1 4.15Å; E57-L93 HydrophobicContact CG-CG 4.33Å; E57-L93 WeakPolarHBondContact O-CG 2.99Å; E57-L93 PolarHBondContact O-N 3.08Å; E57-L93 VanDerWaalsContact O-N 3.08Å; F58-L93 HydrophobicContact CB-CD1 4.42Å; L93-F95 VanDerWaalsContact C-N 3.33Å; L93-F95 PolarHBondContact O-N 3.32Å; L93-Q96 PolarHBondContact O-N 3.02Å; L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 2.91Å
94G83.8Confident85.7Confident20 Ų2039.7 Ų39.721%0.20622%0.218CC..Hα-helixtrans-66.8-3217600000113.4G90 F92 Q98G90-G94 WeakPolarHBondContact O-CA 3.41Å; G90-G94 PolarHBondContact O-N 2.8Å; F92-G94 PolarHBondContact O-N 3.24Å; G94-Q98 PolarHBondContact O-NE2 3.11Å
95F86.6Confident85.6Confident6 Ų640.8 Ų40.83%0.02622%0.222CC..Hα-helixtrans-74.1-48.7172.7-176.5-79000111.6I8 L88 G91 F92 L93 A97 Q98 F99 L102 L557I8-F95 HydrophobicContact CB-CE1 4.35Å; I8-F95 HydrophobicContact CD1-CB 4.04Å; I8-F95 HydrophobicContact CD1-CD1 3.73Å; I8-F95 HydrophobicContact CD1-CD2 3.68Å; I8-F95 HydrophobicContact CD1-CE1 4.05Å; I8-F95 HydrophobicContact CD1-CE2 4Å; I8-F95 HydrophobicContact CD1-CG 3.54Å; I8-F95 HydrophobicContact CD1-CZ 4.18Å; I8-F95 HydrophobicContact CG1-CD1 3.73Å; I8-F95 HydrophobicContact CG1-CE1 3.92Å; I8-F95 HydrophobicContact CG1-CG 4.08Å; I8-F95 HydrophobicContact CG1-CZ 4.42Å; I8-F95 HydrophobicContact CG2-CD1 4.38Å; I8-F95 HydrophobicContact CG2-CE1 3.69Å; I8-F95 HydrophobicContact CG2-CE2 4.31Å; I8-F95 HydrophobicContact CG2-CZ 3.66Å; L88-F95 HydrophobicContact CD1-CD2 4.39Å; L88-F95 HydrophobicContact CD2-CB 4.07Å; L88-F95 HydrophobicContact CD2-CD2 4.02Å; L88-F95 HydrophobicContact CD2-CG 4.36Å; G91-F95 PolarHBondContact O-N 3.02Å; F92-F95 PolarHBondContact O-N 3.11Å; L93-F95 VanDerWaalsContact C-N 3.33Å; L93-F95 PolarHBondContact O-N 3.32Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 2.9Å; F95-Q98 PolarHBondContact O-N 2.7Å; F95-F99 HydrophobicContact CD1-CB 4.32Å; F95-F99 HydrophobicContact CE1-CB 3.9Å; F95-F99 HydrophobicContact CE2-CD2 4.44Å; F95-F99 HydrophobicContact CZ-CB 4.14Å; F95-F99 PolarHBondContact O-N 2.78Å; F95-L102 HydrophobicContact CE1-CB 3.75Å; F95-L102 HydrophobicContact CZ-CB 3.85Å; F95-L102 HydrophobicContact CZ-CD1 4.11Å; F95-L557 HydrophobicContact CD2-CD1 4.08Å; F95-L557 HydrophobicContact CD2-CD2 3.51Å; F95-L557 HydrophobicContact CD2-CG 4.47Å; F95-L557 HydrophobicContact CE2-CD1 3.7Å; F95-L557 HydrophobicContact CE2-CD2 3.94Å; F95-L557 HydrophobicContact CE2-CG 4.48Å; F95-L557 HydrophobicContact CG-CD2 4.43Å
96Q87.3Confident85Confident51 Ų5142.3 Ų42.324%0.23823%0.23CC..Hα-helixtrans-59.2-35180-171.8-171.922.100112.5F92 L93 Q98 P100 C103 I105F92-Q96 HydrophobicContact CE1-CB 4.19Å; F92-Q96 HydrophobicContact CE1-CG 4.29Å; F92-Q96 VanDerWaalsContact CE1-OE1 3.27Å; F92-Q96 HydrophobicContact CE2-CB 4.3Å; F92-Q96 HydrophobicContact CZ-CB 3.99Å; F92-Q96 HydrophobicContact CZ-CG 4Å; F92-Q96 WeakPolarHBondContact O-CB 3.48Å; F92-Q96 PolarHBondContact O-N 2.85Å; L93-Q96 PolarHBondContact O-N 3.02Å; Q96-Q98 PolarHBondContact O-N 3.26Å; Q96-P100 WeakPolarHBondContact O-CD 3.34Å; Q96-C103 HydrophobicContact CG-CB 4.42Å; Q96-I105 VanDerWaalsContact NE2-CD1 3.33Å
97A84.9Confident83.7Confident89 Ų8945.4 Ų45.474%0.73625%0.252SS*.THydrogen-bonded Turntrans-69.1-16.7175.300000114.1L93 F95L93-A97 WeakPolarHBondContact O-CB 3.48Å; L93-A97 PolarHBondContact O-N 2.91Å; F95-A97 VanDerWaalsContact C-N 3.25Å; F95-A97 PolarHBondContact O-N 2.9Å
98Q81.3Confident82.1Confident89 Ų8953.2 Ų53.242%0.41629%0.288SS..THydrogen-bonded Turntrans-108.6-35-179.5-68.417465.300113G94 F95 Q96G94-Q98 PolarHBondContact O-NE2 3.11Å; F95-Q98 PolarHBondContact O-N 2.7Å; Q96-Q98 PolarHBondContact O-N 3.26Å
99F83.7Confident80.3Confident18 Ų1858.9 Ų58.98%0.07931%0.313CS..  trans-13659.9-173-56.3-78.8000111.2F95 E101 L102 C103 L557F95-F99 HydrophobicContact CD1-CB 4.32Å; F95-F99 HydrophobicContact CE1-CB 3.9Å; F95-F99 HydrophobicContact CE2-CD2 4.44Å; F95-F99 HydrophobicContact CZ-CB 4.14Å; F95-F99 PolarHBondContact O-N 2.78Å; F99-E101 WeakPolarHBondContact CA-OE1 3.38Å; F99-E101 PolarHBondContact O-N 2.87Å; F99-L102 HydrophobicContact CB-CB 4.14Å; F99-L102 HydrophobicContact CB-CD1 4.06Å; F99-L102 HydrophobicContact CB-CG 4.2Å; F99-L102 HydrophobicContact CD1-CD1 4.33Å; F99-L102 HydrophobicContact CG-CD1 4.36Å; F99-L102 PolarHBondContact O-N 3.45Å; F99-C103 PolarHBondContact O-SG 3.44Å; F99-C103 VanDerWaalsContact O-SG 3.39Å; F99-L557 HydrophobicContact CD2-CD2 3.74Å; F99-L557 HydrophobicContact CD2-CG 4.31Å; F99-L557 HydrophobicContact CE2-CD1 4.42Å; F99-L557 HydrophobicContact CE2-CD2 3.44Å; F99-L557 VanDerWaalsContact CE2-CD2 3.44Å; F99-L557 HydrophobicContact CE2-CG 3.7Å; F99-L557 HydrophobicContact CZ-CG 4.4Å
100P84.4Confident78.4Confident71 Ų7163 Ų6346%0.46134%0.336SS..G310 helixtrans-60.8-29.4-178.426.2-35.4000112.8Q96 L102 C103Q96-P100 WeakPolarHBondContact O-CD 3.34Å; P100-L102 PolarHBondContact O-N 3.15Å; P100-C103 WeakPolarHBondContact O-CB 3.24Å; P100-C103 PolarHBondContact O-N 2.94Å
101E84.1Confident76.1Confident109 Ų10966.2 Ų66.251%0.50936%0.361SS..G310 helixtrans-69.6-17175.272.9-63.1148.900114.3F99F99-E101 WeakPolarHBondContact CA-OE1 3.38Å; F99-E101 PolarHBondContact O-N 2.87Å
102L85.6Confident73.8Confident28 Ų2868.9 Ų68.915%0.14739%0.388CS..G310 helixtrans-95.68.8172.9-60.4-176.3000112.5H9 F95 F99 P100 F764H9-L102 PolarHBondContact N-O 3.42Å; F95-L102 HydrophobicContact CE1-CB 3.75Å; F95-L102 HydrophobicContact CZ-CB 3.85Å; F95-L102 HydrophobicContact CZ-CD1 4.11Å; F99-L102 HydrophobicContact CB-CB 4.14Å; F99-L102 HydrophobicContact CB-CD1 4.06Å; F99-L102 HydrophobicContact CB-CG 4.2Å; F99-L102 HydrophobicContact CD1-CD1 4.33Å; F99-L102 HydrophobicContact CG-CD1 4.36Å; F99-L102 PolarHBondContact O-N 3.45Å; P100-L102 PolarHBondContact O-N 3.15Å; L102-F764 HydrophobicContact CD2-CE1 4Å; L102-F764 HydrophobicContact CD2-CZ 4.03Å
103C86.1Confident71.6Confident10 Ų1076.3 Ų76.37%0.06842%0.423CS..EExtended strand (participates in β ladder)trans-111.3128.6178.7-60.40000111.4H7 F92 Q96 F99 P100 I105H7-C103 CarbonylContact O-C 3.29Å; H7-C103 WeakPolarHBondContact O-CA 3.38Å; F92-C103 HydrophobicContact CE2-CB 4.08Å; F92-C103 HydrophobicContact CZ-CB 4.19Å; Q96-C103 HydrophobicContact CG-CB 4.42Å; F99-C103 PolarHBondContact O-SG 3.44Å; F99-C103 VanDerWaalsContact O-SG 3.39Å; P100-C103 WeakPolarHBondContact O-CB 3.24Å; P100-C103 PolarHBondContact O-N 2.94Å; C103-I105 HydrophobicContact CB-CG1 4.32Å
104W84.2Confident69.1Low93 Ų9379.7 Ų79.735%0.35244%0.442SS..EExtended strand (participates in β ladder)trans-75.3132.3163.3-177.481.2000109.1S6 H7 N106S6-W104 VanDerWaalsContact CA-O 3.24Å; S6-W104 WeakPolarHBondContact CA-O 3.44Å; H7-W104 AromaticContact CE1-CD2 3.74Å; H7-W104 AromaticContact CE1-CE3 3.23Å; H7-W104 AromaticContact CE1-CZ3 3.79Å; H7-W104 PolarHBondContact N-O 2.88Å; H7-W104 AromaticContact ND1-CE3 3.41Å; H7-W104 AromaticContact ND1-CZ3 3.93Å; H7-W104 PolarHBondContact O-N 3.07Å; W104-N106 HydrophobicContact CH2-CB 3.69Å; W104-N106 HydrophobicContact CZ2-CB 4.08Å; W104-N106 HydrophobicContact CZ3-CB 4.07Å
105I82Confident66.9Low70 Ų7086 Ų8636%0.35946%0.464SS..EExtended strand (participates in β ladder)trans-136.4124.3178.5-55.2171.3000108.1Q96 C103 T107Q96-I105 VanDerWaalsContact NE2-CD1 3.33Å; C103-I105 HydrophobicContact CB-CG1 4.32Å; I105-T107 PolarHBondContact O-N 3.16Å
106N74.7Confident64.3Low33 Ų3390.8 Ų90.818%0.17651%0.505CS..  trans-82.7101.1173.1-171.8-46.6000110T5 W104 E108 K109T5-N106 PolarHBondContact O-N 3.22Å; W104-N106 HydrophobicContact CH2-CB 3.69Å; W104-N106 HydrophobicContact CZ2-CB 4.08Å; W104-N106 HydrophobicContact CZ3-CB 4.07Å; N106-E108 PolarHBondContact OD1-N 3.1Å; N106-E108 VanDerWaalsContact OD1-N 3.12Å; N106-K109 HydrophobicContact CB-CD 4.33Å; N106-K109 PolarHBondContact OD1-N 3.18Å; N106-K109 VanDerWaalsContact OD1-N 3.11Å
107T61.1Low61.6Low104 Ų10495 Ų9564%0.63852%0.524SS*.SBendtrans-73.8-24.6-179.445.90000113.9I105 I110I105-T107 PolarHBondContact O-N 3.16Å; T107-I110 WeakPolarHBondContact O-CG1 3.35Å; T107-I110 PolarHBondContact O-N 3.28Å
108E55.6Low59.1Low165 Ų16597.7 Ų97.777%0.77152%0.516SS*.G310 helixtrans-70.9-33.3-177.8-60.5-179.5151.800111.7N106 I110N106-E108 PolarHBondContact OD1-N 3.1Å; N106-E108 VanDerWaalsContact OD1-N 3.12Å; E108-I110 PolarHBondContact O-N 3.41Å; E108-I110 VanDerWaalsContact O-N 3.09Å
109K50.8Low56.7Low123 Ų123100.6 Ų100.654%0.53553%0.53SS..G310 helixtrans-69.5-1.8178.7-73.5-178-179.3-177.20115.6N4 T5 N106 A111N4-K109 PolarHBondContact O-NZ 3.35Å; T5-K109 HydrophobicContact CG2-CD 3.88Å; N106-K109 HydrophobicContact CB-CD 4.33Å; N106-K109 PolarHBondContact OD1-N 3.18Å; N106-K109 VanDerWaalsContact OD1-N 3.11Å; K109-A111 PolarHBondContact O-N 2.81Å
110I45.9Very low54.3Low138 Ų138108.3 Ų108.371%0.70857%0.566SS**G310 helixtrans-77.3-12.4-179-59176.7000111.4T107 E108T107-I110 WeakPolarHBondContact O-CG1 3.35Å; T107-I110 PolarHBondContact O-N 3.28Å; E108-I110 PolarHBondContact O-N 3.41Å; E108-I110 VanDerWaalsContact O-N 3.09Å
111A35.3Very low51.6Low84 Ų84109.5 Ų109.569%0.69458%0.575SS**SBendtrans-11155-169.800000115.9K109 E113K109-A111 PolarHBondContact O-N 2.81Å; A111-E113 PolarHBondContact O-N 3.39Å
112G38.6Very low49.3Very low56 Ų56109.7 Ų109.758%0.57758%0.58SS**  trans7613.2150.200000119.3D114G112-D114 PolarHBondContact O-N 3.4Å
113E40.8Very low47.4Very low163 Ų163110.9 Ų110.976%0.76259%0.589SS**  trans-88.396.5173.4-67.8-158.9149.800112.2A111 F115A111-E113 PolarHBondContact O-N 3.39Å; E113-F115 HydrophobicContact CB-CD2 4.3Å; E113-F115 PolarHBondContact O-N 3.02Å
114D34.4Very low46.3Very low153 Ų153112.3 Ų112.382%0.81860%0.599SS**  trans-73.357.1171.9-84.2-45000112.2G112 A116G112-D114 PolarHBondContact O-N 3.4Å; D114-A116 PolarHBondContact O-N 3.5Å
115F37.9Very low45.6Very low152 Ų152109 Ų10967%0.66759%0.588SS**  trans-92.193.5168.8-82.8-75.8000111.2E113 E117E113-F115 HydrophobicContact CB-CD2 4.3Å; E113-F115 PolarHBondContact O-N 3.02Å; F115-E117 HydrophobicContact CD1-CG 4.24Å; F115-E117 PolarHBondContact O-N 3.32Å
116A32.3Very low44.9Very low107 Ų107108.9 Ų108.988%0.88459%0.586SS**  trans-71.628162.200000112.8D114 Y118D114-A116 PolarHBondContact O-N 3.5Å; A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.32Å
117E31Very low44.7Very low140 Ų140113.8 Ų113.865%0.65461%0.607SS**  trans-69.493.5163.2-76.1-158.4148.200108.5F115 H119F115-E117 HydrophobicContact CD1-CG 4.24Å; F115-E117 PolarHBondContact O-N 3.32Å; E117-H119 PolarHBondContact O-N 2.95Å
118Y30.9Very low45.5Very low145 Ų145110.2 Ų110.257%0.56958%0.584SS**  trans-56.890.9150.6-172.4-83.3000106.8A116 Q120 C123A116-Y118 VanDerWaalsContact C-N 3.28Å; A116-Y118 PolarHBondContact O-N 3.32Å; Y118-Q120 HydrophobicContact CD1-CG 4.46Å; Y118-Q120 PolarHBondContact O-N 2.92Å; Y118-C123 PolarHBondContact OH-SG 3.31Å; Y118-C123 VanDerWaalsContact OH-SG 3.33Å
119H30.9Very low46.5Very low151 Ų151102.7 Ų102.770%0.69955%0.549SS*.  trans-51.7112170.7-101.3-51.5000106.9E117 C121E117-H119 PolarHBondContact O-N 2.95Å; H119-C121 PolarHBondContact O-N 2.97Å
120Q35Very low47.7Very low179 Ų179100.8 Ų100.884%0.83655%0.545SS*.SBendtrans-80.429.9-166.4-152.5167.1200112.6Y118Y118-Q120 HydrophobicContact CD1-CG 4.46Å; Y118-Q120 PolarHBondContact O-N 2.92Å
121C27Very low49.3Very low96 Ų9697.2 Ų97.265%0.64953%0.53SS*.SBendtrans-122.4149.8176.7-61.30000108.3H119H119-C121 PolarHBondContact O-N 2.97Å
122D35.2Very low51.4Low114 Ų11493.2 Ų93.261%0.6150%0.496SS*.  trans66.440.9165.8-73.731.1000118.4P124 R775D122-P124 WeakPolarHBondContact O-CD 3.44Å; D122-R775 IonicContact OD2-NH1 2.82Å; D122-R775 PolarHBondContact OD2-NH1 2.86Å
123C46.3Very low53.3Low52 Ų5292 Ų9235%0.35148%0.476SS..  trans-91.980.7147.7-87.50000111.1Y118 L125 E126Y118-C123 PolarHBondContact OH-SG 3.31Å; Y118-C123 VanDerWaalsContact OH-SG 3.33Å; C123-L125 PolarHBondContact O-N 3.11Å; C123-E126 PolarHBondContact O-N 3.15Å
124P63.1Low54.9Low41 Ų4188.3 Ų88.327%0.26647%0.468SS..Hα-helixtrans-62.6-24.9174.528.1-35.5000111.7D122 E126 Q127 I128D122-P124 WeakPolarHBondContact O-CD 3.44Å; P124-E126 VanDerWaalsContact C-N 3.29Å; P124-E126 PolarHBondContact O-N 2.98Å; P124-Q127 PolarHBondContact O-N 3.39Å; P124-I128 HydrophobicContact CB-CD1 4.13Å; P124-I128 WeakPolarHBondContact O-CB 3.43Å; P124-I128 WeakPolarHBondContact O-CD1 3.49Å; P124-I128 WeakPolarHBondContact O-CG1 3.32Å; P124-I128 PolarHBondContact O-N 3.36Å
125L68.5Low56.2Low22 Ų2287.2 Ų87.212%0.11545%0.453CS..Hα-helixtrans-55.3-41176.1-178.564.7000112.5L34 L38 C123 L129L34-L125 HydrophobicContact CD1-CD1 4.03Å; L38-L125 HydrophobicContact CD1-CD1 3.84Å; L38-L125 HydrophobicContact CD2-CD1 3.91Å; L38-L125 HydrophobicContact CG-CD1 4.42Å; C123-L125 PolarHBondContact O-N 3.11Å; L125-L129 WeakPolarHBondContact O-CB 3.43Å; L125-L129 PolarHBondContact O-N 3.08Å
126E67Low57.1Low68 Ų6882.5 Ų82.532%0.31844%0.439SS..Hα-helixtrans-75.8-38.3179.3-64-168.1-170.400112N17 C123 P124 L129 D130N17-E126 VanDerWaalsContact ND2-CD 3.29Å; N17-E126 PolarHBondContact ND2-OE1 2.8Å; C123-E126 PolarHBondContact O-N 3.15Å; P124-E126 VanDerWaalsContact C-N 3.29Å; P124-E126 PolarHBondContact O-N 2.98Å; E126-L129 WeakPolarHBondContact O-CB 3.39Å; E126-L129 PolarHBondContact O-N 3.43Å; E126-D130 PolarHBondContact O-N 3.26Å
127Q71.7Confident57.8Low136 Ų13681.7 Ų81.764%0.63643%0.427SS*.Hα-helixtrans-67-40.1175.8-61.4179.63.800111.9P124 T131P124-Q127 PolarHBondContact O-N 3.39Å; Q127-T131 WeakPolarHBondContact O-CB 3.07Å; Q127-T131 PolarHBondContact O-N 2.98Å; Q127-T131 PolarHBondContact O-OG1 3.33Å
128I78.1Confident58.7Low30 Ų3077.6 Ų77.615%0.15442%0.418CS..Hα-helixtrans-64.7-45.1172.8-73.3167000110L34 K37 L38 P124 T131 C132L34-I128 HydrophobicContact CD1-CG2 3.74Å; K37-I128 HydrophobicContact CB-CD1 4.47Å; K37-I128 HydrophobicContact CB-CG1 4.35Å; K37-I128 HydrophobicContact CB-CG2 3.5Å; K37-I128 VanDerWaalsContact CB-CG2 3.5Å; K37-I128 HydrophobicContact CD-CG2 3.98Å; K37-I128 HydrophobicContact CG-CG2 4.39Å; L38-I128 HydrophobicContact CD2-CD1 3.84Å; L38-I128 HydrophobicContact CG-CD1 4.44Å; P124-I128 HydrophobicContact CB-CD1 4.13Å; P124-I128 WeakPolarHBondContact O-CB 3.43Å; P124-I128 WeakPolarHBondContact O-CD1 3.49Å; P124-I128 WeakPolarHBondContact O-CG1 3.32Å; P124-I128 PolarHBondContact O-N 3.36Å; I128-T131 WeakPolarHBondContact O-CB 3.37Å; I128-T131 PolarHBondContact O-N 3.34Å; I128-C132 PolarHBondContact O-N 3.34Å; I128-C132 PolarHBondContact O-SG 2.99Å
129L76.1Confident59.3Low7 Ų777.1 Ų77.14%0.03742%0.42CS..Hα-helixtrans-57.8-54177.5174.770000111.8F20 K23 V29 L125 E126 T131 C132 L133F20-L129 HydrophobicContact CB-CD2 4.07Å; F20-L129 HydrophobicContact CD2-CD1 3.66Å; F20-L129 HydrophobicContact CD2-CD2 3.68Å; F20-L129 HydrophobicContact CD2-CG 4.19Å; F20-L129 HydrophobicContact CE2-CD1 3.94Å; F20-L129 HydrophobicContact CG-CD2 4.36Å; K23-L129 HydrophobicContact CD-CD2 4.3Å; V29-L129 HydrophobicContact CG1-CD1 3.96Å; V29-L129 HydrophobicContact CG2-CD1 3.78Å; L125-L129 WeakPolarHBondContact O-CB 3.43Å; L125-L129 PolarHBondContact O-N 3.08Å; E126-L129 WeakPolarHBondContact O-CB 3.39Å; E126-L129 PolarHBondContact O-N 3.43Å; L129-T131 VanDerWaalsContact C-N 3.25Å; L129-T131 PolarHBondContact O-N 3.35Å; L129-C132 WeakPolarHBondContact O-CB 3.42Å; L129-C132 PolarHBondContact O-N 2.9Å; L129-L133 HydrophobicContact CD1-CD1 4.02Å; L129-L133 HydrophobicContact CD1-CG 4.35Å; L129-L133 HydrophobicContact CD2-CD1 4.48Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.97Å
130D75.4Confident59.7Low83 Ų8379.2 Ų79.244%0.44443%0.428SS..Hα-helixtrans-67.9-29.8-178.4-74.8-18.5000111.1K23 E126 L133 C134K23-D130 IonicContact NZ-OD1 3.67Å; K23-D130 PolarHBondContact NZ-OD1 2.69Å; E126-D130 PolarHBondContact O-N 3.26Å; D130-L133 PolarHBondContact O-N 3.2Å; D130-C134 PolarHBondContact O-N 2.85Å; D130-C134 PolarHBondContact O-SG 3.2Å
131T80.3Confident59.6Low62 Ų6275.2 Ų75.238%0.3842%0.42SS..Hα-helixtrans-59-50.3165.8-570000111.4K37 Q127 I128 L129 L133 C134 Y135K37-T131 HydrophobicContact CD-CG2 4.5Å; Q127-T131 WeakPolarHBondContact O-CB 3.07Å; Q127-T131 PolarHBondContact O-N 2.98Å; Q127-T131 PolarHBondContact O-OG1 3.33Å; I128-T131 WeakPolarHBondContact O-CB 3.37Å; I128-T131 PolarHBondContact O-N 3.34Å; L129-T131 VanDerWaalsContact C-N 3.25Å; L129-T131 PolarHBondContact O-N 3.35Å; T131-L133 VanDerWaalsContact C-N 3.29Å; T131-L133 PolarHBondContact O-N 2.85Å; T131-C134 PolarHBondContact O-N 3.35Å; T131-Y135 HydrophobicContact CG2-CD2 4.12Å; T131-Y135 HydrophobicContact CG2-CE2 4.05Å; T131-Y135 WeakPolarHBondContact O-CD2 3.37Å; T131-Y135 PolarHBondContact O-N 2.84Å; T131-Y135 VanDerWaalsContact O-N 3.15Å
132C79.9Confident59.9Low0 Ų079.5 Ų79.50%043%0.427CS..Hα-helixtrans-58.8-37.8178.5-71.50000113.1P30 L33 I128 L129 Y135 S136P30-C132 HydrophobicContact CG-CB 3.92Å; L33-C132 HydrophobicContact CD2-CB 4.12Å; I128-C132 PolarHBondContact O-N 3.34Å; I128-C132 PolarHBondContact O-SG 2.99Å; L129-C132 WeakPolarHBondContact O-CB 3.42Å; L129-C132 PolarHBondContact O-N 2.9Å; C132-Y135 PolarHBondContact O-N 2.86Å; C132-S136 PolarHBondContact O-N 3.41Å
133L78.1Confident59.6Low30 Ų3080.9 Ų80.916%0.15743%0.433CS..Hα-helixtrans-74.7-28.6179.6-63.9166.7000112.9K23 Q28 L129 D130 T131 S136 S137K23-L133 HydrophobicContact CD-CD1 3.56Å; Q28-L133 HydrophobicContact CB-CD2 4.44Å; Q28-L133 WeakPolarHBondContact O-CD2 3.45Å; L129-L133 HydrophobicContact CD1-CD1 4.02Å; L129-L133 HydrophobicContact CD1-CG 4.35Å; L129-L133 HydrophobicContact CD2-CD1 4.48Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.28Å; L129-L133 PolarHBondContact O-N 2.97Å; D130-L133 PolarHBondContact O-N 3.2Å; T131-L133 VanDerWaalsContact C-N 3.29Å; T131-L133 PolarHBondContact O-N 2.85Å; L133-S136 PolarHBondContact O-OG 2.81Å; L133-S137 PolarHBondContact O-OG 3.26Å
134C73.5Confident58.8Low87 Ų8783.2 Ų83.259%0.58845%0.448SS*.Hα-helixtrans-70.1-33.6169.7-71.10000112.3D130 T131 S137D130-C134 PolarHBondContact O-N 2.85Å; D130-C134 PolarHBondContact O-SG 3.2Å; T131-C134 PolarHBondContact O-N 3.35Å; C134-S137 PolarHBondContact O-OG 3.28Å
135Y62.3Low57.1Low129 Ų12986.7 Ų86.751%0.50648%0.48SS..Hα-helixtrans-67.9-47.3175.9-92.9-91.9000112.2L33 T131 C132 S137 A138L33-Y135 HydrophobicContact CD2-CG 4.45Å; T131-Y135 HydrophobicContact CG2-CD2 4.12Å; T131-Y135 HydrophobicContact CG2-CE2 4.05Å; T131-Y135 WeakPolarHBondContact O-CD2 3.37Å; T131-Y135 PolarHBondContact O-N 2.84Å; T131-Y135 VanDerWaalsContact O-N 3.15Å; C132-Y135 PolarHBondContact O-N 2.86Å; Y135-S137 PolarHBondContact O-N 2.75Å; Y135-A138 PolarHBondContact O-N 3.13Å
136S55.8Low55.3Low53 Ų5389.9 Ų89.937%0.37150%0.504SS..Hα-helixtrans-64.6-24.1-177.760.50000114C132 L133C132-S136 PolarHBondContact O-N 3.41Å; L133-S136 PolarHBondContact O-OG 2.81Å
137S48.1Very low53.6Low90 Ų9095.7 Ų95.763%0.62953%0.531SS*.Hα-helixtrans-84.2-11.317544.20000114.2L133 C134 Y135L133-S137 PolarHBondContact O-OG 3.26Å; C134-S137 PolarHBondContact O-OG 3.28Å; Y135-S137 PolarHBondContact O-N 2.75Å
138A48.9Very low51.4Low55 Ų5595.5 Ų95.546%0.45554%0.543SS..Hα-helixtrans-88.1-47.517800000113.1Y135 S141Y135-A138 PolarHBondContact O-N 3.13Å; A138-S141 PolarHBondContact O-OG 2.98Å
139E45.2Very low49.1Very low134 Ų134101.4 Ų101.463%0.62658%0.575SS**Hα-helixtrans-78.2-24.5-169.8-64.6-170.4129.300114.2S141 K142E139-S141 PolarHBondContact O-N 3.05Å; E139-K142 PolarHBondContact O-N 3.41Å; E139-K142 VanDerWaalsContact O-N 3.08Å
140F37.4Very low46.9Very low195 Ų195108.9 Ų108.986%0.85561%0.614SS**THydrogen-bonded Turntrans-62.2-3175-112.4-82.8000114.7
141S32.8Very low44.7Very low96 Ų96111.9 Ų111.967%0.67163%0.629SS**THydrogen-bonded Turntrans-95.1-2.3175.8680000114.9A138 E139A138-S141 PolarHBondContact O-OG 2.98Å; E139-S141 PolarHBondContact O-N 3.05Å
142K33.7Very low42.1Very low185 Ų185113.6 Ų113.680%0.80464%0.643SS**SBendtrans-131.60.5-167.5-79.1-171.8175.8-1790117.8E139E139-K142 PolarHBondContact O-N 3.41Å; E139-K142 VanDerWaalsContact O-N 3.08Å
143I30Very low39.8Very low143 Ų143119.6 Ų119.673%0.73368%0.68SS**  trans-105121.9178.5-55.6179.5000109.5
144P29.1Very low37.6Very low102 Ų102123.7 Ų123.766%0.66271%0.711SS**  trans-72.1141.6175.830.3-33.9000111.1S146P144-S146 PolarHBondContact O-N 2.85Å
145A28.2Very low35.5Very low113 Ų113123.2 Ų123.293%0.93472%0.721SS**SBendtrans-80.777.6-178.400000111.8
146S30.2Very low33.9Very low89 Ų89121.2 Ų121.262%0.62273%0.731SS**  trans-154.668.5178.962.30000113.8P144P144-S146 PolarHBondContact O-N 2.85Å
147E30.8Very low32.7Very low191 Ų191124.9 Ų124.989%0.89375%0.751SS**  trans-177.292.1151.9-106.3163.7-15800109.5
148C26.7Very low32Very low131 Ų131127.1 Ų127.189%0.88576%0.761SS**  trans-148.241.5177.4-92.60000112.6
149D28.3Very low31.1Very low154 Ų154133.4 Ų133.482%0.82478%0.781SS**  trans-136.5149.9160-70.8-67.7000104.4
150I30.6Very low30.8Very low165 Ų165132.1 Ų132.185%0.84678%0.784SS**  cis-142161.633.5-70.2173.6000110.8
151L29.3Very low30.5Very low146 Ų146129.5 Ų129.576%0.76478%0.784SS**  trans-65.7142.4175.8-96.264.6000116.4
152S25.5Very low30.5Very low98 Ų98129.2 Ų129.269%0.68578%0.783SS**  trans68.7156.9131.1-59.70000123.5
153T31.4Very low30.5Very low125 Ų125127.5 Ų127.577%0.76778%0.78SS**  trans73.795.7153.129.10000120.6
154S31.7Very low30.6Very low117 Ų117125.6 Ų125.682%0.81878%0.78SS**  54.2128.3125.663.40000122
155G29.2Very low30.8Very low76 Ų76125.9 Ų125.978%0.78479%0.785SS**  trans152.488.3148.200000117.9
156A30.3Very low30.9Very low88 Ų88127.9 Ų127.973%0.72778%0.778SS**  trans29.3129.4147.700000122.5
157T29.2Very low31.1Very low129 Ų129128.8 Ų128.879%0.79178%0.782SS**  trans56.9128.914060.80000119.1
158T33.5Very low31Very low137 Ų137125.1 Ų125.184%0.8478%0.777SS**  cis-152.7-176.149420000113.8
159H30.7Very low31.3Very low188 Ų188126.1 Ų126.187%0.8778%0.779SS**  trans-86.4170.2-172.7-96.7-79.1000115.3
160P38.2Very low31.3Very low106 Ų106124.2 Ų124.269%0.68878%0.778SS**  trans-113.5174.7-151.943.5-39.1000117
161T31.7Very low31.5Very low140 Ų140124.9 Ų124.986%0.85978%0.781SS**  trans-163.7157.2160.124.30000107.9
162S33.4Very low31.5Very low91 Ų91122.6 Ų122.664%0.63678%0.778SS**  cis-173151.2-6.146.70000112.6
163I32.3Very low31.6Very low148 Ų148124.6 Ų124.676%0.75978%0.78SS**  trans71.2114.7142.8-67.7162.6000121
164S31.9Very low31.5Very low104 Ų104126.5 Ų126.573%0.72778%0.778SS**  trans52.6163.6140.689.70000122.1
165S33.8Very low31.4Very low108 Ų108127.2 Ų127.276%0.75578%0.779SS**  cis-155.6151.63.10.80000114.2
166I30.7Very low31.5Very low155 Ų155130.1 Ų130.180%0.79578%0.782SS**  trans-63.4164163.6-76156.2000111.2
167P35.1Very low31.6Very low108 Ų108131.9 Ų131.970%0.70179%0.789SS**  cis-139.7165.124.519.78.2000121.5
168S28Very low31.7Very low113 Ų113131.1 Ų131.179%0.7979%0.789SS**  trans30132.2132.2-44.30000124.1
169T31.8Very low31.6Very low152 Ų152129.5 Ų129.593%0.93378%0.783SS**  trans-133.7155.8138.840.70000110.3
170S30.1Very low31.5Very low115 Ų115130.6 Ų130.680%0.80479%0.786SS**  trans-121.8141.1-172.952.40000112.8
171I34.1Very low31Very low178 Ų178133 Ų13391%0.91379%0.788SS**  trans-133.8147.9168.3-61.6-176.4000107.8
172S28.2Very low30.8Very low98 Ų98133.6 Ų133.669%0.68578%0.783SS**  trans-134.8167.6-164.5-174.50000112.1
173L28.9Very low30.6Very low141 Ų141134.8 Ų134.874%0.73879%0.789SS**  trans71.7142174.9-47.7-178.5000114.1
174K29.4Very low30.2Very low165 Ų165132.5 Ų132.572%0.71779%0.786SS**  cis-157.9144.1-1.4-111.9158.2-174.6175.50107.8
175P29.9Very low30Very low131 Ų131136.7 Ų136.785%0.85179%0.791SS**  trans-79.3140.216532.5-32.2000110.8
176T30.6Very low29.8Very low137 Ų137139.9 Ų139.984%0.8479%0.794SS**  trans-124.4129.7166.946.30000109.4
177S31.9Very low29.6Very low125 Ų125141.5 Ų141.587%0.87480%0.798SS**  trans-84.7141-177.842.20000112.1
178S32.3Very low29.4Very low113 Ų113146.1 Ų146.179%0.7981%0.808SS**  trans-116.4107.1161.846.60000109.1
179S29.8Very low29.4Very low103 Ų103146.1 Ų146.172%0.7281%0.807SS**  trans-81.8122.1179.152.60000111.3
180F30.2Very low29.3Very low212 Ų212142.9 Ų142.993%0.9380%0.804SS**  trans-95.5132.9155.7-91.3-90.2000109.2
181Q27.1Very low29.4Very low157 Ų157140.8 Ų140.873%0.73480%0.801SS**  trans-148.6162.4-173.2-169.1-179.9-9.900109.5
182M27.6Very low29.3Very low151 Ų151140.7 Ų140.774%0.74480%0.8SS**  trans84154.2170.6-52.1-63.6-78.100116
183P29Very low29.4Very low117 Ų117141 Ų14176%0.7680%0.803SS**  cis-117163.3-5.331.5-14.4000114.7
184S23Very low29.6Very low100 Ų100145.7 Ų145.770%0.69981%0.811SS**  trans-116.1176.1155.3630000109.2
185K28.2Very low29.6Very low191 Ų191143.3 Ų143.383%0.8381%0.81SS**  trans77159.6-161.8-46.7176.9174.2-177.10112.3
186E30.5Very low29.7Very low175 Ų175144.5 Ų144.582%0.81881%0.809SS**  cis-124.6159.411.8-75.7-179.2152.500114.2
187Q25.8Very low29.9Very low189 Ų189143.3 Ų143.388%0.88381%0.806SS**  trans-87.7141.2166.2-62.9168.8-45.500109
188F30.7Very low30.2Very low206 Ų206142.1 Ų142.190%0.90480%0.795SS**  trans-142.9140.3155.6-131.7-89000110.7
189S27.4Very low30.2Very low112 Ų112143.8 Ų143.878%0.78380%0.795SS**  trans-131.3147.4-178.264.60000110.6
190G31.4Very low30.6Very low84 Ų84145.1 Ų145.187%0.86680%0.799SS**  trans166.6102.2-176.700000110.8
191G30.5Very low30.8Very low72 Ų72140.9 Ų140.974%0.74279%0.793SS**  trans-125.8171.8171.900000110.7
192I33.3Very low31.3Very low175 Ų175140 Ų14090%0.89780%0.798SS**  trans-156.9140.6160.6-101.8146.8000107.8
193S30.4Very low31.6Very low106 Ų106139.4 Ų139.474%0.74180%0.797SS**  trans-114.8157.6-179.4-46.50000111.3
194R31.6Very low31.6Very low239 Ų239141.8 Ų141.890%0.90280%0.804SS**  trans154.7149.5152.9-84.9155.7-154.9-138.25.6108.7
195T31Very low32.1Very low115 Ų115147.1 Ų147.171%0.70681%0.808SS**  cis-153.8156.77.6-5.50000110.8
196L31.5Very low32.2Very low156 Ų156143.4 Ų143.482%0.81781%0.806SS**  trans16.9142.3139.8-58.9167.7000119.3
197S34.2Very low32.3Very low112 Ų112146.3 Ų146.378%0.78381%0.81SS**  cis-157.5179.341-111.80000113.6
198P38.3Very low32.4Very low100 Ų100143.1 Ų143.165%0.64981%0.808SS**  trans-111.6-164.3-155.743.6-37.9000117.8
199D32.4Very low32.6Very low147 Ų147140 Ų14079%0.78680%0.8SS**  trans92.995.8156.5-57.6-23.8000121.4
200V38.2Very low32.8Very low132 Ų132142.5 Ų142.580%0.880%0.801SS**  trans-147.6126.1141.1-175.20000109.4
201P34.4Very low32.7Very low123 Ų123147.3 Ų147.380%0.79980%0.801SS**  trans-89.9156.5171.835.6-33.7000112.7
202V37.1Very low33.2Very low139 Ų139150 Ų15084%0.84280%0.796SS**  trans-130.1135.1172.5-179.70000109.7
203D34Very low33.1Very low137 Ų137151 Ų15173%0.73379%0.794SS**  trans-65.8130.7-171.2-99.2-63.5000114.3
204N28.9Very low33.5Very low168 Ų168151.1 Ų151.190%0.89879%0.79SS**  trans-100.6106165.6-111.2-28.9000109.2
205R34.1Very low33.5Very low211 Ų211144.1 Ų144.180%0.79677%0.77SS**  trans-133136.8170.3-71.5-168.2178.5-153-1.3112.4
206S31.4Very low33.5Very low113 Ų113145.9 Ų145.979%0.7978%0.775SS**  trans72.162.9157-530000119.4
207R31.9Very low33.5Very low237 Ų237143.3 Ų143.389%0.89477%0.766SS**  trans-135.283138.3-79.5-164.5176.1162.40.7111.5I209R207-I209 PolarHBondContact O-N 3.25Å
208S28.2Very low33.2Very low121 Ų121141.9 Ų141.985%0.84677%0.769SS**  trans-75.386.2167.955.70000110.1M210S208-M210 PolarHBondContact O-N 3.14Å
209I35.3Very low32.8Very low141 Ų141141.1 Ų141.172%0.72377%0.766SS**  trans-66.8124.8167.3-62.5176.2000107.4R207 E211R207-I209 PolarHBondContact O-N 3.25Å; I209-E211 PolarHBondContact O-N 3.19Å; I209-E211 VanDerWaalsContact O-N 3.07Å
210M30.6Very low33Very low165 Ų165141.1 Ų141.181%0.81377%0.772SS**  trans-72.398.5167.7-90.8-171.1166.200108.8S208 M212S208-M210 PolarHBondContact O-N 3.14Å; M210-M212 VanDerWaalsContact C-N 3.3Å; M210-M212 PolarHBondContact O-N 3.46Å
211E29.7Very low33.1Very low185 Ų185140.3 Ų140.386%0.86476%0.762SS**  trans-63.590.6166-67.9-171.7136.800109.8I209 K213I209-E211 PolarHBondContact O-N 3.19Å; I209-E211 VanDerWaalsContact O-N 3.07Å; E211-K213 PolarHBondContact O-N 3.31Å; E211-K213 VanDerWaalsContact O-N 3.07Å
212M40.1Very low34.3Very low127 Ų127137.9 Ų137.963%0.62675%0.745SS**  trans-71.2102.9168.2-73.3-165.9170.400108.7M210 V214M210-M212 VanDerWaalsContact C-N 3.3Å; M210-M212 PolarHBondContact O-N 3.46Å; M212-V214 WeakPolarHBondContact O-CG2 3.32Å; M212-V214 PolarHBondContact O-N 3.3Å
213K31.1Very low36.5Very low198 Ų198135.6 Ų135.686%0.86172%0.721SS**  trans-48.9119.6-178.4-142172.5-172.2177.20110.6E211E211-K213 PolarHBondContact O-N 3.31Å; E211-K213 VanDerWaalsContact O-N 3.07Å
214V39.9Very low39.3Very low108 Ų108129.2 Ų129.266%0.65569%0.688SS**  trans-86.6115.5-170.6-179.20000110.5M212 N216 R223M212-V214 WeakPolarHBondContact O-CG2 3.32Å; M212-V214 PolarHBondContact O-N 3.3Å; V214-N216 PolarHBondContact O-N 3.39Å; V214-R223 VanDerWaalsContact CG1-NH1 3.33Å
215D31.1Very low42.5Very low92 Ų92121.9 Ų121.949%0.49265%0.65SS.*  trans-68.8112.9169-52.8-57000109.6T217 R223 R247D215-T217 PolarHBondContact O-N 3.31Å; D215-R223 PolarHBondContact O-NH1 2.84Å; D215-R223 PolarHBondContact O-NH2 2.93Å; D215-R247 IonicContact OD2-CZ 3.68Å; D215-R247 IonicContact OD2-NH1 2.71Å; D215-R247 IonicContact OD2-NH2 2.72Å; D215-R247 PolarHBondContact OD2-NH2 2.99Å
216N30.4Very low45.5Very low152 Ų152115.8 Ų115.881%0.81364%0.637SS**  trans-90.375.2176-168.816.2000110.8V214V214-N216 PolarHBondContact O-N 3.39Å
217T32.5Very low48.6Very low101 Ų101111.4 Ų111.462%0.6261%0.605SS**  trans-104.7113.2168.347.60000109.2D215 S219D215-T217 PolarHBondContact O-N 3.31Å; T217-S219 PolarHBondContact O-N 3.19Å
218G28.2Very low51.6Low82 Ų82102.1 Ų102.185%0.84557%0.573SS**  trans-69.8110-166.900000114.3
219S29.6Very low54.9Low84 Ų84101.8 Ų101.859%0.58757%0.567SS**  trans-149146.1157.554.80000108T217 L221T217-S219 PolarHBondContact O-N 3.19Å; S219-L221 PolarHBondContact O-N 3.12Å
220T35.3Very low57.9Low148 Ų14896.3 Ų96.391%0.90854%0.539SS*.  trans-7919.2-169.841.90000114.7T222T220-T222 PolarHBondContact O-N 3.43Å
221L41.7Very low61.1Low114 Ų11488.5 Ų88.560%0.59750%0.5SS*.  trans-68.2122.2173-78.778.7000109.7S219 R223S219-L221 PolarHBondContact O-N 3.12Å; L221-R223 PolarHBondContact O-N 2.91Å
222T59.3Low64.3Low73 Ų7379.9 Ų79.945%0.44846%0.46SS..  trans-67.999.5174660000109.3T220 R343T220-T222 PolarHBondContact O-N 3.43Å; T222-R343 PolarHBondContact OG1-NH2 3.24Å; T222-R343 VanDerWaalsContact OG1-NH2 3.13Å
223R82.7Confident67.1Low90 Ų9073.8 Ų73.834%0.3443%0.43SS..  trans-56.4152.9174.4-64.3175.2-178.6-174.3-2.4110.2V214 D215 L221 R343V214-R223 VanDerWaalsContact CG1-NH1 3.33Å; D215-R223 PolarHBondContact O-NH1 2.84Å; D215-R223 PolarHBondContact O-NH2 2.93Å; L221-R223 PolarHBondContact O-N 2.91Å; R223-R343 PolarHBondContact O-NH1 3.2Å
224P93.1Very high70.2Confident4 Ų464.4 Ų64.43%0.02639%0.389CS..  trans-72.7144.1174.132.8-33.8000109.4P226 I232 L233 D238 I244 Y248 L306P224-P226 WeakPolarHBondContact O-CD 3.31Å; P224-I232 HydrophobicContact CB-CG2 3.75Å; P224-I232 HydrophobicContact CG-CG2 4.4Å; P224-L233 CarbonylContact C-O 3.58Å; P224-L233 WeakPolarHBondContact CA-O 3.44Å; P224-D238 HydrophobicContact CB-CB 4.15Å; P224-D238 VanDerWaalsContact CD-OD1 3.27Å; P224-D238 WeakPolarHBondContact CD-OD1 3.27Å; P224-D238 HydrophobicContact CG-CB 4.46Å; P224-I244 HydrophobicContact CG-CG2 3.6Å; P224-Y248 HydrophobicContact CG-CD1 4.28Å; P224-Y248 HydrophobicContact CG-CD2 3.73Å; P224-Y248 HydrophobicContact CG-CE1 4.19Å; P224-Y248 HydrophobicContact CG-CE2 3.62Å; P224-Y248 HydrophobicContact CG-CG 4.06Å; P224-L306 HydrophobicContact CB-CD1 4.28Å
225S95.8Very high72.9Confident14 Ų1459.5 Ų59.510%0.09836%0.36CS..EExtended strand (participates in β ladder)trans-100.8115.2-171.8-65.60000111.2I227 I232 L233 G342 R343S225-I227 PolarHBondContact O-N 3.33Å; S225-I232 WeakPolarHBondContact O-CA 3.41Å; S225-L233 PolarHBondContact N-O 3.46Å; S225-L233 PolarHBondContact O-N 2.99Å; S225-G342 WeakPolarHBondContact CB-O 3.22Å; S225-G342 PolarHBondContact OG-O 3Å; S225-R343 WeakPolarHBondContact OG-CB 3.26Å
226P96.7Very high76Confident83 Ų8358.2 Ų58.254%0.53935%0.351SS..EExtended strand (participates in β ladder)trans-67.1121.7169.3-17.432.2000110.2P224 Y248P224-P226 WeakPolarHBondContact O-CD 3.31Å; P226-Y248 HydrophobicContact CG-CD1 4.32Å; P226-Y248 HydrophobicContact CG-CE1 4.16Å
227I97.1Very high79.1Confident21 Ų2157.6 Ų57.611%0.10834%0.343CS..EExtended strand (participates in β ladder)trans-100.7-39.9178.5-53.5-54.2000110.3S225 L231 L233 L324 V338 V339S225-I227 PolarHBondContact O-N 3.33Å; I227-L231 HydrophobicContact CB-CD2 4.26Å; I227-L231 HydrophobicContact CG2-CD2 4.34Å; I227-L231 PolarHBondContact N-O 3.28Å; I227-L233 HydrophobicContact CD1-CB 4.28Å; I227-L233 HydrophobicContact CD1-CD2 4.31Å; I227-L233 HydrophobicContact CG1-CB 3.87Å; I227-L233 HydrophobicContact CG1-CD2 4.48Å; I227-L324 HydrophobicContact CG2-CD1 4.03Å; I227-L324 HydrophobicContact CG2-CD2 4.34Å; I227-L324 HydrophobicContact CG2-CG 4.47Å; I227-V338 HydrophobicContact CG2-CG1 4.38Å; I227-V339 HydrophobicContact CG2-CG2 4.02Å
228L96.3Very high82.1Confident42 Ų4253 Ų5322%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-137166.4169.9-63.2174.7000109.2H230 L231 Y323 L324L228-H230 PolarHBondContact O-N 3.07Å; L228-L231 HydrophobicContact CB-CB 3.9Å; L228-L231 HydrophobicContact CD1-CD2 4.41Å; L228-L231 PolarHBondContact N-O 3.41Å; L228-L231 VanDerWaalsContact N-O 3.1Å; L228-L231 PolarHBondContact O-N 3.26Å; L228-Y323 HydrophobicContact CD1-CE1 4Å; L228-L324 HydrophobicContact CD1-CD2 3.65Å; L228-L324 HydrophobicContact CD2-CD2 4.25Å; L228-L324 HydrophobicContact CG-CD2 3.96Å
229P96.2Very high85.4Confident113 Ų11349.1 Ų49.173%0.73428%0.275SS*.THydrogen-bonded Turntrans-54.4-29.1-179.3-28.937.1000114.9R304P229-R304 WeakPolarHBondContact O-CD 3.22Å
230H97.6Very high88.5Confident26 Ų2648.7 Ų48.712%0.1227%0.266CS..THydrogen-bonded Turntrans-105-1.1177.364-77.2000114.5L228 K299 R304 V305 Y323L228-H230 PolarHBondContact O-N 3.07Å; H230-K299 HydrophobicContact CB-CB 4.19Å; H230-K299 HydrophobicContact CB-CG 4.22Å; H230-R304 WeakPolarHBondContact O-CA 3.47Å; H230-V305 PolarHBondContact O-N 3.42Å; H230-Y323 AromaticContact NE2-CE1 3.68Å; H230-Y323 AromaticContact NE2-CZ 3.64Å; H230-Y323 PolarHBondContact NE2-OH 3.11Å
231L98.2Very high91.4Very high1 Ų143 Ų431%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-129.4119.1-170.7-171.472.1000111.7I227 L228 I295 I307 Y323I227-L231 HydrophobicContact CB-CD2 4.26Å; I227-L231 HydrophobicContact CG2-CD2 4.34Å; I227-L231 PolarHBondContact N-O 3.28Å; L228-L231 HydrophobicContact CB-CB 3.9Å; L228-L231 HydrophobicContact CD1-CD2 4.41Å; L228-L231 PolarHBondContact N-O 3.41Å; L228-L231 VanDerWaalsContact N-O 3.1Å; L228-L231 PolarHBondContact O-N 3.26Å; L231-I295 HydrophobicContact CD1-CD1 4.43Å; L231-I295 HydrophobicContact CD1-CG2 4.18Å; L231-I307 HydrophobicContact CD1-CD1 3.7Å; L231-I307 HydrophobicContact CD1-CG1 3.89Å; L231-Y323 HydrophobicContact CD2-CD1 3.63Å; L231-Y323 HydrophobicContact CD2-CE1 3.99Å
232I98.3Very high94Very high4 Ų441 Ų412%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-124.3142.4-178.9-59.2156.8000108.4P224 S225 I250 R304 V305 L306 I307P224-I232 HydrophobicContact CB-CG2 3.75Å; P224-I232 HydrophobicContact CG-CG2 4.4Å; S225-I232 WeakPolarHBondContact O-CA 3.41Å; I232-I250 HydrophobicContact CD1-CD1 4.24Å; I232-I250 HydrophobicContact CD1-CG1 3.62Å; I232-R304 HydrophobicContact CD1-CB 4.16Å; I232-V305 PolarHBondContact N-O 3.29Å; I232-L306 HydrophobicContact CB-CD1 4.32Å; I232-L306 HydrophobicContact CG2-CD1 3.84Å; I232-L306 CarbonylContact O-C 3.54Å; I232-L306 WeakPolarHBondContact O-CA 3.49Å; I232-I307 PolarHBondContact O-N 3.04Å
233L98.3Very high95.8Very high0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-118.2129.6-177.7171.863.7000110.4P224 S225 I227 I307 P317 V339 R343 V346P224-L233 CarbonylContact C-O 3.58Å; P224-L233 WeakPolarHBondContact CA-O 3.44Å; S225-L233 PolarHBondContact N-O 3.46Å; S225-L233 PolarHBondContact O-N 2.99Å; I227-L233 HydrophobicContact CD1-CB 4.28Å; I227-L233 HydrophobicContact CD1-CD2 4.31Å; I227-L233 HydrophobicContact CG1-CB 3.87Å; I227-L233 HydrophobicContact CG1-CD2 4.48Å; L233-I307 WeakPolarHBondContact CA-O 3.23Å; L233-P317 HydrophobicContact CD1-CG 3.96Å; L233-P317 HydrophobicContact CD2-CB 4.3Å; L233-P317 HydrophobicContact CD2-CG 4Å; L233-P317 HydrophobicContact CG-CG 4.49Å; L233-V339 HydrophobicContact CD2-CG1 3.62Å; L233-R343 HydrophobicContact CD2-CB 4.32Å; L233-V346 HydrophobicContact CD2-CG2 4.15Å
234G96.6Very high96.4Very high0 Ų039.8 Ų39.80%023%0.227CC..EExtended strand (participates in β ladder)trans-158.3-166.3-177.800000115.8D238 I307 H308 G312G234-D238 WeakPolarHBondContact CA-OD2 3.19Å; G234-I307 PolarHBondContact N-O 3.36Å; G234-H308 VanDerWaalsContact O-CA 3.31Å; G234-H308 WeakPolarHBondContact O-CA 3.24Å; G234-H308 VanDerWaalsContact O-CB 3.32Å; G234-H308 WeakPolarHBondContact O-CB 3.37Å; G234-G312 VanDerWaalsContact O-CA 3.22Å; G234-G312 WeakPolarHBondContact O-CA 3.38Å
235S95.7Very high96.5Very high6 Ų639.7 Ų39.74%0.04223%0.226CC..  trans-100.4175.317875.50000112.5E237 D238 A239 H308 C309 S310S235-E237 PolarHBondContact O-N 3.03Å; S235-E237 WeakPolarHBondContact OG-CB 3.37Å; S235-E237 PolarHBondContact OG-N 2.93Å; S235-E237 VanDerWaalsContact OG-N 3.14Å; S235-D238 PolarHBondContact N-OD2 3.02Å; S235-D238 WeakPolarHBondContact O-CB 3.16Å; S235-D238 PolarHBondContact O-N 3Å; S235-D238 PolarHBondContact OG-N 3.29Å; S235-D238 PolarHBondContact OG-OD2 3.11Å; S235-A239 PolarHBondContact O-N 2.93Å; S235-H308 WeakPolarHBondContact O-CB 3.27Å; S235-C309 CarbonylContact C-O 3.59Å; S235-S310 WeakPolarHBondContact CA-O 3.18Å; S235-S310 WeakPolarHBondContact CB-O 3.47Å
236Q96.4Very high96.5Very high65 Ų6547.6 Ų47.630%0.30426%0.259SS..Hα-helixtrans-64.8-25170.6179.4173.9-15.600112.3N240 C309 S310Q236-N240 WeakPolarHBondContact O-CB 3.48Å; Q236-N240 PolarHBondContact O-N 2.8Å; Q236-N240 VanDerWaalsContact O-N 3.12Å; Q236-N240 PolarHBondContact O-ND2 3.18Å; Q236-C309 WeakPolarHBondContact CB-O 3.46Å; Q236-C309 PolarHBondContact N-O 2.95Å; Q236-S310 PolarHBondContact N-O 3.06Å
237E94.9Very high96.6Very high139 Ų13950 Ų5065%0.6526%0.257SS*.Hα-helixtrans-72-41.6174.3-55.7-177.3160.500111.3S235 A239 N240 S241S235-E237 PolarHBondContact O-N 3.03Å; S235-E237 WeakPolarHBondContact OG-CB 3.37Å; S235-E237 PolarHBondContact OG-N 2.93Å; S235-E237 VanDerWaalsContact OG-N 3.14Å; E237-A239 VanDerWaalsContact C-N 3.32Å; E237-A239 PolarHBondContact O-N 3.19Å; E237-N240 PolarHBondContact O-N 2.98Å; E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.49Å; E237-S241 PolarHBondContact O-N 3.19Å
238D96Very high96.5Very high5 Ų551.3 Ų51.33%0.02726%0.261CS..Hα-helixtrans-58.9-46174-65.5-46.5000110.8P224 G234 S235 S241 I244 L306P224-D238 HydrophobicContact CB-CB 4.15Å; P224-D238 VanDerWaalsContact CD-OD1 3.27Å; P224-D238 WeakPolarHBondContact CD-OD1 3.27Å; P224-D238 HydrophobicContact CG-CB 4.46Å; G234-D238 WeakPolarHBondContact CA-OD2 3.19Å; S235-D238 PolarHBondContact N-OD2 3.02Å; S235-D238 WeakPolarHBondContact O-CB 3.16Å; S235-D238 PolarHBondContact O-N 3Å; S235-D238 PolarHBondContact OG-N 3.29Å; S235-D238 PolarHBondContact OG-OD2 3.11Å; D238-S241 PolarHBondContact O-N 3.47Å; D238-I244 HydrophobicContact CB-CG2 4.34Å; D238-L306 HydrophobicContact CB-CD2 4.18Å
239A96.8Very high96.6Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-66.3-36-178.400000113.8S235 E237 S241 I253 P263 H265 L306 H308S235-A239 PolarHBondContact O-N 2.93Å; E237-A239 VanDerWaalsContact C-N 3.32Å; E237-A239 PolarHBondContact O-N 3.19Å; A239-S241 VanDerWaalsContact C-N 3.33Å; A239-I253 HydrophobicContact CB-CD1 4.13Å; A239-P263 WeakPolarHBondContact O-CG 3.4Å; A239-H265 PolarHBondContact O-CE1 3.06Å; A239-H265 VanDerWaalsContact O-CE1 3.31Å; A239-L306 HydrophobicContact CB-CD2 3.73Å; A239-H308 HydrophobicContact CB-CB 4.48Å; A239-H308 VanDerWaalsContact CB-CD2 3.49Å; A239-H308 WeakPolarHBondContact CB-CD2 3.25Å
240N95.5Very high96.7Very high75 Ų7545.7 Ų45.740%0.40123%0.231SC..Hα-helixtrans-81.8-11178-79.2-70.8000113.4Q236 E237 P242Q236-N240 WeakPolarHBondContact O-CB 3.48Å; Q236-N240 PolarHBondContact O-N 2.8Å; Q236-N240 VanDerWaalsContact O-N 3.12Å; Q236-N240 PolarHBondContact O-ND2 3.18Å; E237-N240 PolarHBondContact O-N 2.98Å; N240-P242 WeakPolarHBondContact O-CD 3.46Å
241S95.9Very high96.7Very high27 Ų2746.9 Ų46.919%0.18924%0.24CC..  trans-91.9103.1-173.8179.70000112.6E237 D238 A239 T243 I244 C245E237-S241 VanDerWaalsContact O-CB 3.27Å; E237-S241 WeakPolarHBondContact O-CB 3.49Å; E237-S241 PolarHBondContact O-N 3.19Å; D238-S241 PolarHBondContact O-N 3.47Å; A239-S241 VanDerWaalsContact C-N 3.33Å; S241-T243 PolarHBondContact O-N 3.11Å; S241-T243 VanDerWaalsContact O-N 3.15Å; S241-T243 PolarHBondContact OG-OG1 2.79Å; S241-I244 PolarHBondContact O-N 2.72Å; S241-I244 VanDerWaalsContact O-N 3.11Å; S241-I244 WeakPolarHBondContact OG-CG1 3.32Å; S241-I244 PolarHBondContact OG-N 2.85Å; S241-C245 PolarHBondContact O-N 3.35Å
242P96.2Very high96.7Very high72 Ų7247.9 Ų47.947%0.46825%0.245SC..Hα-helixtrans-64.2-23.2-179.126.9-36000112.9N240 K246 H265N240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-K246 WeakPolarHBondContact O-CB 3.2Å; P242-K246 PolarHBondContact O-N 2.94Å; P242-H265 HydrophobicContact CB-CB 4.03Å
243T96.7Very high96.7Very high104 Ų10447.7 Ų47.764%0.63824%0.244SC*.Hα-helixtrans-75.4-38.5176.156.50000111.5S241 R247S241-T243 PolarHBondContact O-N 3.11Å; S241-T243 VanDerWaalsContact O-N 3.15Å; S241-T243 PolarHBondContact OG-OG1 2.79Å; T243-R247 WeakPolarHBondContact O-CB 3.43Å; T243-R247 PolarHBondContact O-N 3.1Å
244I95.3Very high96.7Very high34 Ų3447.7 Ų47.717%0.17424%0.244CC..Hα-helixtrans-68.1-51.5172.5-67.9176.5000109.5P224 D238 S241 K246 R247 Y248P224-I244 HydrophobicContact CG-CG2 3.6Å; D238-I244 HydrophobicContact CB-CG2 4.34Å; S241-I244 PolarHBondContact O-N 2.72Å; S241-I244 VanDerWaalsContact O-N 3.11Å; S241-I244 WeakPolarHBondContact OG-CG1 3.32Å; S241-I244 PolarHBondContact OG-N 2.85Å; I244-K246 VanDerWaalsContact C-N 3.29Å; I244-K246 PolarHBondContact O-N 2.56Å; I244-R247 PolarHBondContact O-N 3.41Å; I244-R247 VanDerWaalsContact O-N 3.08Å; I244-Y248 HydrophobicContact CG2-CD2 3.83Å; I244-Y248 HydrophobicContact CG2-CE2 4.23Å; I244-Y248 WeakPolarHBondContact O-CD2 3.37Å; I244-Y248 PolarHBondContact O-N 3.33Å
245C96.2Very high96.8Very high2 Ų247.7 Ų47.71%0.01424%0.244CC..Hα-helixtrans-56.2-41177.1-74.20000112.5S241 G249 I250 H265S241-C245 PolarHBondContact O-N 3.35Å; C245-G249 CarbonylContact O-C 3.59Å; C245-G249 VanDerWaalsContact O-CA 3.3Å; C245-G249 WeakPolarHBondContact O-CA 3.13Å; C245-G249 PolarHBondContact O-N 2.9Å; C245-I250 HydrophobicContact CB-CB 4.14Å; C245-I250 PolarHBondContact O-N 2.84Å; C245-H265 VanDerWaalsContact CB-NE2 3.32Å; C245-H265 WeakPolarHBondContact CB-NE2 3.48Å; C245-H265 PolarHBondContact SG-NE2 2.94Å
246K96.4Very high96.9Very high180 Ų18047.4 Ų47.478%0.78324%0.242SC*.Hα-helixtrans-68.5-43.3173.6-171.8173.3-177.9176.60113.1P242 I244 G249P242-K246 WeakPolarHBondContact O-CB 3.2Å; P242-K246 PolarHBondContact O-N 2.94Å; I244-K246 VanDerWaalsContact C-N 3.29Å; I244-K246 PolarHBondContact O-N 2.56Å; K246-G249 PolarHBondContact O-N 2.8Å; K246-G249 VanDerWaalsContact O-N 3.17Å
247R97.1Very high96.9Very high135 Ų13544.6 Ų44.651%0.50923%0.23SC..Hα-helixtrans-62.6-45.7179.6-178.5177.9-175144.614.5111.9D215 T243 I244 G249D215-R247 IonicContact OD2-CZ 3.68Å; D215-R247 IonicContact OD2-NH1 2.71Å; D215-R247 IonicContact OD2-NH2 2.72Å; D215-R247 PolarHBondContact OD2-NH2 2.99Å; T243-R247 WeakPolarHBondContact O-CB 3.43Å; T243-R247 PolarHBondContact O-N 3.1Å; I244-R247 PolarHBondContact O-N 3.41Å; I244-R247 VanDerWaalsContact O-N 3.08Å; R247-G249 PolarHBondContact O-N 2.95Å
248Y96.9Very high96.8Very high47 Ų4742.3 Ų42.318%0.18422%0.221CC..THydrogen-bonded Turntrans-86.58.9177-71.4-91.6000112.6P224 P226 I244 I250 R304P224-Y248 HydrophobicContact CG-CD1 4.28Å; P224-Y248 HydrophobicContact CG-CD2 3.73Å; P224-Y248 HydrophobicContact CG-CE1 4.19Å; P224-Y248 HydrophobicContact CG-CE2 3.62Å; P224-Y248 HydrophobicContact CG-CG 4.06Å; P226-Y248 HydrophobicContact CG-CD1 4.32Å; P226-Y248 HydrophobicContact CG-CE1 4.16Å; I244-Y248 HydrophobicContact CG2-CD2 3.83Å; I244-Y248 HydrophobicContact CG2-CE2 4.23Å; I244-Y248 WeakPolarHBondContact O-CD2 3.37Å; I244-Y248 PolarHBondContact O-N 3.33Å; Y248-I250 PolarHBondContact O-N 2.81Å; Y248-I250 VanDerWaalsContact O-N 3.11Å; Y248-R304 PolarHBondContact O-NE 3.03Å; Y248-R304 PolarHBondContact O-NH2 3.3Å
249G96.8Very high96.4Very high26 Ų2649.1 Ų49.127%0.26825%0.253SS..THydrogen-bonded Turntrans39.949.6-178.600000113C245 K246 R247 R304C245-G249 CarbonylContact O-C 3.59Å; C245-G249 VanDerWaalsContact O-CA 3.3Å; C245-G249 WeakPolarHBondContact O-CA 3.13Å; C245-G249 PolarHBondContact O-N 2.9Å; K246-G249 PolarHBondContact O-N 2.8Å; K246-G249 VanDerWaalsContact O-N 3.17Å; R247-G249 PolarHBondContact O-N 2.95Å; G249-R304 PolarHBondContact O-NE 3.38Å; G249-R304 VanDerWaalsContact O-NE 3.12Å
250I98.1Very high95.7Very high12 Ų1250.3 Ų50.36%0.06227%0.265CS..  trans-75130.6174.7-70.5158.8000106.9I232 C245 Y248 H252 I253 L306I232-I250 HydrophobicContact CD1-CD1 4.24Å; I232-I250 HydrophobicContact CD1-CG1 3.62Å; C245-I250 HydrophobicContact CB-CB 4.14Å; C245-I250 PolarHBondContact O-N 2.84Å; Y248-I250 PolarHBondContact O-N 2.81Å; Y248-I250 VanDerWaalsContact O-N 3.11Å; I250-H252 WeakPolarHBondContact CG2-O 3.34Å; I250-I253 HydrophobicContact CG2-CG1 4.16Å; I250-L306 HydrophobicContact CD1-CB 3.84Å; I250-L306 HydrophobicContact CD1-CD1 4.3Å; I250-L306 HydrophobicContact CD1-CD2 4.12Å; I250-L306 HydrophobicContact CD1-CG 4.31Å; I250-L306 HydrophobicContact CG1-CB 4.12Å; I250-L306 HydrophobicContact CG2-CB 3.74Å
251T98Very high95.3Very high50 Ų5051.3 Ų51.331%0.30728%0.278SS..  trans-117.5-21.9-175.357.10000112.4N270 G303 R304T251-N270 WeakPolarHBondContact O-CB 3.49Å; T251-N270 PolarHBondContact O-ND2 3.47Å; T251-G303 WeakPolarHBondContact OG1-CA 3.36Å; T251-R304 PolarHBondContact N-O 3.31Å; T251-R304 PolarHBondContact OG1-N 3.08Å; T251-R304 PolarHBondContact OG1-O 3.23Å
252H98.6Very high95.2Very high22 Ų2253.7 Ų53.710%0.10229%0.288CS..EExtended strand (participates in β ladder)trans-138.1145.2-175.7-67.678.8000108.9I250 N270 F294 A298 R304 V305 L306I250-H252 WeakPolarHBondContact CG2-O 3.34Å; H252-N270 CarbonylContact C-O 3.53Å; H252-N270 WeakPolarHBondContact CA-O 3.35Å; H252-F294 HydrophobicContact CB-CE1 4.17Å; H252-F294 HydrophobicContact CB-CZ 3.97Å; H252-A298 HydrophobicContact CB-CB 4.18Å; H252-R304 PolarHBondContact N-O 3.22Å; H252-R304 VanDerWaalsContact N-O 3.13Å; H252-V305 HydrophobicContact CB-CG2 4.06Å; H252-V305 WeakPolarHBondContact O-CA 3.46Å; H252-L306 PolarHBondContact O-N 3.11Å
253I98.5Very high95.1Very high0 Ų050.7 Ų50.70%027%0.268CS..EExtended strand (participates in β ladder)trans-123.4131.6177.4-72.7-173.9000109.6A239 I250 P263 I266 N270 F271 Y272 F294 L306 H308A239-I253 HydrophobicContact CB-CD1 4.13Å; I250-I253 HydrophobicContact CG2-CG1 4.16Å; I253-P263 HydrophobicContact CD1-CG 3.9Å; I253-I266 HydrophobicContact CD1-CD1 4.46Å; I253-I266 HydrophobicContact CD1-CG1 3.67Å; I253-I266 HydrophobicContact CG1-CG1 4.04Å; I253-N270 PolarHBondContact N-O 3.11Å; I253-F271 HydrophobicContact CB-CD2 4.01Å; I253-F271 HydrophobicContact CG2-CD2 3.75Å; I253-F271 HydrophobicContact CG2-CE2 3.85Å; I253-F271 WeakPolarHBondContact O-CA 3.39Å; I253-Y272 PolarHBondContact O-N 3.17Å; I253-F294 WeakPolarHBondContact O-CZ 3.44Å; I253-L306 HydrophobicContact CG1-CB 4.44Å; I253-H308 WeakPolarHBondContact CG2-NE2 3.38Å
254L98.6Very high95Very high0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-115.4102.5173.2-154.3178.9000108V256 Y272 I274 A291 F294 I295 V305 L306 I307 H308 L319L254-V256 HydrophobicContact CD2-CG2 3.78Å; L254-Y272 CarbonylContact C-O 3.09Å; L254-Y272 WeakPolarHBondContact CA-O 3.43Å; L254-Y272 HydrophobicContact CD2-CD1 4.2Å; L254-Y272 HydrophobicContact CG-CD1 4.17Å; L254-I274 HydrophobicContact CD2-CD1 3.74Å; L254-I274 HydrophobicContact CD2-CG1 4.14Å; L254-A291 HydrophobicContact CD1-CB 4.26Å; L254-F294 HydrophobicContact CB-CD1 4.3Å; L254-F294 HydrophobicContact CB-CE1 3.99Å; L254-F294 HydrophobicContact CD1-CD1 4.04Å; L254-F294 HydrophobicContact CG-CD1 4.07Å; L254-F294 HydrophobicContact CG-CE1 4.2Å; L254-I295 HydrophobicContact CD1-CD1 4.07Å; L254-I295 HydrophobicContact CD1-CG1 4.07Å; L254-V305 HydrophobicContact CB-CG1 3.98Å; L254-L306 PolarHBondContact N-O 3.12Å; L254-I307 HydrophobicContact CB-CG1 4.19Å; L254-I307 HydrophobicContact CB-CG2 4.41Å; L254-I307 HydrophobicContact CD1-CD1 4.24Å; L254-I307 HydrophobicContact CD1-CG1 4.2Å; L254-I307 WeakPolarHBondContact O-CA 3.15Å; L254-H308 PolarHBondContact O-N 3.09Å; L254-L319 HydrophobicContact CD1-CD2 3.83Å; L254-L319 HydrophobicContact CD2-CD2 3.76Å; L254-L319 HydrophobicContact CG-CD2 4.47Å
255N98.4Very high95Very high1 Ų153.3 Ų53.31%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-90.8116.3-177.7-179.518.9000110.8S257 E259 F271 Y272 Q273 I274 H308N255-S257 PolarHBondContact OD1-OG 2.78Å; N255-E259 PolarHBondContact ND2-O 3.49Å; N255-F271 HydrophobicContact CB-CE2 4.06Å; N255-F271 HydrophobicContact CB-CZ 3.85Å; N255-Y272 PolarHBondContact N-O 3.2Å; N255-Q273 HydrophobicContact CB-CB 4.46Å; N255-Q273 HydrophobicContact CB-CG 4.25Å; N255-Q273 CarbonylContact O-C 3.41Å; N255-Q273 VanDerWaalsContact O-CA 3.32Å; N255-Q273 WeakPolarHBondContact O-CA 3.29Å; N255-I274 PolarHBondContact O-N 2.93Å; N255-H308 WeakPolarHBondContact CB-NE2 3.13Å; N255-H308 VanDerWaalsContact CG-CE1 3.5Å; N255-H308 PolarHBondContact OD1-CE1 3.41Å
256V98.2Very high95Very high0 Ų053.9 Ų53.90%029%0.29CS..  trans-106.164.1179.3-162.70000110.2L254 I274 M284 I307 H308 C309 R315 L319L254-V256 HydrophobicContact CD2-CG2 3.78Å; V256-I274 CarbonylContact C-O 3.54Å; V256-I274 HydrophobicContact CG1-CB 4.27Å; V256-I274 HydrophobicContact CG1-CG2 4.18Å; V256-M284 HydrophobicContact CG1-CE 3.58Å; V256-M284 HydrophobicContact CG1-SD 3.63Å; V256-I307 HydrophobicContact CG2-CG2 3.77Å; V256-H308 PolarHBondContact N-O 2.93Å; V256-C309 HydrophobicContact CB-CB 4.38Å; V256-C309 WeakPolarHBondContact O-CB 3.33Å; V256-R315 HydrophobicContact CB-CB 4.24Å; V256-R315 HydrophobicContact CG1-CB 3.84Å; V256-R315 HydrophobicContact CG1-CG 4.42Å; V256-R315 WeakPolarHBondContact O-CD 3.44Å; V256-L319 HydrophobicContact CG2-CD2 3.69Å
257S95.7Very high95Very high6 Ų648.1 Ų48.14%0.04227%0.271CS..SBendtrans-157.1160.9169.243.60000112.1N255 E259 Q273 I274 R315N255-S257 PolarHBondContact OD1-OG 2.78Å; S257-E259 PolarHBondContact O-N 2.85Å; S257-E259 PolarHBondContact OG-O 3.36Å; S257-Q273 PolarHBondContact O-NE2 3.28Å; S257-I274 PolarHBondContact N-O 2.83Å; S257-R315 VanDerWaalsContact CB-NH1 3.34Å
258L92.5Very high94.9Very high90 Ų9045.6 Ų45.647%0.47127%0.274SS..SBendtrans-55.3-36172.6-62.7-173.6000113Q273 P275 N277L258-Q273 VanDerWaalsContact C-NE2 3.32Å; L258-Q273 PolarHBondContact O-NE2 2.84Å; L258-P275 HydrophobicContact CD2-CB 3.95Å; L258-N277 WeakPolarHBondContact CD1-OD1 3.37Å
259E87.8Confident94.8Very high149 Ų14950.1 Ų50.170%0.69630%0.297SS*.  trans-109.2162.8-174.8-65.3177.4-160.100112.1N255 S257N255-E259 PolarHBondContact ND2-O 3.49Å; S257-E259 PolarHBondContact O-N 2.85Å; S257-E259 PolarHBondContact OG-O 3.36Å
260G81.3Confident94.9Very high25 Ų2550.4 Ų50.426%0.25829%0.292SS..  trans124.3108177.600000111.7
261S87.8Confident94.9Very high96 Ų9651.2 Ų51.267%0.67130%0.295SS*.PPolyproline II helixtrans-71.4158.5171.4500000111.4P263S261-P263 VanDerWaalsContact O-CD 3.23Å; S261-P263 WeakPolarHBondContact O-CD 3.04Å
262I94.3Very high94.9Very high77 Ų7752 Ų5240%0.39529%0.293SS..PPolyproline II helixtrans-62.5118.9175.6-50.3-173.6000108.9S264 F271I262-S264 PolarHBondContact O-N 2.93Å; I262-F271 HydrophobicContact CB-CD2 4.42Å; I262-F271 HydrophobicContact CB-CG 4.34Å; I262-F271 HydrophobicContact CD1-CB 4.42Å; I262-F271 HydrophobicContact CD1-CD1 4.11Å; I262-F271 HydrophobicContact CD1-CG 4.39Å; I262-F271 HydrophobicContact CG1-CB 4.37Å; I262-F271 HydrophobicContact CG1-CD1 3.68Å; I262-F271 HydrophobicContact CG1-CD2 4.36Å; I262-F271 HydrophobicContact CG1-CE1 3.93Å; I262-F271 HydrophobicContact CG1-CG 3.91Å; I262-F271 HydrophobicContact CG1-CZ 4.37Å; I262-F271 HydrophobicContact CG2-CB 3.94Å; I262-F271 HydrophobicContact CG2-CD2 4.16Å; I262-F271 HydrophobicContact CG2-CG 4.04Å
263P94.4Very high94.9Very high8 Ų854.1 Ų54.15%0.05230%0.303CS..PPolyproline II helixtrans-64.4133.1179.5-24.637.1000110.8A239 I253 S261 H265 I266A239-P263 WeakPolarHBondContact O-CG 3.4Å; I253-P263 HydrophobicContact CD1-CG 3.9Å; S261-P263 VanDerWaalsContact O-CD 3.23Å; S261-P263 WeakPolarHBondContact O-CD 3.04Å; P263-H265 PolarHBondContact O-N 3.49Å; P263-I266 PolarHBondContact O-N 3.33Å
264S94.5Very high94.8Very high133 Ų13354.1 Ų54.193%0.9330%0.303SS*.THydrogen-bonded Turntrans-61.1-6.4-170.558.20000116.3I262I262-S264 PolarHBondContact O-N 2.93Å
265H95.5Very high94.7Very high60 Ų6057 Ų5728%0.27832%0.322SS..THydrogen-bonded Turntrans-103.51.6177.663.8-90.5000113.5A239 P242 C245 P263A239-H265 PolarHBondContact O-CE1 3.06Å; A239-H265 VanDerWaalsContact O-CE1 3.31Å; P242-H265 HydrophobicContact CB-CB 4.03Å; C245-H265 VanDerWaalsContact CB-NE2 3.32Å; C245-H265 WeakPolarHBondContact CB-NE2 3.48Å; C245-H265 PolarHBondContact SG-NE2 2.94Å; P263-H265 PolarHBondContact O-N 3.49Å
266I96.5Very high94.5Very high14 Ų1457 Ų577%0.07232%0.322CS..SBendtrans-118.1130.2175.4-62.2-62.3000109.1I253 P263 N270I253-I266 HydrophobicContact CD1-CD1 4.46Å; I253-I266 HydrophobicContact CD1-CG1 3.67Å; I253-I266 HydrophobicContact CG1-CG1 4.04Å; P263-I266 PolarHBondContact O-N 3.33Å; I266-N270 HydrophobicContact CG2-CB 3.99Å
267P95.5Very high94.3Very high60 Ų6059.9 Ų59.939%0.3934%0.337SS..  trans-61.2144.5174.2-22.133.5000111.9Q269 N270P267-Q269 VanDerWaalsContact C-N 3.28Å; P267-Q269 VanDerWaalsContact CB-NE2 3.34Å; P267-Q269 VanDerWaalsContact CB-OE1 3.24Å; P267-Q269 PolarHBondContact O-N 3.16Å; P267-N270 HydrophobicContact CB-CB 4.47Å; P267-N270 WeakPolarHBondContact O-CA 3.46Å; P267-N270 WeakPolarHBondContact O-CB 3.35Å; P267-N270 PolarHBondContact O-N 3.22Å
268S94.9Very high94.3Very high82 Ų8262.7 Ų62.757%0.57335%0.352SS*.G310 helixtrans-61.6-33.4-17650.60000113.6N270 F271S268-N270 PolarHBondContact O-N 2.93Å; S268-F271 PolarHBondContact O-N 2.78Å
269Q95.7Very high94.1Very high142 Ų14260.4 Ų60.466%0.66434%0.34SS*.G310 helixtrans-70.8-10.8174.576.5-74.72.100114P267P267-Q269 VanDerWaalsContact C-N 3.28Å; P267-Q269 VanDerWaalsContact CB-NE2 3.34Å; P267-Q269 VanDerWaalsContact CB-OE1 3.24Å; P267-Q269 PolarHBondContact O-N 3.16Å
270N97.8Very high94Very high32 Ų3258.8 Ų58.817%0.17133%0.328CS..G310 helixtrans-102.211.9174.9-65.827.6000112.1T251 H252 I253 I266 P267 S268 F294T251-N270 WeakPolarHBondContact O-CB 3.49Å; T251-N270 PolarHBondContact O-ND2 3.47Å; H252-N270 CarbonylContact C-O 3.53Å; H252-N270 WeakPolarHBondContact CA-O 3.35Å; I253-N270 PolarHBondContact N-O 3.11Å; I266-N270 HydrophobicContact CG2-CB 3.99Å; P267-N270 HydrophobicContact CB-CB 4.47Å; P267-N270 WeakPolarHBondContact O-CA 3.46Å; P267-N270 WeakPolarHBondContact O-CB 3.35Å; P267-N270 PolarHBondContact O-N 3.22Å; S268-N270 PolarHBondContact O-N 2.93Å; N270-F294 WeakPolarHBondContact O-CZ 3.32Å
271F98.2Very high94.4Very high29 Ų2961.6 Ų61.613%0.12734%0.34CS..EExtended strand (participates in β ladder)trans-117.2133.1177.8180-87000110.3I253 N255 I262 S268 Q273I253-F271 HydrophobicContact CB-CD2 4.01Å; I253-F271 HydrophobicContact CG2-CD2 3.75Å; I253-F271 HydrophobicContact CG2-CE2 3.85Å; I253-F271 WeakPolarHBondContact O-CA 3.39Å; N255-F271 HydrophobicContact CB-CE2 4.06Å; N255-F271 HydrophobicContact CB-CZ 3.85Å; I262-F271 HydrophobicContact CB-CD2 4.42Å; I262-F271 HydrophobicContact CB-CG 4.34Å; I262-F271 HydrophobicContact CD1-CB 4.42Å; I262-F271 HydrophobicContact CD1-CD1 4.11Å; I262-F271 HydrophobicContact CD1-CG 4.39Å; I262-F271 HydrophobicContact CG1-CB 4.37Å; I262-F271 HydrophobicContact CG1-CD1 3.68Å; I262-F271 HydrophobicContact CG1-CD2 4.36Å; I262-F271 HydrophobicContact CG1-CE1 3.93Å; I262-F271 HydrophobicContact CG1-CG 3.91Å; I262-F271 HydrophobicContact CG1-CZ 4.37Å; I262-F271 HydrophobicContact CG2-CB 3.94Å; I262-F271 HydrophobicContact CG2-CD2 4.16Å; I262-F271 HydrophobicContact CG2-CG 4.04Å; S268-F271 PolarHBondContact O-N 2.78Å; F271-Q273 HydrophobicContact CE1-CB 3.95Å; F271-Q273 HydrophobicContact CZ-CB 4.47Å
272Y97.9Very high94.7Very high66 Ų6658.7 Ų58.726%0.25932%0.317SS..EExtended strand (participates in β ladder)trans-134.3140.8174.1-176.6-106000110.1I253 L254 N255 I274 D290 F294I253-Y272 PolarHBondContact O-N 3.17Å; L254-Y272 CarbonylContact C-O 3.09Å; L254-Y272 WeakPolarHBondContact CA-O 3.43Å; L254-Y272 HydrophobicContact CD2-CD1 4.2Å; L254-Y272 HydrophobicContact CG-CD1 4.17Å; N255-Y272 PolarHBondContact N-O 3.2Å; Y272-I274 HydrophobicContact CD1-CG1 4.15Å; Y272-I274 HydrophobicContact CE1-CD1 4.06Å; Y272-I274 HydrophobicContact CE1-CG1 3.61Å; Y272-D290 WeakPolarHBondContact OH-CB 3.41Å; Y272-F294 HydrophobicContact CG-CD2 4.34Å; Y272-F294 HydrophobicContact CG-CG 4.44Å
273Q97.9Very high94.6Very high67 Ų6759.9 Ų59.931%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-124.5132.5-176.4-172.4179.3700111.4N255 S257 L258 F271N255-Q273 HydrophobicContact CB-CB 4.46Å; N255-Q273 HydrophobicContact CB-CG 4.25Å; N255-Q273 CarbonylContact O-C 3.41Å; N255-Q273 VanDerWaalsContact O-CA 3.32Å; N255-Q273 WeakPolarHBondContact O-CA 3.29Å; S257-Q273 PolarHBondContact O-NE2 3.28Å; L258-Q273 VanDerWaalsContact C-NE2 3.32Å; L258-Q273 PolarHBondContact O-NE2 2.84Å; F271-Q273 HydrophobicContact CE1-CB 3.95Å; F271-Q273 HydrophobicContact CZ-CB 4.47Å
274I97.8Very high94.7Very high0 Ų059.5 Ų59.50%032%0.322CS..  trans-111.1103.4172.3-65.2173.5000107.3L254 N255 V256 S257 Y272 V276 M284 Y287 A291 L319L254-I274 HydrophobicContact CD2-CD1 3.74Å; L254-I274 HydrophobicContact CD2-CG1 4.14Å; N255-I274 PolarHBondContact O-N 2.93Å; V256-I274 CarbonylContact C-O 3.54Å; V256-I274 HydrophobicContact CG1-CB 4.27Å; V256-I274 HydrophobicContact CG1-CG2 4.18Å; S257-I274 PolarHBondContact N-O 2.83Å; Y272-I274 HydrophobicContact CD1-CG1 4.15Å; Y272-I274 HydrophobicContact CE1-CD1 4.06Å; Y272-I274 HydrophobicContact CE1-CG1 3.61Å; I274-V276 VanDerWaalsContact C-N 3.33Å; I274-V276 HydrophobicContact CG2-CB 4.23Å; I274-V276 HydrophobicContact CG2-CG2 3.66Å; I274-V276 PolarHBondContact O-N 3.31Å; I274-M284 HydrophobicContact CG2-SD 4.1Å; I274-Y287 HydrophobicContact CG1-CD1 4.39Å; I274-Y287 HydrophobicContact CG1-CG 4.37Å; I274-Y287 HydrophobicContact CG2-CD1 4.01Å; I274-Y287 HydrophobicContact CG2-CD2 3.69Å; I274-Y287 HydrophobicContact CG2-CE1 4.44Å; I274-Y287 HydrophobicContact CG2-CE2 4.16Å; I274-Y287 HydrophobicContact CG2-CG 3.6Å; I274-A291 HydrophobicContact CD1-CB 3.93Å; I274-L319 HydrophobicContact CD1-CD2 3.65Å
275P96Very high94.7Very high60 Ų6054.8 Ų54.839%0.3929%0.287SS..  trans-79.678.7-174.232.6-35.4000111.1L258L258-P275 HydrophobicContact CD2-CB 3.95Å
276V94.5Very high94.8Very high2 Ų256 Ų561%0.01230%0.301CS..  trans-122.4138.7-178.3165.70000111.5I274 D282 M284 Y287 R315 F352I274-V276 VanDerWaalsContact C-N 3.33Å; I274-V276 HydrophobicContact CG2-CB 4.23Å; I274-V276 HydrophobicContact CG2-CG2 3.66Å; I274-V276 PolarHBondContact O-N 3.31Å; V276-D282 HydrophobicContact CG1-CB 4.01Å; V276-M284 HydrophobicContact CB-CE 4.29Å; V276-M284 HydrophobicContact CB-SD 4.3Å; V276-M284 HydrophobicContact CG1-CE 3.64Å; V276-M284 HydrophobicContact CG1-SD 4.12Å; V276-M284 HydrophobicContact CG2-SD 4.24Å; V276-Y287 HydrophobicContact CG2-CD2 3.97Å; V276-Y287 HydrophobicContact CG2-CE2 3.56Å; V276-R315 HydrophobicContact CG1-CG 4.42Å; V276-R315 WeakPolarHBondContact O-CD 3.24Å; V276-R315 PolarHBondContact O-NH1 3.28Å; V276-F352 HydrophobicContact CG1-CE1 4.19Å; V276-F352 HydrophobicContact CG1-CZ 3.76Å
277N94.3Very high94.8Very high59 Ų5958.9 Ų58.932%0.31631%0.311SS..  trans-83160.2174.5-63.7-78.8000112.4L258 N279 D282 F352L258-N277 WeakPolarHBondContact CD1-OD1 3.37Å; N277-N279 HydrophobicContact CB-CB 4.43Å; N277-N279 WeakPolarHBondContact CB-ND2 3.2Å; N277-N279 PolarHBondContact O-N 2.89Å; N277-D282 WeakPolarHBondContact CB-OD2 3.13Å; N277-D282 PolarHBondContact N-OD2 2.66Å; N277-D282 PolarHBondContact ND2-OD2 2.73Å; N277-F352 WeakPolarHBondContact O-CZ 3.44Å
278D95.6Very high94.9Very high65 Ų6556.2 Ų56.235%0.34829%0.293SS..SBendtrans-92.369.7174.1-127.8-45.2000110.4S314 R315 N349D278-S314 WeakPolarHBondContact OD1-CB 3.16Å; D278-S314 PolarHBondContact OD1-OG 3.33Å; D278-R315 HydrophobicContact CB-CG 4.31Å; D278-R315 WeakPolarHBondContact OD2-CG 2.96Å; D278-R315 IonicContact OD2-CZ 3.37Å; D278-R315 PolarHBondContact OD2-N 2.9Å; D278-R315 IonicContact OD2-NE 3.83Å; D278-R315 PolarHBondContact OD2-NE 3.31Å; D278-R315 IonicContact OD2-NH2 2.65Å; D278-N349 PolarHBondContact OD1-ND2 3.41Å
279N87.6Confident95Very high42 Ų4257.2 Ų57.223%0.22529%0.287CS..SBendtrans-137.4-179.3-172.271.519000113N277 T281 D282 N349 N351N277-N279 HydrophobicContact CB-CB 4.43Å; N277-N279 WeakPolarHBondContact CB-ND2 3.2Å; N277-N279 PolarHBondContact O-N 2.89Å; N279-T281 VanDerWaalsContact CG-OG1 3.3Å; N279-T281 PolarHBondContact ND2-OG1 3.14Å; N279-T281 VanDerWaalsContact ND2-OG1 3.16Å; N279-T281 PolarHBondContact OD1-N 2.87Å; N279-T281 PolarHBondContact OD1-OG1 2.69Å; N279-T281 VanDerWaalsContact OD1-OG1 3.14Å; N279-D282 PolarHBondContact ND2-OD1 2.82Å; N279-D282 WeakPolarHBondContact OD1-CB 3.36Å; N279-D282 PolarHBondContact OD1-N 2.82Å; N279-D282 PolarHBondContact OD1-OD1 2.92Å; N279-D282 VanDerWaalsContact OD1-OD1 3.08Å; N279-N349 PolarHBondContact O-ND2 3.13Å; N279-N349 VanDerWaalsContact O-ND2 3.17Å; N279-N349 PolarHBondContact O-OD1 2.85Å; N279-N351 PolarHBondContact O-ND2 3.28Å
280Y86.7Confident95.1Very high115 Ų11554.7 Ų54.745%0.45128%0.278SS..SBendtrans-87.96-178.160.3-94.3000114.7F58F58-Y280 HydrophobicContact CD2-CD1 4.02Å; F58-Y280 HydrophobicContact CD2-CE1 4.44Å; F58-Y280 HydrophobicContact CD2-CG 4.47Å; F58-Y280 HydrophobicContact CE2-CD1 4.27Å; F58-Y280 HydrophobicContact CE2-CG 4.28Å
281T89.8Confident95.2Very high84 Ų8453.1 Ų53.152%0.51527%0.27SS..SBendtrans-121.4-33.2-174.351.70000114.7N279 N351N279-T281 VanDerWaalsContact CG-OG1 3.3Å; N279-T281 PolarHBondContact ND2-OG1 3.14Å; N279-T281 VanDerWaalsContact ND2-OG1 3.16Å; N279-T281 PolarHBondContact OD1-N 2.87Å; N279-T281 PolarHBondContact OD1-OG1 2.69Å; N279-T281 VanDerWaalsContact OD1-OG1 3.14Å; T281-N351 PolarHBondContact N-ND2 3.36Å
282D92.2Very high95.2Very high35 Ų3552.2 Ų52.219%0.18727%0.266CS..  trans-72.5145.7-171.3-73.830.4000111.5V276 N277 N279 N351 Q355V276-D282 HydrophobicContact CG1-CB 4.01Å; N277-D282 WeakPolarHBondContact CB-OD2 3.13Å; N277-D282 PolarHBondContact N-OD2 2.66Å; N277-D282 PolarHBondContact ND2-OD2 2.73Å; N279-D282 PolarHBondContact ND2-OD1 2.82Å; N279-D282 WeakPolarHBondContact OD1-CB 3.36Å; N279-D282 PolarHBondContact OD1-N 2.82Å; N279-D282 PolarHBondContact OD1-OD1 2.92Å; N279-D282 VanDerWaalsContact OD1-OD1 3.08Å; D282-N351 PolarHBondContact O-ND2 2.86Å; D282-Q355 PolarHBondContact O-NE2 2.99Å
283L94.2Very high95.2Very high103 Ų10351.9 Ų51.954%0.53928%0.277SS..  trans-102.3117.2-178.2-59.5-179.5000110.7P286 Y287L283-P286 HydrophobicContact CB-CG 4.01Å; L283-Y287 WeakPolarHBondContact O-CE2 3.45Å
284M94.8Very high95.2Very high0 Ų050.2 Ų50.20%027%0.269CS..  trans-86.2-35.7172.9-163.674.273.900111.6V256 I274 V276 Y287 F288 R315 T318 F352V256-M284 HydrophobicContact CG1-CE 3.58Å; V256-M284 HydrophobicContact CG1-SD 3.63Å; I274-M284 HydrophobicContact CG2-SD 4.1Å; V276-M284 HydrophobicContact CB-CE 4.29Å; V276-M284 HydrophobicContact CB-SD 4.3Å; V276-M284 HydrophobicContact CG1-CE 3.64Å; V276-M284 HydrophobicContact CG1-SD 4.12Å; V276-M284 HydrophobicContact CG2-SD 4.24Å; M284-Y287 PolarHBondContact O-N 2.77Å; M284-F288 HydrophobicContact CB-CE1 4.12Å; M284-F288 HydrophobicContact CG-CD1 4.32Å; M284-F288 HydrophobicContact CG-CE1 3.58Å; M284-F288 HydrophobicContact CG-CZ 4.38Å; M284-R315 HydrophobicContact CE-CB 3.98Å; M284-R315 HydrophobicContact CE-CG 3.82Å; M284-T318 HydrophobicContact CG-CG2 4.26Å; M284-F352 HydrophobicContact CB-CD1 4.16Å; M284-F352 HydrophobicContact CB-CE1 4.12Å; M284-F352 HydrophobicContact CE-CE1 4.07Å; M284-F352 HydrophobicContact CE-CE2 4.03Å; M284-F352 HydrophobicContact CE-CZ 3.78Å
285T95.5Very high95.3Very high33 Ų3350.2 Ų50.220%0.20227%0.269CS..G310 helixtrans-51.3-40.5-175.4-480000115Y287 F288 Q355T285-Y287 PolarHBondContact O-N 3.5Å; T285-Y287 VanDerWaalsContact O-N 3.15Å; T285-F288 HydrophobicContact CG2-CD2 3.91Å; T285-F288 HydrophobicContact CG2-CE2 4.03Å; T285-F288 WeakPolarHBondContact O-CB 3.43Å; T285-F288 WeakPolarHBondContact O-CG 3.23Å; T285-F288 PolarHBondContact O-N 3.37Å; T285-F288 VanDerWaalsContact O-N 3.11Å; T285-Q355 PolarHBondContact OG1-OE1 3.23Å
286P96.5Very high95.4Very high86 Ų8650.1 Ų50.156%0.55826%0.263SS*.G310 helixtrans-57.1-30.3178.2-26.736.5000114.1L283L283-P286 HydrophobicContact CB-CG 4.01Å
287Y97.7Very high95.5Very high74 Ų7453.8 Ų53.829%0.2929%0.289SS..G310 helixtrans-85.6-8.5-177.7-56.8-81.2000113.7I274 V276 L283 M284 T285 K289 D290 A291I274-Y287 HydrophobicContact CG1-CD1 4.39Å; I274-Y287 HydrophobicContact CG1-CG 4.37Å; I274-Y287 HydrophobicContact CG2-CD1 4.01Å; I274-Y287 HydrophobicContact CG2-CD2 3.69Å; I274-Y287 HydrophobicContact CG2-CE1 4.44Å; I274-Y287 HydrophobicContact CG2-CE2 4.16Å; I274-Y287 HydrophobicContact CG2-CG 3.6Å; V276-Y287 HydrophobicContact CG2-CD2 3.97Å; V276-Y287 HydrophobicContact CG2-CE2 3.56Å; L283-Y287 WeakPolarHBondContact O-CE2 3.45Å; M284-Y287 PolarHBondContact O-N 2.77Å; T285-Y287 PolarHBondContact O-N 3.5Å; T285-Y287 VanDerWaalsContact O-N 3.15Å; Y287-K289 PolarHBondContact O-N 2.83Å; Y287-D290 PolarHBondContact O-N 2.8Å; Y287-A291 VanDerWaalsContact O-CB 3.24Å; Y287-A291 WeakPolarHBondContact O-CB 3.27Å; Y287-A291 PolarHBondContact O-N 2.87Å
288F97.7Very high95.7Very high5 Ų551 Ų512%0.02227%0.274CS..Hα-helixtrans-59.1-42.3-175-73.5-8000112.8M284 T285 D290 F292 L319 A322 L356 F359M284-F288 HydrophobicContact CB-CE1 4.12Å; M284-F288 HydrophobicContact CG-CD1 4.32Å; M284-F288 HydrophobicContact CG-CE1 3.58Å; M284-F288 HydrophobicContact CG-CZ 4.38Å; T285-F288 HydrophobicContact CG2-CD2 3.91Å; T285-F288 HydrophobicContact CG2-CE2 4.03Å; T285-F288 WeakPolarHBondContact O-CB 3.43Å; T285-F288 WeakPolarHBondContact O-CG 3.23Å; T285-F288 PolarHBondContact O-N 3.37Å; T285-F288 VanDerWaalsContact O-N 3.11Å; F288-D290 PolarHBondContact O-N 3.13Å; F288-F292 HydrophobicContact CB-CE1 4.24Å; F288-F292 HydrophobicContact CB-CE2 3.86Å; F288-F292 HydrophobicContact CB-CZ 3.68Å; F288-F292 HydrophobicContact CD1-CZ 4.42Å; F288-F292 HydrophobicContact CD2-CZ 4.31Å; F288-F292 HydrophobicContact CG-CE1 4.47Å; F288-F292 HydrophobicContact CG-CE2 4.5Å; F288-F292 AromaticContact CG-CZ 3.92Å; F288-F292 HydrophobicContact CG-CZ 3.92Å; F288-F292 WeakPolarHBondContact O-CB 3.46Å; F288-F292 VanDerWaalsContact O-CD1 3.25Å; F288-F292 WeakPolarHBondContact O-CD1 3.49Å; F288-F292 VanDerWaalsContact O-CD2 3.27Å; F288-F292 WeakPolarHBondContact O-CD2 3.21Å; F288-F292 WeakPolarHBondContact O-CG 3.28Å; F288-F292 PolarHBondContact O-N 2.83Å; F288-L319 HydrophobicContact CD1-CD1 3.65Å; F288-L319 HydrophobicContact CE1-CD1 3.93Å; F288-A322 HydrophobicContact CD1-CB 4.15Å; F288-A322 HydrophobicContact CD2-CB 4.13Å; F288-A322 HydrophobicContact CE1-CB 3.7Å; F288-A322 HydrophobicContact CE2-CB 3.72Å; F288-A322 HydrophobicContact CG-CB 4.35Å; F288-A322 HydrophobicContact CZ-CB 3.49Å; F288-A322 VanDerWaalsContact CZ-CB 3.49Å; F288-L356 HydrophobicContact CZ-CD2 4.31Å; F288-F359 HydrophobicContact CD2-CB 4.46Å; F288-F359 AromaticContact CD2-CD1 3.96Å; F288-F359 HydrophobicContact CD2-CD1 3.96Å; F288-F359 AromaticContact CD2-CD2 3.84Å; F288-F359 HydrophobicContact CD2-CD2 3.84Å; F288-F359 HydrophobicContact CD2-CE1 4.16Å; F288-F359 HydrophobicContact CD2-CE2 4.06Å; F288-F359 AromaticContact CD2-CG 3.81Å; F288-F359 HydrophobicContact CD2-CG 3.81Å; F288-F359 HydrophobicContact CD2-CZ 4.23Å; F288-F359 HydrophobicContact CE2-CB 3.95Å; F288-F359 AromaticContact CE2-CD1 3.81Å; F288-F359 HydrophobicContact CE2-CD1 3.81Å; F288-F359 HydrophobicContact CE2-CD2 4.19Å; F288-F359 HydrophobicContact CE2-CE1 4.4Å; F288-F359 AromaticContact CE2-CG 3.7Å; F288-F359 HydrophobicContact CE2-CG 3.7Å
289K96.8Very high95.8Very high103 Ų10351.4 Ų51.445%0.44827%0.273SS..Hα-helixtrans-57.5-51.5-179.9-175-177.9179.9179.80111.6Y287 F292 A293 I373 P374Y287-K289 PolarHBondContact O-N 2.83Å; K289-F292 PolarHBondContact O-N 3.3Å; K289-A293 PolarHBondContact O-N 3.2Å; K289-I373 HydrophobicContact CD-CG2 4.39Å; K289-P374 PolarHBondContact NZ-O 2.86Å
290D97.8Very high96.3Very high88 Ų8853.1 Ų53.147%0.47129%0.292SS..Hα-helixtrans-73.6-38.1-174.6-63.7-5.7000111.3Y272 Y287 F288 F292 A293 F294Y272-D290 WeakPolarHBondContact OH-CB 3.41Å; Y287-D290 PolarHBondContact O-N 2.8Å; F288-D290 PolarHBondContact O-N 3.13Å; D290-F292 PolarHBondContact O-N 3.47Å; D290-A293 PolarHBondContact O-N 3.22Å; D290-F294 PolarHBondContact O-N 3.14Å
291A98.5Very high96.8Very high0 Ų051 Ų510%030%0.299CS..Hα-helixtrans-58.5-46172.400000112.3L254 I274 Y287 F294 I295 L319L254-A291 HydrophobicContact CD1-CB 4.26Å; I274-A291 HydrophobicContact CD1-CB 3.93Å; Y287-A291 VanDerWaalsContact O-CB 3.24Å; Y287-A291 WeakPolarHBondContact O-CB 3.27Å; Y287-A291 PolarHBondContact O-N 2.87Å; A291-F294 PolarHBondContact O-N 3.16Å; A291-I295 WeakPolarHBondContact O-CD1 3.47Å; A291-I295 VanDerWaalsContact O-CG1 3.23Å; A291-I295 WeakPolarHBondContact O-CG1 3.34Å; A291-I295 PolarHBondContact O-N 3.28Å; A291-L319 HydrophobicContact CB-CD1 3.75Å; A291-L319 HydrophobicContact CB-CD2 4.04Å; A291-L319 HydrophobicContact CB-CG 4.31Å
292F98.5Very high97.1Very high10 Ų1055.6 Ų55.64%0.04431%0.314CS..Hα-helixtrans-69.2-36.5179.1-56.9-14.3000111.4F288 K289 D290 I295 E296 L319 A322 Y323 Y326 F359F288-F292 HydrophobicContact CB-CE1 4.24Å; F288-F292 HydrophobicContact CB-CE2 3.86Å; F288-F292 HydrophobicContact CB-CZ 3.68Å; F288-F292 HydrophobicContact CD1-CZ 4.42Å; F288-F292 HydrophobicContact CD2-CZ 4.31Å; F288-F292 HydrophobicContact CG-CE1 4.47Å; F288-F292 HydrophobicContact CG-CE2 4.5Å; F288-F292 AromaticContact CG-CZ 3.92Å; F288-F292 HydrophobicContact CG-CZ 3.92Å; F288-F292 WeakPolarHBondContact O-CB 3.46Å; F288-F292 VanDerWaalsContact O-CD1 3.25Å; F288-F292 WeakPolarHBondContact O-CD1 3.49Å; F288-F292 VanDerWaalsContact O-CD2 3.27Å; F288-F292 WeakPolarHBondContact O-CD2 3.21Å; F288-F292 WeakPolarHBondContact O-CG 3.28Å; F288-F292 PolarHBondContact O-N 2.83Å; K289-F292 PolarHBondContact O-N 3.3Å; D290-F292 PolarHBondContact O-N 3.47Å; F292-I295 PolarHBondContact O-N 3.29Å; F292-E296 WeakPolarHBondContact O-CB 3.24Å; F292-E296 WeakPolarHBondContact O-CG 3.4Å; F292-E296 PolarHBondContact O-N 3.09Å; F292-L319 HydrophobicContact CE1-CD1 4.32Å; F292-A322 HydrophobicContact CE1-CB 4.17Å; F292-A322 HydrophobicContact CZ-CB 3.83Å; F292-Y323 HydrophobicContact CB-CD2 4.27Å; F292-Y323 AromaticContact CD1-CD2 3.69Å; F292-Y323 HydrophobicContact CD1-CD2 3.69Å; F292-Y323 HydrophobicContact CD1-CG 4.26Å; F292-Y323 HydrophobicContact CE1-CD2 4.35Å; F292-Y323 HydrophobicContact CG-CD2 4.07Å; F292-Y326 HydrophobicContact CB-CD1 4.12Å; F292-Y326 HydrophobicContact CB-CE1 4.05Å; F292-Y326 AromaticContact CD2-CD1 3.48Å; F292-Y326 HydrophobicContact CD2-CD1 3.48Å; F292-Y326 VanDerWaalsContact CD2-CD1 3.48Å; F292-Y326 HydrophobicContact CD2-CD2 4.08Å; F292-Y326 AromaticContact CD2-CE1 3.99Å; F292-Y326 HydrophobicContact CD2-CE1 3.99Å; F292-Y326 AromaticContact CD2-CG 3.53Å; F292-Y326 HydrophobicContact CD2-CG 3.53Å; F292-Y326 HydrophobicContact CE2-CD1 4.09Å; F292-Y326 HydrophobicContact CE2-CD2 4.27Å; F292-Y326 AromaticContact CE2-CG 3.72Å; F292-Y326 HydrophobicContact CE2-CG 3.72Å; F292-Y326 AromaticContact CG-CD1 3.91Å; F292-Y326 HydrophobicContact CG-CD1 3.91Å; F292-Y326 HydrophobicContact CG-CE1 4.32Å; F292-Y326 HydrophobicContact CG-CG 4.38Å; F292-F359 HydrophobicContact CE2-CE1 4.18Å; F292-F359 AromaticContact CE2-CZ 3.73Å; F292-F359 HydrophobicContact CE2-CZ 3.73Å; F292-F359 HydrophobicContact CZ-CE1 4.14Å; F292-F359 HydrophobicContact CZ-CZ 4.13Å
293A98.2Very high97.4Very high59 Ų5954.2 Ų54.249%0.48831%0.308SS..Hα-helixtrans-61.9-42173.300000112K289 D290 S297K289-A293 PolarHBondContact O-N 3.2Å; D290-A293 PolarHBondContact O-N 3.22Å; A293-S297 WeakPolarHBondContact O-CB 3.16Å; A293-S297 PolarHBondContact O-N 2.79Å
294F98.5Very high97.6Very high31 Ų3152.8 Ų52.814%0.13630%0.296CS..Hα-helixtrans-61.8-45173.6-179.6-99.4000112.1H252 I253 L254 N270 Y272 D290 A291 S297 A298 V305H252-F294 HydrophobicContact CB-CE1 4.17Å; H252-F294 HydrophobicContact CB-CZ 3.97Å; I253-F294 WeakPolarHBondContact O-CZ 3.44Å; L254-F294 HydrophobicContact CB-CD1 4.3Å; L254-F294 HydrophobicContact CB-CE1 3.99Å; L254-F294 HydrophobicContact CD1-CD1 4.04Å; L254-F294 HydrophobicContact CG-CD1 4.07Å; L254-F294 HydrophobicContact CG-CE1 4.2Å; N270-F294 WeakPolarHBondContact O-CZ 3.32Å; Y272-F294 HydrophobicContact CG-CD2 4.34Å; Y272-F294 HydrophobicContact CG-CG 4.44Å; D290-F294 PolarHBondContact O-N 3.14Å; A291-F294 PolarHBondContact O-N 3.16Å; F294-S297 PolarHBondContact O-N 2.87Å; F294-A298 WeakPolarHBondContact O-CB 3.28Å; F294-A298 PolarHBondContact O-N 3.08Å; F294-V305 HydrophobicContact CD1-CG1 4.48Å; F294-V305 HydrophobicContact CE1-CG1 4.05Å
295I98.6Very high97.8Very high0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-66.6-44.3179.4-62.5158.3000111.7L231 L254 A291 F292 K299 V305 I307 Y323L231-I295 HydrophobicContact CD1-CD1 4.43Å; L231-I295 HydrophobicContact CD1-CG2 4.18Å; L254-I295 HydrophobicContact CD1-CD1 4.07Å; L254-I295 HydrophobicContact CD1-CG1 4.07Å; A291-I295 WeakPolarHBondContact O-CD1 3.47Å; A291-I295 VanDerWaalsContact O-CG1 3.23Å; A291-I295 WeakPolarHBondContact O-CG1 3.34Å; A291-I295 PolarHBondContact O-N 3.28Å; F292-I295 PolarHBondContact O-N 3.29Å; I295-K299 WeakPolarHBondContact O-CB 3.31Å; I295-K299 PolarHBondContact O-N 3.44Å; I295-V305 HydrophobicContact CG1-CG1 4.49Å; I295-I307 HydrophobicContact CD1-CD1 3.82Å; I295-Y323 HydrophobicContact CB-CD2 4.29Å; I295-Y323 HydrophobicContact CB-CE2 3.99Å; I295-Y323 HydrophobicContact CD1-CD2 3.86Å; I295-Y323 HydrophobicContact CD1-CE2 4.41Å; I295-Y323 HydrophobicContact CD1-CG 3.98Å; I295-Y323 HydrophobicContact CG2-CD1 4.42Å; I295-Y323 HydrophobicContact CG2-CD2 4.12Å; I295-Y323 HydrophobicContact CG2-CE1 3.9Å; I295-Y323 HydrophobicContact CG2-CE2 3.58Å; I295-Y323 VanDerWaalsContact CG2-CZ 3.46Å
296E98.3Very high97.9Very high59 Ų5951.2 Ų51.228%0.27629%0.286SS..Hα-helixtrans-67-36.5176.9-71.3-62.1127.300112.2F292 K299 A300 Y323F292-E296 WeakPolarHBondContact O-CB 3.24Å; F292-E296 WeakPolarHBondContact O-CG 3.4Å; F292-E296 PolarHBondContact O-N 3.09Å; E296-K299 PolarHBondContact O-N 2.82Å; E296-K299 WeakPolarHBondContact OE1-CD 3.45Å; E296-K299 IonicContact OE1-NZ 2.67Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 WeakPolarHBondContact OE2-CD 3.42Å; E296-K299 IonicContact OE2-NZ 3.64Å; E296-K299 PolarHBondContact OE2-NZ 3.03Å; E296-A300 VanDerWaalsContact O-CB 3.3Å; E296-A300 WeakPolarHBondContact O-CB 3.37Å; E296-A300 PolarHBondContact O-N 3.25Å; E296-Y323 HydrophobicContact CG-CE2 4.45Å; E296-Y323 WeakPolarHBondContact OE1-CE2 3.46Å; E296-Y323 PolarHBondContact OE1-OH 3.21Å
297S98Very high98Very high78 Ų7847.2 Ų47.255%0.54526%0.26SS..Hα-helixtrans-62.4-50.9174.1-177.10000111.6A293 F294 K299 A300 A301A293-S297 WeakPolarHBondContact O-CB 3.16Å; A293-S297 PolarHBondContact O-N 2.79Å; F294-S297 PolarHBondContact O-N 2.87Å; S297-K299 VanDerWaalsContact C-N 3.33Å; S297-K299 PolarHBondContact O-N 3.03Å; S297-A300 PolarHBondContact O-N 2.97Å; S297-A301 PolarHBondContact O-N 2.71Å
298A98.2Very high98Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-59-43.5176.700000112.2H252 F294 A301 H302 G303 V305H252-A298 HydrophobicContact CB-CB 4.18Å; F294-A298 WeakPolarHBondContact O-CB 3.28Å; F294-A298 PolarHBondContact O-N 3.08Å; A298-A301 CarbonylContact O-C 3.54Å; A298-A301 PolarHBondContact O-N 2.78Å; A298-H302 PolarHBondContact O-N 2.82Å; A298-G303 VanDerWaalsContact O-CA 3.3Å; A298-G303 WeakPolarHBondContact O-CA 3.18Å; A298-G303 PolarHBondContact O-N 3.39Å; A298-V305 HydrophobicContact CB-CG2 3.42Å; A298-V305 VanDerWaalsContact CB-CG2 3.42Å
299K97.9Very high98Very high75 Ų7543.8 Ų43.833%0.32625%0.247SC..Hα-helixtrans-61.8-42175.3173.4-162.2-178.6-1690112.5H230 I295 E296 S297 A301 H302H230-K299 HydrophobicContact CB-CB 4.19Å; H230-K299 HydrophobicContact CB-CG 4.22Å; I295-K299 WeakPolarHBondContact O-CB 3.31Å; I295-K299 PolarHBondContact O-N 3.44Å; E296-K299 PolarHBondContact O-N 2.82Å; E296-K299 WeakPolarHBondContact OE1-CD 3.45Å; E296-K299 IonicContact OE1-NZ 2.67Å; E296-K299 PolarHBondContact OE1-NZ 2.91Å; E296-K299 WeakPolarHBondContact OE2-CD 3.42Å; E296-K299 IonicContact OE2-NZ 3.64Å; E296-K299 PolarHBondContact OE2-NZ 3.03Å; S297-K299 VanDerWaalsContact C-N 3.33Å; S297-K299 PolarHBondContact O-N 3.03Å; K299-A301 VanDerWaalsContact C-N 3.31Å; K299-A301 PolarHBondContact O-N 3.12Å; K299-H302 WeakPolarHBondContact O-CA 3.41Å; K299-H302 PolarHBondContact O-N 3.48Å
300A97.8Very high97.9Very high77 Ų7741.8 Ų41.864%0.63625%0.246SC*.Hα-helixtrans-65.5-34.317600000112.1E296 S297 H302E296-A300 VanDerWaalsContact O-CB 3.3Å; E296-A300 WeakPolarHBondContact O-CB 3.37Å; E296-A300 PolarHBondContact O-N 3.25Å; S297-A300 PolarHBondContact O-N 2.97Å; A300-H302 PolarHBondContact O-N 2.81Å
301A97Very high97.7Very high72 Ų7239.9 Ų39.960%0.59524%0.243SC*.THydrogen-bonded Turntrans-76.311.3170.500000114.2S297 A298 K299 G303S297-A301 PolarHBondContact O-N 2.71Å; A298-A301 CarbonylContact O-C 3.54Å; A298-A301 PolarHBondContact O-N 2.78Å; K299-A301 VanDerWaalsContact C-N 3.31Å; K299-A301 PolarHBondContact O-N 3.12Å; A301-G303 PolarHBondContact O-N 3.17Å; A301-G303 VanDerWaalsContact O-N 3.12Å
302H96.8Very high97.6Very high179 Ų17939.9 Ų39.983%0.82924%0.243SC*.THydrogen-bonded Turntrans55.920.1-172.9-56.5-45.1000114.9A298 K299 A300A298-H302 PolarHBondContact O-N 2.82Å; K299-H302 WeakPolarHBondContact O-CA 3.41Å; K299-H302 PolarHBondContact O-N 3.48Å; A300-H302 PolarHBondContact O-N 2.81Å
303G97.6Very high97.5Very high7 Ų742.7 Ų42.77%0.07226%0.257CS..  trans-78.6170174.100000113.2T251 A298 A301T251-G303 WeakPolarHBondContact OG1-CA 3.36Å; A298-G303 VanDerWaalsContact O-CA 3.3Å; A298-G303 WeakPolarHBondContact O-CA 3.18Å; A298-G303 PolarHBondContact O-N 3.39Å; A301-G303 PolarHBondContact O-N 3.17Å; A301-G303 VanDerWaalsContact O-N 3.12Å
304R98.4Very high97.4Very high73 Ų7340.2 Ų40.228%0.27524%0.236SC..  trans-121.3136.1168.9-51-163.4-81.5-161.7-6.8110.4P229 H230 I232 Y248 G249 T251 H252P229-R304 WeakPolarHBondContact O-CD 3.22Å; H230-R304 WeakPolarHBondContact O-CA 3.47Å; I232-R304 HydrophobicContact CD1-CB 4.16Å; Y248-R304 PolarHBondContact O-NE 3.03Å; Y248-R304 PolarHBondContact O-NH2 3.3Å; G249-R304 PolarHBondContact O-NE 3.38Å; G249-R304 VanDerWaalsContact O-NE 3.12Å; T251-R304 PolarHBondContact N-O 3.31Å; T251-R304 PolarHBondContact OG1-N 3.08Å; T251-R304 PolarHBondContact OG1-O 3.23Å; H252-R304 PolarHBondContact N-O 3.22Å; H252-R304 VanDerWaalsContact N-O 3.13Å
305V98.7Very high97.4Very high0 Ų040.2 Ų40.20%024%0.235CC..EExtended strand (participates in β ladder)trans-100.9130.8178.9-1740000109.3H230 I232 H252 L254 F294 I295 A298 I307H230-V305 PolarHBondContact O-N 3.42Å; I232-V305 PolarHBondContact N-O 3.29Å; H252-V305 HydrophobicContact CB-CG2 4.06Å; H252-V305 WeakPolarHBondContact O-CA 3.46Å; L254-V305 HydrophobicContact CB-CG1 3.98Å; F294-V305 HydrophobicContact CD1-CG1 4.48Å; F294-V305 HydrophobicContact CE1-CG1 4.05Å; I295-V305 HydrophobicContact CG1-CG1 4.49Å; A298-V305 HydrophobicContact CB-CG2 3.42Å; A298-V305 VanDerWaalsContact CB-CG2 3.42Å; V305-I307 HydrophobicContact CG1-CG1 4.22Å
306L98.6Very high97.4Very high0 Ų040.2 Ų40.20%024%0.235CC..EExtended strand (participates in β ladder)trans-92.7115.4158.8175.667.7000108.6P224 I232 D238 A239 I250 H252 I253 L254 H308P224-L306 HydrophobicContact CB-CD1 4.28Å; I232-L306 HydrophobicContact CB-CD1 4.32Å; I232-L306 HydrophobicContact CG2-CD1 3.84Å; I232-L306 CarbonylContact O-C 3.54Å; I232-L306 WeakPolarHBondContact O-CA 3.49Å; D238-L306 HydrophobicContact CB-CD2 4.18Å; A239-L306 HydrophobicContact CB-CD2 3.73Å; I250-L306 HydrophobicContact CD1-CB 3.84Å; I250-L306 HydrophobicContact CD1-CD1 4.3Å; I250-L306 HydrophobicContact CD1-CD2 4.12Å; I250-L306 HydrophobicContact CD1-CG 4.31Å; I250-L306 HydrophobicContact CG1-CB 4.12Å; I250-L306 HydrophobicContact CG2-CB 3.74Å; H252-L306 PolarHBondContact O-N 3.11Å; I253-L306 HydrophobicContact CG1-CB 4.44Å; L254-L306 PolarHBondContact N-O 3.12Å; L306-H308 HydrophobicContact CG-CB 4.4Å
307I98.5Very high97.4Very high1 Ų137.4 Ų37.41%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-88.3124.9162.3-47.4-173.2000107.8L231 I232 L233 G234 L254 V256 I295 V305 L319L231-I307 HydrophobicContact CD1-CD1 3.7Å; L231-I307 HydrophobicContact CD1-CG1 3.89Å; I232-I307 PolarHBondContact O-N 3.04Å; L233-I307 WeakPolarHBondContact CA-O 3.23Å; G234-I307 PolarHBondContact N-O 3.36Å; L254-I307 HydrophobicContact CB-CG1 4.19Å; L254-I307 HydrophobicContact CB-CG2 4.41Å; L254-I307 HydrophobicContact CD1-CD1 4.24Å; L254-I307 HydrophobicContact CD1-CG1 4.2Å; L254-I307 WeakPolarHBondContact O-CA 3.15Å; V256-I307 HydrophobicContact CG2-CG2 3.77Å; I295-I307 HydrophobicContact CD1-CD1 3.82Å; V305-I307 HydrophobicContact CG1-CG1 4.22Å; I307-L319 HydrophobicContact CD1-CD2 4.36Å; I307-L319 HydrophobicContact CD1-CG 4.31Å; I307-L319 HydrophobicContact CG2-CB 4.48Å; I307-L319 HydrophobicContact CG2-CD2 4.07Å
308H98.2Very high97.5Very high6 Ų633.7 Ų33.73%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-136.1165.5173.877.596.3000112G234 S235 A239 I253 L254 N255 V256 L306G234-H308 VanDerWaalsContact O-CA 3.31Å; G234-H308 WeakPolarHBondContact O-CA 3.24Å; G234-H308 VanDerWaalsContact O-CB 3.32Å; G234-H308 WeakPolarHBondContact O-CB 3.37Å; S235-H308 WeakPolarHBondContact O-CB 3.27Å; A239-H308 HydrophobicContact CB-CB 4.48Å; A239-H308 VanDerWaalsContact CB-CD2 3.49Å; A239-H308 WeakPolarHBondContact CB-CD2 3.25Å; I253-H308 WeakPolarHBondContact CG2-NE2 3.38Å; L254-H308 PolarHBondContact O-N 3.09Å; N255-H308 WeakPolarHBondContact CB-NE2 3.13Å; N255-H308 VanDerWaalsContact CG-CE1 3.5Å; N255-H308 PolarHBondContact OD1-CE1 3.41Å; V256-H308 PolarHBondContact N-O 2.93Å; L306-H308 HydrophobicContact CG-CB 4.4Å
309C97.1Very high97.5Very high1 Ų133.7 Ų33.71%0.00720%0.196CC..  trans-129.4-149158.665.80000106.3S235 Q236 V256 G312 R315 S316S235-C309 CarbonylContact C-O 3.59Å; Q236-C309 WeakPolarHBondContact CB-O 3.46Å; Q236-C309 PolarHBondContact N-O 2.95Å; V256-C309 HydrophobicContact CB-CB 4.38Å; V256-C309 WeakPolarHBondContact O-CB 3.33Å; C309-G312 PolarHBondContact SG-N 2.96Å; C309-G312 VanDerWaalsContact SG-N 3.35Å; C309-R315 HydrophobicContact CB-CB 3.76Å; C309-S316 PolarHBondContact N-OG 2.72Å
310S95Very high97.5Very high61 Ų6130.1 Ų30.143%0.42718%0.181SC..SBendtrans-61-70.1170.2175.70000112S235 Q236S235-S310 WeakPolarHBondContact CA-O 3.18Å; S235-S310 WeakPolarHBondContact CB-O 3.47Å; Q236-S310 PolarHBondContact N-O 3.06Å
311A93.6Very high97.6Very high49 Ų4926.5 Ų26.541%0.40515%0.151SC..SBendtrans-94.4-15.9-17400000115.7I313 R343A311-I313 HydrophobicContact CB-CB 4.48Å; A311-I313 HydrophobicContact CB-CD1 3.85Å; A311-I313 HydrophobicContact CB-CG1 4.01Å; A311-R343 PolarHBondContact O-NH2 3.49Å
312G95.9Very high97.6Very high0 Ų023 Ų230%012%0.122CC..SBendtrans70.637.8-173.600000114.1G234 C309 R343G234-G312 VanDerWaalsContact O-CA 3.22Å; G234-G312 WeakPolarHBondContact O-CA 3.38Å; C309-G312 PolarHBondContact SG-N 2.96Å; C309-G312 VanDerWaalsContact SG-N 3.35Å; G312-R343 PolarHBondContact O-NE 2.73Å
313I96Very high97.7Very high69 Ų6914.6 Ų14.635%0.3548%0.083SC..SBendtrans-114-45-173.9-69.5176.7000112.9A311 P317 A347A311-I313 HydrophobicContact CB-CB 4.48Å; A311-I313 HydrophobicContact CB-CD1 3.85Å; A311-I313 HydrophobicContact CB-CG1 4.01Å; I313-P317 WeakPolarHBondContact O-CG 3.3Å; I313-A347 HydrophobicContact CG2-CB 4.1Å; I313-A347 CarbonylContact O-C 3.58Å; I313-A347 VanDerWaalsContact O-C 3.29Å; I313-A347 PolarHBondContact O-N 2.98Å
314S97.6Very high97.8Very high6 Ų614.3 Ų14.34%0.0428%0.08CC..SBendtrans-122.2-66.3-172.8166.80000113.6D278 P317 T318 A347 N349D278-S314 WeakPolarHBondContact OD1-CB 3.16Å; D278-S314 PolarHBondContact OD1-OG 3.33Å; S314-P317 WeakPolarHBondContact O-CD 3.17Å; S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 3.25Å; S314-T318 PolarHBondContact O-OG1 2.83Å; S314-A347 WeakPolarHBondContact CB-O 3.38Å; S314-N349 PolarHBondContact OG-N 3.01Å; S314-N349 VanDerWaalsContact OG-N 3.11Å
315R98.6Very high97.8Very high31 Ų3110.9 Ų10.912%0.1177%0.067CC..Hα-helixtrans-55.5-59-179.5-80.2173-73.4-179.2-2.3115.3V256 S257 V276 D278 M284 C309 T318 L319 F352V256-R315 HydrophobicContact CB-CB 4.24Å; V256-R315 HydrophobicContact CG1-CB 3.84Å; V256-R315 HydrophobicContact CG1-CG 4.42Å; V256-R315 WeakPolarHBondContact O-CD 3.44Å; S257-R315 VanDerWaalsContact CB-NH1 3.34Å; V276-R315 HydrophobicContact CG1-CG 4.42Å; V276-R315 WeakPolarHBondContact O-CD 3.24Å; V276-R315 PolarHBondContact O-NH1 3.28Å; D278-R315 HydrophobicContact CB-CG 4.31Å; D278-R315 WeakPolarHBondContact OD2-CG 2.96Å; D278-R315 IonicContact OD2-CZ 3.37Å; D278-R315 PolarHBondContact OD2-N 2.9Å; D278-R315 IonicContact OD2-NE 3.83Å; D278-R315 PolarHBondContact OD2-NE 3.31Å; D278-R315 IonicContact OD2-NH2 2.65Å; M284-R315 HydrophobicContact CE-CB 3.98Å; M284-R315 HydrophobicContact CE-CG 3.82Å; C309-R315 HydrophobicContact CB-CB 3.76Å; R315-T318 WeakPolarHBondContact O-CB 3.44Å; R315-T318 PolarHBondContact O-N 3Å; R315-L319 PolarHBondContact O-N 3.06Å; R315-F352 HydrophobicContact CG-CE2 3.56Å; R315-F352 HydrophobicContact CG-CZ 3.98Å
316S98.4Very high97.7Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-68.5-35.9-178.9460000114.4C309 L319 A320C309-S316 PolarHBondContact N-OG 2.72Å; S316-L319 PolarHBondContact O-N 3.37Å; S316-A320 PolarHBondContact O-N 3.46Å
317P98.4Very high97.6Very high0 Ų016.6 Ų16.60%010%0.095CC..Hα-helixtrans-62.6-38.4170.7-28.339000113.6L233 I313 S314 L319 A320 I321 V339 V346L233-P317 HydrophobicContact CD1-CG 3.96Å; L233-P317 HydrophobicContact CD2-CB 4.3Å; L233-P317 HydrophobicContact CD2-CG 4Å; L233-P317 HydrophobicContact CG-CG 4.49Å; I313-P317 WeakPolarHBondContact O-CG 3.3Å; S314-P317 WeakPolarHBondContact O-CD 3.17Å; P317-L319 VanDerWaalsContact C-N 3.29Å; P317-L319 PolarHBondContact O-N 2.77Å; P317-A320 PolarHBondContact O-N 3.41Å; P317-I321 WeakPolarHBondContact O-CD1 3.47Å; P317-I321 WeakPolarHBondContact O-CG1 3.26Å; P317-I321 PolarHBondContact O-N 3.31Å; P317-V339 HydrophobicContact CB-CG1 4.19Å; P317-V346 HydrophobicContact CB-CB 4.38Å; P317-V346 HydrophobicContact CB-CG1 3.71Å; P317-V346 HydrophobicContact CB-CG2 3.9Å; P317-V346 HydrophobicContact CG-CG1 4.34Å; P317-V346 HydrophobicContact CG-CG2 3.8Å
318T98.6Very high97.5Very high0 Ų019.3 Ų19.30%011%0.114CC..Hα-helixtrans-53-49.3173.8-59.80000111M284 S314 R315 I321 A322 F352 L356M284-T318 HydrophobicContact CG-CG2 4.26Å; S314-T318 WeakPolarHBondContact O-CB 3.41Å; S314-T318 PolarHBondContact O-N 3.25Å; S314-T318 PolarHBondContact O-OG1 2.83Å; R315-T318 WeakPolarHBondContact O-CB 3.44Å; R315-T318 PolarHBondContact O-N 3Å; T318-I321 PolarHBondContact O-N 3.41Å; T318-A322 PolarHBondContact O-N 2.88Å; T318-F352 HydrophobicContact CG2-CB 3.74Å; T318-F352 HydrophobicContact CG2-CG 4.09Å; T318-F352 WeakPolarHBondContact OG1-CB 3.4Å; T318-L356 HydrophobicContact CG2-CD1 4.06Å; T318-L356 HydrophobicContact CG2-CD2 4.29Å; T318-L356 HydrophobicContact CG2-CG 4.08Å
319L98.6Very high97.3Very high0 Ų028.1 Ų28.10%015%0.147CC..Hα-helixtrans-68.6-35.4-178.8-169.261.1000112.7L254 V256 I274 F288 A291 F292 I307 R315 S316 P317 Y323L254-L319 HydrophobicContact CD1-CD2 3.83Å; L254-L319 HydrophobicContact CD2-CD2 3.76Å; L254-L319 HydrophobicContact CG-CD2 4.47Å; V256-L319 HydrophobicContact CG2-CD2 3.69Å; I274-L319 HydrophobicContact CD1-CD2 3.65Å; F288-L319 HydrophobicContact CD1-CD1 3.65Å; F288-L319 HydrophobicContact CE1-CD1 3.93Å; A291-L319 HydrophobicContact CB-CD1 3.75Å; A291-L319 HydrophobicContact CB-CD2 4.04Å; A291-L319 HydrophobicContact CB-CG 4.31Å; F292-L319 HydrophobicContact CE1-CD1 4.32Å; I307-L319 HydrophobicContact CD1-CD2 4.36Å; I307-L319 HydrophobicContact CD1-CG 4.31Å; I307-L319 HydrophobicContact CG2-CB 4.48Å; I307-L319 HydrophobicContact CG2-CD2 4.07Å; R315-L319 PolarHBondContact O-N 3.06Å; S316-L319 PolarHBondContact O-N 3.37Å; P317-L319 VanDerWaalsContact C-N 3.29Å; P317-L319 PolarHBondContact O-N 2.77Å; L319-Y323 WeakPolarHBondContact O-CB 3.19Å; L319-Y323 PolarHBondContact O-N 3.45Å
320A98.6Very high97.3Very high1 Ų130.9 Ų30.91%0.00816%0.16CC..Hα-helixtrans-65-42.8173.500000112.1S316 P317 Y323 L324 V339S316-A320 PolarHBondContact O-N 3.46Å; P317-A320 PolarHBondContact O-N 3.41Å; A320-Y323 PolarHBondContact O-N 2.92Å; A320-L324 WeakPolarHBondContact O-CG 3.38Å; A320-L324 PolarHBondContact O-N 2.96Å; A320-V339 HydrophobicContact CB-CG2 4.23Å
321I98.7Very high97.3Very high0 Ų032.2 Ų32.20%016%0.158CC..Hα-helixtrans-62.5-49.4176.2-66.5163.7000110P317 T318 Y323 L324 M325 A335 Y336 V339 P348 L356P317-I321 WeakPolarHBondContact O-CD1 3.47Å; P317-I321 WeakPolarHBondContact O-CG1 3.26Å; P317-I321 PolarHBondContact O-N 3.31Å; T318-I321 PolarHBondContact O-N 3.41Å; I321-Y323 VanDerWaalsContact C-N 3.29Å; I321-Y323 PolarHBondContact O-N 3.42Å; I321-L324 PolarHBondContact O-N 3.36Å; I321-L324 VanDerWaalsContact O-N 3.1Å; I321-M325 HydrophobicContact CG2-SD 4.06Å; I321-M325 WeakPolarHBondContact O-CG 3.33Å; I321-M325 PolarHBondContact O-N 3.46Å; I321-A335 HydrophobicContact CG2-CB 3.76Å; I321-Y336 HydrophobicContact CD1-CD2 3.79Å; I321-Y336 HydrophobicContact CD1-CG 4.42Å; I321-V339 HydrophobicContact CG1-CB 3.9Å; I321-V339 HydrophobicContact CG1-CG1 4.24Å; I321-V339 HydrophobicContact CG1-CG2 3.82Å; I321-P348 HydrophobicContact CD1-CG 4.09Å; I321-L356 HydrophobicContact CB-CD1 4.25Å; I321-L356 HydrophobicContact CB-CD2 4.4Å; I321-L356 HydrophobicContact CD1-CD1 4.45Å; I321-L356 HydrophobicContact CG2-CD1 3.92Å; I321-L356 HydrophobicContact CG2-CD2 4.08Å
322A98.6Very high97.5Very high0 Ų031.1 Ų31.10%015%0.145CC..Hα-helixtrans-57.2-42.3176.700000112.2F288 F292 T318 M325 Y326 L356 F359F288-A322 HydrophobicContact CD1-CB 4.15Å; F288-A322 HydrophobicContact CD2-CB 4.13Å; F288-A322 HydrophobicContact CE1-CB 3.7Å; F288-A322 HydrophobicContact CE2-CB 3.72Å; F288-A322 HydrophobicContact CG-CB 4.35Å; F288-A322 HydrophobicContact CZ-CB 3.49Å; F288-A322 VanDerWaalsContact CZ-CB 3.49Å; F292-A322 HydrophobicContact CE1-CB 4.17Å; F292-A322 HydrophobicContact CZ-CB 3.83Å; T318-A322 PolarHBondContact O-N 2.88Å; A322-M325 PolarHBondContact O-N 3.05Å; A322-Y326 PolarHBondContact O-N 3.22Å; A322-L356 HydrophobicContact CB-CD2 3.69Å; A322-F359 HydrophobicContact CB-CD1 4.25Å; A322-F359 HydrophobicContact CB-CE1 4.24Å
323Y98.6Very high97.4Very high1 Ų135.6 Ų35.60%0.00417%0.166CC..Hα-helixtrans-67.2-34.4176.9175.3-97.9000112.9L228 H230 L231 F292 I295 E296 L319 A320 I321 S327L228-Y323 HydrophobicContact CD1-CE1 4Å; H230-Y323 AromaticContact NE2-CE1 3.68Å; H230-Y323 AromaticContact NE2-CZ 3.64Å; H230-Y323 PolarHBondContact NE2-OH 3.11Å; L231-Y323 HydrophobicContact CD2-CD1 3.63Å; L231-Y323 HydrophobicContact CD2-CE1 3.99Å; F292-Y323 HydrophobicContact CB-CD2 4.27Å; F292-Y323 AromaticContact CD1-CD2 3.69Å; F292-Y323 HydrophobicContact CD1-CD2 3.69Å; F292-Y323 HydrophobicContact CD1-CG 4.26Å; F292-Y323 HydrophobicContact CE1-CD2 4.35Å; F292-Y323 HydrophobicContact CG-CD2 4.07Å; I295-Y323 HydrophobicContact CB-CD2 4.29Å; I295-Y323 HydrophobicContact CB-CE2 3.99Å; I295-Y323 HydrophobicContact CD1-CD2 3.86Å; I295-Y323 HydrophobicContact CD1-CE2 4.41Å; I295-Y323 HydrophobicContact CD1-CG 3.98Å; I295-Y323 HydrophobicContact CG2-CD1 4.42Å; I295-Y323 HydrophobicContact CG2-CD2 4.12Å; I295-Y323 HydrophobicContact CG2-CE1 3.9Å; I295-Y323 HydrophobicContact CG2-CE2 3.58Å; I295-Y323 VanDerWaalsContact CG2-CZ 3.46Å; E296-Y323 HydrophobicContact CG-CE2 4.45Å; E296-Y323 WeakPolarHBondContact OE1-CE2 3.46Å; E296-Y323 PolarHBondContact OE1-OH 3.21Å; L319-Y323 WeakPolarHBondContact O-CB 3.19Å; L319-Y323 PolarHBondContact O-N 3.45Å; A320-Y323 PolarHBondContact O-N 2.92Å; I321-Y323 VanDerWaalsContact C-N 3.29Å; I321-Y323 PolarHBondContact O-N 3.42Å; Y323-S327 WeakPolarHBondContact CE1-OG 3.27Å; Y323-S327 VanDerWaalsContact O-CB 3.23Å; Y323-S327 WeakPolarHBondContact O-CB 3.45Å; Y323-S327 PolarHBondContact O-N 3.2Å; Y323-S327 PolarHBondContact O-OG 3.46Å
324L98.3Very high97.5Very high1 Ų135.9 Ų35.91%0.00517%0.166CC..Hα-helixtrans-66.8-42.7171.8-71.6-173.4000112I227 L228 A320 I321 Y326 C328 M330 A335 V338 V339I227-L324 HydrophobicContact CG2-CD1 4.03Å; I227-L324 HydrophobicContact CG2-CD2 4.34Å; I227-L324 HydrophobicContact CG2-CG 4.47Å; L228-L324 HydrophobicContact CD1-CD2 3.65Å; L228-L324 HydrophobicContact CD2-CD2 4.25Å; L228-L324 HydrophobicContact CG-CD2 3.96Å; A320-L324 WeakPolarHBondContact O-CG 3.38Å; A320-L324 PolarHBondContact O-N 2.96Å; I321-L324 PolarHBondContact O-N 3.36Å; I321-L324 VanDerWaalsContact O-N 3.1Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.05Å; L324-C328 WeakPolarHBondContact O-CA 3.34Å; L324-C328 VanDerWaalsContact O-CB 3.25Å; L324-C328 WeakPolarHBondContact O-CB 3.4Å; L324-C328 PolarHBondContact O-N 3.03Å; L324-M330 HydrophobicContact CB-SD 4.13Å; L324-M330 HydrophobicContact CD1-SD 4.31Å; L324-A335 HydrophobicContact CB-CB 3.73Å; L324-A335 HydrophobicContact CD1-CB 4.33Å; L324-V338 HydrophobicContact CD1-CB 3.93Å; L324-V338 HydrophobicContact CD1-CG1 3.61Å; L324-V339 HydrophobicContact CD1-CG2 3.71Å
325M98.2Very high97.5Very high1 Ų135.6 Ų35.61%0.00516%0.164CC..Hα-helixtrans-58.2-47.2176.1-63.6162.760.800111.1I321 A322 R329 M330 M332 A335 L356 F359 E360 L363I321-M325 HydrophobicContact CG2-SD 4.06Å; I321-M325 WeakPolarHBondContact O-CG 3.33Å; I321-M325 PolarHBondContact O-N 3.46Å; A322-M325 PolarHBondContact O-N 3.05Å; M325-R329 VanDerWaalsContact O-CA 3.26Å; M325-R329 WeakPolarHBondContact O-CA 3.42Å; M325-R329 PolarHBondContact O-N 3Å; M325-M330 WeakPolarHBondContact CA-O 3.06Å; M325-M332 HydrophobicContact CE-CB 3.98Å; M325-M332 HydrophobicContact CE-CG 4.33Å; M325-M332 HydrophobicContact SD-CB 4.02Å; M325-M332 HydrophobicContact SD-CG 4.02Å; M325-A335 HydrophobicContact CG-CB 3.69Å; M325-L356 WeakPolarHBondContact CE-O 3.43Å; M325-L356 HydrophobicContact SD-CD2 4.05Å; M325-F359 HydrophobicContact CB-CE1 4.5Å; M325-F359 HydrophobicContact CE-CD1 3.96Å; M325-F359 HydrophobicContact SD-CD1 4.46Å; M325-E360 HydrophobicContact CE-CB 3.61Å; M325-E360 HydrophobicContact CE-CG 4.21Å; M325-L363 HydrophobicContact CB-CD1 3.81Å; M325-L363 HydrophobicContact CE-CD1 4.4Å
326Y97.6Very high97.5Very high81 Ų8136.9 Ų36.932%0.31817%0.169SC..Hα-helixtrans-64.7-57.3176.6171.7-106.3000113.1F292 A322 L324 L363 I373F292-Y326 HydrophobicContact CB-CD1 4.12Å; F292-Y326 HydrophobicContact CB-CE1 4.05Å; F292-Y326 AromaticContact CD2-CD1 3.48Å; F292-Y326 HydrophobicContact CD2-CD1 3.48Å; F292-Y326 VanDerWaalsContact CD2-CD1 3.48Å; F292-Y326 HydrophobicContact CD2-CD2 4.08Å; F292-Y326 AromaticContact CD2-CE1 3.99Å; F292-Y326 HydrophobicContact CD2-CE1 3.99Å; F292-Y326 AromaticContact CD2-CG 3.53Å; F292-Y326 HydrophobicContact CD2-CG 3.53Å; F292-Y326 HydrophobicContact CE2-CD1 4.09Å; F292-Y326 HydrophobicContact CE2-CD2 4.27Å; F292-Y326 AromaticContact CE2-CG 3.72Å; F292-Y326 HydrophobicContact CE2-CG 3.72Å; F292-Y326 AromaticContact CG-CD1 3.91Å; F292-Y326 HydrophobicContact CG-CD1 3.91Å; F292-Y326 HydrophobicContact CG-CE1 4.32Å; F292-Y326 HydrophobicContact CG-CG 4.38Å; A322-Y326 PolarHBondContact O-N 3.22Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Y326 PolarHBondContact O-N 3.05Å; Y326-L363 HydrophobicContact CD2-CD2 4.33Å; Y326-I373 HydrophobicContact CE2-CD1 4.19Å
327S97Very high97.4Very high40 Ų4041.6 Ų41.628%0.2819%0.194SC..Hα-helixtrans-81.9-28.1-168.167.20000114.3Y323Y323-S327 WeakPolarHBondContact CE1-OG 3.27Å; Y323-S327 VanDerWaalsContact O-CB 3.23Å; Y323-S327 WeakPolarHBondContact O-CB 3.45Å; Y323-S327 PolarHBondContact O-N 3.2Å; Y323-S327 PolarHBondContact O-OG 3.46Å
328C95.2Very high97.3Very high57 Ų5744 Ų4439%0.38521%0.209SC..Hα-helixtrans-111.51.4-176.5-620000113L324 M330L324-C328 WeakPolarHBondContact O-CA 3.34Å; L324-C328 VanDerWaalsContact O-CB 3.25Å; L324-C328 WeakPolarHBondContact O-CB 3.4Å; L324-C328 PolarHBondContact O-N 3.03Å; C328-M330 HydrophobicContact CB-CE 4.21Å; C328-M330 HydrophobicContact CB-CG 4.06Å; C328-M330 HydrophobicContact CB-SD 4.01Å; C328-M330 PolarHBondContact O-N 3.46Å
329R95.2Very high97.3Very high192 Ų19244 Ų4473%0.72521%0.209SC*.  trans54.232.1-178.7-56.4-60.3-167.8151.44.1113.5M325M325-R329 VanDerWaalsContact O-CA 3.26Å; M325-R329 WeakPolarHBondContact O-CA 3.42Å; M325-R329 PolarHBondContact O-N 3Å
330M95.7Very high97.1Very high59 Ų5946.9 Ų46.929%0.29122%0.221SC..  trans-79.5148.4175.2-71.9170.9169.700110.6L324 M325 C328 E334 A335 V338L324-M330 HydrophobicContact CB-SD 4.13Å; L324-M330 HydrophobicContact CD1-SD 4.31Å; M325-M330 WeakPolarHBondContact CA-O 3.06Å; C328-M330 HydrophobicContact CB-CE 4.21Å; C328-M330 HydrophobicContact CB-CG 4.06Å; C328-M330 HydrophobicContact CB-SD 4.01Å; C328-M330 PolarHBondContact O-N 3.46Å; M330-E334 HydrophobicContact CB-CB 4.02Å; M330-E334 HydrophobicContact CG-CB 4.35Å; M330-A335 HydrophobicContact CB-CB 4.12Å; M330-V338 HydrophobicContact CE-CG2 4.12Å; M330-V338 HydrophobicContact SD-CG2 4.31Å
331K96.1Very high96.9Very high89 Ų8951.9 Ų51.939%0.38726%0.256SS..  trans-66161.7164-70.5177.7-170.9156.30111.4H333 E334 A335 E360K331-H333 VanDerWaalsContact C-N 3.28Å; K331-H333 WeakPolarHBondContact CD-NE2 3.36Å; K331-H333 PolarHBondContact O-N 2.88Å; K331-E334 HydrophobicContact CB-CB 4.41Å; K331-E334 HydrophobicContact CB-CG 4.41Å; K331-E334 PolarHBondContact N-OE2 3.23Å; K331-E334 IonicContact NZ-OE1 3.88Å; K331-E334 PolarHBondContact O-N 3.27Å; K331-E334 VanDerWaalsContact O-N 3.08Å; K331-A335 WeakPolarHBondContact O-CB 3.37Å; K331-A335 PolarHBondContact O-N 2.89Å; K331-E360 WeakPolarHBondContact CA-OE1 3.46Å; K331-E360 WeakPolarHBondContact CB-OE1 3.41Å; K331-E360 WeakPolarHBondContact CG-OE1 3.31Å
332M96.7Very high96.4Very high25 Ų2553.4 Ų53.412%0.12327%0.272CS..Hα-helixtrans-54.7-45.9178-167.4-72.5-69.500111M325 E334 A335 Y336 L356 L357 E360M325-M332 HydrophobicContact CE-CB 3.98Å; M325-M332 HydrophobicContact CE-CG 4.33Å; M325-M332 HydrophobicContact SD-CB 4.02Å; M325-M332 HydrophobicContact SD-CG 4.02Å; M332-E334 PolarHBondContact O-N 2.87Å; M332-A335 PolarHBondContact O-N 3.25Å; M332-Y336 VanDerWaalsContact O-CB 3.27Å; M332-Y336 WeakPolarHBondContact O-CB 3.39Å; M332-Y336 PolarHBondContact O-N 2.88Å; M332-L356 HydrophobicContact CG-CB 3.71Å; M332-L356 HydrophobicContact SD-CB 4.39Å; M332-L357 HydrophobicContact CE-CD2 3.63Å; M332-L357 HydrophobicContact CE-CG 3.97Å; M332-L357 HydrophobicContact CG-CD2 4.49Å; M332-E360 HydrophobicContact CB-CB 4.45Å; M332-E360 WeakPolarHBondContact CB-OE2 3.36Å; M332-E360 PolarHBondContact N-OE1 2.9Å
333H95.5Very high96Very high94 Ų9453.9 Ų53.944%0.43527%0.274SS..Hα-helixtrans-65.7-37.9177.662.955.8000113.3K331 Y336 D337K331-H333 VanDerWaalsContact C-N 3.28Å; K331-H333 WeakPolarHBondContact CD-NE2 3.36Å; K331-H333 PolarHBondContact O-N 2.88Å; H333-Y336 PolarHBondContact O-N 2.98Å; H333-D337 VanDerWaalsContact O-CG 3.23Å; H333-D337 PolarHBondContact O-N 3.03Å
334E97Very high95.5Very high76 Ų7659.2 Ų59.236%0.35530%0.302SS..Hα-helixtrans-68.2-43.4178.5-78.8147.4-157.300111.2M330 K331 M332 D337 V338M330-E334 HydrophobicContact CB-CB 4.02Å; M330-E334 HydrophobicContact CG-CB 4.35Å; K331-E334 HydrophobicContact CB-CB 4.41Å; K331-E334 HydrophobicContact CB-CG 4.41Å; K331-E334 PolarHBondContact N-OE2 3.23Å; K331-E334 IonicContact NZ-OE1 3.88Å; K331-E334 PolarHBondContact O-N 3.27Å; K331-E334 VanDerWaalsContact O-N 3.08Å; M332-E334 PolarHBondContact O-N 2.87Å; E334-D337 PolarHBondContact O-N 3.16Å; E334-V338 VanDerWaalsContact O-CG2 3.31Å; E334-V338 WeakPolarHBondContact O-CG2 3.34Å; E334-V338 PolarHBondContact O-N 3.2Å; E334-V338 VanDerWaalsContact O-N 3.09Å
335A98.1Very high95.2Very high0 Ų061.2 Ų61.20%032%0.316CS..Hα-helixtrans-66.2-37.8175.100000112.1I321 L324 M325 M330 K331 M332 V339I321-A335 HydrophobicContact CG2-CB 3.76Å; L324-A335 HydrophobicContact CB-CB 3.73Å; L324-A335 HydrophobicContact CD1-CB 4.33Å; M325-A335 HydrophobicContact CG-CB 3.69Å; M330-A335 HydrophobicContact CB-CB 4.12Å; K331-A335 WeakPolarHBondContact O-CB 3.37Å; K331-A335 PolarHBondContact O-N 2.89Å; M332-A335 PolarHBondContact O-N 3.25Å; A335-V339 WeakPolarHBondContact O-CG2 3.33Å; A335-V339 PolarHBondContact O-N 3.36Å; A335-V339 VanDerWaalsContact O-N 3.12Å
336Y98.2Very high95Very high57 Ų5761.1 Ų61.122%0.22432%0.316CS..Hα-helixtrans-60.7-52.2173.2-176.7-82.7000111.3I321 M332 H333 V338 V339 K340 P348 L353I321-Y336 HydrophobicContact CD1-CD2 3.79Å; I321-Y336 HydrophobicContact CD1-CG 4.42Å; M332-Y336 VanDerWaalsContact O-CB 3.27Å; M332-Y336 WeakPolarHBondContact O-CB 3.39Å; M332-Y336 PolarHBondContact O-N 2.88Å; H333-Y336 PolarHBondContact O-N 2.98Å; Y336-V338 VanDerWaalsContact C-N 3.33Å; Y336-V338 PolarHBondContact O-N 3.19Å; Y336-V339 PolarHBondContact O-N 3.33Å; Y336-V339 VanDerWaalsContact O-N 3.16Å; Y336-K340 HydrophobicContact CD1-CB 4.28Å; Y336-K340 HydrophobicContact CE1-CB 4.07Å; Y336-K340 HydrophobicContact CE1-CD 4.42Å; Y336-K340 HydrophobicContact CE1-CG 4.15Å; Y336-K340 VanDerWaalsContact O-CB 3.25Å; Y336-K340 WeakPolarHBondContact O-CB 3.35Å; Y336-K340 PolarHBondContact O-N 2.86Å; Y336-P348 HydrophobicContact CE2-CG 4.32Å; Y336-L353 HydrophobicContact CD2-CD2 4.29Å; Y336-L353 HydrophobicContact CE2-CD2 4.22Å
337D97.2Very high94.9Very high100 Ų10059.9 Ų59.954%0.53532%0.323SS..Hα-helixtrans-62-39.6-178.2-69.1-19.3000111.9H333 E334 K340 S341H333-D337 VanDerWaalsContact O-CG 3.23Å; H333-D337 PolarHBondContact O-N 3.03Å; E334-D337 PolarHBondContact O-N 3.16Å; D337-K340 PolarHBondContact O-N 3.02Å; D337-S341 VanDerWaalsContact O-CB 3.31Å; D337-S341 WeakPolarHBondContact O-CB 3.13Å; D337-S341 PolarHBondContact O-N 2.84Å; D337-S341 PolarHBondContact O-OG 3.28Å
338V96.2Very high94.9Very high50 Ų5058.5 Ų58.530%0.30331%0.313SS..Hα-helixtrans-59.7-49173.3169.80000111I227 L324 M330 E334 Y336 S341 G342I227-V338 HydrophobicContact CG2-CG1 4.38Å; L324-V338 HydrophobicContact CD1-CB 3.93Å; L324-V338 HydrophobicContact CD1-CG1 3.61Å; M330-V338 HydrophobicContact CE-CG2 4.12Å; M330-V338 HydrophobicContact SD-CG2 4.31Å; E334-V338 VanDerWaalsContact O-CG2 3.31Å; E334-V338 WeakPolarHBondContact O-CG2 3.34Å; E334-V338 PolarHBondContact O-N 3.2Å; E334-V338 VanDerWaalsContact O-N 3.09Å; Y336-V338 VanDerWaalsContact C-N 3.33Å; Y336-V338 PolarHBondContact O-N 3.19Å; V338-S341 PolarHBondContact O-N 3.29Å; V338-S341 PolarHBondContact O-OG 2.88Å; V338-G342 PolarHBondContact O-N 3.15Å
339V97.6Very high94.8Very high0 Ų057.5 Ų57.50%030%0.303CS..Hα-helixtrans-69.6-38.3-179.1174.60000111.9I227 L233 P317 A320 I321 L324 A335 Y336 G342 R343 V346I227-V339 HydrophobicContact CG2-CG2 4.02Å; L233-V339 HydrophobicContact CD2-CG1 3.62Å; P317-V339 HydrophobicContact CB-CG1 4.19Å; A320-V339 HydrophobicContact CB-CG2 4.23Å; I321-V339 HydrophobicContact CG1-CB 3.9Å; I321-V339 HydrophobicContact CG1-CG1 4.24Å; I321-V339 HydrophobicContact CG1-CG2 3.82Å; L324-V339 HydrophobicContact CD1-CG2 3.71Å; A335-V339 WeakPolarHBondContact O-CG2 3.33Å; A335-V339 PolarHBondContact O-N 3.36Å; A335-V339 VanDerWaalsContact O-N 3.12Å; Y336-V339 PolarHBondContact O-N 3.33Å; Y336-V339 VanDerWaalsContact O-N 3.16Å; V339-G342 PolarHBondContact O-N 3.27Å; V339-R343 PolarHBondContact O-N 2.84Å; V339-V346 HydrophobicContact CG1-CG1 4.24Å; V339-V346 HydrophobicContact CG1-CG2 3.93Å
340K95.7Very high94.6Very high61 Ų6153.1 Ų53.127%0.26529%0.29SS..Hα-helixtrans-64.4-40.6176.1-17565167-178.90112.2Y336 D337 G342 R343 N344 V346Y336-K340 HydrophobicContact CD1-CB 4.28Å; Y336-K340 HydrophobicContact CE1-CB 4.07Å; Y336-K340 HydrophobicContact CE1-CD 4.42Å; Y336-K340 HydrophobicContact CE1-CG 4.15Å; Y336-K340 VanDerWaalsContact O-CB 3.25Å; Y336-K340 WeakPolarHBondContact O-CB 3.35Å; Y336-K340 PolarHBondContact O-N 2.86Å; D337-K340 PolarHBondContact O-N 3.02Å; K340-G342 VanDerWaalsContact C-N 3.33Å; K340-G342 PolarHBondContact O-N 3.31Å; K340-R343 CarbonylContact O-C 3.57Å; K340-R343 PolarHBondContact O-N 2.79Å; K340-N344 WeakPolarHBondContact CE-O 3.43Å; K340-N344 PolarHBondContact NZ-O 2.81Å; K340-N344 WeakPolarHBondContact O-CA 3.45Å; K340-N344 PolarHBondContact O-N 3.43Å; K340-V346 HydrophobicContact CD-CB 4.1Å; K340-V346 WeakPolarHBondContact CD-O 3.09Å; K340-V346 PolarHBondContact NZ-O 3.48Å
341S92.8Very high94.6Very high105 Ų10552 Ų5273%0.73429%0.285SS*.Hα-helixtrans-67.4-32175.171.60000112.8D337 V338D337-S341 VanDerWaalsContact O-CB 3.31Å; D337-S341 WeakPolarHBondContact O-CB 3.13Å; D337-S341 PolarHBondContact O-N 2.84Å; D337-S341 PolarHBondContact O-OG 3.28Å; V338-S341 PolarHBondContact O-N 3.29Å; V338-S341 PolarHBondContact O-OG 2.88Å
342G88.3Confident94.6Very high33 Ų3347.8 Ų47.834%0.3427%0.267SS..Hα-helixtrans-75.7-28.6172.900000114.2S225 V338 V339 K340S225-G342 WeakPolarHBondContact CB-O 3.22Å; S225-G342 PolarHBondContact OG-O 3Å; V338-G342 PolarHBondContact O-N 3.15Å; V339-G342 PolarHBondContact O-N 3.27Å; K340-G342 VanDerWaalsContact C-N 3.33Å; K340-G342 PolarHBondContact O-N 3.31Å
343R91.6Very high94.7Very high10 Ų1048.4 Ų48.44%0.03827%0.27CS..  trans-147.197.1178.7-169.6171.1178.889-1.8110.4T222 R223 S225 L233 A311 G312 V339 K340 S345 V346T222-R343 PolarHBondContact OG1-NH2 3.24Å; T222-R343 VanDerWaalsContact OG1-NH2 3.13Å; R223-R343 PolarHBondContact O-NH1 3.2Å; S225-R343 WeakPolarHBondContact OG-CB 3.26Å; L233-R343 HydrophobicContact CD2-CB 4.32Å; A311-R343 PolarHBondContact O-NH2 3.49Å; G312-R343 PolarHBondContact O-NE 2.73Å; V339-R343 PolarHBondContact O-N 2.84Å; K340-R343 CarbonylContact O-C 3.57Å; K340-R343 PolarHBondContact O-N 2.79Å; R343-S345 PolarHBondContact O-N 3.35Å; R343-S345 VanDerWaalsContact O-N 3.11Å; R343-V346 HydrophobicContact CB-CG2 3.76Å; R343-V346 HydrophobicContact CG-CG2 4.09Å; R343-V346 VanDerWaalsContact O-CB 3.28Å; R343-V346 WeakPolarHBondContact O-CB 3.48Å; R343-V346 WeakPolarHBondContact O-CG2 3.37Å; R343-V346 PolarHBondContact O-N 2.9Å
344N88.4Confident94.7Very high112 Ų11245.8 Ų45.860%0.59927%0.268SS*.THydrogen-bonded Turntrans-59-26-175.566.1-15.2000114.4K340 V346K340-N344 WeakPolarHBondContact CE-O 3.43Å; K340-N344 PolarHBondContact NZ-O 2.81Å; K340-N344 WeakPolarHBondContact O-CA 3.45Å; K340-N344 PolarHBondContact O-N 3.43Å; N344-V346 PolarHBondContact O-N 3.03Å
345S91.1Very high94.7Very high43 Ų4342.8 Ų42.830%0.30125%0.254SS..THydrogen-bonded Turntrans-74.30.8175.658.40000115.1R343 A347R343-S345 PolarHBondContact O-N 3.35Å; R343-S345 VanDerWaalsContact O-N 3.11Å; S345-A347 PolarHBondContact O-N 2.84Å
346V93.9Very high94.7Very high0 Ų042.8 Ų42.80%025%0.254CS..  trans-63.7123.9176.8166.80000111.3L233 P317 V339 K340 R343 N344 P348L233-V346 HydrophobicContact CD2-CG2 4.15Å; P317-V346 HydrophobicContact CB-CB 4.38Å; P317-V346 HydrophobicContact CB-CG1 3.71Å; P317-V346 HydrophobicContact CB-CG2 3.9Å; P317-V346 HydrophobicContact CG-CG1 4.34Å; P317-V346 HydrophobicContact CG-CG2 3.8Å; V339-V346 HydrophobicContact CG1-CG1 4.24Å; V339-V346 HydrophobicContact CG1-CG2 3.93Å; K340-V346 HydrophobicContact CD-CB 4.1Å; K340-V346 WeakPolarHBondContact CD-O 3.09Å; K340-V346 PolarHBondContact NZ-O 3.48Å; R343-V346 HydrophobicContact CB-CG2 3.76Å; R343-V346 HydrophobicContact CG-CG2 4.09Å; R343-V346 VanDerWaalsContact O-CB 3.28Å; R343-V346 WeakPolarHBondContact O-CB 3.48Å; R343-V346 WeakPolarHBondContact O-CG2 3.37Å; R343-V346 PolarHBondContact O-N 2.9Å; N344-V346 PolarHBondContact O-N 3.03Å; V346-P348 HydrophobicContact CG1-CG 4.4Å
347A94.8Very high94.6Very high55 Ų5543.8 Ų43.846%0.45526%0.263SS..  trans-155.181.4175.300000110.3I313 S314 S345I313-A347 HydrophobicContact CG2-CB 4.1Å; I313-A347 CarbonylContact O-C 3.58Å; I313-A347 VanDerWaalsContact O-C 3.29Å; I313-A347 PolarHBondContact O-N 2.98Å; S314-A347 WeakPolarHBondContact CB-O 3.38Å; S345-A347 PolarHBondContact O-N 2.84Å
348P97Very high94.6Very high11 Ų1143.8 Ų43.87%0.07126%0.26CS..  trans-56.2138.2168-23.435.7000112I321 Y336 V346 F352 L353I321-P348 HydrophobicContact CD1-CG 4.09Å; Y336-P348 HydrophobicContact CE2-CG 4.32Å; V346-P348 HydrophobicContact CG1-CG 4.4Å; P348-F352 HydrophobicContact CB-CB 4.46Å; P348-L353 HydrophobicContact CB-CD2 3.86Å; P348-L353 HydrophobicContact CB-CG 4.05Å; P348-L353 HydrophobicContact CG-CD2 4.2Å
349N94.1Very high94.6Very high36 Ų3642.4 Ų42.419%0.19325%0.25CS..  trans-65.2159.3175.374.949.7000111.8D278 N279 S314 N351 F352 L353D278-N349 PolarHBondContact OD1-ND2 3.41Å; N279-N349 PolarHBondContact O-ND2 3.13Å; N279-N349 VanDerWaalsContact O-ND2 3.17Å; N279-N349 PolarHBondContact O-OD1 2.85Å; S314-N349 PolarHBondContact OG-N 3.01Å; S314-N349 VanDerWaalsContact OG-N 3.11Å; N349-N351 VanDerWaalsContact C-N 3.25Å; N349-N351 PolarHBondContact O-N 3.27Å; N349-N351 WeakPolarHBondContact OD1-CB 3.14Å; N349-N351 PolarHBondContact OD1-N 3.39Å; N349-N351 VanDerWaalsContact OD1-N 3.11Å; N349-F352 WeakPolarHBondContact ND2-CD2 3.3Å; N349-F352 WeakPolarHBondContact ND2-CE2 3.33Å; N349-F352 PolarHBondContact O-N 3.18Å; N349-F352 VanDerWaalsContact O-N 3.11Å; N349-F352 PolarHBondContact OD1-N 3.26Å; N349-L353 PolarHBondContact O-N 3.39Å
350F91.5Very high94.6Very high100 Ų10043.7 Ų43.744%0.43926%0.256SS..Hα-helixtrans-62.6-26.8-173.5-65.8-62.1000114.7F58 L353 G354F58-F350 HydrophobicContact CE1-CD2 4.42Å; F350-L353 HydrophobicContact CD1-CD1 4.17Å; F350-G354 PolarHBondContact O-N 2.86Å
351N94.4Very high94.5Very high36 Ų3645.8 Ų45.819%0.19327%0.267CS..Hα-helixtrans-66.8-47.6174.3163.641.4000110.3N279 T281 D282 N349 G354 Q355N279-N351 PolarHBondContact O-ND2 3.28Å; T281-N351 PolarHBondContact N-ND2 3.36Å; D282-N351 PolarHBondContact O-ND2 2.86Å; N349-N351 VanDerWaalsContact C-N 3.25Å; N349-N351 PolarHBondContact O-N 3.27Å; N349-N351 WeakPolarHBondContact OD1-CB 3.14Å; N349-N351 PolarHBondContact OD1-N 3.39Å; N349-N351 VanDerWaalsContact OD1-N 3.11Å; N351-G354 PolarHBondContact O-N 3.43Å; N351-Q355 VanDerWaalsContact CG-NE2 3.34Å; N351-Q355 PolarHBondContact ND2-NE2 2.79Å; N351-Q355 WeakPolarHBondContact O-CG 3.36Å; N351-Q355 PolarHBondContact O-N 3Å; N351-Q355 PolarHBondContact OD1-NE2 2.92Å
352F97.6Very high94.5Very high0 Ų044.7 Ų44.70%025%0.25CC..Hα-helixtrans-66.1-36.3175.1-65.1-25.2000113.7V276 N277 M284 R315 T318 P348 N349 G354 Q355 L356V276-F352 HydrophobicContact CG1-CE1 4.19Å; V276-F352 HydrophobicContact CG1-CZ 3.76Å; N277-F352 WeakPolarHBondContact O-CZ 3.44Å; M284-F352 HydrophobicContact CB-CD1 4.16Å; M284-F352 HydrophobicContact CB-CE1 4.12Å; M284-F352 HydrophobicContact CE-CE1 4.07Å; M284-F352 HydrophobicContact CE-CE2 4.03Å; M284-F352 HydrophobicContact CE-CZ 3.78Å; R315-F352 HydrophobicContact CG-CE2 3.56Å; R315-F352 HydrophobicContact CG-CZ 3.98Å; T318-F352 HydrophobicContact CG2-CB 3.74Å; T318-F352 HydrophobicContact CG2-CG 4.09Å; T318-F352 WeakPolarHBondContact OG1-CB 3.4Å; P348-F352 HydrophobicContact CB-CB 4.46Å; N349-F352 WeakPolarHBondContact ND2-CD2 3.3Å; N349-F352 WeakPolarHBondContact ND2-CE2 3.33Å; N349-F352 PolarHBondContact O-N 3.18Å; N349-F352 VanDerWaalsContact O-N 3.11Å; N349-F352 PolarHBondContact OD1-N 3.26Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 3.19Å; F352-Q355 PolarHBondContact O-N 2.71Å; F352-L356 WeakPolarHBondContact O-CG 3.25Å; F352-L356 PolarHBondContact O-N 2.96Å
353L97Very high94.7Very high38 Ų3844.5 Ų44.520%0.19924%0.241CC..Hα-helixtrans-62.8-38.3171.2-66.8175.2000112Y336 P348 N349 F350 L356 L357Y336-L353 HydrophobicContact CD2-CD2 4.29Å; Y336-L353 HydrophobicContact CE2-CD2 4.22Å; P348-L353 HydrophobicContact CB-CD2 3.86Å; P348-L353 HydrophobicContact CB-CG 4.05Å; P348-L353 HydrophobicContact CG-CD2 4.2Å; N349-L353 PolarHBondContact O-N 3.39Å; F350-L353 HydrophobicContact CD1-CD1 4.17Å; L353-L356 HydrophobicContact CD2-CD1 4.42Å; L353-L356 PolarHBondContact O-N 3.28Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 2.74Å; L353-L357 VanDerWaalsContact O-N 3.08Å
354G95.7Very high94.2Very high38 Ų3849.4 Ų49.439%0.39226%0.264SS..Hα-helixtrans-63.4-44172.500000112.8F350 N351 F352 L356 L357 E358F350-G354 PolarHBondContact O-N 2.86Å; N351-G354 PolarHBondContact O-N 3.43Å; F352-G354 VanDerWaalsContact C-N 3.31Å; F352-G354 PolarHBondContact O-N 3.19Å; G354-L356 VanDerWaalsContact C-N 3.33Å; G354-L356 PolarHBondContact O-N 2.83Å; G354-L357 PolarHBondContact O-N 3.33Å; G354-E358 PolarHBondContact O-N 2.99Å
355Q97.7Very high93.4Very high14 Ų1450.7 Ų50.77%0.06527%0.271CS..Hα-helixtrans-64.8-33.6176-73.817849.900113.2D282 T285 N351 F352 F359D282-Q355 PolarHBondContact O-NE2 2.99Å; T285-Q355 PolarHBondContact OG1-OE1 3.23Å; N351-Q355 VanDerWaalsContact CG-NE2 3.34Å; N351-Q355 PolarHBondContact ND2-NE2 2.79Å; N351-Q355 WeakPolarHBondContact O-CG 3.36Å; N351-Q355 PolarHBondContact O-N 3Å; N351-Q355 PolarHBondContact OD1-NE2 2.92Å; F352-Q355 PolarHBondContact O-N 2.71Å; Q355-F359 WeakPolarHBondContact O-CB 3.37Å; Q355-F359 PolarHBondContact O-N 3.31Å
356L98.1Very high91.9Very high0 Ų052.5 Ų52.50%028%0.283CS..Hα-helixtrans-68.6-41.5173-74.3169.1000112.2F288 T318 I321 A322 M325 M332 F352 L353 G354 E358 F359 E360F288-L356 HydrophobicContact CZ-CD2 4.31Å; T318-L356 HydrophobicContact CG2-CD1 4.06Å; T318-L356 HydrophobicContact CG2-CD2 4.29Å; T318-L356 HydrophobicContact CG2-CG 4.08Å; I321-L356 HydrophobicContact CB-CD1 4.25Å; I321-L356 HydrophobicContact CB-CD2 4.4Å; I321-L356 HydrophobicContact CD1-CD1 4.45Å; I321-L356 HydrophobicContact CG2-CD1 3.92Å; I321-L356 HydrophobicContact CG2-CD2 4.08Å; A322-L356 HydrophobicContact CB-CD2 3.69Å; M325-L356 WeakPolarHBondContact CE-O 3.43Å; M325-L356 HydrophobicContact SD-CD2 4.05Å; M332-L356 HydrophobicContact CG-CB 3.71Å; M332-L356 HydrophobicContact SD-CB 4.39Å; F352-L356 WeakPolarHBondContact O-CG 3.25Å; F352-L356 PolarHBondContact O-N 2.96Å; L353-L356 HydrophobicContact CD2-CD1 4.42Å; L353-L356 PolarHBondContact O-N 3.28Å; G354-L356 VanDerWaalsContact C-N 3.33Å; G354-L356 PolarHBondContact O-N 2.83Å; L356-E358 VanDerWaalsContact C-N 3.35Å; L356-F359 PolarHBondContact O-N 3.36Å; L356-E360 PolarHBondContact O-N 2.82Å
357L96.4Very high89.9Confident78 Ų7855.4 Ų55.441%0.40831%0.313SS..Hα-helixtrans-64.3-39.3173.9-72.6167.9000112.1M332 L353 G354 E360 H361M332-L357 HydrophobicContact CE-CD2 3.63Å; M332-L357 HydrophobicContact CE-CG 3.97Å; M332-L357 HydrophobicContact CG-CD2 4.49Å; L353-L357 WeakPolarHBondContact O-CG 3.39Å; L353-L357 PolarHBondContact O-N 2.74Å; L353-L357 VanDerWaalsContact O-N 3.08Å; G354-L357 PolarHBondContact O-N 3.33Å; L357-E360 WeakPolarHBondContact O-CB 3.43Å; L357-E360 PolarHBondContact O-N 2.98Å; L357-H361 PolarHBondContact O-CE1 3.21Å; L357-H361 PolarHBondContact O-N 3.49Å; L357-H361 PolarHBondContact O-ND1 2.83Å
358E95.9Very high87Confident100 Ų10058.9 Ų58.947%0.46733%0.333SS..Hα-helixtrans-63.7-42.6173.6177.951.4-148.700111.5G354 L356 E360 H361 Q362G354-E358 PolarHBondContact O-N 2.99Å; L356-E358 VanDerWaalsContact C-N 3.35Å; E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 3.17Å; E358-H361 PolarHBondContact O-N 3.16Å; E358-Q362 WeakPolarHBondContact O-CG 3.26Å; E358-Q362 PolarHBondContact O-N 2.94Å; E358-Q362 PolarHBondContact OE1-NE2 3.4Å
359F97.2Very high83.9Confident21 Ų2163.3 Ų63.39%0.09236%0.364CS..Hα-helixtrans-65.4-31174.8-177.2-120000113.3F288 F292 A322 M325 Q355 L356 Q362 L363F288-F359 HydrophobicContact CD2-CB 4.46Å; F288-F359 AromaticContact CD2-CD1 3.96Å; F288-F359 HydrophobicContact CD2-CD1 3.96Å; F288-F359 AromaticContact CD2-CD2 3.84Å; F288-F359 HydrophobicContact CD2-CD2 3.84Å; F288-F359 HydrophobicContact CD2-CE1 4.16Å; F288-F359 HydrophobicContact CD2-CE2 4.06Å; F288-F359 AromaticContact CD2-CG 3.81Å; F288-F359 HydrophobicContact CD2-CG 3.81Å; F288-F359 HydrophobicContact CD2-CZ 4.23Å; F288-F359 HydrophobicContact CE2-CB 3.95Å; F288-F359 AromaticContact CE2-CD1 3.81Å; F288-F359 HydrophobicContact CE2-CD1 3.81Å; F288-F359 HydrophobicContact CE2-CD2 4.19Å; F288-F359 HydrophobicContact CE2-CE1 4.4Å; F288-F359 AromaticContact CE2-CG 3.7Å; F288-F359 HydrophobicContact CE2-CG 3.7Å; F292-F359 HydrophobicContact CE2-CE1 4.18Å; F292-F359 AromaticContact CE2-CZ 3.73Å; F292-F359 HydrophobicContact CE2-CZ 3.73Å; F292-F359 HydrophobicContact CZ-CE1 4.14Å; F292-F359 HydrophobicContact CZ-CZ 4.13Å; A322-F359 HydrophobicContact CB-CD1 4.25Å; A322-F359 HydrophobicContact CB-CE1 4.24Å; M325-F359 HydrophobicContact CB-CE1 4.5Å; M325-F359 HydrophobicContact CE-CD1 3.96Å; M325-F359 HydrophobicContact SD-CD1 4.46Å; Q355-F359 WeakPolarHBondContact O-CB 3.37Å; Q355-F359 PolarHBondContact O-N 3.31Å; L356-F359 PolarHBondContact O-N 3.36Å; F359-Q362 PolarHBondContact O-N 3.38Å; F359-L363 HydrophobicContact CD1-CD1 4.1Å; F359-L363 HydrophobicContact CD1-CG 4.5Å; F359-L363 HydrophobicContact CE1-CD1 3.58Å; F359-L363 HydrophobicContact CE1-CD2 4.45Å; F359-L363 HydrophobicContact CE1-CG 4.05Å; F359-L363 HydrophobicContact CE2-CD1 4.49Å; F359-L363 HydrophobicContact CE2-CD2 4.13Å; F359-L363 HydrophobicContact CE2-CG 4.05Å; F359-L363 HydrophobicContact CZ-CD1 3.79Å; F359-L363 HydrophobicContact CZ-CD2 3.79Å; F359-L363 HydrophobicContact CZ-CG 3.78Å; F359-L363 WeakPolarHBondContact O-CG 3.24Å; F359-L363 PolarHBondContact O-N 2.78Å
360E96.9Very high80.9Confident27 Ų2771.4 Ų71.413%0.12640%0.401CS..Hα-helixtrans-61.4-44.9172.8-171.2168.5-142.400111.9M325 K331 M332 L356 L357 E358 L363 H364M325-E360 HydrophobicContact CE-CB 3.61Å; M325-E360 HydrophobicContact CE-CG 4.21Å; K331-E360 WeakPolarHBondContact CA-OE1 3.46Å; K331-E360 WeakPolarHBondContact CB-OE1 3.41Å; K331-E360 WeakPolarHBondContact CG-OE1 3.31Å; M332-E360 HydrophobicContact CB-CB 4.45Å; M332-E360 WeakPolarHBondContact CB-OE2 3.36Å; M332-E360 PolarHBondContact N-OE1 2.9Å; L356-E360 PolarHBondContact O-N 2.82Å; L357-E360 WeakPolarHBondContact O-CB 3.43Å; L357-E360 PolarHBondContact O-N 2.98Å; E358-E360 VanDerWaalsContact C-N 3.32Å; E358-E360 PolarHBondContact O-N 3.17Å; E360-L363 PolarHBondContact O-N 2.71Å; E360-H364 PolarHBondContact O-CD2 3.26Å; E360-H364 PolarHBondContact O-N 2.75Å; E360-H364 VanDerWaalsContact O-N 3.12Å
361H93.8Very high78.2Confident105 Ų10570.5 Ų70.549%0.48641%0.411SS..Hα-helixtrans-61.3-45.2174.3-59.5120.7000111.6L357 E358 L363 H364 D365L357-H361 PolarHBondContact O-CE1 3.21Å; L357-H361 PolarHBondContact O-N 3.49Å; L357-H361 PolarHBondContact O-ND1 2.83Å; E358-H361 PolarHBondContact O-N 3.16Å; H361-L363 VanDerWaalsContact C-N 3.31Å; H361-L363 PolarHBondContact O-N 3.08Å; H361-H364 PolarHBondContact O-N 2.65Å; H361-D365 PolarHBondContact O-N 2.86Å
362Q93.5Very high75.6Confident82 Ų8273.6 Ų73.638%0.38344%0.436SS..Hα-helixtrans-61.9-36.3179.6-66.3171.113.900112.7E358 F359 S366E358-Q362 WeakPolarHBondContact O-CG 3.26Å; E358-Q362 PolarHBondContact O-N 2.94Å; E358-Q362 PolarHBondContact OE1-NE2 3.4Å; F359-Q362 PolarHBondContact O-N 3.38Å; Q362-S366 WeakPolarHBondContact O-CB 3.45Å; Q362-S366 PolarHBondContact O-N 3.16Å; Q362-S366 PolarHBondContact O-OG 2.83Å
363L92.9Very high73.3Confident28 Ų2878.2 Ų78.215%0.14746%0.46CS..Hα-helixtrans-68.5-31.5172.3-73.5177.9000113.1M325 Y326 F359 E360 H361M325-L363 HydrophobicContact CB-CD1 3.81Å; M325-L363 HydrophobicContact CE-CD1 4.4Å; Y326-L363 HydrophobicContact CD2-CD2 4.33Å; F359-L363 HydrophobicContact CD1-CD1 4.1Å; F359-L363 HydrophobicContact CD1-CG 4.5Å; F359-L363 HydrophobicContact CE1-CD1 3.58Å; F359-L363 HydrophobicContact CE1-CD2 4.45Å; F359-L363 HydrophobicContact CE1-CG 4.05Å; F359-L363 HydrophobicContact CE2-CD1 4.49Å; F359-L363 HydrophobicContact CE2-CD2 4.13Å; F359-L363 HydrophobicContact CE2-CG 4.05Å; F359-L363 HydrophobicContact CZ-CD1 3.79Å; F359-L363 HydrophobicContact CZ-CD2 3.79Å; F359-L363 HydrophobicContact CZ-CG 3.78Å; F359-L363 WeakPolarHBondContact O-CG 3.24Å; F359-L363 PolarHBondContact O-N 2.78Å; E360-L363 PolarHBondContact O-N 2.71Å; H361-L363 VanDerWaalsContact C-N 3.31Å; H361-L363 PolarHBondContact O-N 3.08Å
364H79.7Confident70.2Confident114 Ų11480.9 Ų80.953%0.52848%0.479SS..Hα-helixtrans-80.1-42.5179.8-78.9-160.8000113E360 H361 S366 G367E360-H364 PolarHBondContact O-CD2 3.26Å; E360-H364 PolarHBondContact O-N 2.75Å; E360-H364 VanDerWaalsContact O-N 3.12Å; H361-H364 PolarHBondContact O-N 2.65Å; H364-S366 PolarHBondContact O-N 2.98Å; H364-G367 WeakPolarHBondContact O-CA 3.25Å; H364-G367 PolarHBondContact O-N 2.92Å
365D71.2Confident67.5Low139 Ų13986.7 Ų86.774%0.74350%0.5SS*.Hα-helixtrans-67.1-28.1177-71.4-21.2000111.7H361 G367H361-D365 PolarHBondContact O-N 2.86Å; D365-G367 PolarHBondContact O-N 2.93Å; D365-G367 VanDerWaalsContact O-N 3.16Å
366S60Low64.6Low81 Ų8192 Ų9257%0.56653%0.529SS*.G310 helixtrans-65.1-8.4167.6-60.50000113.9Q362 H364 C368 S369Q362-S366 WeakPolarHBondContact O-CB 3.45Å; Q362-S366 PolarHBondContact O-N 3.16Å; Q362-S366 PolarHBondContact O-OG 2.83Å; H364-S366 PolarHBondContact O-N 2.98Å; S366-C368 PolarHBondContact O-N 3.15Å; S366-S369 PolarHBondContact O-N 2.97Å
367G51.8Low61.6Low61 Ų6196.7 Ų96.763%0.62956%0.561SS**G310 helixtrans-66.6-1.8-175.600000116.2H364 D365H364-G367 WeakPolarHBondContact O-CA 3.25Å; H364-G367 PolarHBondContact O-N 2.92Å; D365-G367 PolarHBondContact O-N 2.93Å; D365-G367 VanDerWaalsContact O-N 3.16Å
368C34.7Very low58.6Low127 Ų12798.2 Ų98.286%0.85857%0.574SS**G310 helixtrans-10824.8174.3-75.40000114.3S366S366-C368 PolarHBondContact O-N 3.15Å
369S31.3Very low55.8Low104 Ų10499.3 Ų99.373%0.72759%0.59SS**  trans-152.4114160.5-79.90000112.9S366 A371S366-S369 PolarHBondContact O-N 2.97Å; S369-A371 PolarHBondContact O-N 3.42Å; S369-A371 VanDerWaalsContact O-N 3.15Å
370E32.6Very low52.7Low207 Ų207103.6 Ų103.697%0.96762%0.618SS**  trans-85.872.9176.7-171.5176.5-144.600111.2
371A33.7Very low49.9Very low80 Ų80112.1 Ų112.166%0.66166%0.655SS**SBendtrans-159.5146.3165.400000112.4S369S369-A371 PolarHBondContact O-N 3.42Å; S369-A371 VanDerWaalsContact O-N 3.15Å
372S40.6Very low47.1Very low102 Ų102113.7 Ų113.771%0.71367%0.667SS**  trans-3123.3161.654.40000118.6P374S372-P374 WeakPolarHBondContact O-CD 3.38Å
373I47.7Very low44.4Very low97 Ų97114.7 Ų114.750%0.49768%0.683SS.*  trans-56.3126.6148.7-60.1173.4000107K289 Y326 I375K289-I373 HydrophobicContact CD-CG2 4.39Å; Y326-I373 HydrophobicContact CE2-CD1 4.19Å; I373-I375 PolarHBondContact O-N 3.27Å; I373-I375 VanDerWaalsContact O-N 3.14Å
374P32.3Very low41.7Very low94 Ų94119.1 Ų119.161%0.6171%0.713SS**  trans-60.2120.1175.7-25.836000111.4K289 S372 D376K289-P374 PolarHBondContact NZ-O 2.86Å; S372-P374 WeakPolarHBondContact O-CD 3.38Å; P374-D376 PolarHBondContact O-N 3.39Å
375I40.2Very low39.6Very low160 Ų160118.5 Ų118.582%0.82173%0.728SS**  trans-80.370.4160.7-52.7178.1000106I373 S377I373-I375 PolarHBondContact O-N 3.27Å; I373-I375 VanDerWaalsContact O-N 3.14Å; I375-S377 PolarHBondContact O-N 3.45Å
376D35.4Very low38Very low126 Ų126116.9 Ų116.967%0.67473%0.727SS**  trans-74.5121.9174.6-167.4-0.3000109.3P374P374-D376 PolarHBondContact O-N 3.39Å
377S35.2Very low36.7Very low97 Ų97120.9 Ų120.968%0.67874%0.742SS**  trans44.999.8159.3-56.80000117.9I375I375-S377 PolarHBondContact O-N 3.45Å
378T34.4Very low35.8Very low111 Ų111123.8 Ų123.868%0.68175%0.751SS**  trans-50.1133.7164.950.20000113T380T378-T380 PolarHBondContact O-N 3.13Å; T378-T380 VanDerWaalsContact O-N 3.1Å
379P36.9Very low35.7Very low123 Ų123122.7 Ų122.780%0.79975%0.745SS**  trans-72.8100.3162.229.9-31.7000109.4F381P379-F381 PolarHBondContact O-N 3.31Å
380T31.9Very low35.9Very low111 Ų111125.2 Ų125.268%0.68175%0.748SS**  trans-70.7119.917747.90000111.3T378T378-T380 PolarHBondContact O-N 3.13Å; T378-T380 VanDerWaalsContact O-N 3.1Å
381F39.1Very low36.1Very low206 Ų206126.5 Ų126.590%0.90474%0.744SS**  trans-92.5109162.8-100.4-94.3000109.7P379P379-F381 PolarHBondContact O-N 3.31Å
382D34.6Very low36Very low137 Ų137127.9 Ų127.973%0.73375%0.749SS**  trans-63.2164.7161.6-68-58.6000110.1
383S36.4Very low35.7Very low103 Ų103131.9 Ų131.972%0.7276%0.759SS**  cis-172.8-177.324.8-137.40000109.1
384P37.2Very low34.9Very low121 Ų121132.2 Ų132.279%0.78677%0.77SS**  cis-129.9179.2-48.627.9-6.9000114.1
385A34.7Very low35.1Very low102 Ų102134.7 Ų134.784%0.84378%0.784SS**  trans-60.8156.9-174.100000120.4
386S36.7Very low34.6Very low104 Ų104135.2 Ų135.273%0.72778%0.782SS**  -150.9127.812463.50000109.4
387L34.1Very low34.6Very low166 Ų166136.2 Ų136.287%0.86979%0.793SS**  57.3135.6102.2-58.5171.6000114.8
388C31.9Very low34.5Very low121 Ų121139.2 Ų139.282%0.81880%0.796SS**  cis-149.5166.615.9-160.70000112.9
389S32.4Very low34.5Very low104 Ų104139.6 Ų139.673%0.72780%0.803SS**  trans-80.2165179.9-46.30000114.1
390I37Very low34.5Very low157 Ų157138.9 Ų138.981%0.80580%0.801SS**  -167.3124.9127.6-101.3154.1000113.8
391R35.5Very low34.8Very low234 Ų234138.3 Ų138.388%0.88380%0.802SS**  trans41.8125152-60179.4175.7163.90.1122.4
392S31.3Very low34.7Very low109 Ų109136.6 Ų136.676%0.76280%0.799SS**  trans-66.5157.2152.2-30.30000112.8
393M35.5Very low34.7Very low186 Ų186136 Ų13692%0.91680%0.795SS**  trans-142.9145.2142.7-82.4-125.369.400108.9
394S31.3Very low34.7Very low104 Ų104139.8 Ų139.873%0.72780%0.798SS**  trans-112.2144.1-178-48.90000110.8
395T34.8Very low34.5Very low147 Ų147139.9 Ų139.990%0.90280%0.802SS**  trans-145.1142.1156.936.70000110.5
396E29.7Very low34.4Very low170 Ų170138.4 Ų138.479%0.79480%0.796SS**  trans-98.9152.8177.6-53.8170.9110.800110.6
397V37.3Very low34.2Very low148 Ų148141.4 Ų141.490%0.89780%0.803SS**  trans-140.5132.4149.9-176.30000108.7
398Q31.6Very low34.4Very low159 Ų159142.4 Ų142.474%0.74380%0.803SS**  trans-95.5154.8-178.4-57.5170.3-0.400111.5
399S35.4Very low34.4Very low119 Ų119141.7 Ų141.783%0.83280%0.8SS**  trans-167.7119.1143.6-86.30000114.2
400S36Very low34.5Very low108 Ų108141.6 Ų141.676%0.75580%0.799SS**  trans-21.9155.3152.959.70000118.2
401S37.8Very low34.5Very low100 Ų100139.3 Ų139.370%0.69980%0.797SS**  -176.5156.450.350.90000114.2
402M37.2Very low34.4Very low169 Ų169137.5 Ų137.583%0.83380%0.796SS**  trans49.9150.8136.5-67.6-163.7156.700122.6
403L35.5Very low34.3Very low125 Ų125137.7 Ų137.765%0.65480%0.797SS**  cis-161.41390.6-115.7169.4000113.2
404K35.1Very low34.2Very low182 Ų182136.3 Ų136.379%0.79179%0.793SS**  trans28.2128.3148.1-74.5179.3-174.3177.60125.9
405S33.1Very low34Very low124 Ų124138.9 Ų138.987%0.86780%0.798SS**  88.1145.1118.672.60000124.8
406G34.4Very low33.9Very low70 Ų70140 Ų14072%0.72280%0.798SS**  trans120.988.1168.900000113.6
407L32.1Very low34Very low167 Ų167137.6 Ų137.687%0.87480%0.795SS**  76.3152.666-78.9174.1000116.8
408H36.9Very low33.8Very low188 Ų188136.5 Ų136.587%0.8779%0.791SS**  trans78.6149-172.4-62.4-125.3000116.4
409S32.6Very low33.9Very low105 Ų105135.4 Ų135.473%0.73480%0.795SS**  cis-169.3164-38.1-161.10000109.5
410S35.2Very low33.7Very low103 Ų103135.4 Ų135.472%0.7280%0.795SS**  trans62.1124.8-177.170.10000114.9
411S35.8Very low33.7Very low108 Ų108136.2 Ų136.276%0.75580%0.798SS**  cis79.892.116.4-37.60000116
412F33.5Very low33.5Very low196 Ų196141.6 Ų141.686%0.8681%0.809SS**  trans-141.5134.8139.1-108.4-79.4000109.2
413S30.2Very low33Very low113 Ų113139.9 Ų139.979%0.7981%0.807SS**  trans-147.8130.2174.9-58.30000108.6
414L32.3Very low32.8Very low157 Ų157141.4 Ų141.482%0.82282%0.815SS**  trans-135.993172.7-74.4177.8000109.3
415N27.5Very low32.7Very low159 Ų159136.6 Ų136.685%0.8580%0.804SS**  trans-70.4142.3149.5-71.7-31.1000108
416L32.5Very low32.8Very low169 Ų169138.7 Ų138.789%0.88580%0.798SS**  trans-157.4156.2146.7-110168.5000110.2
417T32.1Very low32.8Very low121 Ų121143.2 Ų143.274%0.74280%0.798SS**  trans-101.3159.9-158.341.20000114
418P34Very low32.9Very low124 Ų124143.6 Ų143.681%0.80579%0.788SS**  trans-82.8149.5-172.132.9-36.7000114
419T34Very low32.8Very low137 Ų137139.4 Ų139.484%0.8477%0.768SS**  trans-142.9142.1166.953.80000112.5
420S29.6Very low32.8Very low118 Ų118142.3 Ų142.383%0.82576%0.763SS**  trans-96.5169.3-172.9-54.50000113
421P36.6Very low32.9Very low125 Ų125141.8 Ų141.881%0.81276%0.757SS**  trans-96.1174.7-144.838.1-39.8000116.4
422K33.2Very low32.9Very low214 Ų214140.5 Ų140.593%0.9375%0.745SS**  trans-148.3155.5162.1-110.4164.3-171.6171.30113.5
423V27.2Very low32.9Very low133 Ų133140.5 Ų140.581%0.80674%0.741SS**  trans-109.5142.7-170167.90000111
424L31.3Very low33Very low157 Ų157141.6 Ų141.682%0.82274%0.737SS**  trans-162.2151.6138.5-14151.9000117.2
425S32.1Very low32.9Very low80 Ų80137 Ų13756%0.55973%0.727SS**  trans-57.1169178.763.60000118
426K36.1Very low33.2Very low168 Ų168137 Ų13773%0.7373%0.727SS**  -177.5141.880.5-112139.8-179.8-178.60117
427K34.2Very low33Very low165 Ų165137.8 Ų137.872%0.71773%0.725SS**  trans62.4160.7139.9-74-168.1159.9-168.40120.1
428R33.4Very low33Very low175 Ų175137 Ų13766%0.6673%0.732SS**  cis-169.6169.6-10.7-116.6-172.3172.1-153.8-19.8107.8
429E35.4Very low32.8Very low100 Ų100137.1 Ų137.147%0.46773%0.73SS.*  cis-162.5147.3-17.7-145.7158.2-136.800112.6Q488E429-Q488 PolarHBondContact O-NE2 2.85Å; E429-Q488 PolarHBondContact O-OE1 3.24Å; E429-Q488 VanDerWaalsContact O-OE1 3.11Å
430R32.9Very low32.7Very low167 Ų167135.4 Ų135.463%0.6372%0.724SS**  trans1.7159.9149.2-105173.5174.9-177.9-4.3122.5T432R430-T432 WeakPolarHBondContact CD-OG1 3.31Å; R430-T432 WeakPolarHBondContact CG-OG1 3.4Å; R430-T432 PolarHBondContact NE-OG1 2.92Å
431P36.6Very low32.9Very low91 Ų91134.5 Ų134.559%0.59172%0.718SS**  -127.6170.563.115.88.6000114.6S489P431-S489 PolarHBondContact O-OG 2.84Å
432T35.9Very low32.7Very low82 Ų82133.6 Ų133.650%0.50371%0.714SS.*  cis90.712520.2-50.40000114.9R430R430-T432 WeakPolarHBondContact CD-OG1 3.31Å; R430-T432 WeakPolarHBondContact CG-OG1 3.4Å; R430-T432 PolarHBondContact NE-OG1 2.92Å
433Y33.6Very low32.7Very low196 Ų196132.9 Ų132.977%0.76971%0.711SS**  -178146.588.2-172-134.5000114.9
434L33.2Very low33Very low136 Ų136131.1 Ų131.171%0.71271%0.711SS**  trans61.1153.3168-67.1177.7000122.3
435G30.8Very low33.1Very low59 Ų59127.1 Ų127.161%0.60871%0.707SS**  cis157149.5-14.100000116.9
436L33.1Very low33.1Very low161 Ų161129.8 Ų129.884%0.84372%0.72SS**  trans68.9131.2174.2-51.9170.3000115.3
437E28Very low33Very low184 Ų184126.7 Ų126.786%0.8672%0.72SS**  cis74.9114.131.2-64.2-157153.400117.3
438A32.7Very low33Very low106 Ų106128 Ų12888%0.87673%0.728SS**  trans-172.2161.7137.800000111.7
439T29.6Very low33.2Very low126 Ų126122.7 Ų122.777%0.77373%0.728SS**  trans-106.6157.4-167.652.40000115.3
440S30.3Very low33.5Very low100 Ų100123.8 Ų123.870%0.69974%0.744SS**  trans68.9148.2138.659.90000123.2
441S33.7Very low33.7Very low100 Ų100123.1 Ų123.170%0.69976%0.758SS**  trans69.9101.1144.956.40000121.9
442S33.4Very low33.6Very low106 Ų106129.1 Ų129.174%0.74177%0.768SS**  75.1134.111968.90000123.8
443F33.1Very low33.4Very low199 Ų199134.2 Ų134.287%0.87378%0.784SS**  trans92.4109.4137.6-120-101.3000121.7
444A34.7Very low33.6Very low96 Ų96130 Ų13079%0.79378%0.783SS**  trans57.4160.5144.400000121.4
445G32.3Very low33.7Very low72 Ų72128.5 Ų128.574%0.74278%0.784SS**  trans149.819.2158.900000123.6
446V33.3Very low33.8Very low136 Ų136132.1 Ų132.182%0.82479%0.788SS**  trans30.9132.7146.5178.60000121.7
447S33.2Very low33.9Very low104 Ų104132.4 Ų132.473%0.72779%0.785SS**  trans74148.7157.7-82.20000119.7
448E34.3Very low34Very low192 Ų192129.6 Ų129.690%0.89779%0.785SS**  cis-123.6-142.7-12.3-59.7-159.3142.800110.1
449G36.7Very low33.8Very low63 Ų63128.1 Ų128.165%0.64978%0.78SS**  cis172121-3.100000112.9
450P43Very low33.9Very low124 Ų124126.2 Ų126.281%0.80579%0.785SS**  trans-117.2157.5-168.640.5-33.3000117.5
451V35.4Very low33.9Very low152 Ų152126.9 Ų126.992%0.92179%0.79SS**  trans-127.8162.1171.8-177.30000110.8
452R34.6Very low33.8Very low217 Ų217129 Ų12982%0.81980%0.798SS**  trans-138168.5-158.7-52.5165157.4157.8-11.4115.3
453K32.3Very low33.9Very low189 Ų189134.8 Ų134.882%0.82280%0.804SS**  trans76.5118.3149.7-68178177.2-177.30121.7
454S37.6Very low34Very low108 Ų108131.1 Ų131.176%0.75580%0.8SS**  174.3131.8116.747.30000108.8
455S35.7Very low33.8Very low104 Ų104133.7 Ų133.773%0.72780%0.799SS**  66.714071.296.70000113.5
456L31.7Very low33.8Very low135 Ų135138 Ų13871%0.70780%0.797SS**  cis-167166.93.1-127.6171.1000110.8
457H35.5Very low33.6Very low167 Ų167139.3 Ų139.377%0.77379%0.794SS**  trans66.3163172-52.6114.9000116.9
458C30.5Very low33.7Very low126 Ų126140.5 Ų140.585%0.85180%0.802SS**  cis-139.4169.42.9-161.10000111.2
459G28.1Very low33.6Very low75 Ų75134.7 Ų134.777%0.77380%0.795SS**  trans-123.9159.117900000114.2
460G33.4Very low33.4Very low85 Ų85139.9 Ų139.988%0.87681%0.806SS**  trans-165.4154.1177.900000111.4
461S28.7Very low32.7Very low115 Ų115138.8 Ų138.880%0.80480%0.801SS**  trans-139.8133.7-165161.70000112.6
462V33.2Very low32.9Very low145 Ų145137.4 Ų137.488%0.87980%0.795SS**  trans-143.4148.2169.2-174.40000109.7
463R34.5Very low32.8Very low227 Ų227132.9 Ų132.986%0.85779%0.791SS**  trans-105.2153.8178.4-64.8178.6176.1-178.8-1.6111.8
464P35.9Very low32.8Very low122 Ų122131.9 Ų131.979%0.79279%0.79SS**  trans-99.5144.9-176.437-33.5000114.7
465I29.5Very low32.6Very low150 Ų150132.8 Ų132.877%0.76978%0.782SS**  trans-155.1158.6164.9-21.3171.4000112
466F31.8Very low32.6Very low163 Ų163134.5 Ų134.572%0.71578%0.776SS**  trans81.298.5157.4-77.7-70.1000123.3
467E30.7Very low32.7Very low163 Ų163138.9 Ų138.976%0.76278%0.783SS**  54.1150.6119.7-68-167.113700127.2
468S33.4Very low32.5Very low128 Ų128135.9 Ų135.990%0.89578%0.781SS**  trans88.4151.7147.679.50000119.8
469G32.5Very low32.8Very low71 Ų71141.1 Ų141.173%0.73278%0.783SS**  trans140.447.5167.600000121.3
470I32.9Very low33Very low172 Ų172143.2 Ų143.288%0.88278%0.781SS**  trans27.3137143-60.3168000121.4
471S29.3Very low32.9Very low100 Ų100144.6 Ų144.670%0.69978%0.777SS**  trans-79.5158.6174.7179.80000115
472P38.5Very low33Very low123 Ų123142.7 Ų142.780%0.79977%0.768SS**  -141.9-176.4127.439.6-25.7000117
473T33.8Very low33Very low122 Ų122143.1 Ų143.175%0.74877%0.765SS**  trans-100.7155.2-15347.80000118.7
474E32Very low32.9Very low168 Ų168139.5 Ų139.579%0.78576%0.761SS**  trans70.5136.7137.8-78.4-157.9127.800125.8
475E32.8Very low32.5Very low128 Ų128138.1 Ų138.160%0.59876%0.755SS**  trans93.4140.3131.8-92.3-157.1120.400126.6
476K35.3Very low32.9Very low139 Ų139136.1 Ų136.160%0.60475%0.752SS**  trans81.7115.4142.7-81.5161.6172.5132.90123.1
477R33.5Very low32.7Very low227 Ų227133.8 Ų133.886%0.85775%0.751SS**  trans68.9127.1146.6-61.4171.1173.1163.2-3.7117
478S33.2Very low32.8Very low104 Ų104131.7 Ų131.773%0.72774%0.741SS**  cis88.594.634.1-168.20000116
479R36.4Very low32.7Very low236 Ų236128.4 Ų128.489%0.89172%0.718SS**  trans-169.9118.5142.5-100.3160.3177.6163.2-1.9106
480V31.2Very low32.7Very low119 Ų119129 Ų12972%0.72171%0.711SS**  80.3126.154.9174.60000112.5
481S32.5Very low32.5Very low115 Ų115127 Ų12780%0.80470%0.702SS**  trans73.2148.5173.3-65.50000118
482A30.8Very low32.7Very low74 Ų74128.6 Ų128.661%0.61271%0.71SS**  cis-171.2165.9-2300000109.5
483L32.8Very low32.4Very low155 Ų155129.5 Ų129.581%0.81271%0.707SS**  trans67156166.6-42.7-179.3000115.1
484L31.9Very low32.3Very low150 Ų150130.8 Ų130.879%0.78571%0.709SS**  cis-152.8149.4-28.4-114.6167.4000106.6
485S28.3Very low32.3Very low93 Ų93128.3 Ų128.365%0.6571%0.707SS**  trans-81.4166.9168.761.20000110.7
486P36.7Very low32.4Very low109 Ų109127 Ų12771%0.70871%0.713SS**  -157.7125.191.737.4-15.6000119
487T29.1Very low32.2Very low113 Ų113125.8 Ų125.869%0.69372%0.719SS**  63158.4125.472.20000125.2
488Q32.3Very low32.1Very low119 Ų119120.7 Ų120.756%0.55672%0.716SS**  trans81.7153.2157.8-62.5-168.3100.700119.4E429E429-Q488 PolarHBondContact O-NE2 2.85Å; E429-Q488 PolarHBondContact O-OE1 3.24Å; E429-Q488 VanDerWaalsContact O-OE1 3.11Å
489S30.9Very low31.8Very low60 Ų60122.9 Ų122.942%0.4273%0.726SS.*  cis-164.2173.1-23700000109.2P431P431-S489 PolarHBondContact O-OG 2.84Å
490S33.2Very low31.5Very low82 Ų82114.8 Ų114.857%0.57372%0.716SS**  cis-158.1166.85.261.40000111.8
491N28.7Very low31.5Very low132 Ų132117.3 Ų117.371%0.70672%0.724SS**  trans-61.7176173.9-55.9-7.5000114.8
492P33Very low31.5Very low133 Ų133116.2 Ų116.286%0.86472%0.717SS**  -126.1173.4107.138.3-34.5000115.1
493L32Very low31.4Very low141 Ų141121 Ų12174%0.73872%0.724SS**  trans-137.8163-176-109.7173.4000109.6
494L31.4Very low31Very low150 Ų150121 Ų12179%0.78572%0.723SS**  trans69.7163.8166.3-70.1167.8000115.7
495P32.1Very low30.7Very low115 Ų115121.4 Ų121.475%0.74772%0.721SS**  cis-123.8170.11142.4-29.2000116.9
496S34.6Very low30.6Very low102 Ų102123.9 Ų123.971%0.71373%0.726SS**  trans-89.7149.6159.751.20000111.3
497P31.8Very low30.1Very low113 Ų113123.5 Ų123.573%0.73473%0.726SS**  -134.7174.4128.441.6-31.1000110.2
498C30.6Very low30Very low119 Ų119122.4 Ų122.480%0.80472%0.723SS**  cis-134.3144.713.6-54.30000112.2
499T28.1Very low29.9Very low150 Ų150122 Ų12292%0.9273%0.73SS**  trans-102.6143.1146.634.50000108.7
500G29.8Very low29.7Very low66 Ų66127.3 Ų127.368%0.6875%0.753SS**  trans170.9139.4175.600000113.8
501L31.3Very low29.5Very low172 Ų172131.5 Ų131.590%0.90176%0.764SS**  trans66.8139.3178.9-48.5-177.4000116.3
502S32.4Very low29.5Very low93 Ų93133.2 Ų133.265%0.6577%0.767SS**  cis-177.2122-47.339.60000107.8L504S502-L504 PolarHBondContact O-N 3.01Å
503K27.6Very low29.3Very low175 Ų175138.2 Ų138.276%0.76177%0.771SS**  trans13.398.9159.6-167.4-176.7-179.2-171.60116.7E505K503-E505 WeakPolarHBondContact CE-OE2 3.28Å; K503-E505 IonicContact NZ-OE2 2.69Å
504L26.1Very low29.2Very low153 Ų153143 Ų14380%0.80178%0.779SS**  trans-127.5121.7155.2-89.7175.2000109.1S502 I506S502-L504 PolarHBondContact O-N 3.01Å; L504-I506 HydrophobicContact CB-CD1 4.39Å; L504-I506 HydrophobicContact CD2-CD1 4.11Å
505E24.6Very low29.1Very low159 Ų159140.5 Ų140.574%0.74377%0.774SS**  trans-91.5114.1166-67.4159.1112.900107.2K503K503-E505 WeakPolarHBondContact CE-OE2 3.28Å; K503-E505 IonicContact NZ-OE2 2.69Å
506I27.3Very low29Very low146 Ų146143 Ų14375%0.74978%0.78SS**  trans-138.2143.1158.6-76.9100.4000107.6L504L504-I506 HydrophobicContact CB-CD1 4.39Å; L504-I506 HydrophobicContact CD2-CD1 4.11Å
507S25.9Very low28.6Very low101 Ų101146.4 Ų146.471%0.70679%0.79SS**  trans-81.1175.5-172.551.40000114.9
508S25.5Very low28.4Very low90 Ų90145.8 Ų145.863%0.62979%0.788SS**  trans-20.2139152.6-176.30000114.9L510S508-L510 PolarHBondContact OG-N 2.94Å
509P30.6Very low28.4Very low110 Ų110146.7 Ų146.771%0.71479%0.79SS**  -128.597.1110.913.66.2000112.8E511P509-E511 PolarHBondContact O-N 2.92Å
510L27.7Very low28.5Very low172 Ų172145.3 Ų145.390%0.90179%0.786SS**  trans-88.531.5161.3-164.577000111S508S508-L510 PolarHBondContact OG-N 2.94Å
511E28.9Very low28.4Very low169 Ų169153.4 Ų153.479%0.7980%0.796SS**  trans-149.935.3-158-152.4157.7-13500115.6P509P509-E511 PolarHBondContact O-N 2.92Å
512E28.8Very low28.4Very low168 Ų168149.5 Ų149.579%0.78579%0.789SS**SBendtrans-1272.5-179.4-140.9165.4-147.100115.9
513Y27.9Very low28.5Very low239 Ų239150.3 Ų150.394%0.93779%0.792SS**SBendtrans-112.219.3179.6-112-90.4000115.1
514R30.1Very low28.7Very low240 Ų240147.3 Ų147.391%0.90679%0.793SS**SBendtrans-119.44177.7-81.1-175.4167.5138.1-0.7115.2
515S28.5Very low29.1Very low98 Ų98145.8 Ų145.869%0.68580%0.795SS**SBendtrans-101.810.3-166.4-49.50000115.6
516L30.6Very low29.3Very low168 Ų168147.4 Ų147.488%0.8880%0.8SS**SBendtrans-120.214-175.2-67.9177.9000115
517L27Very low29.7Very low173 Ų173147.1 Ų147.191%0.90680%0.804SS**SBendtrans-134.350.7-178-71.4175.9000113.9
518S26.3Very low29.9Very low100 Ų100147.7 Ų147.770%0.69981%0.806SS**  trans-161.8157.4161.564.40000111.7
519V30.6Very low30.1Very low138 Ų138146.8 Ų146.884%0.83681%0.81SS**  trans69.6123.8173.8-172.70000113.9
520S30.1Very low30.2Very low121 Ų121150.7 Ų150.785%0.84682%0.819SS**  cis-151.4-174.5-1.4-139.40000113
521R29.1Very low30.2Very low236 Ų236149.2 Ų149.289%0.89182%0.817SS**  trans-120110.5-157.4-179.4-176.8-176.4171.82115.6
522A30Very low30.2Very low90 Ų90148.7 Ų148.774%0.74482%0.818SS**  trans63.1176.7150.800000118.5
523P36.2Very low30.4Very low111 Ų111146.3 Ų146.372%0.72182%0.818SS**  cis-131.5172.3-15.930.2-8.9000116.5
524S31.1Very low30.4Very low111 Ų111137.2 Ų137.278%0.77680%0.796SS**  trans57.1118144.263.10000123.5
525S34Very low30.5Very low122 Ų122132.2 Ų132.285%0.85380%0.795SS**  -164.5159.2113.962.80000112.4
526F28.7Very low30.5Very low193 Ų193136 Ų13685%0.84680%0.802SS**  trans-80.1147.7-179.2-88-126000112.9
527V35Very low30.3Very low139 Ų139133.6 Ų133.684%0.84280%0.799SS**  -156.7135.4114175.60000108.1
528P31.1Very low30.3Very low114 Ų114129.1 Ų129.174%0.7479%0.787SS**  trans-94.4147.7177.535.8-33.2000113.5
529G29Very low30.4Very low70 Ų70131.6 Ų131.672%0.72279%0.791SS**  trans141.682.9158.600000117.2
530H33.1Very low30.2Very low192 Ų192133.1 Ų133.189%0.88979%0.789SS**  trans-169.6136.4130.5-112.7-82.6000109.3
531V27.1Very low30.1Very low141 Ų141133.5 Ų133.586%0.85578%0.779SS**  trans-85.5119.6-177.6179.60000110.1
532L29.3Very low30.1Very low158 Ų158126.5 Ų126.583%0.82776%0.759SS**  trans-123.4131.6165-80166.9000108.2
533P33.3Very low29.9Very low118 Ų118131.4 Ų131.477%0.76676%0.763SS**  trans-70136.8178.229.1-33.7000110.9
534G28.5Very low29.7Very low48 Ų48130.8 Ų130.850%0.49575%0.749SS.*  trans-72.3170.3176.400000113.5E536G534-E536 PolarHBondContact O-N 2.83Å
535P31.4Very low29.5Very low136 Ų136132.2 Ų132.288%0.88374%0.742SS**THydrogen-bonded Turntrans-7854.2-175.234.5-37.8000113.6
536E28.9Very low29.4Very low177 Ų177131.7 Ų131.783%0.82774%0.735SS**THydrogen-bonded Turntrans-95.9-5.7170.8-63.8-168128.500112.6G534 A538G534-E536 PolarHBondContact O-N 2.83Å; E536-A538 VanDerWaalsContact C-N 3.29Å; E536-A538 PolarHBondContact O-N 2.83Å; E536-A538 VanDerWaalsContact O-N 3.12Å
537S26.3Very low29.3Very low117 Ų117130.2 Ų130.282%0.81873%0.729SS**THydrogen-bonded Turntrans-84.630.4-171.751.20000115.7
538A27.5Very low29.1Very low79 Ų79126.6 Ų126.665%0.65370%0.704SS**THydrogen-bonded Turntrans-130.6-16.6176.700000115E536 Q540E536-A538 VanDerWaalsContact C-N 3.29Å; E536-A538 PolarHBondContact O-N 2.83Å; E536-A538 VanDerWaalsContact O-N 3.12Å; A538-Q540 PolarHBondContact O-N 2.95Å
539I28.3Very low29.1Very low152 Ų152122.9 Ų122.978%0.77968%0.681SS**  trans-8469.8177.2-49.7-179.1000109.5M541I539-M541 VanDerWaalsContact C-N 3.35Å; I539-M541 PolarHBondContact O-N 3.04Å
540Q27Very low29.3Very low170 Ų170125.1 Ų125.179%0.79469%0.686SS**  trans-70.896162.5-74.3-164.22.800109A538 L542A538-Q540 PolarHBondContact O-N 2.95Å; Q540-L542 VanDerWaalsContact C-N 3.31Å; Q540-L542 PolarHBondContact O-N 3.5Å
541M27.1Very low29.4Very low130 Ų130126.1 Ų126.164%0.6468%0.683SS**  trans-56.298.7156.3-76.5178.763.500108.3I539 K543I539-M541 VanDerWaalsContact C-N 3.35Å; I539-M541 PolarHBondContact O-N 3.04Å; M541-K543 PolarHBondContact O-N 2.97Å; M541-K543 VanDerWaalsContact O-N 3.07Å
542L29.2Very low30Very low89 Ų89120.9 Ų120.947%0.46665%0.652SS.*  trans-57.8116.8169.7-76.7174000108F86 Q540 F544F86-L542 HydrophobicContact CE2-CD1 4.25Å; F86-L542 HydrophobicContact CZ-CD1 4.04Å; Q540-L542 VanDerWaalsContact C-N 3.31Å; Q540-L542 PolarHBondContact O-N 3.5Å; L542-F544 VanDerWaalsContact C-N 3.3Å; L542-F544 HydrophobicContact CB-CD2 4.5Å; L542-F544 HydrophobicContact CB-CE2 4.39Å; L542-F544 PolarHBondContact O-N 3.3Å
543K26.8Very low30.3Very low192 Ų192115.9 Ų115.984%0.83563%0.63SS**  trans-74.383.8-175.7-70.3177.7178.3173.60109.6M541 K545M541-K543 PolarHBondContact O-N 2.97Å; M541-K543 VanDerWaalsContact O-N 3.07Å; K543-K545 PolarHBondContact O-N 3.4Å
544F31.1Very low30.9Very low98 Ų98111.1 Ų111.143%0.4360%0.598SS.*  trans-67.466.7164.5-79-80.9000110.9L542 L554 F759L542-F544 VanDerWaalsContact C-N 3.3Å; L542-F544 HydrophobicContact CB-CD2 4.5Å; L542-F544 HydrophobicContact CB-CE2 4.39Å; L542-F544 PolarHBondContact O-N 3.3Å; F544-L554 HydrophobicContact CD1-CD1 4.43Å; F544-L554 HydrophobicContact CG-CD1 4.47Å; F544-F759 HydrophobicContact CE1-CB 4.46Å
545K27.4Very low31.7Very low142 Ų142113.7 Ų113.762%0.61760%0.597SS**  trans-146.8128.2168.3-62.3-170.1-178.4-176.50106.7K543K543-K545 PolarHBondContact O-N 3.4Å
546P30.5Very low32.7Very low110 Ų110111 Ų11171%0.71458%0.578SS**SBendcis-143.272.931.640.1-18.5000115.3
547F28.3Very low34.2Very low163 Ų163103 Ų10372%0.71554%0.541SS*.SBendtrans-132.57.2175.9-80.7-66.2000116.6
548L30.2Very low36.3Very low62 Ų62106.1 Ų106.133%0.32554%0.535SS..SBendtrans-103.3142.8173.6-55.1-176.9000110.3L554 F764L548-L554 HydrophobicContact CD1-CD1 3.55Å; L548-L554 HydrophobicContact CD1-CG 3.8Å; L548-F764 HydrophobicContact CD2-CB 3.63Å; L548-F764 HydrophobicContact CD2-CD2 3.47Å; L548-F764 VanDerWaalsContact CD2-CD2 3.47Å; L548-F764 HydrophobicContact CD2-CE2 4.38Å; L548-F764 HydrophobicContact CD2-CG 3.78Å
549S31.3Very low38.8Very low37 Ų37105 Ų10526%0.25952%0.515SS..  trans-73.1166.1-17866.30000112.4Y551 N766S549-Y551 PolarHBondContact O-N 3.33Å; S549-N766 WeakPolarHBondContact CB-ND2 3.43Å; S549-N766 WeakPolarHBondContact CB-OD1 3.14Å; S549-N766 PolarHBondContact OG-OD1 3.21Å
550S33Very low41.3Very low117 Ų11798.8 Ų98.882%0.81848%0.483SS*.THydrogen-bonded Turntrans-62.88.6-160.6-42.10000117.9
551Y35.7Very low43.9Very low213 Ų21393.1 Ų93.184%0.83546%0.461SS*.THydrogen-bonded Turntrans-127.4-10.7-167.3-68.8-79.2000115.5S549S549-Y551 PolarHBondContact O-N 3.33Å
552T38.1Very low46.5Very low30 Ų3087 Ų8718%0.18443%0.431CS..  trans-124.494.8179.243.70000112.3L554T552-L554 PolarHBondContact O-N 3.47Å
553S36.6Very low48.3Very low53 Ų5386.2 Ų86.237%0.37143%0.433SS..  trans-89.7100.9176.2-169.30000111.3Q555 T556S553-Q555 PolarHBondContact O-N 3.13Å; S553-Q555 WeakPolarHBondContact OG-CB 3.07Å; S553-Q555 WeakPolarHBondContact OG-CG 3.37Å; S553-T556 PolarHBondContact O-N 3.2Å; S553-T556 PolarHBondContact O-OG1 3.4Å
554L44.9Very low49.6Very low19 Ų1982.1 Ų82.110%0.09942%0.424CS..G310 helixtrans-60.3-6.5170.7-59.8178.7000113.2F544 L548 T552 T556 L557 F759F544-L554 HydrophobicContact CD1-CD1 4.43Å; F544-L554 HydrophobicContact CG-CD1 4.47Å; L548-L554 HydrophobicContact CD1-CD1 3.55Å; L548-L554 HydrophobicContact CD1-CG 3.8Å; T552-L554 PolarHBondContact O-N 3.47Å; L554-T556 PolarHBondContact O-N 2.92Å; L554-L557 HydrophobicContact CD2-CD1 3.68Å; L554-L557 PolarHBondContact O-N 2.69Å; L554-F759 HydrophobicContact CD1-CD1 4.28Å; L554-F759 HydrophobicContact CD1-CE1 4.14Å; L554-F759 HydrophobicContact CD2-CE1 4.37Å
555Q45.6Very low50.8Low101 Ų10179.8 Ų79.847%0.47242%0.418SS..G310 helixtrans-67.4-17.7174.8-49.8-168.1-92.700113.3S553S553-Q555 PolarHBondContact O-N 3.13Å; S553-Q555 WeakPolarHBondContact OG-CB 3.07Å; S553-Q555 WeakPolarHBondContact OG-CG 3.37Å
556T52.8Low52.3Low79 Ų7974.7 Ų74.749%0.48540%0.397SS..G310 helixtrans-79.4-28.5174.9-40.90000112S553 L554 R558S553-T556 PolarHBondContact O-N 3.2Å; S553-T556 PolarHBondContact O-OG1 3.4Å; L554-T556 PolarHBondContact O-N 2.92Å; T556-R558 PolarHBondContact O-N 2.94Å
557L61.1Low53.1Low11 Ų1173.9 Ų73.96%0.05839%0.392CS..SBendtrans-68121.4178.1-68175.3000110L88 F95 F99 L554 F559L88-L557 HydrophobicContact CD1-CD2 4.29Å; F95-L557 HydrophobicContact CD2-CD1 4.08Å; F95-L557 HydrophobicContact CD2-CD2 3.51Å; F95-L557 HydrophobicContact CD2-CG 4.47Å; F95-L557 HydrophobicContact CE2-CD1 3.7Å; F95-L557 HydrophobicContact CE2-CD2 3.94Å; F95-L557 HydrophobicContact CE2-CG 4.48Å; F95-L557 HydrophobicContact CG-CD2 4.43Å; F99-L557 HydrophobicContact CD2-CD2 3.74Å; F99-L557 HydrophobicContact CD2-CG 4.31Å; F99-L557 HydrophobicContact CE2-CD1 4.42Å; F99-L557 HydrophobicContact CE2-CD2 3.44Å; F99-L557 VanDerWaalsContact CE2-CD2 3.44Å; F99-L557 HydrophobicContact CE2-CG 3.7Å; F99-L557 HydrophobicContact CZ-CG 4.4Å; L554-L557 HydrophobicContact CD2-CD1 3.68Å; L554-L557 PolarHBondContact O-N 2.69Å; L557-F559 HydrophobicContact CB-CD2 4.27Å; L557-F559 HydrophobicContact CB-CE1 4.48Å; L557-F559 HydrophobicContact CB-CE2 3.5Å; L557-F559 HydrophobicContact CB-CZ 3.64Å; L557-F559 HydrophobicContact CD1-CE2 4.35Å; L557-F559 HydrophobicContact CD1-CZ 3.81Å; L557-F559 HydrophobicContact CG-CZ 4.38Å; L557-F559 WeakPolarHBondContact O-CD2 3.44Å
558R69.6Low53.8Low182 Ų18271.7 Ų71.769%0.68739%0.393SS*.  trans-88.4120.1177.1-58.2178.1-179.2170.3-0.7108.5K89 T556K89-R558 HydrophobicContact CB-CB 3.91Å; K89-R558 VanDerWaalsContact CB-O 3.25Å; K89-R558 WeakPolarHBondContact CB-O 3.38Å; K89-R558 HydrophobicContact CD-CB 3.74Å; K89-R558 HydrophobicContact CG-CB 4.26Å; K89-R558 PolarHBondContact N-O 3.19Å; T556-R558 PolarHBondContact O-N 2.94Å
559F81.1Confident54.4Low55 Ų5575 Ų7524%0.24141%0.407CS..EExtended strand (participates in β ladder)trans-112.3136.3176.8-62-76.5000109.6V53 F86 L87 L88 L557V53-F559 HydrophobicContact CB-CE1 4.46Å; V53-F559 HydrophobicContact CG1-CD1 4.15Å; V53-F559 HydrophobicContact CG1-CE1 3.8Å; V53-F559 HydrophobicContact CG2-CD1 4.11Å; V53-F559 HydrophobicContact CG2-CE1 3.76Å; F86-F559 HydrophobicContact CB-CB 4.07Å; F86-F559 HydrophobicContact CB-CD1 4.17Å; F86-F559 HydrophobicContact CB-CG 4.47Å; F86-F559 HydrophobicContact CD1-CB 3.76Å; F86-F559 HydrophobicContact CE1-CB 4.42Å; F86-F559 HydrophobicContact CG-CB 4.01Å; L87-F559 WeakPolarHBondContact O-CA 3.48Å; L88-F559 HydrophobicContact CD1-CD1 4.21Å; L88-F559 HydrophobicContact CD1-CE1 3.82Å; L557-F559 HydrophobicContact CB-CD2 4.27Å; L557-F559 HydrophobicContact CB-CE1 4.48Å; L557-F559 HydrophobicContact CB-CE2 3.5Å; L557-F559 HydrophobicContact CB-CZ 3.64Å; L557-F559 HydrophobicContact CD1-CE2 4.35Å; L557-F559 HydrophobicContact CD1-CZ 3.81Å; L557-F559 HydrophobicContact CG-CZ 4.38Å; L557-F559 WeakPolarHBondContact O-CD2 3.44Å
560E80.4Confident54.4Low22 Ų2278.8 Ų78.810%0.10343%0.431CS..EExtended strand (participates in β ladder)trans-100.7114.3172.2-154.9168101.500109.6S61 I62 F86 L87 K89 C562S61-E560 WeakPolarHBondContact CA-OE2 3.37Å; S61-E560 WeakPolarHBondContact CB-OE2 3.37Å; S61-E560 VanDerWaalsContact OG-CD 3.31Å; S61-E560 PolarHBondContact OG-OE1 3.17Å; S61-E560 PolarHBondContact OG-OE2 2.98Å; I62-E560 WeakPolarHBondContact CB-OE1 3.23Å; I62-E560 HydrophobicContact CD1-CB 4.3Å; I62-E560 HydrophobicContact CD1-CG 4Å; I62-E560 WeakPolarHBondContact CD1-OE1 3.2Å; I62-E560 HydrophobicContact CG1-CG 4.35Å; I62-E560 WeakPolarHBondContact CG1-OE1 3.4Å; I62-E560 PolarHBondContact N-OE1 2.95Å; F86-E560 WeakPolarHBondContact CA-O 3.46Å; L87-E560 HydrophobicContact CB-CB 4.32Å; L87-E560 PolarHBondContact N-O 3.38Å; L87-E560 PolarHBondContact O-N 2.94Å; K89-E560 WeakPolarHBondContact CE-OE2 3.43Å; K89-E560 HydrophobicContact CG-CB 4.3Å; K89-E560 IonicContact NZ-OE2 2.63Å; K89-E560 PolarHBondContact NZ-OE2 2.89Å; E560-C562 PolarHBondContact O-N 2.82Å
561P81.8Confident54.2Low51 Ų5180 Ų8033%0.33143%0.427SS..EExtended strand (participates in β ladder)trans-67.5125.8177.326.9-32.7000110.1F86 T564F86-P561 HydrophobicContact CD1-CB 4.14Å; F86-P561 HydrophobicContact CE1-CB 3.98Å; P561-T564 PolarHBondContact O-OG1 3.39Å
562C81.3Confident53.9Low0 Ų078 Ų780%042%0.424CS..G310 helixtrans-79.5-24.6-172.9-61.60000113.3I62 V85 E560 T564 V565 M566I62-C562 HydrophobicContact CD1-CB 4.13Å; V85-C562 HydrophobicContact CB-CB 4.31Å; V85-C562 HydrophobicContact CG1-CB 4.22Å; V85-C562 PolarHBondContact O-N 2.63Å; E560-C562 PolarHBondContact O-N 2.82Å; C562-T564 PolarHBondContact O-N 2.87Å; C562-V565 PolarHBondContact O-N 2.86Å; C562-M566 PolarHBondContact O-N 3.03Å
563S66.6Low53.4Low74 Ų7483.9 Ų83.952%0.51745%0.454SS..G310 helixtrans-70.8-5.6-175.841.20000115.6
564T54.8Low52.9Low105 Ų10584.8 Ų84.864%0.64447%0.465SS*.G310 helixtrans-108.5-10.3175.553.90000114.3P561 C562P561-T564 PolarHBondContact O-OG1 3.39Å; C562-T564 PolarHBondContact O-N 2.87Å
565V56.8Low52.3Low50 Ų5088.7 Ų88.730%0.30349%0.489SS..THydrogen-bonded Turntrans-115.3-26.9-169.4-171.10000113I62 L63 C562 P567I62-V565 HydrophobicContact CB-CG1 4.14Å; I62-V565 HydrophobicContact CD1-CB 4.12Å; I62-V565 HydrophobicContact CD1-CG2 4.21Å; I62-V565 HydrophobicContact CG2-CB 4.26Å; I62-V565 HydrophobicContact CG2-CG1 3.82Å; L63-V565 HydrophobicContact CD2-CG1 3.99Å; C562-V565 PolarHBondContact O-N 2.86Å; V565-P567 WeakPolarHBondContact O-CD 3.38Å
566M57.8Low51.5Low35 Ų3590.9 Ų90.917%0.17251%0.51CS..SBendtrans-87.8115.4179.9-61.8-79.175.900111.4I62 F72 C562I62-M566 HydrophobicContact CG2-CE 3.42Å; I62-M566 VanDerWaalsContact CG2-CE 3.42Å; I62-M566 HydrophobicContact CG2-SD 4.1Å; F72-M566 HydrophobicContact CD2-CE 4.14Å; F72-M566 HydrophobicContact CD2-SD 4.18Å; F72-M566 HydrophobicContact CE2-CE 3.5Å; F72-M566 HydrophobicContact CE2-SD 3.9Å; F72-M566 HydrophobicContact CZ-CE 4Å; F72-M566 HydrophobicContact CZ-SD 4.11Å; C562-M566 PolarHBondContact O-N 3.03Å
567P47.4Very low50.7Low93 Ų9391.8 Ų91.860%0.60451%0.511SS*.  trans-71.1143.1176.229.2-34.2000111.4V565 H569V565-P567 WeakPolarHBondContact O-CD 3.38Å; P567-H569 PolarHBondContact O-N 3.29Å
568P43.8Very low49.4Very low116 Ų11694 Ų9475%0.75353%0.527SS*.SBendtrans-7199.3-179.328.4-34.3000111.4
569H41.1Very low47.9Very low132 Ų13290.9 Ų90.961%0.61153%0.531SS*.  trans64.7142.5-178.8-60-81.8000116.6P567 I571P567-H569 PolarHBondContact O-N 3.29Å; H569-I571 PolarHBondContact O-N 3.26Å
570P32.4Very low46Very low116 Ų11691 Ų9175%0.75354%0.543SS*.  trans-65.2117.5146.330-29.4000107H572P570-H572 PolarHBondContact O-N 3.14Å
571I28Very low44.1Very low143 Ų14392.4 Ų92.473%0.73355%0.554SS**  trans-59.1111.9173.3-64.4174.6000107.4H569 L573H569-I571 PolarHBondContact O-N 3.26Å; I571-L573 PolarHBondContact O-N 3.33Å
572H30.2Very low42.2Very low170 Ų17095.7 Ų95.779%0.78757%0.568SS**  trans-60.9104.9162-103.6-87.4000106.8P570 A574P570-H572 PolarHBondContact O-N 3.14Å; H572-A574 HydrophobicContact CB-CB 4.44Å; H572-A574 PolarHBondContact O-N 3.49Å
573L26.9Very low40.2Very low154 Ų154103 Ų10381%0.80661%0.607SS**  trans-70.549.1161.6-83.8165.5000110.5I571 T575I571-L573 PolarHBondContact O-N 3.33Å; L573-T575 PolarHBondContact O-N 2.88Å
574A27.3Very low38.8Very low72 Ų72109.6 Ų109.660%0.59562%0.62SS**  trans-69.281.1151.100000106.4H572 T576H572-A574 HydrophobicContact CB-CB 4.44Å; H572-A574 PolarHBondContact O-N 3.49Å; A574-T576 PolarHBondContact O-N 2.99Å
575T31.1Very low38Very low101 Ų101112.1 Ų112.162%0.6263%0.629SS**  trans-45.4131.5174-44.60000108.8L573 L577L573-T575 PolarHBondContact O-N 2.88Å; T575-L577 HydrophobicContact CG2-CD1 4.34Å; T575-L577 HydrophobicContact CG2-CG 4.17Å; T575-L577 PolarHBondContact O-N 3.41Å
576T29.3Very low37.1Very low148 Ų148121.2 Ų121.291%0.90866%0.658SS**  trans-72.653.7-172.640.30000113.2A574A574-T576 PolarHBondContact O-N 2.99Å
577L35Very low35.8Very low97 Ų97131.2 Ų131.251%0.50869%0.693SS.*  trans-93.3111.4170.7-66.3174.1000107.8T575 I582T575-L577 HydrophobicContact CG2-CD1 4.34Å; T575-L577 HydrophobicContact CG2-CG 4.17Å; T575-L577 PolarHBondContact O-N 3.41Å; L577-I582 HydrophobicContact CB-CD1 4.34Å; L577-I582 HydrophobicContact CB-CG1 4.05Å
578S34.8Very low35.2Very low57 Ų57132.4 Ų132.440%0.39970%0.704SS.*  trans-53.6156.917677.50000111.6A580 S581S578-A580 PolarHBondContact O-N 3.01Å; S578-A580 PolarHBondContact OG-N 3.35Å; S578-S581 PolarHBondContact N-OG 3.2Å; S578-S581 WeakPolarHBondContact O-CB 3.49Å; S578-S581 PolarHBondContact O-N 2.72Å; S578-S581 PolarHBondContact OG-N 3.02Å; S578-S581 PolarHBondContact OG-OG 3.25Å
579P38.6Very low34.8Very low117 Ų117132 Ų13276%0.7670%0.704SS**THydrogen-bonded Turntrans-53.9-24.3172.4-2836.3000114.1
580A40.4Very low34.5Very low59 Ų59130.7 Ų130.749%0.48871%0.709SS.*THydrogen-bonded Turntrans-80.4-21.7174.400000114.2S578S578-A580 PolarHBondContact O-N 3.01Å; S578-A580 PolarHBondContact OG-N 3.35Å
581S40.9Very low34.7Very low50 Ų50131.1 Ų131.135%0.3571%0.71SS.*THydrogen-bonded Turntrans-76.6-38.7-179.2-54.60000112.1S578 L583 R584S578-S581 PolarHBondContact N-OG 3.2Å; S578-S581 WeakPolarHBondContact O-CB 3.49Å; S578-S581 PolarHBondContact O-N 2.72Å; S578-S581 PolarHBondContact OG-N 3.02Å; S578-S581 PolarHBondContact OG-OG 3.25Å; S581-L583 PolarHBondContact O-N 3.34Å; S581-R584 PolarHBondContact O-N 3.01Å
582I41.7Very low35Very low121 Ų121131.5 Ų131.562%0.62172%0.719SS**THydrogen-bonded Turntrans-70.1-21.3-176.6-64176.8000112.1L577L577-I582 HydrophobicContact CB-CD1 4.34Å; L577-I582 HydrophobicContact CB-CG1 4.05Å
583L38.6Very low35.2Very low154 Ų154126.4 Ų126.481%0.80671%0.712SS**THydrogen-bonded Turntrans-87.33.1179.9-82.3166.3000115.5S581S581-L583 PolarHBondContact O-N 3.34Å
584R38.5Very low35.4Very low211 Ų211125.3 Ų125.380%0.79671%0.712SS**SBendtrans-111.3-5.5-178.1-78.2-175.3168.4129.9-4.6116.5S581S581-R584 PolarHBondContact O-N 3.01Å
585L36.8Very low35.7Very low158 Ų158128.8 Ų128.883%0.82773%0.726SS**SBendtrans-97.818.2-177.5-89158.8000115.5
586R37.6Very low35.5Very low242 Ų242134.9 Ų134.991%0.91374%0.738SS**SBendtrans-133.660.3175.2-92.8-174.4164.5175.6-3.3112.3
587R32.2Very low35.9Very low244 Ų244133.8 Ų133.892%0.92173%0.733SS**  trans-159.149.6179.6-119.2175.5-159.8-152.35.2116.5
588S34.6Very low35.9Very low119 Ų119134.3 Ų134.383%0.83274%0.74SS**  trans-154.843.6177.163.60000116.8
589S35Very low35.9Very low108 Ų108139.4 Ų139.476%0.75576%0.763SS**  trans-171.8125.6156.243.90000108.3
590S35.2Very low35.6Very low103 Ų103141.5 Ų141.572%0.7277%0.766SS**  cis61.8117.335.882.80000113.3
591T35.5Very low35.3Very low126 Ų126142.4 Ų142.477%0.77377%0.774SS**  cis-167.41646.2-0.80000109.9
592V35.2Very low35.1Very low151 Ų151148.5 Ų148.592%0.91580%0.797SS**  trans68.4141.8173.3-1630000114.8
593G33.8Very low34.8Very low63 Ų63153.1 Ų153.165%0.64981%0.807SS**  cis-171.4148.7-7.900000113.8
594T32Very low34.4Very low130 Ų130155.8 Ų155.880%0.79881%0.806SS**  trans-46.3135.8174.448.70000116.4
595T33Very low34.3Very low145 Ų145153.3 Ų153.389%0.8981%0.808SS**  174166.5110.533.90000111.9
596R27.8Very low34.1Very low230 Ų230150 Ų15087%0.86880%0.798SS**  trans-131.3130.9-177.4-179.8-164.8-166.4-165.57.9109.4
597P37.9Very low34Very low124 Ų124142.8 Ų142.881%0.80578%0.784SS**  trans-124.3130.1158.333.8-21.4000112.7
598T33.2Very low34.3Very low108 Ų108139.7 Ų139.766%0.66378%0.78SS**  trans-80.6143.7150.345.70000109.1
599L35.1Very low34.5Very low165 Ų165138.1 Ų138.186%0.86477%0.774SS**  -178173120.6-100.5170.1000113.5
600L32.4Very low34.7Very low160 Ų160138.7 Ų138.784%0.83878%0.778SS**  trans-73.7163.3173.4-95.767.5000112.9
601A34.7Very low34.9Very low79 Ų79138.2 Ų138.265%0.65378%0.78SS**  trans120.4146.7133.700000117.5
602Q37.6Very low35.3Very low178 Ų178137.9 Ų137.983%0.83278%0.78SS**  trans57.2112.7165.1-70.7150.9-94.200117.5
603R33.5Very low35.8Very low217 Ų217136.4 Ų136.482%0.81977%0.774SS**  72.7120.169.3-90.4-170.7166.3175-2.5114.9
604R31.6Very low36Very low211 Ų211139.3 Ų139.380%0.79678%0.779SS**  trans82.6137.8145.6-73.7-178.4168.4-172.9-5.1118.9
605L35.2Very low36.9Very low159 Ų159139 Ų13983%0.83278%0.779SS**  trans69.2146.6158.5-61156.6000116.6
606S32.5Very low37.1Very low88 Ų88142.8 Ų142.862%0.61578%0.777SS**  cis-179.4153.2-38.743.10000109.4
607S35.6Very low37.6Very low90 Ų90137.9 Ų137.963%0.62978%0.775SS**  trans67.5142.6154.271.10000121.3
608H40.1Very low37.7Very low180 Ų180137.8 Ų137.883%0.83377%0.772SS**  trans60.8139.5166.1-50.4-64.8000117.9
609A38.3Very low37.8Very low85 Ų85137.5 Ų137.570%0.70277%0.774SS**  cis-160.6-178.7-17.400000106.8
610S37.9Very low37.9Very low120 Ų120135.5 Ų135.584%0.83977%0.769SS**  cis-150.3-179.613-63.50000110.4
611A39.5Very low38Very low93 Ų93135.3 Ų135.377%0.76977%0.769SS**  trans-113.8169.2158.500000109.5
612P45.7Very low38.1Very low120 Ų120134.1 Ų134.178%0.77977%0.765SS**  -155-161.681.543.2-23.3000113.6
613P45.7Very low38Very low120 Ų120131.5 Ų131.578%0.77977%0.766SS**  cis-125.1176.1-37.622.6-1.2000113.8
614T37.4Very low38Very low123 Ų123129.2 Ų129.276%0.75576%0.764SS**  trans-126.1151.7161.251.60000112
615P50.6Low38.3Very low124 Ų124124.6 Ų124.681%0.80576%0.762SS**  trans-97.4115.2158.833.5-25.5000109.7
616R37.7Very low38Very low224 Ų224122.2 Ų122.285%0.84575%0.754SS**  68.5107.571.9-70.2-169.6-170.9-106.74.4115.4
617P37.2Very low37.7Very low128 Ų128128.2 Ų128.283%0.83176%0.764SS**  trans-97.1147.2160.536.6-31.1000112.6
618V39.7Very low37.4Very low122 Ų122134.4 Ų134.474%0.73977%0.774SS**  trans-154.7106.1178.7-170.60000105.9
619S35.8Very low36.7Very low101 Ų101130.9 Ų130.971%0.70677%0.769SS**  37.1138.3101.470.10000115.9
620T36.7Very low36.4Very low124 Ų124134.2 Ų134.276%0.76177%0.774SS**  cis-125.9-167.35.754.60000109.1
621D35.6Very low35.9Very low155 Ų155135.5 Ų135.583%0.82977%0.77SS**  cis-162.517715-143-46.5000110.5
622G35.8Very low35.6Very low55 Ų55139.1 Ų139.157%0.56777%0.771SS**  trans111.796.5156.500000119.7
623S36.1Very low35.1Very low122 Ų122137.3 Ų137.385%0.85377%0.767SS**  trans56.7101.8147.652.70000122.3
624H33.6Very low34.5Very low169 Ų169140.5 Ų140.578%0.78277%0.771SS**  trans-36179.1140.6-81.4-91.5000117.5
625P37.3Very low34.3Very low114 Ų114138.2 Ų138.274%0.7477%0.771SS**  cis-122.8173.6-8.817.67.8000112.6
626V29.5Very low33.5Very low110 Ų110136.7 Ų136.767%0.66777%0.77SS**  cis85.810629.8-174.80000115.9
627Y26.8Very low33.1Very low213 Ų213134.5 Ų134.584%0.83577%0.766SS**  trans80.4149.2157-95.4-121.5000123.3
628R29.4Very low32.9Very low220 Ų220138.6 Ų138.683%0.8377%0.765SS**  trans70.8129.7166.5-69.6172.6177.9163.2-1.8116.5
629S25.5Very low32.6Very low106 Ų106140.5 Ų140.574%0.74177%0.77SS**  cis87.8142.247.9-58.30000113.9
630I30.9Very low32.7Very low155 Ų155141 Ų14180%0.79577%0.772SS**  trans93.2103.1167.5-52.1169000118
631L28.6Very low32.5Very low147 Ų147139.4 Ų139.477%0.7777%0.765SS**  24.8133.6129.4-63.4166.9000123.1
632H32.8Very low32.5Very low169 Ų169139.9 Ų139.978%0.78277%0.768SS**  trans63.3153.2155.8-73.7-112.8000117.1
633A33.7Very low32.5Very low83 Ų83144.7 Ų144.769%0.68678%0.78SS**  cis-161.115926.500000115.2
634H34.4Very low32.6Very low186 Ų186144.4 Ų144.486%0.86178%0.775SS**  trans25.3142.6148.4-67.9-87.8000125.6
635G33.8Very low32.5Very low75 Ų75140.2 Ų140.277%0.77377%0.765SS**  trans128.591.4155.400000114.3
636A32.2Very low32.5Very low93 Ų93141.1 Ų141.177%0.76977%0.768SS**  cis78.9105.844.800000115.8
637F30.6Very low32.8Very low177 Ų177140.7 Ų140.778%0.77677%0.77SS**  trans-174.1131.1131.3-116.6-136.1000116.1
638R31.3Very low33.1Very low214 Ų214135.6 Ų135.681%0.80877%0.766SS**  trans58135.2146.5-64.1-173.5-175.8-157.70124.6
639L34.5Very low33.5Very low162 Ų162129.6 Ų129.685%0.84876%0.757SS**  trans-83.8164.2158.1-76.2152.9000111.7
640P38.2Very low33.9Very low113 Ų113135.5 Ų135.573%0.73476%0.763SS**  -134138.7100.634-22.1000111.9
641S32.6Very low34Very low89 Ų89134 Ų13462%0.62276%0.761SS**  65.6108.259.678.40000115.9
642N35Very low34.3Very low166 Ų166137.7 Ų137.789%0.88877%0.765SS**  trans-174.4151.2133.3-92-21.3000113.8
643L35.3Very low34.2Very low155 Ų155136.4 Ų136.481%0.81276%0.76SS**  trans-104.1163.2171.7-99.390.4000109.6
644P38.3Very low34.2Very low116 Ų116140.5 Ų140.575%0.75377%0.769SS**  -133.6168.967.220.93.3000113.7
645S32.3Very low34.3Very low82 Ų82136.6 Ų136.657%0.57376%0.762SS**  cis92.9149.716.595.80000118
646T36.7Very low34.7Very low132 Ų132138.5 Ų138.581%0.8176%0.761SS**  trans78.5144.9-177.575.10000116.6
647S35.9Very low34.9Very low102 Ų102139.9 Ų139.971%0.71377%0.765SS**  cis-173.6145.7-21.251.80000113.6
648S32.6Very low35.1Very low106 Ų106138.6 Ų138.674%0.74177%0.767SS**  trans57.6146.9140-151.40000119.8
649S37.7Very low35.5Very low93 Ų93133.2 Ų133.265%0.6576%0.759SS**  cis-167.214937.8-49.90000115.3
650R35.1Very low35.3Very low230 Ų230133 Ų13387%0.86876%0.757SS**  trans61.6115.1135.7-72.3175.2-178.4178.90.2120.3
651V31.6Very low35Very low124 Ų124132.2 Ų132.275%0.75275%0.754SS**  80.5124.783.1163.40000112
652R34.9Very low34.8Very low225 Ų225137 Ų13785%0.84977%0.767SS**  -158.5173.767.3-149.9161.4-149.1159.76115.5
653E30.9Very low34.5Very low142 Ų142137.2 Ų137.266%0.66476%0.762SS**  trans-63.6165-177.2-55113.9115.800114.6
654L34.9Very low34.4Very low169 Ų169135.4 Ų135.489%0.88576%0.76SS**  -153.6171.461.7-80.2165.9000116
655S35.6Very low33.9Very low103 Ų103138.8 Ų138.872%0.7276%0.763SS**  trans-106.8-165.2-157.3-44.90000113.8
656P41.7Very low34Very low115 Ų115142.7 Ų142.775%0.74778%0.776SS**  -138.3162.1-62.936.2-19.2000115.8
657S36.7Very low33.5Very low122 Ų122144.8 Ų144.885%0.85378%0.777SS**  trans-166.297.9150.940.30000116.8
658N36.2Very low33.2Very low151 Ų151150.7 Ų150.781%0.80779%0.785SS**  trans-15.9166.7149.3-71.3-7.2000121.1
659P38.1Very low33Very low101 Ų101152.5 Ų152.566%0.65678%0.782SS**  cis-151174.2-34.944.4-26.8000116.9
660I31.7Very low32.5Very low157 Ų157155.4 Ų155.481%0.80579%0.786SS**  trans43.7137.2133.4-67169000120.2
661S32Very low32.3Very low96 Ų96152 Ų15267%0.67178%0.783SS**  cis-164.6154.1-12.1-87.40000106.3
662Q28.1Very low32.1Very low189 Ų189154.2 Ų154.288%0.88379%0.786SS**  cis75.2117.741.4-80-164.9-17.300117.3
663E28.7Very low31.9Very low171 Ų171153 Ų15380%0.79979%0.787SS**  trans-72.9162.9168.9-51.8175.3120.100112.1
664P33.9Very low31.7Very low117 Ų117151.6 Ų151.676%0.7679%0.791SS**  trans-110.1109.9152.834-22.2000111.7
665K27.9Very low31.5Very low188 Ų188151 Ų15182%0.81779%0.789SS**  trans-69.2141.5149.9-70.1-178.7179.3179.90108.2
666L34Very low31.3Very low163 Ų163149.3 Ų149.385%0.85378%0.782SS**  trans-142.991.5165.6-114.3164.7000111
667E25.6Very low30.8Very low177 Ų177151.2 Ų151.283%0.82779%0.785SS**  trans-84.4132.5161.1167.4-177.7-125.600107.7
668Y29.8Very low30.6Very low225 Ų225151.6 Ų151.688%0.88278%0.783SS**  trans-157.1136.2153.4-132.4-89.8000111.5
669E28.4Very low30.4Very low145 Ų145151.3 Ų151.368%0.67879%0.786SS**  trans-109.9174.5179.6-158.8-163.2-149.700109.8
670Q27.9Very low29.9Very low154 Ų154149.4 Ų149.472%0.7279%0.785SS**  trans85.8140.2154.4-64.5178.529.800121.5
671L29.1Very low30Very low157 Ų157149.6 Ų149.682%0.82278%0.784SS**  trans86.9100.5152.2-71.5158.8000120.6
672Q27.8Very low29.9Very low171 Ų171153.6 Ų153.680%0.79979%0.79SS**  trans-57.5147.2158.2-53.9157.9-38.700112.6
673K30.6Very low30.1Very low200 Ų200148.7 Ų148.787%0.8778%0.776SS**  -177.2148.1114.3-97.6156.7-174.6173.70113.2
674C26.4Very low30.3Very low113 Ų113149 Ų14976%0.76478%0.775SS**  trans-75.8169.5174.4-46.80000110.4
675N31.6Very low30Very low155 Ų155150.6 Ų150.683%0.82977%0.772SS**  -173.4152.556.4-133.5-6.1000116.2
676A32.4Very low30.1Very low69 Ų69147.9 Ų147.957%0.5777%0.772SS**  trans51.3117.514000000124.8
677N30.8Very low29.9Very low155 Ų155147.7 Ų147.783%0.82977%0.767SS**  56.4137.3121.6-55.4-12.2000123.6
678T32.6Very low30.2Very low130 Ų130146.2 Ų146.280%0.79877%0.769SS**  -175.1117.2112.1-73.40000115
679V30.7Very low30.2Very low145 Ų145140.8 Ų140.888%0.87976%0.759SS**  trans16.2140.2141.7-170.10000122.7
680G29Very low30.8Very low61 Ų61138.8 Ų138.863%0.62976%0.759SS**  trans173.4119.1147.700000120.1
681M32.2Very low31Very low160 Ų160138.2 Ų138.279%0.78877%0.766SS**  trans64.3132.8159.7-57.2-68.299.100118.4
682K30.2Very low31.2Very low181 Ų181134.4 Ų134.479%0.78777%0.765SS**  76.8139.354.9-75.4-170177.8-175.40113.6
683S31.8Very low31.3Very low86 Ų86132.1 Ų132.160%0.60177%0.766SS**  cis-173.417510.836.10000113.7
684F32.7Very low31.2Very low177 Ų177127.5 Ų127.578%0.77676%0.759SS**  trans67.8156.9165.9-66-76.1000117.2
685E28.1Very low31.5Very low150 Ų150132.4 Ų132.470%0.70177%0.768SS**  cis164.6134.8-19.9174.8166.3-112.400104.8
686T30.5Very low31.3Very low132 Ų132130 Ų13081%0.8176%0.763SS**  -176.6158.597.8-54.80000110.3
687Q29.2Very low31.2Very low159 Ų159134.8 Ų134.874%0.74378%0.778SS**  trans-94.5157.3-175.6-50169.19.400114.2
688V31.7Very low31Very low146 Ų146131.9 Ų131.989%0.88577%0.77SS**  trans-144.3147.2140.2-174.60000109.3
689V30.2Very low30.8Very low110 Ų110136.2 Ų136.267%0.66777%0.773SS**  trans-155-172.3-176.2-123.50000107.8
690P40.3Very low30.4Very low103 Ų103134.6 Ų134.667%0.66977%0.767SS**  cis-135.6-163-25.528-3.4000114
691T32.6Very low30.5Very low142 Ų142143.3 Ų143.387%0.87178%0.781SS**  trans103.1140.4149.874.40000120.9
692G34Very low30.3Very low77 Ų77145 Ų14579%0.79478%0.784SS**  trans160.796.617500000113.6
693C29.6Very low30.4Very low123 Ų123141.8 Ų141.883%0.83178%0.781SS**  trans-50.9134.1-176.2-83.40000114.8
694S29.5Very low30.3Very low104 Ų104142.9 Ų142.973%0.72779%0.789SS**  74.5107.863.9-60.40000115.7
695K32.1Very low30Very low215 Ų215142.1 Ų142.194%0.93579%0.792SS**  -171.2157.1120.5-103.2164.5-173.9177.10112.7
696S27Very low30.2Very low105 Ų105140.8 Ų140.873%0.73480%0.797SS**  trans-106.4160-175.752.50000112.1
697L30.4Very low30Very low169 Ų169140.1 Ų140.189%0.88579%0.792SS**  -167.5151.3118.3-103.9163.2000111.3
698S26.4Very low29.9Very low94 Ų94139.1 Ų139.166%0.65779%0.792SS**  trans-99.5156.8175.7510000110.6
699Y27.9Very low29.9Very low222 Ų222139.4 Ų139.487%0.87179%0.788SS**  trans-166.6151.4130.6-122.8-87.3000111.2
700C23.4Very low29.7Very low111 Ų111141.5 Ų141.575%0.7579%0.794SS**  trans-97.6141.5175.8-67.40000111.5
701R29.7Very low29.1Very low244 Ų244148.4 Ų148.492%0.92181%0.807SS**  trans-176.9133.9140.2-102.2155.5-169-164.33113.6
702K28.1Very low28.7Very low196 Ų196146.3 Ų146.385%0.85280%0.798SS**  trans-79.5168146.5-77.3-177.4176.4179.30107.8
703P33.7Very low28.8Very low112 Ų112151.8 Ų151.873%0.72780%0.803SS**  cis-146.8-151.725.745-23.6000115.5
704S28.7Very low28.7Very low110 Ų110150.4 Ų150.477%0.76980%0.795SS**  trans78.4144.4157.644.90000120.5
705L26.3Very low28.7Very low161 Ų161151 Ų15184%0.84379%0.79SS**  trans-86.5155.8175.6-58.1103.1000111.8
706P32.7Very low28.7Very low122 Ų122148.7 Ų148.779%0.79278%0.782SS**  trans-92.9145.2150.935-28.6000111.8
707V25.7Very low28.9Very low117 Ų117148.2 Ų148.271%0.70978%0.779SS**  trans-115166.7163176.10000107.1
708N28.9Very low29Very low139 Ų139147 Ų14774%0.74377%0.773SS**  trans80.6157.5-178.9-42.1-66.9000113.9
709L30.3Very low29Very low151 Ų151149.2 Ų149.279%0.79178%0.777SS**  cis-127.1147.85.9-93.891.4000114
710L25.8Very low29.2Very low154 Ų154144.3 Ų144.381%0.80677%0.77SS**  trans0.3129.9136.8-64.8151.3000118.8
711R27.5Very low29.5Very low248 Ų248142.1 Ų142.194%0.93676%0.756SS**  -155.5136.2116.1-118.1178-172-173.61.6112.8
712S25.6Very low29.5Very low99 Ų99140.6 Ų140.669%0.69275%0.752SS**  trans-92.9146.8173.451.50000111.2
713H34.8Very low29.4Very low192 Ų192137 Ų13789%0.88974%0.741SS**  trans-146.8148.8140-103.5-76.8000109.7
714S27.7Very low29.3Very low94 Ų94139.3 Ų139.366%0.65774%0.739SS**  trans-96.6157.3-176.953.10000111.7
715N31.1Very low29.3Very low117 Ų117143.3 Ų143.363%0.62674%0.738SS**  -175.3139.8106.4-96.223.8000111.9
716E31.3Very low29.4Very low166 Ų166142.2 Ų142.278%0.77673%0.732SS**  trans58.5142.7135.4-63.4171138.400121.5
717S30.3Very low29.2Very low94 Ų94146.3 Ų146.366%0.65774%0.738SS**  cis-163.5165.3-15.458.50000111.8
718L32.5Very low29.4Very low145 Ų145150.9 Ų150.976%0.75975%0.749SS**  trans72.7118.2166-57.3171.8000116
719N27.8Very low29.4Very low139 Ų139153.3 Ų153.374%0.74376%0.755SS**  71.2131.271.3-75.6-17000112.7
720T31.6Very low29.3Very low120 Ų120149.8 Ų149.874%0.73676%0.755SS**  cis-155.9176.613.7-11.40000113.3
721S28.6Very low29.4Very low65 Ų65148.1 Ų148.146%0.45576%0.755SS.*  trans-23.7154159.451.90000117.5
722Y29.7Very low29.3Very low212 Ų212144.3 Ų144.383%0.83175%0.753SS**  cis-143.8150.939.5-76.8-103.6000111.4
723I27.6Very low29.5Very low121 Ų121147.5 Ų147.562%0.62176%0.76SS**  cis81.9110.130.6-60.7-175.5000115.4
724K30Very low29.2Very low160 Ų160142.9 Ų142.970%0.69675%0.75SS**  trans87.5107.6157.7-72.7163-170.7164.90121.6
725R28.8Very low29Very low194 Ų194143.1 Ų143.173%0.73275%0.751SS**  93.9116.6116.7-71.7-179179.7150.2-1.9121.9
726D28.9Very low28.9Very low137 Ų137143.7 Ų143.773%0.73376%0.761SS**  60.4109.4121.7-44.3-21.4000120.3
727K29.8Very low28.6Very low208 Ų208146.4 Ų146.490%0.90476%0.764SS**  -151.2126.8123.8-111.8163.9-172.2175.50111.5
728F28.1Very low28.4Very low214 Ų214147 Ų14794%0.93977%0.767SS**  trans-93.3116.1179.5-129-90.2000109.5
729Q30Very low28.1Very low189 Ų189149.5 Ų149.588%0.88377%0.772SS**  trans-159.6133.9166.5-108.5168.9-2700107.6
730G27.8Very low27.9Very low77 Ų77150.2 Ų150.279%0.79478%0.777SS**  cis14563-2.700000112.5
731C27.5Very low27.8Very low119 Ų119150.8 Ų150.880%0.80478%0.78SS**  trans-122.7107.5173.8-162.30000110.2
732L25.8Very low27.7Very low168 Ų168152.6 Ų152.688%0.8879%0.792SS**  trans-92.3117.8169.1-73.9161.9000107.8S734L732-S734 PolarHBondContact O-N 3.19Å
733I30.3Very low27.4Very low167 Ų167149.8 Ų149.886%0.85679%0.792SS**  trans-89.796.4159.2-63.3-176.8000107.1
734S27.6Very low27.5Very low95 Ų95151.5 Ų151.566%0.66480%0.801SS**PPolyproline II helixtrans-70141.9176.750.40000112L732L732-S734 PolarHBondContact O-N 3.19Å
735S24.8Very low27.2Very low98 Ų98149 Ų14969%0.68581%0.805SS**PPolyproline II helixtrans-62.2144.2173-33.20000112.4R737S735-R737 PolarHBondContact O-N 2.97Å
736P29.2Very low27Very low129 Ų129151.4 Ų151.484%0.83881%0.813SS**PPolyproline II helixtrans-70.6117.6140.330.7-28000108.1
737R24.8Very low26.8Very low223 Ų223150.7 Ų150.784%0.84282%0.819SS**PPolyproline II helixtrans-82.7168.9167.1-73.1-178.5173.8175.7-2.3110.1S735S735-R737 PolarHBondContact O-N 2.97Å
738C24.3Very low26.7Very low107 Ų107144.2 Ų144.272%0.72380%0.804SS**  trans78.2144.6167.9-49.30000114.5
739F26.3Very low26.9Very low197 Ų197139.1 Ų139.186%0.86479%0.793SS**  cis-119.7142.913.6-94.4-94.7000115
740N24.6Very low27.2Very low155 Ų155133 Ų13383%0.82977%0.771SS**  trans-68.4127.4151.6-91.3-19.7000109.1
741T29Very low27.9Very low131 Ų131133.9 Ų133.980%0.80475%0.754SS**  trans-153.5117.8132.740.10000109.9N743T741-N743 PolarHBondContact O-N 3.29Å
742S26.1Very low28.9Very low103 Ų103132.2 Ų132.272%0.7273%0.731SS**  trans-56.7124.3155.749.40000110.4
743N24.6Very low30.3Very low153 Ų153125.8 Ų125.882%0.81870%0.698SS**  trans170.7162.1142.4-90.2-31.7000112.2T741T741-N743 PolarHBondContact O-N 3.29Å
744L28.4Very low31.6Very low157 Ų157118 Ų11882%0.82266%0.658SS**  trans65.879.6174-84.470.2000116.7R746L744-R746 PolarHBondContact O-N 3.18Å
745S24Very low33.5Very low109 Ų109113.9 Ų113.976%0.76263%0.628SS**  trans-19.1118.813053.80000115.6
746R25.6Very low35.4Very low243 Ų243109.2 Ų109.292%0.91760%0.596SS**  trans-169.9127140.2-107.4166.3-169.6-133.3-1.2109.8L744 A748L744-R746 PolarHBondContact O-N 3.18Å; R746-A748 PolarHBondContact O-N 3.08Å
747S25.1Very low36.9Very low122 Ų122103.2 Ų103.285%0.85356%0.557SS**PPolyproline II helixtrans-63.5116.6171.936.10000110
748A27.6Very low38.3Very low72 Ų7294 Ų9460%0.59552%0.523SS*.PPolyproline II helixtrans-83.7136.2165.600000108.6R746R746-A748 PolarHBondContact O-N 3.08Å
749P31.2Very low39Very low107 Ų10791 Ų9170%0.69550%0.497SS*.PPolyproline II helixtrans-61149.5179.425.6-34000111.2
750S36.7Very low39.1Very low61 Ų6183.6 Ų83.643%0.42748%0.477SS..PPolyproline II helixtrans-62.6145.7-179.255.10000111.7R752S750-R752 VanDerWaalsContact C-N 3.29Å; S750-R752 PolarHBondContact O-N 2.95Å
751Q41.6Very low39.2Very low95 Ų9582.8 Ų82.844%0.44447%0.473SS..  trans-82.474.3-171.3-168.6168-29.300110.2
752R48.7Very low39.1Very low85 Ų8585.5 Ų85.532%0.32148%0.477SS..  trans-64.1137.1172.8-56-168.4-168.9-159.80.6109.8D56 F58 S750D56-R752 VanDerWaalsContact OD2-CD 3.24Å; D56-R752 WeakPolarHBondContact OD2-CD 3.25Å; D56-R752 IonicContact OD2-CZ 3.99Å; D56-R752 IonicContact OD2-NE 2.89Å; D56-R752 IonicContact OD2-NH1 3.53Å; D56-R752 PolarHBondContact OD2-NH1 3.33Å; F58-R752 VanDerWaalsContact CZ-NH1 3.34Å; S750-R752 VanDerWaalsContact C-N 3.29Å; S750-R752 PolarHBondContact O-N 2.95Å
753D55.2Low39.1Very low32 Ų3283.6 Ų83.617%0.17147%0.473CS..  trans-71150.8160.2-60.9-28.1000108.2M1 V2 Y3M1-D753 VanDerWaalsContact C-OD2 3.23Å; M1-D753 WeakPolarHBondContact CA-OD2 3.2Å; M1-D753 PolarHBondContact N-OD1 3.43Å; M1-D753 PolarHBondContact N-OD2 3.23Å; V2-D753 PolarHBondContact N-OD2 2.95Å; Y3-D753 PolarHBondContact N-OD2 3.35Å
754I58Low39.2Very low4 Ų480.6 Ų80.62%0.02145%0.453CS..  trans-139.7132.4174.9-55.8-177.7000106.9V14 G15 V54 F70 L71 L74V14-I754 HydrophobicContact CG2-CB 4.45Å; V14-I754 HydrophobicContact CG2-CG2 4.3Å; V14-I754 WeakPolarHBondContact CG2-O 3.2Å; V14-I754 PolarHBondContact N-O 3.01Å; G15-I754 PolarHBondContact N-O 3.5Å; G15-I754 VanDerWaalsContact N-O 3.17Å; V54-I754 HydrophobicContact CG1-CG2 3.77Å; F70-I754 HydrophobicContact CD1-CD1 3.38Å; F70-I754 HydrophobicContact CD1-CG1 4.29Å; F70-I754 HydrophobicContact CE1-CD1 3.7Å; F70-I754 HydrophobicContact CE1-CG1 4.39Å; F70-I754 HydrophobicContact CG-CD1 4.39Å; L71-I754 HydrophobicContact CB-CD1 3.51Å; L71-I754 HydrophobicContact CD1-CD1 3.99Å; L71-I754 HydrophobicContact CD1-CG2 3.89Å; L71-I754 HydrophobicContact CG-CD1 4.18Å; L74-I754 HydrophobicContact CD2-CG2 3.7Å
755D67.3Low39.1Very low8 Ų878.4 Ų78.44%0.04345%0.451CS..EExtended strand (participates in β ladder)trans-126.2152-170-60.8-25.3000111.1Y3 A11 I12 N13 Y55Y3-D755 VanDerWaalsContact CD2-OD1 3.25Å; Y3-D755 WeakPolarHBondContact CD2-OD1 3.42Å; Y3-D755 WeakPolarHBondContact CD2-OD2 3.39Å; A11-D755 HydrophobicContact CB-CB 4.27Å; I12-D755 CarbonylContact O-C 3.54Å; I12-D755 WeakPolarHBondContact O-CA 3.42Å; N13-D755 VanDerWaalsContact CA-OD1 3.27Å; N13-D755 WeakPolarHBondContact CA-OD1 3.47Å; N13-D755 WeakPolarHBondContact CB-OD1 3.16Å; Y55-D755 HydrophobicContact CD1-CB 4Å; Y55-D755 HydrophobicContact CD2-CB 4.17Å; Y55-D755 HydrophobicContact CE1-CB 3.46Å; Y55-D755 VanDerWaalsContact CE1-CB 3.46Å; Y55-D755 HydrophobicContact CE2-CB 3.63Å; Y55-D755 WeakPolarHBondContact CE2-OD2 3.42Å; Y55-D755 HydrophobicContact CG-CB 4.33Å; Y55-D755 PolarHBondContact N-O 3.35Å; Y55-D755 PolarHBondContact O-N 2.84Å; Y55-D755 WeakPolarHBondContact OH-CB 3.4Å; Y55-D755 PolarHBondContact OH-OD2 2.75Å
756L65.2Low39.2Very low0 Ų078.9 Ų78.90%045%0.445CS..EExtended strand (participates in β ladder)trans-118.6129.3177.9-58.5179000110.9A11 I12 V14 L35 I52 V53 V54 L78 F758A11-L756 CarbonylContact C-O 3.55Å; A11-L756 VanDerWaalsContact CA-O 3.26Å; A11-L756 WeakPolarHBondContact CA-O 3.3Å; I12-L756 PolarHBondContact N-O 2.72Å; I12-L756 PolarHBondContact O-N 2.86Å; V14-L756 HydrophobicContact CG1-CD1 3.67Å; V14-L756 HydrophobicContact CG1-CG 4.09Å; V14-L756 HydrophobicContact CG2-CD1 4.1Å; V14-L756 HydrophobicContact CG2-CD2 4.35Å; V14-L756 HydrophobicContact CG2-CG 3.86Å; L35-L756 HydrophobicContact CD1-CD1 4.38Å; L35-L756 HydrophobicContact CD2-CD1 3.37Å; I52-L756 HydrophobicContact CG2-CD2 4.02Å; V53-L756 CarbonylContact O-C 3.5Å; V53-L756 WeakPolarHBondContact O-CA 3.37Å; V54-L756 HydrophobicContact CB-CD2 4.08Å; V54-L756 HydrophobicContact CG1-CD2 3.92Å; V54-L756 HydrophobicContact CG2-CD2 3.63Å; L78-L756 HydrophobicContact CD1-CD2 4.16Å; L756-F758 HydrophobicContact CB-CD2 4.45Å; L756-F758 HydrophobicContact CB-CE2 3.74Å; L756-F758 HydrophobicContact CB-CZ 4.28Å; L756-F758 HydrophobicContact CD1-CE2 4.25Å; L756-F758 HydrophobicContact CD1-CZ 4.12Å
757V60.3Low39.2Very low4 Ų474.8 Ų74.82%0.02444%0.441CS..EExtended strand (participates in β ladder)trans-106.6132.7167.4-169.10000109.2I8 A11 V53 Y55 F759I8-V757 HydrophobicContact CB-CG2 4.28Å; I8-V757 HydrophobicContact CD1-CG2 4.29Å; I8-V757 HydrophobicContact CG2-CG2 4.22Å; A11-V757 HydrophobicContact CB-CG2 4.04Å; V53-V757 HydrophobicContact CB-CB 4.29Å; V53-V757 PolarHBondContact N-O 2.89Å; V53-V757 PolarHBondContact O-N 2.96Å; Y55-V757 HydrophobicContact CD1-CG2 3.96Å; Y55-V757 HydrophobicContact CE1-CG2 3.62Å; V757-F759 HydrophobicContact CB-CE2 4.03Å; V757-F759 HydrophobicContact CG1-CD2 4.03Å; V757-F759 HydrophobicContact CG1-CE1 4.43Å; V757-F759 HydrophobicContact CG1-CE2 3.58Å; V757-F759 HydrophobicContact CG1-CZ 3.81Å
758F53.5Low39.1Very low29 Ų2974.2 Ų74.213%0.12744%0.437CS..EExtended strand (participates in β ladder)trans-110.5106.6176.1-66.3-93.4000109.1I12 L35 T39 L47 I52 L756 G760I12-F758 HydrophobicContact CD1-CD2 4.33Å; I12-F758 HydrophobicContact CD1-CE2 4.14Å; L35-F758 HydrophobicContact CD1-CZ 4.21Å; L35-F758 HydrophobicContact CD2-CZ 4.18Å; T39-F758 HydrophobicContact CG2-CD1 4.38Å; T39-F758 HydrophobicContact CG2-CD2 3.76Å; T39-F758 HydrophobicContact CG2-CE1 4.21Å; T39-F758 HydrophobicContact CG2-CE2 3.57Å; T39-F758 HydrophobicContact CG2-CG 4.18Å; T39-F758 HydrophobicContact CG2-CZ 3.81Å; L47-F758 HydrophobicContact CD1-CD1 4.05Å; L47-F758 HydrophobicContact CD1-CE1 3.78Å; I52-F758 HydrophobicContact CD1-CE1 3.85Å; I52-F758 HydrophobicContact CD1-CZ 4.45Å; I52-F758 HydrophobicContact CG1-CD1 4.19Å; I52-F758 HydrophobicContact CG1-CE1 3.74Å; L756-F758 HydrophobicContact CB-CD2 4.45Å; L756-F758 HydrophobicContact CB-CE2 3.74Å; L756-F758 HydrophobicContact CB-CZ 4.28Å; L756-F758 HydrophobicContact CD1-CE2 4.25Å; L756-F758 HydrophobicContact CD1-CZ 4.12Å; F758-G760 PolarHBondContact O-N 3.01Å; F758-G760 VanDerWaalsContact O-N 3.14Å
759F39.5Very low38.9Very low43 Ų4375.5 Ų75.519%0.18944%0.441CS..  trans-82.891.1176.8-72-85000110P51 V53 F544 L554 V757P51-F759 HydrophobicContact CG-CB 4.26Å; V53-F759 HydrophobicContact CB-CD2 4.5Å; V53-F759 HydrophobicContact CB-CE2 4.24Å; V53-F759 HydrophobicContact CG2-CD2 3.81Å; V53-F759 HydrophobicContact CG2-CE2 3.79Å; F544-F759 HydrophobicContact CE1-CB 4.46Å; L554-F759 HydrophobicContact CD1-CD1 4.28Å; L554-F759 HydrophobicContact CD1-CE1 4.14Å; L554-F759 HydrophobicContact CD2-CE1 4.37Å; V757-F759 HydrophobicContact CB-CE2 4.03Å; V757-F759 HydrophobicContact CG1-CD2 4.03Å; V757-F759 HydrophobicContact CG1-CE1 4.43Å; V757-F759 HydrophobicContact CG1-CE2 3.58Å; V757-F759 HydrophobicContact CG1-CZ 3.81Å
760G29.2Very low38.6Very low43 Ų4378.3 Ų78.344%0.44345%0.445SS..  trans-87.5153.9172.300000113.1F758 Q762F758-G760 PolarHBondContact O-N 3.01Å; F758-G760 VanDerWaalsContact O-N 3.14Å; G760-Q762 PolarHBondContact O-N 3.07Å
761D26.8Very low38Very low138 Ų13882.3 Ų82.374%0.73846%0.461SS*.SBendtrans-76.120.3-172.9-146.721.3000114.2
762Q26.9Very low37.2Very low188 Ų18887 Ų8788%0.87948%0.48SS*.SBendtrans-147.375.1-169.7-68.3-69.9-1100109.6G760G760-Q762 PolarHBondContact O-N 3.07Å
763G26.4Very low36Very low62 Ų6287.6 Ų87.664%0.63950%0.498SS*.  trans-157.3-6.4-169.300000120.4
764F27Very low34.5Very low90 Ų9091.1 Ų91.140%0.39552%0.52SS..  trans-140.946.3-177.3-77.8-82.5000113.8L102 L548 N766L102-F764 HydrophobicContact CD2-CE1 4Å; L102-F764 HydrophobicContact CD2-CZ 4.03Å; L548-F764 HydrophobicContact CD2-CB 3.63Å; L548-F764 HydrophobicContact CD2-CD2 3.47Å; L548-F764 VanDerWaalsContact CD2-CD2 3.47Å; L548-F764 HydrophobicContact CD2-CE2 4.38Å; L548-F764 HydrophobicContact CD2-CG 3.78Å; F764-N766 PolarHBondContact O-N 2.87Å
765S25.2Very low33Very low112 Ų11298.4 Ų98.478%0.78355%0.547SS*.  trans-73115.3165.7580000110.1N767S765-N767 PolarHBondContact O-N 2.77Å
766N25.4Very low31.1Very low119 Ų119109.9 Ų109.964%0.63659%0.59SS**  trans-61.495.1176.2-72.7-5.9000111.4S549 F764S549-N766 WeakPolarHBondContact CB-ND2 3.43Å; S549-N766 WeakPolarHBondContact CB-OD1 3.14Å; S549-N766 PolarHBondContact OG-OD1 3.21Å; F764-N766 PolarHBondContact O-N 2.87Å
767N26Very low29.3Very low156 Ų156115.4 Ų115.483%0.83463%0.628SS**  trans-155.2136.9158.3-101.6-34.5000111.3S765S765-N767 PolarHBondContact O-N 2.77Å
768S24Very low27.7Very low111 Ų111122.8 Ų122.878%0.77667%0.667SS**SBendtrans-68.4139171.4-52.10000110.1
769S22.9Very low26.5Very low98 Ų98127.2 Ų127.269%0.68570%0.699SS**SBendtrans69.8142.4176.772.80000117.6
770H24.2Very low26.2Very low166 Ų166131.7 Ų131.777%0.76973%0.729SS**  trans82.5115.7170.9-60.9-77.9000120.2
771L24.2Very low26.3Very low145 Ų145135.7 Ų135.776%0.75975%0.747SS**  trans74.5144.7152.7-56.6163.8000117.1
772F25.1Very low26.5Very low193 Ų193132.4 Ų132.485%0.84675%0.746SS**  cis-110.5149.15.1-84.1-101.7000113.6
773S23Very low26.7Very low99 Ų99132.1 Ų132.169%0.69275%0.745SS**  trans-114.1132.8164.6175.50000109.7
774V24.9Very low26.9Very low105 Ų105136.1 Ų136.164%0.63675%0.751SS**  trans-130.459.1171.7-165.50000110.5
775R25.8Very low27Very low157 Ų157137.8 Ų137.859%0.59277%0.769SS**SBendtrans-129.3141.6147.3-75.4-160.8-173.7-170.49.2109.2D122 S777D122-R775 IonicContact OD2-NH1 2.82Å; D122-R775 PolarHBondContact OD2-NH1 2.86Å; R775-S777 PolarHBondContact O-N 3.12Å
776R27.1Very low27.5Very low249 Ų249137.9 Ų137.994%0.9477%0.769SS**PPolyproline II helixtrans-67128.3-176.5-66.3175.8178165.7-1.6110.2
777S27.7Very low27.8Very low116 Ų116137.8 Ų137.881%0.81178%0.778SS**PPolyproline II helixtrans-69.1133.316240.40000110.1R775R775-S777 PolarHBondContact O-N 3.12Å
778L27.8Very low28.1Very low159 Ų159135.6 Ų135.683%0.83278%0.775SS**PPolyproline II helixtrans-75.8145.2157.1-74.6166.3000108.4
779P28Very low28.5Very low123 Ų123137.1 Ų137.180%0.79977%0.773SS**PPolyproline II helixtrans-77.1136-170.829.9-34.9000112.7
780V33.6Very low28.9Very low137 Ų137140.5 Ų140.583%0.8378%0.781SS**  trans-120129.1165.7-177.20000107.8
781P29.8Very low29.3Very low126 Ų126139.4 Ų139.482%0.81878%0.78SS**  trans-96.1140.5-173.535.1-33.5000114.4
782G31.1Very low29.6Very low70 Ų70136.8 Ų136.872%0.72277%0.774SS**  trans87150.3170.900000115.3
783E31.4Very low30Very low182 Ų182137 Ų13785%0.8577%0.774SS**  cis-147.6145.9-3.6-67.9-170.2105.400113.1
784L30.7Very low30.2Very low145 Ų145142.4 Ų142.476%0.75978%0.78SS**  trans40.191.2141.3-59.3172.4000123.2
785T29.3Very low30.5Very low126 Ų126145.5 Ų145.577%0.77379%0.785SS**  22.4125.7122.457.40000123.4
786S34.8Very low30.7Very low113 Ų113144.3 Ų144.379%0.7979%0.791SS**  179.1120.3125.647.90000109.8
787S32Very low31.2Very low117 Ų117138.3 Ų138.382%0.81878%0.784SS**  cis89.7105.545.373.30000115.2
788S33.5Very low31.3Very low110 Ų110136.7 Ų136.777%0.76979%0.786SS**  trans-173.8127.2147.5-1660000114.3
789L31.2Very low31.5Very low143 Ų143137.7 Ų137.775%0.74979%0.786SS**  trans18.6126.3150-68.7110.2000121.3
790M31Very low31.6Very low170 Ų170138.9 Ų138.984%0.83779%0.785SS**  73.6151.581.6-70.3-177167.600114.7
791D32.3Very low31.4Very low143 Ų143136.7 Ų136.777%0.76578%0.776SS**  cis-146.2-160.619.9-154.8-18.9000113.6
792S30.7Very low31.5Very low89 Ų89136.1 Ų136.162%0.62277%0.77SS**  trans-110.7169.6-149.6-490000116.8
793K33.4Very low31.5Very low197 Ų197139.4 Ų139.486%0.85777%0.771SS**  trans116.7149.3157.4-66.4156-171.9165.80115.2
794R28.8Very low31.6Very low213 Ų213138.2 Ų138.280%0.80477%0.77SS**  cis-179.4139.4-29.9-114.8-165.1-172.7-173.42.6108
795F29.6Very low31.5Very low170 Ų170139.8 Ų139.875%0.74677%0.77SS**  trans61.4154.8157.5-79.6-114.1000117.5
796D31.7Very low31.4Very low133 Ų133141 Ų14171%0.71177%0.769SS**  cis-157.2166.1-26-124.69.7000109
797P36Very low31.1Very low123 Ų123140.9 Ų140.980%0.79976%0.764SS**  trans-90.3153.6-167.634.9-35.4000115.8
798G31.4Very low31Very low82 Ų82142.4 Ų142.485%0.84576%0.763SS**  trans-149.4146.1175.800000113.3
799Q30.5Very low30.9Very low179 Ų179145.6 Ų145.684%0.83677%0.769SS**  trans-78.6157.8-166.9-58.6175.98.600115.7
800L31.4Very low30.7Very low149 Ų149142.5 Ų142.578%0.7877%0.765SS**  151.3128.1127.2-90.6109.3000109.2
801S28.5Very low30.6Very low91 Ų91141.5 Ų141.564%0.63676%0.763SS**  58.8122.980.3154.80000112.4
802T32.3Very low30.3Very low113 Ų113140.5 Ų140.569%0.69376%0.762SS**  cis-165.6166.818.614.20000112.3
803N29.8Very low30.4Very low139 Ų139144.6 Ų144.674%0.74377%0.773SS**  trans40.8120.2147.1-65.4-48.7000121.3
804L33.7Very low30.2Very low158 Ų158146.2 Ų146.283%0.82777%0.774SS**  173.9118.3116.9-107.593.2000107.6
805K28.7Very low30.5Very low178 Ų178143.9 Ų143.977%0.77478%0.777SS**  80.413180.8-92.7-169.7173.2-179.80116.4
806M27.4Very low30.6Very low150 Ų150142.6 Ų142.674%0.73978%0.776SS**  trans84.4111.8146.9-103.265.9-167.700122
807T29.2Very low30.8Very low112 Ų112142.3 Ų142.369%0.68778%0.781SS**  trans66.9127.7133.743.70000123.1
808N29.3Very low30.6Very low149 Ų149145.9 Ų145.980%0.79778%0.784SS**  trans32.1126.4131.5-57.6-4.4000120.1
809I30.8Very low30.8Very low176 Ų176147 Ų14790%0.90378%0.779SS**  -154.3150123.9-103.6149.1000108.9
810A28.1Very low30.9Very low79 Ų79144.4 Ų144.465%0.65378%0.776SS**  trans-121.6162.5177.200000111.3
811N27.8Very low30.8Very low149 Ų149142.4 Ų142.480%0.79777%0.774SS**  trans79.3144.8168.6-56.7-45.3000119.3
812T27.7Very low31.1Very low121 Ų121144 Ų14474%0.74278%0.779SS**  trans82.9102.9154-27.30000117.4
813M32.6Very low31Very low175 Ų175145.5 Ų145.586%0.86278%0.784SS**  -146.5136.895.9-74.9-135.59300111.1
814R28.1Very low31.3Very low231 Ų231146.5 Ų146.587%0.87279%0.789SS**  trans-90.9151.7158.6-60.9171.9178.6159.3-1.7107.4
815L34.9Very low31.2Very low165 Ų165144.2 Ų144.286%0.86479%0.786SS**  trans-167.6148.3135.6-104.4164.4000110.1
816I32.9Very low31.3Very low142 Ų142141.9 Ų141.973%0.72879%0.791SS**  trans-133.3149.8175.2-35.9175.8000106.2
817P34.8Very low31.5Very low128 Ų128145.2 Ų145.283%0.83180%0.795SS**  -136.2170.7123.632-17.6000113.8
818K32.5Very low31.5Very low198 Ų198146.8 Ų146.886%0.86180%0.798SS**  trans-107.1152.9-173.2-50.9168.5-178.6174.70111.8
819S35.5Very low31.6Very low104 Ų104148 Ų14873%0.72780%0.799SS**  trans-155109.3152.933.70000108.8
820T33.7Very low31.6Very low126 Ų126148 Ų14877%0.77380%0.795SS**  59.6111.5108.159.90000114.3
821S28.6Very low31.9Very low106 Ų106153 Ų15374%0.74181%0.805SS**  72.1129.791-152.10000111.8
822V35.2Very low31.9Very low124 Ų124154.7 Ų154.775%0.75281%0.806SS**  -159.9147.259.4158.40000110.6
823D30.3Very low32Very low146 Ų146156.1 Ų156.178%0.78181%0.808SS**  trans-66.1154168.8-61.3-87.4000113.5
824N34.8Very low31.8Very low160 Ų160152.6 Ų152.686%0.85680%0.796SS**  trans-168.4155.7132.9-105.9-53.2000114.5
825S31.5Very low31.9Very low110 Ų110149.9 Ų149.977%0.76979%0.793SS**  trans-126.1133.4178-71.10000111.9
826C31.1Very low31.8Very low129 Ų129146.6 Ų146.687%0.87279%0.785SS**  trans-167.8124.7157.4-102.70000107.3
827R31.4Very low31.9Very low219 Ų219145.7 Ų145.783%0.82679%0.791SS**  cis83.1105.318.9-149.6-174.4-162.6-150.85.3115.3
828L29.3Very low32Very low145 Ų145142.7 Ų142.776%0.75978%0.783SS**  trans68.6147.9169.6-60.7155.8000113.9
829Q32Very low32.1Very low174 Ų174141 Ų14181%0.81378%0.784SS**  cis-141166.742.5-148.987.8-17.200113.2
830Q30.5Very low32.3Very low176 Ų176141.2 Ų141.282%0.82279%0.785SS**  trans-100.4173.5164.4-82.9-174.7-30.200111.4
831Q34.2Very low32.6Very low185 Ų185140.7 Ų140.786%0.86479%0.786SS**  trans91.4147.4175-57.7167.6-4.600114.2
832F28.7Very low33.4Very low185 Ų185141.4 Ų141.481%0.81179%0.788SS**  cis161143.5-25.6-125.4-62.8000103.4
833L28.8Very low34.2Very low151 Ų151141 Ų14179%0.79179%0.788SS**  trans65152.5176.3-80.589.9000116.4
834V30Very low34.9Very low101 Ų101139.1 Ų139.161%0.61278%0.784SS**  cis-163.3150-29.882.40000109.2
835Q30Very low35.1Very low173 Ų173136.2 Ų136.281%0.80878%0.776SS**  trans63.8160.6164.1-76.9159.912.100116.7
836S31.9Very low35.5Very low97 Ų97136.8 Ų136.868%0.67878%0.775SS**  cis-162153-9.839.90000112.7
837S34.8Very low35.8Very low123 Ų123134.8 Ų134.886%0.8676%0.762SS**  trans60134.7143.362.70000123.1
838G36.4Very low36.2Very low64 Ų64131.5 Ų131.566%0.6676%0.756SS**  trans14493.4165.200000111.1
839N36.2Very low36.6Very low164 Ų164131 Ų13188%0.87775%0.754SS**  59.6136.788.7-67.70.5000113.5
840S38.5Very low36.7Very low107 Ų107127.8 Ų127.875%0.74875%0.751SS**  cis-175.7160.7-1.142.50000107.9
841S39.7Very low37.3Very low116 Ų116124.4 Ų124.481%0.81175%0.745SS**  cis-157.5176.96.1-115.20000110.8
842P45.4Very low37.3Very low120 Ų120123.1 Ų123.178%0.77974%0.738SS**  trans-111.7-139.4-162.445.2-34.3000115.6
843P52.3Low37.4Very low115 Ų115120.9 Ų120.975%0.74774%0.735SS**  trans-110.2-149.7-139.136.3-11.6000112.3
844P46.3Very low37.6Very low107 Ų107118.2 Ų118.270%0.69573%0.728SS**  -157.3-178.768.739.9-16.5000117.7
845S38.8Very low37.7Very low99 Ų99118.5 Ų118.569%0.69274%0.735SS**  trans45.5150.5141.566.90000122.2
846T40Very low37.9Very low123 Ų123115 Ų11576%0.75573%0.73SS**  cis-151.9161.541.942.40000115.5
847S36.3Very low37.8Very low86 Ų86116.3 Ų116.360%0.60174%0.738SS**  trans-29.3171.1154.454.80000118.7
848H40.1Very low37.8Very low150 Ų150115.1 Ų115.169%0.69473%0.729SS**  cis-162.8156.838.9-111.7-66.6000113.9
849N37.5Very low37.8Very low135 Ų135119.6 Ų119.672%0.72274%0.737SS**  trans61.6161.3146.2-60.5-10.1000119.6
850S34.5Very low37.6Very low106 Ų106119.9 Ų119.974%0.74173%0.731SS**  cis-171.7165.5-38-990000107.6
851P42.2Very low37.6Very low106 Ų106120.2 Ų120.269%0.68873%0.73SS**  trans-94.2167.7-163.337.8-37.7000114.7
852H35.2Very low37.3Very low157 Ų157121.2 Ų121.273%0.72773%0.725SS**  174.9152.4126-100-69.8000112.2
853N30.9Very low36.8Very low139 Ų139124.3 Ų124.374%0.74375%0.75SS**  trans47.3148.3141.4-60.38.3000120.5
854S32.1Very low36Very low94 Ų94124.8 Ų124.866%0.65775%0.75SS**  cis-172.9173.6-646.60000108.2
855S33Very low35.5Very low108 Ų108125.7 Ų125.776%0.75575%0.753SS**  trans63.1150.8158.9380000117.5
856S33.4Very low35.3Very low99 Ų99127.2 Ų127.269%0.69276%0.756SS**  cis-173.3152.2-12.946.70000109
857C30.7Very low35Very low125 Ų125127.5 Ų127.585%0.84576%0.757SS**  trans67.9153.8161.3-66.40000116.2
858S35.3Very low34.9Very low98 Ų98130.1 Ų130.169%0.68577%0.766SS**  cis-164.2153.1-3.730.50000112.8
859L35.9Very low34.6Very low157 Ų157128.7 Ų128.782%0.82277%0.771SS**  trans70.6100.4150.8-66.6160.7000120.7
860F31.3Very low34.4Very low171 Ų171128.3 Ų128.375%0.7578%0.775SS**  -6.6169.3119.7-67-86.5000119.9I862F860-I862 HydrophobicContact CD1-CD1 3.7Å; F860-I862 HydrophobicContact CD1-CG1 4.11Å; F860-I862 HydrophobicContact CE1-CD1 3.68Å
861P37.8Very low34.3Very low113 Ų113130 Ų13073%0.73478%0.777SS**  cis-119.8160.2-1.323.3-0.3000112.9
862I33.7Very low33.7Very low137 Ų137132 Ų13270%0.70378%0.784SS**  59102.363.2-54.4-176000114.9F860F860-I862 HydrophobicContact CD1-CD1 3.7Å; F860-I862 HydrophobicContact CD1-CG1 4.11Å; F860-I862 HydrophobicContact CE1-CD1 3.68Å
863S35Very low33.6Very low186 Ų186129.7 Ų129.7100%1.30179%0.79SS**  -129.30128.9650000107.5

Retrieved 863 of 863 residues in 1357.9 ms (Link to these results)

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