X2JDF6_DROME Loading...

HAT C-terminal dimerisation domain-containing protein

AlphaFold DB , UniProt , Accession X2JDF6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG13775, Length 502 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
1M46.7Very low67.8Low146 Ų14676.4 Ų76.472%0.71938%0.375SS*.  0128.70-152.4172.2-177.300107.5L3 I42 F494M1-L3 HydrophobicContact CB-CD1 4.33Å; M1-L3 HydrophobicContact CB-CG 4.49Å; M1-L3 HydrophobicContact CE-CD1 4.22Å; M1-L3 HydrophobicContact CG-CD1 3.97Å; M1-L3 HydrophobicContact CG-CG 4.06Å; M1-L3 PolarHBondContact O-N 3.05Å; M1-L3 HydrophobicContact SD-CD1 3.5Å; M1-L3 WeakPolarHBondContact SD-CD1 3.31Å; M1-L3 HydrophobicContact SD-CG 4.18Å; M1-I42 HydrophobicContact CE-CD1 4.02Å; M1-F494 HydrophobicContact CE-CE2 4.17Å; M1-F494 HydrophobicContact CE-CZ 4.16Å; M1-F494 HydrophobicContact SD-CD2 4.39Å; M1-F494 HydrophobicContact SD-CE1 4.32Å; M1-F494 HydrophobicContact SD-CE2 3.87Å; M1-F494 HydrophobicContact SD-CZ 3.83Å
2L54.4Low69.2Low88 Ų8871.7 Ų71.746%0.46136%0.36SS..  trans-70.317.3-173.7-73.1163.8000114.5N4 H5 F9 I10L2-N4 PolarHBondContact O-N 3.01Å; L2-H5 PolarHBondContact O-N 3.45Å; L2-F9 HydrophobicContact CD2-CD1 4.39Å; L2-F9 HydrophobicContact CD2-CE1 4.19Å; L2-I10 HydrophobicContact CD1-CG2 4.22Å
3L60.5Low70.6Confident17 Ų1773.9 Ų73.99%0.08938%0.383CS..THydrogen-bonded Turntrans-61.9-4.1-179.7-71.5166.8000114.6M1 L38 F494M1-L3 HydrophobicContact CB-CD1 4.33Å; M1-L3 HydrophobicContact CB-CG 4.49Å; M1-L3 HydrophobicContact CE-CD1 4.22Å; M1-L3 HydrophobicContact CG-CD1 3.97Å; M1-L3 HydrophobicContact CG-CG 4.06Å; M1-L3 PolarHBondContact O-N 3.05Å; M1-L3 HydrophobicContact SD-CD1 3.5Å; M1-L3 WeakPolarHBondContact SD-CD1 3.31Å; M1-L3 HydrophobicContact SD-CG 4.18Å; L3-L38 HydrophobicContact CD2-CD2 4.03Å; L3-F494 HydrophobicContact CD1-CD2 3.54Å; L3-F494 HydrophobicContact CD1-CE2 3.88Å; L3-F494 HydrophobicContact CD1-CG 4.36Å
4N63.4Low71.8Confident93 Ų9372.4 Ų72.450%0.49740%0.395SS..THydrogen-bonded Turntrans-105.9-0.6178.2-66.9-25.5000113.2L2 H470 K491L2-N4 PolarHBondContact O-N 3.01Å; N4-H470 PolarHBondContact O-CE1 3.32Å; N4-K491 WeakPolarHBondContact OD1-CE 3.17Å
5H68Low72.9Confident98 Ų9870.4 Ų70.445%0.45438%0.381SS..SBendtrans-117.2141.6-179-63.3-76.3000110L2 F9L2-H5 PolarHBondContact O-N 3.45Å; H5-F9 HydrophobicContact CB-CB 4.26Å; H5-F9 HydrophobicContact CB-CD1 4.31Å; H5-F9 HydrophobicContact CB-CG 4.37Å
6S69.4Low73.9Confident26 Ų2668.3 Ų68.318%0.18237%0.371CS..  trans-58.9151.8172.2163.20000111.1E8 F9 D474S6-E8 PolarHBondContact O-N 2.83Å; S6-E8 PolarHBondContact OG-N 3.21Å; S6-F9 VanDerWaalsContact O-CB 3.27Å; S6-F9 WeakPolarHBondContact O-CB 3.01Å; S6-F9 PolarHBondContact O-N 2.98Å; S6-D474 VanDerWaalsContact CB-OD1 3.26Å; S6-D474 WeakPolarHBondContact CB-OD1 3.24Å; S6-D474 PolarHBondContact OG-OD1 3.48Å
7F72.3Confident74.8Confident13 Ų1369.2 Ų69.26%0.05738%0.376CS..Hα-helixtrans-61.1-21.4170.7-70.2-67.2000113F9 I10 R31 E35 L38 L479 M487F7-F9 PolarHBondContact O-N 2.8Å; F7-I10 HydrophobicContact CD1-CD1 3.88Å; F7-I10 WeakPolarHBondContact O-CG1 3.3Å; F7-I10 PolarHBondContact O-N 3.32Å; F7-R31 HydrophobicContact CB-CG 4.13Å; F7-R31 HydrophobicContact CD1-CG 4.19Å; F7-R31 HydrophobicContact CD2-CG 4.48Å; F7-R31 HydrophobicContact CG-CG 4.04Å; F7-E35 HydrophobicContact CE1-CG 4.27Å; F7-E35 HydrophobicContact CE2-CG 3.99Å; F7-E35 HydrophobicContact CZ-CG 3.73Å; F7-L38 HydrophobicContact CE1-CD1 4.18Å; F7-L38 HydrophobicContact CZ-CD1 4.05Å; F7-L479 HydrophobicContact CE2-CD1 4.11Å; F7-M487 HydrophobicContact CD2-CE 4.41Å; F7-M487 HydrophobicContact CE1-CE 4.43Å; F7-M487 HydrophobicContact CE2-CE 3.45Å; F7-M487 VanDerWaalsContact CE2-CE 3.45Å; F7-M487 HydrophobicContact CE2-SD 3.49Å; F7-M487 WeakPolarHBondContact CE2-SD 3.29Å; F7-M487 HydrophobicContact CZ-CE 3.46Å; F7-M487 VanDerWaalsContact CZ-CE 3.46Å; F7-M487 HydrophobicContact CZ-SD 3.7Å
8E73.9Confident75.7Confident131 Ų13171.9 Ų71.961%0.61238%0.383SS*.Hα-helixtrans-62.8-28173.4-66.5-174.1167.200112.3S6 I10 E11 G12S6-E8 PolarHBondContact O-N 2.83Å; S6-E8 PolarHBondContact OG-N 3.21Å; E8-I10 PolarHBondContact O-N 3.11Å; E8-E11 PolarHBondContact O-N 3Å; E8-G12 PolarHBondContact O-N 2.98Å
9F80.1Confident76.6Confident89 Ų8969.7 Ų69.739%0.3937%0.371SS..Hα-helixtrans-63.6-39.9-179.3177.8-102.4000112.5L2 H5 S6 F7 E11 G12 F15L2-F9 HydrophobicContact CD2-CD1 4.39Å; L2-F9 HydrophobicContact CD2-CE1 4.19Å; H5-F9 HydrophobicContact CB-CB 4.26Å; H5-F9 HydrophobicContact CB-CD1 4.31Å; H5-F9 HydrophobicContact CB-CG 4.37Å; S6-F9 VanDerWaalsContact O-CB 3.27Å; S6-F9 WeakPolarHBondContact O-CB 3.01Å; S6-F9 PolarHBondContact O-N 2.98Å; F7-F9 PolarHBondContact O-N 2.8Å; F9-E11 VanDerWaalsContact C-N 3.27Å; F9-E11 PolarHBondContact O-N 3.31Å; F9-G12 PolarHBondContact O-N 3.47Å; F9-F15 HydrophobicContact CD1-CD2 4.14Å; F9-F15 HydrophobicContact CD1-CE2 4.42Å; F9-F15 HydrophobicContact CD1-CG 4.32Å; F9-F15 HydrophobicContact CE1-CB 4.42Å; F9-F15 AromaticContact CE1-CD2 3.27Å; F9-F15 HydrophobicContact CE1-CD2 3.27Å; F9-F15 AromaticContact CE1-CE2 3.53Å; F9-F15 HydrophobicContact CE1-CE2 3.53Å; F9-F15 AromaticContact CE1-CG 3.86Å; F9-F15 HydrophobicContact CE1-CG 3.86Å; F9-F15 HydrophobicContact CE1-CZ 4.3Å; F9-F15 HydrophobicContact CE2-CD2 4.48Å; F9-F15 HydrophobicContact CZ-CB 4.34Å; F9-F15 AromaticContact CZ-CD2 3.48Å; F9-F15 HydrophobicContact CZ-CD2 3.48Å; F9-F15 VanDerWaalsContact CZ-CD2 3.48Å; F9-F15 HydrophobicContact CZ-CE2 4.09Å; F9-F15 HydrophobicContact CZ-CG 4.15Å; F9-F15 VanDerWaalsContact O-CB 3.3Å; F9-F15 WeakPolarHBondContact O-CB 3.41Å
10I78.1Confident77.2Confident19 Ų1973.5 Ų73.510%0.09738%0.38CS..Hα-helixtrans-73-22.1179.847.9168.8000112.6L2 F7 E8 F15 Y34L2-I10 HydrophobicContact CD1-CG2 4.22Å; F7-I10 HydrophobicContact CD1-CD1 3.88Å; F7-I10 WeakPolarHBondContact O-CG1 3.3Å; F7-I10 PolarHBondContact O-N 3.32Å; E8-I10 PolarHBondContact O-N 3.11Å; I10-F15 HydrophobicContact CB-CD1 4.42Å; I10-F15 HydrophobicContact CB-CE1 4.34Å; I10-F15 HydrophobicContact CG2-CD1 4.33Å; I10-F15 HydrophobicContact CG2-CE1 3.87Å; I10-F15 HydrophobicContact CG2-CZ 4.44Å; I10-Y34 HydrophobicContact CD1-CD2 3.58Å; I10-Y34 HydrophobicContact CD1-CE2 3.91Å; I10-Y34 HydrophobicContact CD1-CG 4.47Å
11E78.9Confident78Confident120 Ų12075.5 Ų75.556%0.56140%0.396SS*.Hα-helixtrans-90-13.5175.8-62.5-176.1170.200112.3E8 F9E8-E11 PolarHBondContact O-N 3Å; F9-E11 VanDerWaalsContact C-N 3.27Å; F9-E11 PolarHBondContact O-N 3.31Å
12G84.4Confident80.3Confident20 Ų2074 Ų7421%0.20639%0.39CS..SBendtrans-62.6134.8-178.700000113.3E8 F9 G14 F15 V16E8-G12 PolarHBondContact O-N 2.98Å; F9-G12 PolarHBondContact O-N 3.47Å; G12-G14 PolarHBondContact O-N 3.5Å; G12-G14 VanDerWaalsContact O-N 3.13Å; G12-F15 PolarHBondContact O-N 3.29Å; G12-F15 VanDerWaalsContact O-N 3.09Å; G12-V16 WeakPolarHBondContact O-CG2 3.16Å; G12-V16 PolarHBondContact O-N 3.07Å
13P87.2Confident82.1Confident101 Ų10174.8 Ų74.866%0.65639%0.391SS*.Hα-helixtrans-60.3-31.4-174.922.7-33.3000113N17P13-N17 VanDerWaalsContact O-CB 3.3Å; P13-N17 WeakPolarHBondContact O-CB 3.49Å; P13-N17 PolarHBondContact O-N 3.24Å; P13-N17 PolarHBondContact O-ND2 3.17Å
14G88.7Confident83.4Confident53 Ų5378.4 Ų78.455%0.54642%0.416SS..Hα-helixtrans-63.4-49175.300000112.8G12 N17 F18G12-G14 PolarHBondContact O-N 3.5Å; G12-G14 VanDerWaalsContact O-N 3.13Å; G14-N17 PolarHBondContact O-N 2.91Å; G14-F18 WeakPolarHBondContact O-CB 3.48Å; G14-F18 PolarHBondContact O-N 3.44Å
15F88.1Confident84.8Confident42 Ų4285 Ų8518%0.18443%0.434CS..Hα-helixtrans-66.3-42.3178.1-176.8-102.2000111.4F9 I10 G12 N17 F18 I19 I28F9-F15 HydrophobicContact CD1-CD2 4.14Å; F9-F15 HydrophobicContact CD1-CE2 4.42Å; F9-F15 HydrophobicContact CD1-CG 4.32Å; F9-F15 HydrophobicContact CE1-CB 4.42Å; F9-F15 AromaticContact CE1-CD2 3.27Å; F9-F15 HydrophobicContact CE1-CD2 3.27Å; F9-F15 AromaticContact CE1-CE2 3.53Å; F9-F15 HydrophobicContact CE1-CE2 3.53Å; F9-F15 AromaticContact CE1-CG 3.86Å; F9-F15 HydrophobicContact CE1-CG 3.86Å; F9-F15 HydrophobicContact CE1-CZ 4.3Å; F9-F15 HydrophobicContact CE2-CD2 4.48Å; F9-F15 HydrophobicContact CZ-CB 4.34Å; F9-F15 AromaticContact CZ-CD2 3.48Å; F9-F15 HydrophobicContact CZ-CD2 3.48Å; F9-F15 VanDerWaalsContact CZ-CD2 3.48Å; F9-F15 HydrophobicContact CZ-CE2 4.09Å; F9-F15 HydrophobicContact CZ-CG 4.15Å; F9-F15 VanDerWaalsContact O-CB 3.3Å; F9-F15 WeakPolarHBondContact O-CB 3.41Å; I10-F15 HydrophobicContact CB-CD1 4.42Å; I10-F15 HydrophobicContact CB-CE1 4.34Å; I10-F15 HydrophobicContact CG2-CD1 4.33Å; I10-F15 HydrophobicContact CG2-CE1 3.87Å; I10-F15 HydrophobicContact CG2-CZ 4.44Å; G12-F15 PolarHBondContact O-N 3.29Å; G12-F15 VanDerWaalsContact O-N 3.09Å; F15-N17 PolarHBondContact O-N 3.12Å; F15-F18 WeakPolarHBondContact O-CB 3.47Å; F15-F18 PolarHBondContact O-N 2.94Å; F15-I19 HydrophobicContact CD1-CG1 4.11Å; F15-I19 HydrophobicContact CD2-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 4.32Å; F15-I19 HydrophobicContact CE1-CG1 3.69Å; F15-I19 HydrophobicContact CE2-CD1 4.11Å; F15-I19 HydrophobicContact CE2-CG1 4.07Å; F15-I19 HydrophobicContact CG-CG1 4.49Å; F15-I19 HydrophobicContact CZ-CD1 3.81Å; F15-I19 HydrophobicContact CZ-CG1 3.67Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 2.99Å; F15-I28 HydrophobicContact CD1-CD1 4.35Å; F15-I28 HydrophobicContact CE1-CD1 4.4Å
16V88.3Confident85.8Confident36 Ų3685.9 Ų85.922%0.21843%0.434CS..Hα-helixtrans-59-47.3176.71740000111.4G12 F18 I19 R20 I28G12-V16 WeakPolarHBondContact O-CG2 3.16Å; G12-V16 PolarHBondContact O-N 3.07Å; V16-F18 VanDerWaalsContact C-N 3.35Å; V16-F18 PolarHBondContact O-N 3.2Å; V16-I19 PolarHBondContact O-N 2.95Å; V16-R20 WeakPolarHBondContact O-CB 3.31Å; V16-R20 PolarHBondContact O-N 3.24Å; V16-I28 HydrophobicContact CB-CD1 4.15Å; V16-I28 HydrophobicContact CG1-CD1 4.3Å; V16-I28 HydrophobicContact CG2-CD1 3.85Å
17N89.6Confident86.6Confident85 Ų8589.5 Ų89.546%0.45546%0.455SS..Hα-helixtrans-65.4-38.3177.8-74.9-21.3000112.2P13 G14 F15 R20 T21P13-N17 VanDerWaalsContact O-CB 3.3Å; P13-N17 WeakPolarHBondContact O-CB 3.49Å; P13-N17 PolarHBondContact O-N 3.24Å; P13-N17 PolarHBondContact O-ND2 3.17Å; G14-N17 PolarHBondContact O-N 2.91Å; F15-N17 PolarHBondContact O-N 3.12Å; N17-R20 PolarHBondContact O-N 3.33Å; N17-R20 PolarHBondContact OD1-NH1 3.41Å; N17-T21 PolarHBondContact O-N 3.38Å; N17-T21 PolarHBondContact O-OG1 3.47Å
18F91.5Very high87.3Confident118 Ų11890.8 Ų90.852%0.51846%0.462SS..Hα-helixtrans-61.6-50.1175.9176.5-107000112G14 F15 V16 R20 T21 L22G14-F18 WeakPolarHBondContact O-CB 3.48Å; G14-F18 PolarHBondContact O-N 3.44Å; F15-F18 WeakPolarHBondContact O-CB 3.47Å; F15-F18 PolarHBondContact O-N 2.94Å; V16-F18 VanDerWaalsContact C-N 3.35Å; V16-F18 PolarHBondContact O-N 3.2Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.45Å; F18-T21 WeakPolarHBondContact O-CB 3.31Å; F18-T21 PolarHBondContact O-N 2.9Å; F18-T21 VanDerWaalsContact O-N 3.11Å; F18-L22 HydrophobicContact CD1-CD1 3.9Å; F18-L22 HydrophobicContact CE1-CD1 3.29Å; F18-L22 HydrophobicContact CE1-CG 4.25Å; F18-L22 HydrophobicContact CE2-CD1 4.08Å; F18-L22 HydrophobicContact CE2-CG 4.28Å; F18-L22 HydrophobicContact CZ-CD1 3.4Å; F18-L22 VanDerWaalsContact CZ-CD1 3.4Å; F18-L22 HydrophobicContact CZ-CD2 4.5Å; F18-L22 HydrophobicContact CZ-CG 4.09Å; F18-L22 PolarHBondContact O-N 3.28Å
19I91.5Very high87.9Confident29 Ų2988.2 Ų88.215%0.14945%0.45CS..Hα-helixtrans-63.2-40.4177.7-66.2-62.5000111.4F15 V16 T21 L22 Q23 Y26 I28F15-I19 HydrophobicContact CD1-CG1 4.11Å; F15-I19 HydrophobicContact CD2-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CD1 4.32Å; F15-I19 HydrophobicContact CE1-CG1 3.69Å; F15-I19 HydrophobicContact CE2-CD1 4.11Å; F15-I19 HydrophobicContact CE2-CG1 4.07Å; F15-I19 HydrophobicContact CG-CG1 4.49Å; F15-I19 HydrophobicContact CZ-CD1 3.81Å; F15-I19 HydrophobicContact CZ-CG1 3.67Å; F15-I19 WeakPolarHBondContact O-CG1 3.36Å; F15-I19 PolarHBondContact O-N 2.99Å; V16-I19 PolarHBondContact O-N 2.95Å; I19-T21 PolarHBondContact O-N 3.24Å; I19-L22 PolarHBondContact O-N 3.49Å; I19-Q23 CarbonylContact O-C 3.54Å; I19-Q23 PolarHBondContact O-N 3.37Å; I19-Y26 HydrophobicContact CG2-CD1 3.57Å; I19-Y26 HydrophobicContact CG2-CE1 4.19Å; I19-I28 HydrophobicContact CB-CD1 4.03Å; I19-I28 HydrophobicContact CB-CG1 4.49Å; I19-I28 HydrophobicContact CG1-CD1 4.27Å; I19-I28 HydrophobicContact CG2-CD1 4.11Å; I19-I28 HydrophobicContact CG2-CG1 4.04Å
20R89.5Confident88.1Confident145 Ų14587.4 Ų87.455%0.54745%0.454SS..Hα-helixtrans-61.8-32.4175.6-169.4-177.3-67144.3-1.6112.2V16 N17 F18 P24V16-R20 WeakPolarHBondContact O-CB 3.31Å; V16-R20 PolarHBondContact O-N 3.24Å; N17-R20 PolarHBondContact O-N 3.33Å; N17-R20 PolarHBondContact OD1-NH1 3.41Å; F18-R20 VanDerWaalsContact C-N 3.34Å; F18-R20 PolarHBondContact O-N 3.45Å; R20-P24 VanDerWaalsContact O-CA 3.24Å; R20-P24 WeakPolarHBondContact O-CA 3.23Å; R20-P24 VanDerWaalsContact O-CG 3.31Å; R20-P24 WeakPolarHBondContact O-CG 3.26Å
21T93.5Very high88.2Confident116 Ų11688.8 Ų88.871%0.71246%0.458SS*.Hα-helixtrans-73.1-42.9175.4-54.80000111.4N17 F18 I19N17-T21 PolarHBondContact O-N 3.38Å; N17-T21 PolarHBondContact O-OG1 3.47Å; F18-T21 WeakPolarHBondContact O-CB 3.31Å; F18-T21 PolarHBondContact O-N 2.9Å; F18-T21 VanDerWaalsContact O-N 3.11Å; I19-T21 PolarHBondContact O-N 3.24Å
22L94.2Very high88.4Confident114 Ų11486.6 Ų86.660%0.59746%0.456SS*.Hα-helixtrans-70-43.4179.9-73.9179.3000113.5F18 I19F18-L22 HydrophobicContact CD1-CD1 3.9Å; F18-L22 HydrophobicContact CE1-CD1 3.29Å; F18-L22 HydrophobicContact CE1-CG 4.25Å; F18-L22 HydrophobicContact CE2-CD1 4.08Å; F18-L22 HydrophobicContact CE2-CG 4.28Å; F18-L22 HydrophobicContact CZ-CD1 3.4Å; F18-L22 VanDerWaalsContact CZ-CD1 3.4Å; F18-L22 HydrophobicContact CZ-CD2 4.5Å; F18-L22 HydrophobicContact CZ-CG 4.09Å; F18-L22 PolarHBondContact O-N 3.28Å; I19-L22 PolarHBondContact O-N 3.49Å
23Q92.4Very high88.4Confident105 Ų10591.1 Ų91.149%0.49147%0.468SS..  trans-145.588.1-178.6-177.256.6-87.300109.8I19 R25 Y26I19-Q23 CarbonylContact O-C 3.54Å; I19-Q23 PolarHBondContact O-N 3.37Å; Q23-R25 PolarHBondContact O-N 3.07Å; Q23-Y26 PolarHBondContact O-N 3.38Å
24P89.4Confident88.1Confident94 Ų9488.6 Ų88.661%0.6145%0.445SS*.THydrogen-bonded Turntrans-59.6-23.4-174.7-24.331.5000115R20R20-P24 VanDerWaalsContact O-CA 3.24Å; R20-P24 WeakPolarHBondContact O-CA 3.23Å; R20-P24 VanDerWaalsContact O-CG 3.31Å; R20-P24 WeakPolarHBondContact O-CG 3.26Å
25R92.1Very high87.6Confident230 Ų23088 Ų8887%0.86843%0.429SS*.THydrogen-bonded Turntrans-85.9-9.2179.6-64.9-174.7179.9-174.70.6113.9Q23Q23-R25 PolarHBondContact O-N 3.07Å
26Y88.4Confident87.4Confident118 Ų11891.9 Ų91.946%0.46345%0.445SS..  trans-83.8118.3-179-179.6-95.5000110.3I19 Q23 I28 Y34I19-Y26 HydrophobicContact CG2-CD1 3.57Å; I19-Y26 HydrophobicContact CG2-CE1 4.19Å; Q23-Y26 PolarHBondContact O-N 3.38Å; Y26-I28 HydrophobicContact CD1-CG1 4.2Å; Y26-I28 HydrophobicContact CE1-CG1 3.99Å; Y26-Y34 PolarHBondContact OH-OH 3.39Å
27T86.1Confident87.2Confident102 Ų10292.6 Ų92.663%0.62645%0.447SS*.  trans-89.7114.6173.3-52.90000109.2Q29T27-Q29 PolarHBondContact O-N 3.07Å; T27-Q29 PolarHBondContact O-NE2 3.44Å
28I86.4Confident86.7Confident40 Ų4089.7 Ų89.721%0.20543%0.432CS..PPolyproline II helixtrans-62126.1169.6-60.2168.7000107.6F15 V16 I19 Y26 Y34F15-I28 HydrophobicContact CD1-CD1 4.35Å; F15-I28 HydrophobicContact CE1-CD1 4.4Å; V16-I28 HydrophobicContact CB-CD1 4.15Å; V16-I28 HydrophobicContact CG1-CD1 4.3Å; V16-I28 HydrophobicContact CG2-CD1 3.85Å; I19-I28 HydrophobicContact CB-CD1 4.03Å; I19-I28 HydrophobicContact CB-CG1 4.49Å; I19-I28 HydrophobicContact CG1-CD1 4.27Å; I19-I28 HydrophobicContact CG2-CD1 4.11Å; I19-I28 HydrophobicContact CG2-CG1 4.04Å; Y26-I28 HydrophobicContact CD1-CG1 4.2Å; Y26-I28 HydrophobicContact CE1-CG1 3.99Å; I28-Y34 HydrophobicContact CG2-CE2 4.43Å
29Q88.5Confident86Confident76 Ų7684.6 Ų84.636%0.35541%0.41SS..PPolyproline II helixtrans-81.2157.4-178.9-63.9-61.5-34.400110.3T27 Y33 Y34T27-Q29 PolarHBondContact O-N 3.07Å; T27-Q29 PolarHBondContact O-NE2 3.44Å; Q29-Y33 HydrophobicContact CB-CD1 3.37Å; Q29-Y33 HydrophobicContact CB-CD2 4.37Å; Q29-Y33 HydrophobicContact CB-CE1 4.04Å; Q29-Y33 HydrophobicContact CB-CG 3.56Å; Q29-Y33 HydrophobicContact CG-CD1 3.62Å; Q29-Y33 HydrophobicContact CG-CD2 4.29Å; Q29-Y33 HydrophobicContact CG-CE1 3.77Å; Q29-Y33 HydrophobicContact CG-CE2 4.44Å; Q29-Y33 HydrophobicContact CG-CG 3.89Å; Q29-Y34 HydrophobicContact CB-CE2 4.01Å; Q29-Y34 PolarHBondContact N-OH 3.42Å; Q29-Y34 WeakPolarHBondContact O-CE2 3.36Å
30P83.6Confident85.6Confident72 Ų7287.8 Ų87.847%0.46843%0.425SS..PPolyproline II helixtrans-65.1158.7175.928-35.6000111.3S32 Y33P30-S32 PolarHBondContact O-N 3.44Å; P30-S32 VanDerWaalsContact O-N 3.12Å; P30-Y33 VanDerWaalsContact O-CB 3.29Å; P30-Y33 WeakPolarHBondContact O-CB 3.34Å; P30-Y33 PolarHBondContact O-N 2.92Å
31R80.4Confident85.1Confident48 Ų4884.3 Ų84.318%0.18142%0.417CS..Hα-helixtrans-45-44.5175.5174.6176.3168.6-175.4-8.6113.7F7 Y33 Y34 E35F7-R31 HydrophobicContact CB-CG 4.13Å; F7-R31 HydrophobicContact CD1-CG 4.19Å; F7-R31 HydrophobicContact CD2-CG 4.48Å; F7-R31 HydrophobicContact CG-CG 4.04Å; R31-Y33 PolarHBondContact O-N 3.24Å; R31-Y34 PolarHBondContact O-N 3.46Å; R31-Y34 VanDerWaalsContact O-N 3.07Å; R31-E35 HydrophobicContact CG-CG 4.1Å; R31-E35 IonicContact CZ-OE1 3.93Å; R31-E35 VanDerWaalsContact CZ-OE1 3.25Å; R31-E35 IonicContact NE-OE1 2.75Å; R31-E35 PolarHBondContact NE-OE1 3.13Å; R31-E35 IonicContact NH2-OE1 3.26Å; R31-E35 PolarHBondContact NH2-OE1 3.01Å; R31-E35 PolarHBondContact O-N 3.26Å
32S81.6Confident84.5Confident75 Ų7580.9 Ų80.952%0.52439%0.394SS..Hα-helixtrans-58-31.518056.80000113.9P30 K36P30-S32 PolarHBondContact O-N 3.44Å; P30-S32 VanDerWaalsContact O-N 3.12Å; S32-K36 WeakPolarHBondContact O-CB 3.4Å; S32-K36 PolarHBondContact O-N 2.96Å; S32-K36 VanDerWaalsContact O-N 3.07Å
33Y84.8Confident84Confident115 Ų11576.7 Ų76.745%0.45137%0.371SS..Hα-helixtrans-66.9-46.6175.5175.7-93.3000111.3Q29 P30 R31 K36 I37Q29-Y33 HydrophobicContact CB-CD1 3.37Å; Q29-Y33 HydrophobicContact CB-CD2 4.37Å; Q29-Y33 HydrophobicContact CB-CE1 4.04Å; Q29-Y33 HydrophobicContact CB-CG 3.56Å; Q29-Y33 HydrophobicContact CG-CD1 3.62Å; Q29-Y33 HydrophobicContact CG-CD2 4.29Å; Q29-Y33 HydrophobicContact CG-CE1 3.77Å; Q29-Y33 HydrophobicContact CG-CE2 4.44Å; Q29-Y33 HydrophobicContact CG-CG 3.89Å; P30-Y33 VanDerWaalsContact O-CB 3.29Å; P30-Y33 WeakPolarHBondContact O-CB 3.34Å; P30-Y33 PolarHBondContact O-N 2.92Å; R31-Y33 PolarHBondContact O-N 3.24Å; Y33-K36 PolarHBondContact O-N 2.98Å; Y33-I37 HydrophobicContact CD1-CD1 3.83Å; Y33-I37 HydrophobicContact CE1-CD1 3.24Å; Y33-I37 HydrophobicContact CE1-CG1 4.48Å; Y33-I37 HydrophobicContact CE2-CD1 4.16Å; Y33-I37 VanDerWaalsContact CZ-CD1 3.43Å; Y33-I37 WeakPolarHBondContact O-CG1 2.92Å; Y33-I37 PolarHBondContact O-N 3.46Å; Y33-I37 VanDerWaalsContact O-N 3.17Å
34Y81.3Confident83.6Confident48 Ų4878.4 Ų78.419%0.18837%0.373CS..Hα-helixtrans-70.8-40.2-179.9-62.9-63.9000111.9I10 Y26 I28 Q29 R31 K36 I37 L38I10-Y34 HydrophobicContact CD1-CD2 3.58Å; I10-Y34 HydrophobicContact CD1-CE2 3.91Å; I10-Y34 HydrophobicContact CD1-CG 4.47Å; Y26-Y34 PolarHBondContact OH-OH 3.39Å; I28-Y34 HydrophobicContact CG2-CE2 4.43Å; Q29-Y34 HydrophobicContact CB-CE2 4.01Å; Q29-Y34 PolarHBondContact N-OH 3.42Å; Q29-Y34 WeakPolarHBondContact O-CE2 3.36Å; R31-Y34 PolarHBondContact O-N 3.46Å; R31-Y34 VanDerWaalsContact O-N 3.07Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.46Å; Y34-I37 PolarHBondContact O-N 3.24Å; Y34-L38 VanDerWaalsContact O-CB 3.31Å; Y34-L38 WeakPolarHBondContact O-CB 3.2Å; Y34-L38 VanDerWaalsContact O-CG 3.31Å; Y34-L38 WeakPolarHBondContact O-CG 3.46Å; Y34-L38 PolarHBondContact O-N 3.03Å
35E78.6Confident83.5Confident41 Ų4181.1 Ų81.119%0.19238%0.375CS..Hα-helixtrans-57-45.1173.3-76.4-178.4163.900111.2F7 R31 L38 C39 L479F7-E35 HydrophobicContact CE1-CG 4.27Å; F7-E35 HydrophobicContact CE2-CG 3.99Å; F7-E35 HydrophobicContact CZ-CG 3.73Å; R31-E35 HydrophobicContact CG-CG 4.1Å; R31-E35 IonicContact CZ-OE1 3.93Å; R31-E35 VanDerWaalsContact CZ-OE1 3.25Å; R31-E35 IonicContact NE-OE1 2.75Å; R31-E35 PolarHBondContact NE-OE1 3.13Å; R31-E35 IonicContact NH2-OE1 3.26Å; R31-E35 PolarHBondContact NH2-OE1 3.01Å; R31-E35 PolarHBondContact O-N 3.26Å; E35-L38 PolarHBondContact O-N 3.37Å; E35-C39 WeakPolarHBondContact O-CB 3.3Å; E35-C39 PolarHBondContact O-N 3.18Å; E35-C39 PolarHBondContact O-SG 3.09Å; E35-C39 VanDerWaalsContact O-SG 3.42Å; E35-L479 WeakPolarHBondContact OE1-CD1 3.4Å
36K82.9Confident83.2Confident122 Ų12271.2 Ų71.253%0.5334%0.339SS..Hα-helixtrans-59.4-50.3176.9-171.1-179.9-178.9177.40112S32 Y33 Y34 L38 E40S32-K36 WeakPolarHBondContact O-CB 3.4Å; S32-K36 PolarHBondContact O-N 2.96Å; S32-K36 VanDerWaalsContact O-N 3.07Å; Y33-K36 PolarHBondContact O-N 2.98Å; Y34-K36 VanDerWaalsContact C-N 3.31Å; Y34-K36 PolarHBondContact O-N 3.46Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.42Å; K36-E40 WeakPolarHBondContact CE-OE2 3.38Å; K36-E40 HydrophobicContact CG-CG 4.25Å; K36-E40 VanDerWaalsContact CG-OE2 3.3Å; K36-E40 WeakPolarHBondContact CG-OE2 3.5Å; K36-E40 VanDerWaalsContact O-CB 3.23Å; K36-E40 WeakPolarHBondContact O-CB 3.3Å; K36-E40 PolarHBondContact O-N 3.32Å
37I84.1Confident83.2Confident52 Ų5267.6 Ų67.627%0.26733%0.326SS..Iπ-helixtrans-59.8-45.3179.2-70173.1000111.3Y33 Y34 D41 I42Y33-I37 HydrophobicContact CD1-CD1 3.83Å; Y33-I37 HydrophobicContact CE1-CD1 3.24Å; Y33-I37 HydrophobicContact CE1-CG1 4.48Å; Y33-I37 HydrophobicContact CE2-CD1 4.16Å; Y33-I37 VanDerWaalsContact CZ-CD1 3.43Å; Y33-I37 WeakPolarHBondContact O-CG1 2.92Å; Y33-I37 PolarHBondContact O-N 3.46Å; Y33-I37 VanDerWaalsContact O-N 3.17Å; Y34-I37 PolarHBondContact O-N 3.24Å; I37-D41 PolarHBondContact O-N 3.16Å; I37-I42 HydrophobicContact CG2-CD1 3.86Å; I37-I42 HydrophobicContact CG2-CG1 4.24Å; I37-I42 WeakPolarHBondContact O-CG1 3.46Å; I37-I42 PolarHBondContact O-N 3.25Å
38L79.6Confident83.2Confident24 Ų2468.2 Ų68.213%0.12632%0.322CS..Iπ-helixtrans-66.9-51.4-178.5-76.9167.7000111.6L3 F7 Y34 E35 K36 I42 Q43 M490L3-L38 HydrophobicContact CD2-CD2 4.03Å; F7-L38 HydrophobicContact CE1-CD1 4.18Å; F7-L38 HydrophobicContact CZ-CD1 4.05Å; Y34-L38 VanDerWaalsContact O-CB 3.31Å; Y34-L38 WeakPolarHBondContact O-CB 3.2Å; Y34-L38 VanDerWaalsContact O-CG 3.31Å; Y34-L38 WeakPolarHBondContact O-CG 3.46Å; Y34-L38 PolarHBondContact O-N 3.03Å; E35-L38 PolarHBondContact O-N 3.37Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.42Å; L38-I42 HydrophobicContact CD2-CD1 3.87Å; L38-Q43 PolarHBondContact O-N 2.96Å; L38-M490 HydrophobicContact CB-CE 3.94Å; L38-M490 HydrophobicContact CD2-CE 4.06Å; L38-M490 HydrophobicContact CD2-SD 4.32Å
39C78.1Confident83.3Confident10 Ų1070.3 Ų70.37%0.06833%0.331CS..Iπ-helixtrans-85.1-17-170.8-62.70000114E35 Q43 K486E35-C39 WeakPolarHBondContact O-CB 3.3Å; E35-C39 PolarHBondContact O-N 3.18Å; E35-C39 PolarHBondContact O-SG 3.09Å; E35-C39 VanDerWaalsContact O-SG 3.42Å; C39-Q43 PolarHBondContact O-OE1 3.37Å; C39-K486 HydrophobicContact CB-CD 3.8Å
40E81.3Confident83.4Confident96 Ų9666.8 Ų66.845%0.44932%0.315SS..Iπ-helixtrans-108.6-56.2178.2-60.2-178.2176.100112.2K36 R44K36-E40 WeakPolarHBondContact CE-OE2 3.38Å; K36-E40 HydrophobicContact CG-CG 4.25Å; K36-E40 VanDerWaalsContact CG-OE2 3.3Å; K36-E40 WeakPolarHBondContact CG-OE2 3.5Å; K36-E40 VanDerWaalsContact O-CB 3.23Å; K36-E40 WeakPolarHBondContact O-CB 3.3Å; K36-E40 PolarHBondContact O-N 3.32Å; E40-R44 VanDerWaalsContact O-CB 3.26Å; E40-R44 WeakPolarHBondContact O-CB 3.49Å; E40-R44 PolarHBondContact O-N 2.89Å
41D79.6Confident83.8Confident73 Ų7368.4 Ų68.439%0.3931%0.314SS..Iπ-helixtrans-82.6-50.3-170.1-70.2-26.2000111.9I37 R44 K45I37-D41 PolarHBondContact O-N 3.16Å; D41-R44 PolarHBondContact O-N 2.88Å; D41-R44 IonicContact OD1-NH2 2.85Å; D41-R44 PolarHBondContact OD1-NH2 3.05Å; D41-K45 WeakPolarHBondContact O-CG 3.33Å; D41-K45 PolarHBondContact O-N 2.87Å
42I82.2Confident84.2Confident43 Ų4371.8 Ų71.822%0.22133%0.332CS..Iπ-helixtrans-69.8-42.3-178.6-63172.6000110M1 I37 L38 R44 K45 M46 M490M1-I42 HydrophobicContact CE-CD1 4.02Å; I37-I42 HydrophobicContact CG2-CD1 3.86Å; I37-I42 HydrophobicContact CG2-CG1 4.24Å; I37-I42 WeakPolarHBondContact O-CG1 3.46Å; I37-I42 PolarHBondContact O-N 3.25Å; L38-I42 HydrophobicContact CD2-CD1 3.87Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.42Å; I42-K45 PolarHBondContact O-N 2.71Å; I42-M46 WeakPolarHBondContact O-CB 3.44Å; I42-M46 PolarHBondContact O-N 2.98Å; I42-M490 HydrophobicContact CB-SD 3.98Å; I42-M490 HydrophobicContact CG2-CG 4.47Å; I42-M490 HydrophobicContact CG2-SD 3.46Å; I42-M490 WeakPolarHBondContact CG2-SD 3.49Å
43Q82.9Confident84.6Confident27 Ų2769.9 Ų69.913%0.12632%0.315CS..Hα-helixtrans-58.6-43.9176.7-166.6-165.21.600112.1L38 C39 K45 M46 H47L38-Q43 PolarHBondContact O-N 2.96Å; C39-Q43 PolarHBondContact O-OE1 3.37Å; Q43-K45 PolarHBondContact O-N 2.84Å; Q43-M46 HydrophobicContact CG-CE 4.22Å; Q43-M46 PolarHBondContact O-N 3.5Å; Q43-H47 PolarHBondContact NE2-CE1 3.17Å; Q43-H47 PolarHBondContact NE2-NE2 3.23Å; Q43-H47 PolarHBondContact O-N 2.81Å
44R84.6Confident84.9Confident141 Ų14164.4 Ų64.453%0.53229%0.293SS..Hα-helixtrans-61.7-44.5179.2-168.2-171.3-42.5154.617.1111.9E40 D41 I42 M46 H47 Q48E40-R44 VanDerWaalsContact O-CB 3.26Å; E40-R44 WeakPolarHBondContact O-CB 3.49Å; E40-R44 PolarHBondContact O-N 2.89Å; D41-R44 PolarHBondContact O-N 2.88Å; D41-R44 IonicContact OD1-NH2 2.85Å; D41-R44 PolarHBondContact OD1-NH2 3.05Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.42Å; R44-M46 VanDerWaalsContact C-N 3.34Å; R44-H47 PolarHBondContact O-N 3.43Å; R44-Q48 WeakPolarHBondContact O-CG 3.44Å; R44-Q48 PolarHBondContact O-N 2.91Å
45K85.8Confident85.4Confident150 Ų15066.3 Ų66.365%0.65231%0.307SS*.Hα-helixtrans-62.5-41.5175.3-71178-179.6178.40111.6D41 I42 Q43 Q48 H49D41-K45 WeakPolarHBondContact O-CG 3.33Å; D41-K45 PolarHBondContact O-N 2.87Å; I42-K45 PolarHBondContact O-N 2.71Å; Q43-K45 PolarHBondContact O-N 2.84Å; K45-Q48 PolarHBondContact O-N 3.49Å; K45-H49 WeakPolarHBondContact O-CB 3.4Å; K45-H49 PolarHBondContact O-N 2.95Å
46M86.3Confident86Confident22 Ų2268.8 Ų68.811%0.10832%0.321CS..Hα-helixtrans-63.2-45.4176.4-179.4-178.86000111.6I42 Q43 R44 Q48 H49 L50 L489 M490 N493I42-M46 WeakPolarHBondContact O-CB 3.44Å; I42-M46 PolarHBondContact O-N 2.98Å; Q43-M46 HydrophobicContact CG-CE 4.22Å; Q43-M46 PolarHBondContact O-N 3.5Å; R44-M46 VanDerWaalsContact C-N 3.34Å; M46-Q48 VanDerWaalsContact C-N 3.32Å; M46-Q48 PolarHBondContact O-N 3.3Å; M46-H49 WeakPolarHBondContact O-CB 3.13Å; M46-H49 PolarHBondContact O-N 3.19Å; M46-L50 HydrophobicContact CG-CD1 4.01Å; M46-L50 HydrophobicContact CG-CG 4.2Å; M46-L50 WeakPolarHBondContact O-CB 3.45Å; M46-L50 VanDerWaalsContact O-CG 3.3Å; M46-L50 WeakPolarHBondContact O-CG 3.3Å; M46-L50 PolarHBondContact O-N 3.11Å; M46-L489 HydrophobicContact CE-CB 4.04Å; M46-L489 HydrophobicContact CE-CD2 3.52Å; M46-L489 HydrophobicContact CE-CG 3.51Å; M46-L489 HydrophobicContact SD-CG 4.22Å; M46-M490 HydrophobicContact CE-CB 4.43Å; M46-M490 HydrophobicContact CE-CG 3.52Å; M46-M490 VanDerWaalsContact SD-CA 3.5Å; M46-M490 HydrophobicContact SD-CB 4.17Å; M46-M490 HydrophobicContact SD-CG 3.68Å; M46-N493 HydrophobicContact SD-CB 4.3Å
47H87.6Confident86.4Confident42 Ų4263 Ų6319%0.19430%0.296CS..Hα-helixtrans-61.8-39.7176.6-71152.7000112.6Q43 R44 H49 L50 K51Q43-H47 PolarHBondContact NE2-CE1 3.17Å; Q43-H47 PolarHBondContact NE2-NE2 3.23Å; Q43-H47 PolarHBondContact O-N 2.81Å; R44-H47 PolarHBondContact O-N 3.43Å; H47-H49 VanDerWaalsContact C-N 3.34Å; H47-L50 PolarHBondContact O-N 3.01Å; H47-K51 WeakPolarHBondContact O-CB 3.47Å; H47-K51 PolarHBondContact O-N 2.81Å
48Q88.1Confident86.8Confident116 Ų11663.2 Ų63.254%0.54230%0.298SS..Hα-helixtrans-61.4-43.9173.8-73.2175.6-16.100111.4R44 K45 M46 K51 Q52R44-Q48 WeakPolarHBondContact O-CG 3.44Å; R44-Q48 PolarHBondContact O-N 2.91Å; K45-Q48 PolarHBondContact O-N 3.49Å; M46-Q48 VanDerWaalsContact C-N 3.32Å; M46-Q48 PolarHBondContact O-N 3.3Å; Q48-K51 PolarHBondContact O-N 2.71Å; Q48-Q52 WeakPolarHBondContact O-CG 3.25Å; Q48-Q52 PolarHBondContact O-N 2.9Å
49H88.5Confident87.5Confident84 Ų8462.8 Ų62.839%0.38930%0.297SS..Hα-helixtrans-64-47.2176.1-178.970.4000112.1K45 M46 H47 K51 Q52 Q53K45-H49 WeakPolarHBondContact O-CB 3.4Å; K45-H49 PolarHBondContact O-N 2.95Å; M46-H49 WeakPolarHBondContact O-CB 3.13Å; M46-H49 PolarHBondContact O-N 3.19Å; H47-H49 VanDerWaalsContact C-N 3.34Å; H49-K51 VanDerWaalsContact C-N 3.29Å; H49-K51 PolarHBondContact O-N 3.42Å; H49-Q52 WeakPolarHBondContact O-CB 3.2Å; H49-Q52 PolarHBondContact O-N 2.95Å; H49-Q52 VanDerWaalsContact O-N 3.16Å; H49-Q53 PolarHBondContact CE1-NE2 3.43Å; H49-Q53 WeakPolarHBondContact O-CG 3.13Å; H49-Q53 PolarHBondContact O-N 3.35Å
50L90.1Very high88.2Confident2 Ų262.3 Ų62.31%0.0129%0.294CS..Hα-helixtrans-58.1-42.5176.6-73.2174.5000111.5M46 H47 Q53 V54 L92 I120M46-L50 HydrophobicContact CG-CD1 4.01Å; M46-L50 HydrophobicContact CG-CG 4.2Å; M46-L50 WeakPolarHBondContact O-CB 3.45Å; M46-L50 VanDerWaalsContact O-CG 3.3Å; M46-L50 WeakPolarHBondContact O-CG 3.3Å; M46-L50 PolarHBondContact O-N 3.11Å; H47-L50 PolarHBondContact O-N 3.01Å; L50-Q53 PolarHBondContact O-N 2.79Å; L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.36Å; L50-L92 HydrophobicContact CD2-CB 3.87Å; L50-L92 HydrophobicContact CD2-CD1 4.34Å; L50-L92 HydrophobicContact CD2-CD2 4.14Å; L50-L92 HydrophobicContact CD2-CG 4.34Å; L50-I120 HydrophobicContact CB-CD1 3.35Å; L50-I120 HydrophobicContact CD1-CD1 4.14Å; L50-I120 HydrophobicContact CG-CD1 4.4Å
51K90.6Very high88.9Confident105 Ų10557.7 Ų57.746%0.45727%0.273SS..Hα-helixtrans-59.8-49.3175-177.9173-180173.50111.1H47 Q48 H49 Q53 V54 D55 I120H47-K51 WeakPolarHBondContact O-CB 3.47Å; H47-K51 PolarHBondContact O-N 2.81Å; Q48-K51 PolarHBondContact O-N 2.71Å; H49-K51 VanDerWaalsContact C-N 3.29Å; H49-K51 PolarHBondContact O-N 3.42Å; K51-Q53 VanDerWaalsContact C-N 3.29Å; K51-Q53 PolarHBondContact O-N 3.44Å; K51-V54 PolarHBondContact O-N 3.29Å; K51-D55 WeakPolarHBondContact O-CB 3.39Å; K51-D55 PolarHBondContact O-N 3.4Å; K51-I120 HydrophobicContact CB-CG2 3.93Å; K51-I120 HydrophobicContact CG-CG2 4.08Å
52Q90.4Very high89.5Confident120 Ų12054.3 Ų54.356%0.56125%0.254SS*.Hα-helixtrans-57.6-42.4176.6-71.3169.8-7.100112Q48 H49 D55 L56Q48-Q52 WeakPolarHBondContact O-CG 3.25Å; Q48-Q52 PolarHBondContact O-N 2.9Å; H49-Q52 WeakPolarHBondContact O-CB 3.2Å; H49-Q52 PolarHBondContact O-N 2.95Å; H49-Q52 VanDerWaalsContact O-N 3.16Å; Q52-D55 PolarHBondContact O-N 3.25Å; Q52-L56 WeakPolarHBondContact O-CG 3.44Å; Q52-L56 PolarHBondContact O-N 3.44Å
53Q90.2Very high90Very high34 Ų3452.2 Ų52.216%0.15924%0.244CC..Hα-helixtrans-66.6-42.7178.8-67.2-61.1-40.500112.1H49 L50 K51 D55 L56 L57 H90 L92H49-Q53 PolarHBondContact CE1-NE2 3.43Å; H49-Q53 WeakPolarHBondContact O-CG 3.13Å; H49-Q53 PolarHBondContact O-N 3.35Å; L50-Q53 PolarHBondContact O-N 2.79Å; K51-Q53 VanDerWaalsContact C-N 3.29Å; K51-Q53 PolarHBondContact O-N 3.44Å; Q53-D55 VanDerWaalsContact C-N 3.29Å; Q53-D55 PolarHBondContact O-N 2.9Å; Q53-L56 WeakPolarHBondContact O-CB 3.47Å; Q53-L56 PolarHBondContact O-N 3.34Å; Q53-L57 WeakPolarHBondContact O-CG 3.27Å; Q53-H90 PolarHBondContact OE1-CD2 3.28Å; Q53-H90 PolarHBondContact OE1-NE2 3.34Å; Q53-L92 HydrophobicContact CB-CD1 3.5Å; Q53-L92 VanDerWaalsContact CB-CD1 3.5Å; Q53-L92 HydrophobicContact CB-CD2 4.2Å; Q53-L92 HydrophobicContact CB-CG 4.49Å; Q53-L92 HydrophobicContact CG-CD1 4.5Å; Q53-L92 HydrophobicContact CG-CD2 4.37Å
54V91.3Very high90.3Very high0 Ų051.3 Ų51.30%024%0.24CC..Hα-helixtrans-65.2-34.2175.2172.80000111.7L50 K51 L56 L57 L92 L94 K126L50-V54 WeakPolarHBondContact O-CG2 3.33Å; L50-V54 PolarHBondContact O-N 3.36Å; K51-V54 PolarHBondContact O-N 3.29Å; V54-L56 VanDerWaalsContact C-N 3.28Å; V54-L56 PolarHBondContact O-N 3.34Å; V54-L57 PolarHBondContact O-N 3.33Å; V54-L92 HydrophobicContact CG2-CD1 4Å; V54-L94 HydrophobicContact CG2-CD2 4Å; V54-K126 PolarHBondContact O-NZ 3.26Å
55D90.3Very high90.5Very high89 Ų8944.8 Ų44.848%0.47622%0.216SC..Hα-helixtrans-65.3-31.2177.5-71.8-23.5000112.4K51 Q52 Q53 L57 K126K51-D55 WeakPolarHBondContact O-CB 3.39Å; K51-D55 PolarHBondContact O-N 3.4Å; Q52-D55 PolarHBondContact O-N 3.25Å; Q53-D55 VanDerWaalsContact C-N 3.29Å; Q53-D55 PolarHBondContact O-N 2.9Å; D55-L57 PolarHBondContact O-N 3.25Å; D55-K126 PolarHBondContact O-NZ 2.92Å
56L90.8Very high90.4Very high93 Ų9338.1 Ų38.149%0.48719%0.187SC..THydrogen-bonded Turntrans-69.2-16.6175.8-66.7171.1000114Q52 Q53 V54Q52-L56 WeakPolarHBondContact O-CG 3.44Å; Q52-L56 PolarHBondContact O-N 3.44Å; Q53-L56 WeakPolarHBondContact O-CB 3.47Å; Q53-L56 PolarHBondContact O-N 3.34Å; V54-L56 VanDerWaalsContact C-N 3.28Å; V54-L56 PolarHBondContact O-N 3.34Å
57L92.9Very high90.1Very high0 Ų040.1 Ų40.10%019%0.194CC..EExtended strand (participates in β ladder)trans-96127.7-174.3-56.2172.4000110Q53 V54 D55 I60 H90 K126Q53-L57 WeakPolarHBondContact O-CG 3.27Å; V54-L57 PolarHBondContact O-N 3.33Å; D55-L57 PolarHBondContact O-N 3.25Å; L57-I60 HydrophobicContact CB-CG2 3.77Å; L57-I60 HydrophobicContact CD1-CG2 3.71Å; L57-I60 HydrophobicContact CG-CG2 4.39Å; L57-H90 HydrophobicContact CD1-CB 4.35Å; L57-H90 HydrophobicContact CD2-CB 4.17Å; L57-K126 WeakPolarHBondContact O-CE 3.17Å; L57-K126 PolarHBondContact O-NZ 3.22Å
58D91Very high89.5Confident57 Ų5742.6 Ų42.631%0.30520%0.201SC..EExtended strand (participates in β ladder)trans-75.9-32.7177.2-57.2-45.6000111.1R85 R449D58-R85 IonicContact OD1-CZ 3.25Å; D58-R85 IonicContact OD1-NE 2.71Å; D58-R85 PolarHBondContact OD1-NE 3.41Å; D58-R85 IonicContact OD1-NH2 2.87Å; D58-R85 PolarHBondContact OD1-NH2 3.35Å; D58-R85 VanDerWaalsContact OD1-NH2 3.14Å; D58-R85 IonicContact OD2-NE 2.71Å; D58-R449 IonicContact OD2-CZ 3.65Å; D58-R449 VanDerWaalsContact OD2-CZ 3.29Å; D58-R449 IonicContact OD2-NE 3.22Å; D58-R449 PolarHBondContact OD2-NE 3.34Å; D58-R449 VanDerWaalsContact OD2-NE 3.09Å; D58-R449 IonicContact OD2-NH2 3.14Å; D58-R449 PolarHBondContact OD2-NH2 3.24Å
59A94.1Very high88.7Confident14 Ų1437.6 Ų37.612%0.11618%0.181CC..EExtended strand (participates in β ladder)trans-144.6150.2175.600000110.2K126 K450A59-K126 CarbonylContact C-O 3.55Å; A59-K126 WeakPolarHBondContact CA-O 3.49Å; A59-K450 HydrophobicContact CB-CB 3.97Å; A59-K450 HydrophobicContact CB-CG 3.92Å
60I94.3Very high87.5Confident0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-134.2143.2-179.666.5172.8000111.9L57 L62 C80 S81 V122 K126 I127 H128L57-I60 HydrophobicContact CB-CG2 3.77Å; L57-I60 HydrophobicContact CD1-CG2 3.71Å; L57-I60 HydrophobicContact CG-CG2 4.39Å; I60-L62 HydrophobicContact CD1-CD2 3.83Å; I60-L62 HydrophobicContact CG1-CD2 4.45Å; I60-C80 HydrophobicContact CB-CB 4.46Å; I60-C80 HydrophobicContact CD1-CB 4.25Å; I60-S81 CarbonylContact C-O 3.37Å; I60-S81 VanDerWaalsContact CA-O 3.29Å; I60-S81 WeakPolarHBondContact CA-O 3.36Å; I60-V122 HydrophobicContact CD1-CG1 3.44Å; I60-V122 VanDerWaalsContact CD1-CG1 3.44Å; I60-K126 PolarHBondContact N-O 3.14Å; I60-I127 HydrophobicContact CG1-CG1 4.46Å; I60-H128 WeakPolarHBondContact O-CB 3.32Å; I60-H128 PolarHBondContact O-N 3.22Å
61S94.4Very high86.4Confident0 Ų048.9 Ų48.90%024%0.236CC..EExtended strand (participates in β ladder)trans-102.7123.6167.2-68.80000109.1C80 S81 C129 S453 A454S61-C80 CarbonylContact O-C 3.48Å; S61-C80 WeakPolarHBondContact O-CA 3.27Å; S61-S81 WeakPolarHBondContact CB-OG 3.32Å; S61-S81 PolarHBondContact N-O 3.01Å; S61-S81 PolarHBondContact O-N 3.41Å; S61-S81 PolarHBondContact O-OG 3.31Å; S61-C129 PolarHBondContact OG-SG 2.77Å; S61-S453 PolarHBondContact OG-OG 2.88Å; S61-A454 WeakPolarHBondContact OG-CA 3.41Å; S61-A454 WeakPolarHBondContact OG-CB 3.45Å
62L93.4Very high85.3Confident1 Ų144.9 Ų44.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-88.1146.8176-61.2-178.4000109.6I60 L78 S79 C80 L94 V115 I127 C129 V130 I131I60-L62 HydrophobicContact CD1-CD2 3.83Å; I60-L62 HydrophobicContact CG1-CD2 4.45Å; L62-L78 HydrophobicContact CB-CD1 4.16Å; L62-L78 HydrophobicContact CD1-CD1 4.48Å; L62-S79 CarbonylContact C-O 3.48Å; L62-S79 VanDerWaalsContact CA-O 3.32Å; L62-S79 WeakPolarHBondContact CA-O 3.31Å; L62-C80 HydrophobicContact CD2-CB 3.7Å; L62-L94 HydrophobicContact CD2-CD1 3.95Å; L62-V115 HydrophobicContact CD1-CG2 3.93Å; L62-I127 HydrophobicContact CD1-CD1 3.87Å; L62-I127 HydrophobicContact CD1-CG1 4.17Å; L62-I127 HydrophobicContact CD1-CG2 4.11Å; L62-I127 HydrophobicContact CG-CG2 4.29Å; L62-C129 PolarHBondContact N-O 3.07Å; L62-V130 HydrophobicContact CB-CG1 4.4Å; L62-V130 HydrophobicContact CB-CG2 4.26Å; L62-V130 HydrophobicContact CD1-CG2 4.39Å; L62-V130 CarbonylContact O-C 3.59Å; L62-V130 WeakPolarHBondContact O-CA 3.49Å; L62-I131 PolarHBondContact O-N 2.69Å
63S92.1Very high84.5Confident0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-134.5136167.684.10000111.9L78 S79 I131 V459S63-L78 WeakPolarHBondContact O-CA 3.44Å; S63-S79 PolarHBondContact N-O 3.26Å; S63-S79 PolarHBondContact O-N 2.98Å; S63-S79 PolarHBondContact O-OG 3.45Å; S63-S79 PolarHBondContact OG-OG 3.18Å; S63-I131 CarbonylContact C-O 3.48Å; S63-I131 WeakPolarHBondContact CA-O 3.43Å; S63-V459 WeakPolarHBondContact OG-CB 3.45Å; S63-V459 WeakPolarHBondContact OG-CG2 3.44Å; S63-V459 PolarHBondContact OG-N 3.29Å
64T90.4Very high83.9Confident7 Ų739.4 Ų39.44%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-108.5139.4176.6600000109.7S77 L78 L114 I131 R132 D133 T136T64-S77 WeakPolarHBondContact CA-O 3.47Å; T64-L78 HydrophobicContact CG2-CD1 3.76Å; T64-L114 HydrophobicContact CG2-CD2 3.84Å; T64-I131 PolarHBondContact N-O 3.02Å; T64-R132 WeakPolarHBondContact OG1-CG 3.49Å; T64-D133 PolarHBondContact O-N 3.23Å; T64-T136 PolarHBondContact O-OG1 2.54Å; T64-T136 WeakPolarHBondContact OG1-CB 3.27Å; T64-T136 PolarHBondContact OG1-OG1 3.12Å
65S87Confident83.4Confident4 Ų439.4 Ų39.43%0.02820%0.199CC..EExtended strand (participates in β ladder)trans-146.6148.5168.563.10000112.7S77 D133 V460S65-S77 PolarHBondContact N-O 3.2Å; S65-S77 PolarHBondContact O-N 2.89Å; S65-S77 PolarHBondContact O-OG 2.81Å; S65-S77 PolarHBondContact OG-OG 3.03Å; S65-D133 WeakPolarHBondContact CA-OD2 3.32Å; S65-D133 VanDerWaalsContact CB-OD2 3.27Å; S65-D133 WeakPolarHBondContact CB-OD2 3.45Å; S65-V460 WeakPolarHBondContact OG-CB 3.35Å; S65-V460 WeakPolarHBondContact OG-CG2 3.47Å
66L84.7Confident83.2Confident10 Ų1035.2 Ų35.25%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-125.8118.3179178.473.4000110R68 L75 L76 L99 L107 D133 M135 T136L66-R68 HydrophobicContact CD2-CG 4.13Å; L66-R68 HydrophobicContact CG-CG 4.26Å; L66-L75 WeakPolarHBondContact CA-O 3.5Å; L66-L76 HydrophobicContact CB-CD1 4.36Å; L66-L76 HydrophobicContact CD1-CB 4.08Å; L66-L76 HydrophobicContact CD1-CD1 4.43Å; L66-L99 HydrophobicContact CD1-CD1 3.96Å; L66-L107 HydrophobicContact CD1-CD1 4.03Å; L66-L107 HydrophobicContact CD2-CD1 3.74Å; L66-L107 HydrophobicContact CD2-CD2 3.54Å; L66-L107 HydrophobicContact CD2-CG 4.24Å; L66-D133 PolarHBondContact N-OD2 2.55Å; L66-M135 HydrophobicContact CB-CB 3.82Å; L66-M135 HydrophobicContact CD2-CB 3.95Å; L66-M135 HydrophobicContact CG-CB 4.33Å; L66-T136 HydrophobicContact CB-CG2 3.74Å
67W80.3Confident83Confident64 Ų6430.8 Ų30.824%0.24215%0.153CC..EExtended strand (participates in β ladder)trans-92.9143.4163.4179.584.4000110.6G69 G74 L75 F465 Y472W67-G69 VanDerWaalsContact CH2-CA 3.42Å; W67-G74 CarbonylContact O-C 3.54Å; W67-G74 WeakPolarHBondContact O-CA 3.31Å; W67-L75 PolarHBondContact N-O 2.96Å; W67-L75 PolarHBondContact O-N 3.43Å; W67-F465 HydrophobicContact CB-CB 4.37Å; W67-F465 HydrophobicContact CB-CD1 4.28Å; W67-F465 HydrophobicContact CB-CD2 3.26Å; W67-F465 HydrophobicContact CB-CE1 4.41Å; W67-F465 HydrophobicContact CB-CE2 3.38Å; W67-F465 HydrophobicContact CB-CG 3.71Å; W67-F465 HydrophobicContact CB-CZ 3.94Å; W67-F465 HydrophobicContact CD2-CB 4.11Å; W67-F465 HydrophobicContact CD2-CG 4.35Å; W67-F465 HydrophobicContact CG-CB 3.99Å; W67-F465 AromaticContact CG-CD2 3.69Å; W67-F465 HydrophobicContact CG-CD2 3.69Å; W67-F465 HydrophobicContact CG-CE2 4.3Å; W67-F465 AromaticContact CG-CG 3.89Å; W67-F465 HydrophobicContact CG-CG 3.89Å; W67-Y472 HydrophobicContact CE3-CE2 4.35Å; W67-Y472 HydrophobicContact CH2-CE2 4.37Å; W67-Y472 AromaticContact CZ3-CE2 3.64Å; W67-Y472 HydrophobicContact CZ3-CE2 3.64Å; W67-Y472 AromaticContact CZ3-CZ 3.78Å; W67-Y472 VanDerWaalsContact CZ3-OH 3.29Å; W67-Y472 WeakPolarHBondContact CZ3-OH 3.33Å
68R75.1Confident82.9Confident95 Ų9530.8 Ų30.836%0.35815%0.153SC..EExtended strand (participates in β ladder)trans-122130.9177.3-67.8-176.9-179.8176.87109.4L66 Y101L66-R68 HydrophobicContact CD2-CG 4.13Å; L66-R68 HydrophobicContact CG-CG 4.26Å; R68-Y101 WeakPolarHBondContact CB-OH 3.44Å; R68-Y101 WeakPolarHBondContact CD-OH 3.21Å; R68-Y101 HydrophobicContact CG-CE1 4.06Å; R68-Y101 WeakPolarHBondContact CG-OH 3.13Å
69G69.9Low82.9Confident10 Ų1028 Ų2810%0.10314%0.139CC..  trans-96.6166.4169.100000111.8W67 K71 E73W67-G69 VanDerWaalsContact CH2-CA 3.42Å; G69-K71 PolarHBondContact O-N 3.29Å; G69-E73 PolarHBondContact N-O 3.39Å
70D65.1Low82.8Confident157 Ų15727.4 Ų27.484%0.8413%0.133SC*.THydrogen-bonded Turntrans-68.8-20.2-172.4-59.3-30.7000114.2
71K66.8Low82.7Confident167 Ų16727.4 Ų27.473%0.72613%0.134SC*.THydrogen-bonded Turntrans-105.323.1-173.1-62.8-176.6-179.51780114G69 E73G69-K71 PolarHBondContact O-N 3.29Å; K71-E73 PolarHBondContact O-N 3.34Å
72G65.9Low82.7Confident21 Ų2127.4 Ų27.422%0.21613%0.134CC..SBendtrans805.7-178.200000114.5Y101G72-Y101 WeakPolarHBondContact O-CD1 3.49Å; G72-Y101 WeakPolarHBondContact O-CE1 3.35Å; G72-Y101 PolarHBondContact O-N 3.17Å; G72-Y101 VanDerWaalsContact O-N 3.1Å
73E74.6Confident82.8Confident38 Ų3827.5 Ų27.518%0.17813%0.134CC..EExtended strand (participates in β ladder)trans-76.6141.2171.5-68.4170168.500109.6G69 K71 Y472 Q476G69-E73 PolarHBondContact N-O 3.39Å; K71-E73 PolarHBondContact O-N 3.34Å; E73-Y472 HydrophobicContact CB-CD1 3.99Å; E73-Y472 HydrophobicContact CB-CE1 3.64Å; E73-Y472 HydrophobicContact CG-CD1 3.93Å; E73-Y472 HydrophobicContact CG-CE1 4.08Å; E73-Q476 PolarHBondContact OE1-NE2 3.04Å
74G77.4Confident82.9Confident0 Ų027.7 Ų27.70%014%0.135CC..EExtended strand (participates in β ladder)trans-147.9161.3174.700000111.9W67 L99 Y472W67-G74 CarbonylContact O-C 3.54Å; W67-G74 WeakPolarHBondContact O-CA 3.31Å; G74-L99 PolarHBondContact N-O 3.12Å; G74-L99 PolarHBondContact O-N 3.29Å; G74-Y472 PolarHBondContact O-OH 3.42Å
75L80.4Confident83Confident1 Ų133.8 Ų33.81%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-129.6112.6173.7-83.3158.1000109.7L66 W67 E97 A98 F465 Y472 L488L66-L75 WeakPolarHBondContact CA-O 3.5Å; W67-L75 PolarHBondContact N-O 2.96Å; W67-L75 PolarHBondContact O-N 3.43Å; L75-E97 WeakPolarHBondContact CA-O 3.48Å; L75-A98 HydrophobicContact CD2-CB 4.11Å; L75-F465 HydrophobicContact CB-CD1 3.59Å; L75-F465 HydrophobicContact CB-CE1 3.17Å; L75-F465 HydrophobicContact CB-CZ 3.86Å; L75-F465 HydrophobicContact CD1-CD1 3.33Å; L75-F465 HydrophobicContact CD1-CE1 3.79Å; L75-F465 HydrophobicContact CD1-CG 4.31Å; L75-F465 HydrophobicContact CG-CD1 4.01Å; L75-F465 HydrophobicContact CG-CE1 3.97Å; L75-Y472 HydrophobicContact CD1-CE2 3.64Å; L75-Y472 WeakPolarHBondContact CD1-OH 3.41Å; L75-Y472 HydrophobicContact CG-CE2 4.38Å; L75-Y472 WeakPolarHBondContact CG-OH 3.37Å; L75-L488 HydrophobicContact CD1-CD2 4.35Å; L75-L488 HydrophobicContact CD2-CD1 3.24Å; L75-L488 HydrophobicContact CD2-CD2 4.24Å; L75-L488 HydrophobicContact CD2-CG 4.32Å
76L86.1Confident83.2Confident0 Ų036.6 Ų36.60%017%0.172CC..EExtended strand (participates in β ladder)trans-95.2137.2174.9-178.862.2000109L66 C96 E97 L99 C110 I111 L114 T136L66-L76 HydrophobicContact CB-CD1 4.36Å; L66-L76 HydrophobicContact CD1-CB 4.08Å; L66-L76 HydrophobicContact CD1-CD1 4.43Å; L76-C96 CarbonylContact O-C 3.53Å; L76-C96 WeakPolarHBondContact O-CA 3.32Å; L76-E97 PolarHBondContact N-O 3.25Å; L76-E97 PolarHBondContact O-N 3.43Å; L76-L99 HydrophobicContact CB-CD1 3.66Å; L76-L99 HydrophobicContact CB-CG 4.14Å; L76-L99 HydrophobicContact CD2-CD1 4.29Å; L76-C110 HydrophobicContact CD2-CB 3.88Å; L76-I111 HydrophobicContact CD1-CG1 4.08Å; L76-I111 HydrophobicContact CD2-CG1 4.14Å; L76-L114 HydrophobicContact CD1-CD2 4.25Å; L76-L114 HydrophobicContact CD2-CD1 3.83Å; L76-L114 HydrophobicContact CD2-CD2 4.26Å; L76-L114 HydrophobicContact CG-CD1 4.01Å; L76-L114 HydrophobicContact CG-CD2 4.07Å; L76-T136 HydrophobicContact CD1-CG2 3.79Å
77S87.9Confident83.6Confident0 Ų036.4 Ų36.40%017%0.171CC..EExtended strand (participates in β ladder)trans-136.2146.6-176.457.50000111.3T64 S65 K95 V460T64-S77 WeakPolarHBondContact CA-O 3.47Å; S65-S77 PolarHBondContact N-O 3.2Å; S65-S77 PolarHBondContact O-N 2.89Å; S65-S77 PolarHBondContact O-OG 2.81Å; S65-S77 PolarHBondContact OG-OG 3.03Å; S77-K95 WeakPolarHBondContact CA-O 3.18Å; S77-V460 WeakPolarHBondContact OG-CG2 3.27Å
78L91.1Very high84.1Confident0 Ų037.6 Ų37.60%018%0.179CC..EExtended strand (participates in β ladder)trans-126.5121.5168.3-175.166.4000108L62 S63 T64 L94 K95 L114 V115 L118L62-L78 HydrophobicContact CB-CD1 4.16Å; L62-L78 HydrophobicContact CD1-CD1 4.48Å; S63-L78 WeakPolarHBondContact O-CA 3.44Å; T64-L78 HydrophobicContact CG2-CD1 3.76Å; L78-L94 HydrophobicContact CD2-CB 4.49Å; L78-L94 HydrophobicContact CG-CB 4.49Å; L78-L94 PolarHBondContact O-N 2.48Å; L78-K95 HydrophobicContact CB-CB 4.11Å; L78-K95 PolarHBondContact N-O 3.12Å; L78-K95 PolarHBondContact O-N 3.47Å; L78-L114 HydrophobicContact CB-CD2 3.67Å; L78-L114 HydrophobicContact CB-CG 3.86Å; L78-L114 HydrophobicContact CD1-CD2 4.2Å; L78-L114 HydrophobicContact CD2-CG 4.26Å; L78-L114 HydrophobicContact CG-CD2 4.37Å; L78-L114 HydrophobicContact CG-CG 4.5Å; L78-V115 HydrophobicContact CD1-CG2 4.36Å; L78-V115 HydrophobicContact CD2-CG2 3.91Å; L78-L118 HydrophobicContact CD2-CD1 3.78Å; L78-L118 HydrophobicContact CD2-CD2 3.75Å; L78-L118 HydrophobicContact CD2-CG 4.08Å
79S90.8Very high84.9Confident0 Ų035.5 Ų35.50%018%0.177CC..EExtended strand (participates in β ladder)trans-118.8157.9172.754.60000110L62 S63 L92 V459L62-S79 CarbonylContact C-O 3.48Å; L62-S79 VanDerWaalsContact CA-O 3.32Å; L62-S79 WeakPolarHBondContact CA-O 3.31Å; S63-S79 PolarHBondContact N-O 3.26Å; S63-S79 PolarHBondContact O-N 2.98Å; S63-S79 PolarHBondContact O-OG 3.45Å; S63-S79 PolarHBondContact OG-OG 3.18Å; S79-L92 CarbonylContact C-O 3.56Å; S79-L92 WeakPolarHBondContact CA-O 3.26Å; S79-L92 VanDerWaalsContact CB-O 3.32Å; S79-L92 WeakPolarHBondContact CB-O 3.36Å; S79-V459 WeakPolarHBondContact OG-CB 3.14Å
80C91.5Very high85.8Confident0 Ų036.4 Ų36.40%018%0.179CC..EExtended strand (participates in β ladder)trans-121.5151.8167.371.10000110.7I60 S61 L62 R91 L92 L94I60-C80 HydrophobicContact CB-CB 4.46Å; I60-C80 HydrophobicContact CD1-CB 4.25Å; S61-C80 CarbonylContact O-C 3.48Å; S61-C80 WeakPolarHBondContact O-CA 3.27Å; L62-C80 HydrophobicContact CD2-CB 3.7Å; C80-R91 WeakPolarHBondContact O-CA 3.1Å; C80-L92 PolarHBondContact N-O 3.27Å; C80-L92 PolarHBondContact O-N 2.92Å; C80-L94 HydrophobicContact CB-CD1 3.73Å; C80-L94 HydrophobicContact CB-CG 4.04Å
81S92.6Very high86.9Confident1 Ų129.9 Ų29.91%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-132142.1174.844.80000108.3I60 S61 H90 S453 P455I60-S81 CarbonylContact C-O 3.37Å; I60-S81 VanDerWaalsContact CA-O 3.29Å; I60-S81 WeakPolarHBondContact CA-O 3.36Å; S61-S81 WeakPolarHBondContact CB-OG 3.32Å; S61-S81 PolarHBondContact N-O 3.01Å; S61-S81 PolarHBondContact O-N 3.41Å; S61-S81 PolarHBondContact O-OG 3.31Å; S81-H90 VanDerWaalsContact CA-O 3.29Å; S81-H90 WeakPolarHBondContact CA-O 3.45Å; S81-S453 PolarHBondContact OG-O 3.41Å; S81-P455 WeakPolarHBondContact OG-CD 3.44Å
82G94.1Very high87.9Confident0 Ų022.7 Ų22.70%011%0.112CC..EExtended strand (participates in β ladder)trans-160.8167.3-178.500000110.8H90G82-H90 PolarHBondContact N-O 3.15Å; G82-H90 PolarHBondContact O-N 3.01Å
83I95.1Very high89.1Confident2 Ų221.8 Ų21.81%0.0110%0.102CC..EExtended strand (participates in β ladder)trans-118.9126.8173.6-59.3165.8000107.8F87 Q88 L432 R449 L452I83-F87 HydrophobicContact CG2-CD1 4.44Å; I83-Q88 WeakPolarHBondContact CA-O 3.02Å; I83-L432 HydrophobicContact CD1-CD1 3.98Å; I83-L432 HydrophobicContact CD1-CD2 3.67Å; I83-L432 HydrophobicContact CG1-CD1 4.17Å; I83-L432 HydrophobicContact CG2-CD1 4.35Å; I83-R449 HydrophobicContact CB-CB 4.05Å; I83-R449 HydrophobicContact CB-CG 4.03Å; I83-R449 HydrophobicContact CG2-CB 4.32Å; I83-R449 HydrophobicContact CG2-CG 3.74Å; I83-R449 WeakPolarHBondContact O-CD 3.43Å; I83-L452 HydrophobicContact CD1-CB 3.83Å
84S94.3Very high89.8Confident5 Ų520.4 Ų20.44%0.03510%0.096CC..EExtended strand (participates in β ladder)trans-76167.6176.257.50000111.6D86 F87 Q88 H90 R449S84-D86 VanDerWaalsContact CB-OD1 3.23Å; S84-D86 WeakPolarHBondContact CB-OD1 3.41Å; S84-D86 PolarHBondContact O-N 3.15Å; S84-D86 VanDerWaalsContact O-N 3.12Å; S84-D86 PolarHBondContact OG-OD1 3.46Å; S84-F87 PolarHBondContact O-N 3.23Å; S84-Q88 PolarHBondContact N-O 2.96Å; S84-Q88 WeakPolarHBondContact OG-CB 3.43Å; S84-Q88 PolarHBondContact OG-N 2.85Å; S84-Q88 PolarHBondContact OG-O 3.34Å; S84-Q88 VanDerWaalsContact OG-O 3.09Å; S84-H90 VanDerWaalsContact CB-CE1 3.43Å; S84-H90 WeakPolarHBondContact CB-CE1 3.42Å; S84-H90 PolarHBondContact OG-CE1 3.32Å; S84-H90 VanDerWaalsContact OG-CE1 3.25Å; S84-R449 WeakPolarHBondContact O-CD 3.23Å
85R92.8Very high90.3Very high134 Ų13421.9 Ų21.951%0.50610%0.102SC..THydrogen-bonded Turntrans-60.6-23.7-177.7-65.3-177.6179.1-172.40.4114.4D58 F87D58-R85 IonicContact OD1-CZ 3.25Å; D58-R85 IonicContact OD1-NE 2.71Å; D58-R85 PolarHBondContact OD1-NE 3.41Å; D58-R85 IonicContact OD1-NH2 2.87Å; D58-R85 PolarHBondContact OD1-NH2 3.35Å; D58-R85 VanDerWaalsContact OD1-NH2 3.14Å; D58-R85 IonicContact OD2-NE 2.71Å; R85-F87 VanDerWaalsContact C-N 3.3Å
86D91.3Very high90.6Very high64 Ų6422 Ų2234%0.34210%0.103SC..THydrogen-bonded Turntrans-91.114.8174.866.6-36.2000113.8S84 Q88 L367S84-D86 VanDerWaalsContact CB-OD1 3.23Å; S84-D86 WeakPolarHBondContact CB-OD1 3.41Å; S84-D86 PolarHBondContact O-N 3.15Å; S84-D86 VanDerWaalsContact O-N 3.12Å; S84-D86 PolarHBondContact OG-OD1 3.46Å; D86-Q88 VanDerWaalsContact C-N 3.33Å; D86-Q88 PolarHBondContact O-N 3.22Å; D86-Q88 VanDerWaalsContact OD2-CG 3.32Å; D86-Q88 WeakPolarHBondContact OD2-CG 3.13Å; D86-L367 HydrophobicContact CB-CD2 4.07Å
87F92.6Very high90.4Very high6 Ų624.2 Ų24.23%0.02611%0.113CC..SBendtrans61.736.4178-71.6-93.4000113.6I83 S84 R85 L432 W435 R436 Y445 V448 R449I83-F87 HydrophobicContact CG2-CD1 4.44Å; S84-F87 PolarHBondContact O-N 3.23Å; R85-F87 VanDerWaalsContact C-N 3.3Å; F87-L432 HydrophobicContact CB-CB 4.34Å; F87-L432 HydrophobicContact CD1-CB 4.44Å; F87-L432 HydrophobicContact CD1-CD2 4.35Å; F87-W435 HydrophobicContact CD1-CB 3.93Å; F87-W435 HydrophobicContact CE1-CB 3.46Å; F87-W435 VanDerWaalsContact CE1-CB 3.46Å; F87-W435 HydrophobicContact CE1-CG 4.28Å; F87-W435 HydrophobicContact CZ-CB 3.96Å; F87-R436 HydrophobicContact CB-CB 3.97Å; F87-R436 HydrophobicContact CB-CG 4.43Å; F87-R436 HydrophobicContact CD2-CB 3.92Å; F87-R436 HydrophobicContact CD2-CG 4.28Å; F87-R436 HydrophobicContact CG-CB 4.02Å; F87-Y445 HydrophobicContact CE2-CD1 4.16Å; F87-Y445 AromaticContact CE2-CD2 3.66Å; F87-Y445 HydrophobicContact CE2-CD2 3.66Å; F87-Y445 HydrophobicContact CE2-CE1 4.18Å; F87-Y445 AromaticContact CE2-CE2 3.72Å; F87-Y445 HydrophobicContact CE2-CE2 3.72Å; F87-Y445 AromaticContact CE2-CG 3.88Å; F87-Y445 HydrophobicContact CE2-CG 3.88Å; F87-Y445 AromaticContact CE2-CZ 3.95Å; F87-Y445 AromaticContact CZ-CD1 3.59Å; F87-Y445 HydrophobicContact CZ-CD1 3.59Å; F87-Y445 AromaticContact CZ-CD2 3.88Å; F87-Y445 HydrophobicContact CZ-CD2 3.88Å; F87-Y445 AromaticContact CZ-CE1 3.87Å; F87-Y445 HydrophobicContact CZ-CE1 3.87Å; F87-Y445 HydrophobicContact CZ-CE2 4.16Å; F87-Y445 AromaticContact CZ-CG 3.57Å; F87-Y445 HydrophobicContact CZ-CG 3.57Å; F87-V448 HydrophobicContact CE1-CG1 3.98Å; F87-R449 HydrophobicContact CE1-CG 4.23Å
88Q91.6Very high90Very high89 Ų8924.7 Ų24.742%0.41612%0.118SC..  trans-97.5131168.7-60.3-59.4-50.600109.8I83 S84 D86 H90I83-Q88 WeakPolarHBondContact CA-O 3.02Å; S84-Q88 PolarHBondContact N-O 2.96Å; S84-Q88 WeakPolarHBondContact OG-CB 3.43Å; S84-Q88 PolarHBondContact OG-N 2.85Å; S84-Q88 PolarHBondContact OG-O 3.34Å; S84-Q88 VanDerWaalsContact OG-O 3.09Å; D86-Q88 VanDerWaalsContact C-N 3.33Å; D86-Q88 PolarHBondContact O-N 3.22Å; D86-Q88 VanDerWaalsContact OD2-CG 3.32Å; D86-Q88 WeakPolarHBondContact OD2-CG 3.13Å; Q88-H90 PolarHBondContact O-ND1 2.72Å
89T90.5Very high89.2Confident51 Ų5125.6 Ų25.631%0.31312%0.122SC..EExtended strand (participates in β ladder)trans-74.2131.1173.3-59.60000108.8R91 L432T89-R91 HydrophobicContact CG2-CG 4.37Å; T89-L432 WeakPolarHBondContact OG1-CD1 3.3Å
90H89.7Confident88.4Confident28 Ų2831.2 Ų31.213%0.1315%0.152CC..EExtended strand (participates in β ladder)trans-117.8132175.2-67.671.6000109Q53 L57 S81 G82 S84 Q88Q53-H90 PolarHBondContact OE1-CD2 3.28Å; Q53-H90 PolarHBondContact OE1-NE2 3.34Å; L57-H90 HydrophobicContact CD1-CB 4.35Å; L57-H90 HydrophobicContact CD2-CB 4.17Å; S81-H90 VanDerWaalsContact CA-O 3.29Å; S81-H90 WeakPolarHBondContact CA-O 3.45Å; G82-H90 PolarHBondContact N-O 3.15Å; G82-H90 PolarHBondContact O-N 3.01Å; S84-H90 VanDerWaalsContact CB-CE1 3.43Å; S84-H90 WeakPolarHBondContact CB-CE1 3.42Å; S84-H90 PolarHBondContact OG-CE1 3.32Å; S84-H90 VanDerWaalsContact OG-CE1 3.25Å; Q88-H90 PolarHBondContact O-ND1 2.72Å
91R88.3Confident87.2Confident20 Ų2033.7 Ų33.78%0.07516%0.162CC..EExtended strand (participates in β ladder)trans-129.3122.4174.3-69.6179.7177.3-139.1-1.1110.2C80 T89 P268 T270 F496C80-R91 WeakPolarHBondContact O-CA 3.1Å; T89-R91 HydrophobicContact CG2-CG 4.37Å; R91-P268 PolarHBondContact NE-O 2.93Å; R91-P268 PolarHBondContact NH2-O 2.77Å; R91-T270 PolarHBondContact NH2-O 3.28Å; R91-F496 HydrophobicContact CB-CD1 4.36Å
92L88.6Confident85.8Confident17 Ų1740.9 Ų40.99%0.08920%0.196CC..EExtended strand (participates in β ladder)trans-130.6137.2-173.1-48.9167.9000109.4L50 Q53 V54 S79 C80 L94L50-L92 HydrophobicContact CD2-CB 3.87Å; L50-L92 HydrophobicContact CD2-CD1 4.34Å; L50-L92 HydrophobicContact CD2-CD2 4.14Å; L50-L92 HydrophobicContact CD2-CG 4.34Å; Q53-L92 HydrophobicContact CB-CD1 3.5Å; Q53-L92 VanDerWaalsContact CB-CD1 3.5Å; Q53-L92 HydrophobicContact CB-CD2 4.2Å; Q53-L92 HydrophobicContact CB-CG 4.49Å; Q53-L92 HydrophobicContact CG-CD1 4.5Å; Q53-L92 HydrophobicContact CG-CD2 4.37Å; V54-L92 HydrophobicContact CG2-CD1 4Å; S79-L92 CarbonylContact C-O 3.56Å; S79-L92 WeakPolarHBondContact CA-O 3.26Å; S79-L92 VanDerWaalsContact CB-O 3.32Å; S79-L92 WeakPolarHBondContact CB-O 3.36Å; C80-L92 PolarHBondContact N-O 3.27Å; C80-L92 PolarHBondContact O-N 2.92Å; L92-L94 HydrophobicContact CB-CD2 4.46Å
93M89.3Confident84.6Confident1 Ų143.1 Ų43.11%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-82.5115164.9-166.365.165.400107.7V460 L464 L489 A492 N493 F496M93-V460 HydrophobicContact CE-CG2 3.45Å; M93-V460 VanDerWaalsContact CE-CG2 3.45Å; M93-V460 HydrophobicContact SD-CG2 4.28Å; M93-L464 HydrophobicContact CE-CD2 4.28Å; M93-L489 HydrophobicContact CB-CD1 4.02Å; M93-L489 HydrophobicContact CG-CD1 3.75Å; M93-L489 WeakPolarHBondContact O-CD1 3.42Å; M93-A492 HydrophobicContact CB-CB 3.67Å; M93-A492 HydrophobicContact CE-CB 4.02Å; M93-A492 HydrophobicContact CG-CB 3.75Å; M93-N493 PolarHBondContact N-OD1 2.99Å; M93-N493 PolarHBondContact O-ND2 2.94Å; M93-N493 PolarHBondContact O-OD1 3.35Å; M93-F496 HydrophobicContact CB-CE2 4.25Å; M93-F496 HydrophobicContact CE-CE2 4.08Å; M93-F496 HydrophobicContact CE-CZ 4.41Å
94L90Very high83.6Confident9 Ų948.3 Ų48.35%0.04724%0.243CC..EExtended strand (participates in β ladder)trans-85.9-35.1179.2-62.6-175.5000111.6V54 L62 L78 C80 L92 L118 V122V54-L94 HydrophobicContact CG2-CD2 4Å; L62-L94 HydrophobicContact CD2-CD1 3.95Å; L78-L94 HydrophobicContact CD2-CB 4.49Å; L78-L94 HydrophobicContact CG-CB 4.49Å; L78-L94 PolarHBondContact O-N 2.48Å; C80-L94 HydrophobicContact CB-CD1 3.73Å; C80-L94 HydrophobicContact CB-CG 4.04Å; L92-L94 HydrophobicContact CB-CD2 4.46Å; L94-L118 HydrophobicContact CB-CD2 3.99Å; L94-L118 HydrophobicContact CD1-CD1 4.3Å; L94-V122 HydrophobicContact CD1-CG2 4.32Å
95K88.4Confident82.9Confident31 Ų3151.5 Ų51.514%0.13527%0.265CS..EExtended strand (participates in β ladder)trans-153.8142.9-178.8-170.4161.6177.3176.40111.4S77 L78 E97 L114 S117 L118S77-K95 WeakPolarHBondContact CA-O 3.18Å; L78-K95 HydrophobicContact CB-CB 4.11Å; L78-K95 PolarHBondContact N-O 3.12Å; L78-K95 PolarHBondContact O-N 3.47Å; K95-E97 VanDerWaalsContact CE-CG 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.23Å; K95-E97 HydrophobicContact CG-CG 4.26Å; K95-E97 IonicContact NZ-OE1 3.79Å; K95-E97 PolarHBondContact NZ-OE1 3.13Å; K95-L114 HydrophobicContact CD-CD1 4.04Å; K95-L114 HydrophobicContact CG-CD1 4.29Å; K95-S117 PolarHBondContact NZ-O 3.1Å; K95-S117 PolarHBondContact NZ-OG 3.29Å; K95-L118 HydrophobicContact CB-CD2 3.66Å; K95-L118 HydrophobicContact CD-CD2 3.96Å; K95-L118 HydrophobicContact CG-CD2 4.43Å
96C86.1Confident82.2Confident5 Ų550.1 Ų50.13%0.03426%0.263CS..EExtended strand (participates in β ladder)trans-140.6124.4170.1-170.10000107.9L76 S485 L488L76-C96 CarbonylContact O-C 3.53Å; L76-C96 WeakPolarHBondContact O-CA 3.32Å; C96-S485 WeakPolarHBondContact O-CB 3.18Å; C96-L488 HydrophobicContact CB-CB 4.07Å
97E81.9Confident81.7Confident45 Ų4547.5 Ų47.521%0.2125%0.249CC..EExtended strand (participates in β ladder)trans-118.2123.1-179.6-69-170.7157.500110L75 L76 K95 L99L75-E97 WeakPolarHBondContact CA-O 3.48Å; L76-E97 PolarHBondContact N-O 3.25Å; L76-E97 PolarHBondContact O-N 3.43Å; K95-E97 VanDerWaalsContact CE-CG 3.48Å; K95-E97 WeakPolarHBondContact CE-OE1 3.23Å; K95-E97 HydrophobicContact CG-CG 4.26Å; K95-E97 IonicContact NZ-OE1 3.79Å; K95-E97 PolarHBondContact NZ-OE1 3.13Å; E97-L99 HydrophobicContact CB-CD2 4.19Å; E97-L99 PolarHBondContact O-N 3.2Å
98A78.8Confident81.2Confident11 Ų1149.8 Ų49.89%0.09127%0.269CS..EExtended strand (participates in β ladder)trans-74.6116.3165.500000108.8L75 M475 A484 S485 L488L75-A98 HydrophobicContact CD2-CB 4.11Å; A98-M475 HydrophobicContact CB-CE 4Å; A98-M475 HydrophobicContact CB-SD 3.75Å; A98-A484 HydrophobicContact CB-CB 4.45Å; A98-S485 PolarHBondContact N-OG 3.33Å; A98-L488 HydrophobicContact CB-CD1 4.35Å
99L75.8Confident80.8Confident19 Ų1947.9 Ų47.910%0.09927%0.265CS..EExtended strand (participates in β ladder)trans-102.2140.9179.9-59.7-177.6000110.3L66 G74 L76 E97 Y101 L107 C110L66-L99 HydrophobicContact CD1-CD1 3.96Å; G74-L99 PolarHBondContact N-O 3.12Å; G74-L99 PolarHBondContact O-N 3.29Å; L76-L99 HydrophobicContact CB-CD1 3.66Å; L76-L99 HydrophobicContact CB-CG 4.14Å; L76-L99 HydrophobicContact CD2-CD1 4.29Å; E97-L99 HydrophobicContact CB-CD2 4.19Å; E97-L99 PolarHBondContact O-N 3.2Å; L99-Y101 HydrophobicContact CB-CD1 4.45Å; L99-L107 HydrophobicContact CD1-CD1 3.61Å; L99-C110 HydrophobicContact CD2-CB 4.5Å
100N73Confident80.5Confident118 Ų11847.2 Ų47.263%0.63126%0.262SS*.EExtended strand (participates in β ladder)trans-116.891.2158.4-170.6-9.9000105.9E102N100-E102 PolarHBondContact O-N 2.84Å
101Y65.8Low80.3Confident52 Ų5247.6 Ų47.620%0.20426%0.264CS..  trans-89.898.5-169.760.5-89.3000109.8R68 G72 L99 S103R68-Y101 WeakPolarHBondContact CB-OH 3.44Å; R68-Y101 WeakPolarHBondContact CD-OH 3.21Å; R68-Y101 HydrophobicContact CG-CE1 4.06Å; R68-Y101 WeakPolarHBondContact CG-OH 3.13Å; G72-Y101 WeakPolarHBondContact O-CD1 3.49Å; G72-Y101 WeakPolarHBondContact O-CE1 3.35Å; G72-Y101 PolarHBondContact O-N 3.17Å; G72-Y101 VanDerWaalsContact O-N 3.1Å; L99-Y101 HydrophobicContact CB-CD1 4.45Å; Y101-S103 PolarHBondContact O-N 3.25Å
102E63.7Low80.1Confident152 Ų15253.6 Ų53.671%0.7129%0.287SS*.SBendtrans-72.4-18.2171.6-62170.4158.500112.1N100 K106N100-E102 PolarHBondContact O-N 2.84Å; E102-K106 IonicContact OE2-NZ 3.85Å; E102-K106 PolarHBondContact OE2-NZ 3.47Å
103S69.6Low80Confident46 Ų4655.9 Ų55.932%0.32230%0.299SS..  trans-151.2143.3-175.6-173.70000113.2Y101 S105 K106 L107Y101-S103 PolarHBondContact O-N 3.25Å; S103-S105 PolarHBondContact O-N 2.94Å; S103-S105 PolarHBondContact OG-N 2.99Å; S103-S105 PolarHBondContact OG-OG 3.09Å; S103-S105 VanDerWaalsContact OG-OG 3.04Å; S103-K106 PolarHBondContact O-N 2.7Å; S103-L107 PolarHBondContact O-N 3.04Å
104T74.4Confident79.9Confident111 Ų11155.9 Ų55.968%0.68130%0.299SS*.Hα-helixtrans-61.9-29.217550.40000113.1L107 A108T104-L107 PolarHBondContact O-N 3.38Å; T104-A108 PolarHBondContact O-N 3.41Å
105S78.3Confident79.7Confident72 Ų7257.9 Ų57.950%0.50331%0.312SS..Hα-helixtrans-68.5-40.9177.562.10000112.1S103 L107 A108 C109S103-S105 PolarHBondContact O-N 2.94Å; S103-S105 PolarHBondContact OG-N 2.99Å; S103-S105 PolarHBondContact OG-OG 3.09Å; S103-S105 VanDerWaalsContact OG-OG 3.04Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.2Å; S105-A108 PolarHBondContact O-N 2.7Å; S105-C109 PolarHBondContact O-N 3.41Å; S105-C109 VanDerWaalsContact O-N 3.1Å; S105-C109 PolarHBondContact O-SG 2.94Å
106K78.6Confident79.7Confident106 Ų10661.4 Ų61.446%0.46134%0.338SS..Hα-helixtrans-60.7-44.7174.1-69.5-177.8179.3179.10110.5E102 S103 A108 C109 C110E102-K106 IonicContact OE2-NZ 3.85Å; E102-K106 PolarHBondContact OE2-NZ 3.47Å; S103-K106 PolarHBondContact O-N 2.7Å; K106-A108 PolarHBondContact O-N 3.37Å; K106-C109 WeakPolarHBondContact O-CB 3.35Å; K106-C109 PolarHBondContact O-N 2.88Å; K106-C110 PolarHBondContact O-N 2.83Å; K106-C110 PolarHBondContact O-SG 3.2Å
107L80.4Confident79.7Confident9 Ų963.9 Ų63.95%0.04736%0.355CS..Hα-helixtrans-60.4-44.7177.2176.363.8000112.3L66 L99 S103 T104 S105 C109 C110 I111L66-L107 HydrophobicContact CD1-CD1 4.03Å; L66-L107 HydrophobicContact CD2-CD1 3.74Å; L66-L107 HydrophobicContact CD2-CD2 3.54Å; L66-L107 HydrophobicContact CD2-CG 4.24Å; L99-L107 HydrophobicContact CD1-CD1 3.61Å; S103-L107 PolarHBondContact O-N 3.04Å; T104-L107 PolarHBondContact O-N 3.38Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.2Å; L107-C109 VanDerWaalsContact C-N 3.28Å; L107-C109 PolarHBondContact O-N 3.21Å; L107-C110 WeakPolarHBondContact O-CB 3.42Å; L107-C110 PolarHBondContact O-N 2.9Å; L107-C110 VanDerWaalsContact O-N 3.16Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.27Å; L107-I111 HydrophobicContact CG-CD1 3.89Å; L107-I111 WeakPolarHBondContact O-CG1 3.4Å; L107-I111 PolarHBondContact O-N 2.66Å
108A81.6Confident79.9Confident53 Ų5363 Ų6344%0.43835%0.352SS..Hα-helixtrans-60.9-38177.100000112.1T104 S105 K106 R112T104-A108 PolarHBondContact O-N 3.41Å; S105-A108 PolarHBondContact O-N 2.7Å; K106-A108 PolarHBondContact O-N 3.37Å; A108-R112 WeakPolarHBondContact O-CB 3.45Å; A108-R112 PolarHBondContact O-N 3.14Å; A108-R112 VanDerWaalsContact O-N 3.1Å
109C84.2Confident80.1Confident49 Ų4966.3 Ų66.333%0.33138%0.379SS..Hα-helixtrans-63.6-48.1171.7-69.40000111.9S105 K106 L107 I111 R112 D113S105-C109 PolarHBondContact O-N 3.41Å; S105-C109 VanDerWaalsContact O-N 3.1Å; S105-C109 PolarHBondContact O-SG 2.94Å; K106-C109 WeakPolarHBondContact O-CB 3.35Å; K106-C109 PolarHBondContact O-N 2.88Å; L107-C109 VanDerWaalsContact C-N 3.28Å; L107-C109 PolarHBondContact O-N 3.21Å; C109-I111 VanDerWaalsContact C-N 3.31Å; C109-I111 PolarHBondContact O-N 3.17Å; C109-R112 PolarHBondContact O-N 3.04Å; C109-R112 PolarHBondContact SG-NH1 3.46Å; C109-R112 PolarHBondContact SG-NH2 2.9Å; C109-D113 WeakPolarHBondContact O-CB 2.79Å; C109-D113 PolarHBondContact O-N 3Å
110C84.4Confident80.5Confident38 Ų3866.1 Ų66.126%0.25738%0.378SS..Hα-helixtrans-56.6-43.1177.3-66.50000112.3L76 L99 K106 L107 D113 L114L76-C110 HydrophobicContact CD2-CB 3.88Å; L99-C110 HydrophobicContact CD2-CB 4.5Å; K106-C110 PolarHBondContact O-N 2.83Å; K106-C110 PolarHBondContact O-SG 3.2Å; L107-C110 WeakPolarHBondContact O-CB 3.42Å; L107-C110 PolarHBondContact O-N 2.9Å; L107-C110 VanDerWaalsContact O-N 3.16Å; C110-D113 PolarHBondContact O-N 2.87Å; C110-L114 WeakPolarHBondContact O-CB 3.37Å; C110-L114 PolarHBondContact O-N 2.82Å
111I84.8Confident81Confident35 Ų3568.2 Ų68.218%0.17938%0.384CS..Hα-helixtrans-64.1-45.7177.9-66.5160.8000111.1L76 L107 C109 D113 L114 T136L76-I111 HydrophobicContact CD1-CG1 4.08Å; L76-I111 HydrophobicContact CD2-CG1 4.14Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.27Å; L107-I111 HydrophobicContact CG-CD1 3.89Å; L107-I111 WeakPolarHBondContact O-CG1 3.4Å; L107-I111 PolarHBondContact O-N 2.66Å; C109-I111 VanDerWaalsContact C-N 3.31Å; C109-I111 PolarHBondContact O-N 3.17Å; I111-D113 VanDerWaalsContact C-N 3.33Å; I111-D113 PolarHBondContact O-N 2.83Å; I111-L114 WeakPolarHBondContact O-CB 3.34Å; I111-L114 PolarHBondContact O-N 2.88Å; I111-T136 HydrophobicContact CD1-CG2 4.17Å; I111-T136 HydrophobicContact CG1-CG2 4.22Å
112R84.8Confident82Confident146 Ų14666.7 Ų66.755%0.55138%0.38SS*.Hα-helixtrans-63.6-41.1178.9-179.3-167.661.4-115.5-7.9111.7A108 C109 L114A108-R112 WeakPolarHBondContact O-CB 3.45Å; A108-R112 PolarHBondContact O-N 3.14Å; A108-R112 VanDerWaalsContact O-N 3.1Å; C109-R112 PolarHBondContact O-N 3.04Å; C109-R112 PolarHBondContact SG-NH1 3.46Å; C109-R112 PolarHBondContact SG-NH2 2.9Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.15Å
113D87.1Confident83Confident65 Ų6561.6 Ų61.635%0.34836%0.36SS..Hα-helixtrans-86.6-1.4-173-57.6-22.2000111.8C109 C110 I111 V115 P116 S117C109-D113 WeakPolarHBondContact O-CB 2.79Å; C109-D113 PolarHBondContact O-N 3Å; C110-D113 PolarHBondContact O-N 2.87Å; I111-D113 VanDerWaalsContact C-N 3.33Å; I111-D113 PolarHBondContact O-N 2.83Å; D113-V115 PolarHBondContact O-N 3.47Å; D113-P116 WeakPolarHBondContact O-CD 3.33Å; D113-S117 WeakPolarHBondContact O-CB 3.43Å; D113-S117 PolarHBondContact O-N 3.48Å; D113-S117 PolarHBondContact O-OG 3.28Å
114L86.4Confident83.8Confident1 Ų167.7 Ų67.71%0.00538%0.381CS..THydrogen-bonded Turntrans-60.7-43.1-175.2-162.665.1000113.9T64 L76 L78 K95 C110 I111 R112 S117T64-L114 HydrophobicContact CG2-CD2 3.84Å; L76-L114 HydrophobicContact CD1-CD2 4.25Å; L76-L114 HydrophobicContact CD2-CD1 3.83Å; L76-L114 HydrophobicContact CD2-CD2 4.26Å; L76-L114 HydrophobicContact CG-CD1 4.01Å; L76-L114 HydrophobicContact CG-CD2 4.07Å; L78-L114 HydrophobicContact CB-CD2 3.67Å; L78-L114 HydrophobicContact CB-CG 3.86Å; L78-L114 HydrophobicContact CD1-CD2 4.2Å; L78-L114 HydrophobicContact CD2-CG 4.26Å; L78-L114 HydrophobicContact CG-CD2 4.37Å; L78-L114 HydrophobicContact CG-CG 4.5Å; K95-L114 HydrophobicContact CD-CD1 4.04Å; K95-L114 HydrophobicContact CG-CD1 4.29Å; C110-L114 WeakPolarHBondContact O-CB 3.37Å; C110-L114 PolarHBondContact O-N 2.82Å; I111-L114 WeakPolarHBondContact O-CB 3.34Å; I111-L114 PolarHBondContact O-N 2.88Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.15Å; L114-S117 PolarHBondContact O-OG 3.39Å
115V86.5Confident84.5Confident52 Ų5270.3 Ų70.332%0.31539%0.386SS..THydrogen-bonded Turntrans-76.8-47.5176.4177.60000111.5L62 L78 D113 S117 L118L62-V115 HydrophobicContact CD1-CG2 3.93Å; L78-V115 HydrophobicContact CD1-CG2 4.36Å; L78-V115 HydrophobicContact CD2-CG2 3.91Å; D113-V115 PolarHBondContact O-N 3.47Å; V115-S117 PolarHBondContact O-N 2.95Å; V115-L118 HydrophobicContact CG1-CD1 4.41Å; V115-L118 WeakPolarHBondContact O-CG 3.34Å; V115-L118 PolarHBondContact O-N 3.13Å
116P86.8Confident85.1Confident105 Ų10569 Ų6968%0.68237%0.371SS*.THydrogen-bonded Turntrans-58.6-28.6175.5-27.434.4000115.2D113D113-P116 WeakPolarHBondContact O-CD 3.33Å
117S86.4Confident85.8Confident56 Ų5666.1 Ų66.139%0.39236%0.36SS..THydrogen-bonded Turntrans-93.815.7-176.362.30000114.2K95 D113 L114 V115K95-S117 PolarHBondContact NZ-O 3.1Å; K95-S117 PolarHBondContact NZ-OG 3.29Å; D113-S117 WeakPolarHBondContact O-CB 3.43Å; D113-S117 PolarHBondContact O-N 3.48Å; D113-S117 PolarHBondContact O-OG 3.28Å; L114-S117 PolarHBondContact O-OG 3.39Å; V115-S117 PolarHBondContact O-N 2.95Å
118L86.2Confident86.4Confident27 Ų2767 Ų6714%0.14136%0.364CS..  trans-70.4141.2174-69.9173.2000111L78 L94 K95 V115 I120 V122L78-L118 HydrophobicContact CD2-CD1 3.78Å; L78-L118 HydrophobicContact CD2-CD2 3.75Å; L78-L118 HydrophobicContact CD2-CG 4.08Å; L94-L118 HydrophobicContact CB-CD2 3.99Å; L94-L118 HydrophobicContact CD1-CD1 4.3Å; K95-L118 HydrophobicContact CB-CD2 3.66Å; K95-L118 HydrophobicContact CD-CD2 3.96Å; K95-L118 HydrophobicContact CG-CD2 4.43Å; V115-L118 HydrophobicContact CG1-CD1 4.41Å; V115-L118 WeakPolarHBondContact O-CG 3.34Å; V115-L118 PolarHBondContact O-N 3.13Å; L118-I120 WeakPolarHBondContact CB-O 3.35Å; L118-I120 PolarHBondContact O-N 2.92Å; L118-V122 HydrophobicContact CD1-CG2 3.91Å
119A83.3Confident87Confident81 Ų8165.9 Ų65.967%0.66935%0.352SS*.SBendtrans-72.5-15.9171.100000112.9
120I84.9Confident87.4Confident15 Ų1565.5 Ų65.58%0.07735%0.348CS..SBendtrans-111.4129.7-179.4-56.2167000107.4L50 K51 L118 V122L50-I120 HydrophobicContact CB-CD1 3.35Å; L50-I120 HydrophobicContact CD1-CD1 4.14Å; L50-I120 HydrophobicContact CG-CD1 4.4Å; K51-I120 HydrophobicContact CB-CG2 3.93Å; K51-I120 HydrophobicContact CG-CG2 4.08Å; L118-I120 WeakPolarHBondContact CB-O 3.35Å; L118-I120 PolarHBondContact O-N 2.92Å; I120-V122 PolarHBondContact O-N 3.26Å
121E83.9Confident87.7Confident162 Ų16264.2 Ų64.276%0.75734%0.339SS*.  trans-71120175-169.9172.9-169.200109.6
122V85.4Confident88Confident19 Ų1965.9 Ų65.912%0.11534%0.343CS..  trans-110.8107.9175.2176.20000107.2I60 L94 L118 I120 K124 I127I60-V122 HydrophobicContact CD1-CG1 3.44Å; I60-V122 VanDerWaalsContact CD1-CG1 3.44Å; L94-V122 HydrophobicContact CD1-CG2 4.32Å; L118-V122 HydrophobicContact CD1-CG2 3.91Å; I120-V122 PolarHBondContact O-N 3.26Å; V122-K124 PolarHBondContact O-N 2.83Å; V122-I127 HydrophobicContact CG1-CD1 4.11Å; V122-I127 HydrophobicContact CG1-CG1 3.92Å
123P85.8Confident88.3Confident46 Ų4659.1 Ų59.130%0.29932%0.318SS..  trans-57.6133.2177.8-23.332.8000110.5E125 K126P123-E125 WeakPolarHBondContact CB-OE2 3.42Å; P123-E125 PolarHBondContact O-N 2.99Å; P123-K126 HydrophobicContact CB-CG 4.23Å; P123-K126 HydrophobicContact CG-CD 4.32Å; P123-K126 HydrophobicContact CG-CG 4.4Å; P123-K126 PolarHBondContact O-N 3.07Å; P123-K126 VanDerWaalsContact O-N 3.07Å
124K86.4Confident88.3Confident173 Ų17358.7 Ų58.775%0.75231%0.314SS*.G310 helixtrans-62.1-30.2-177.9-70.4-177.9179.9176.70111.5V122 K126 I127V122-K124 PolarHBondContact O-N 2.83Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.4Å; K124-I127 PolarHBondContact O-N 2.96Å; K124-I127 VanDerWaalsContact O-N 3.14Å
125E88.3Confident88.2Confident167 Ų16762.1 Ų62.178%0.7833%0.33SS*.G310 helixtrans-67.9-26179.8-5571.8-153.300112.1P123P123-E125 WeakPolarHBondContact CB-OE2 3.42Å; P123-E125 PolarHBondContact O-N 2.99Å
126K91Very high88.3Confident45 Ų4559.7 Ų59.720%0.19632%0.316CS..G310 helixtrans-78.5-20.5174.2-72.1-165.1174-163.70112.5V54 D55 L57 A59 I60 P123 K124 H128V54-K126 PolarHBondContact O-NZ 3.26Å; D55-K126 PolarHBondContact O-NZ 2.92Å; L57-K126 WeakPolarHBondContact O-CE 3.17Å; L57-K126 PolarHBondContact O-NZ 3.22Å; A59-K126 CarbonylContact C-O 3.55Å; A59-K126 WeakPolarHBondContact CA-O 3.49Å; I60-K126 PolarHBondContact N-O 3.14Å; P123-K126 HydrophobicContact CB-CG 4.23Å; P123-K126 HydrophobicContact CG-CD 4.32Å; P123-K126 HydrophobicContact CG-CG 4.4Å; P123-K126 PolarHBondContact O-N 3.07Å; P123-K126 VanDerWaalsContact O-N 3.07Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.4Å; K126-H128 PolarHBondContact O-N 3.22Å; K126-H128 VanDerWaalsContact O-N 3.17Å
127I93.2Very high88.3Confident44 Ų4455.7 Ų55.723%0.22629%0.291CS..EExtended strand (participates in β ladder)trans-75.7108.5-176.4-57.9173.3000109I60 L62 V122 K124 V130I60-I127 HydrophobicContact CG1-CG1 4.46Å; L62-I127 HydrophobicContact CD1-CD1 3.87Å; L62-I127 HydrophobicContact CD1-CG1 4.17Å; L62-I127 HydrophobicContact CD1-CG2 4.11Å; L62-I127 HydrophobicContact CG-CG2 4.29Å; V122-I127 HydrophobicContact CG1-CD1 4.11Å; V122-I127 HydrophobicContact CG1-CG1 3.92Å; K124-I127 PolarHBondContact O-N 2.96Å; K124-I127 VanDerWaalsContact O-N 3.14Å; I127-V130 HydrophobicContact CG2-CG2 4.14Å
128H94.1Very high88.2Confident28 Ų2858.2 Ų58.213%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-76-51.2176.4173.535.6000111.9I60 K126 N322 K450 F451I60-H128 WeakPolarHBondContact O-CB 3.32Å; I60-H128 PolarHBondContact O-N 3.22Å; K126-H128 PolarHBondContact O-N 3.22Å; K126-H128 VanDerWaalsContact O-N 3.17Å; H128-N322 PolarHBondContact CE1-OD1 3.06Å; H128-K450 HydrophobicContact CB-CG 4.17Å; H128-K450 PolarHBondContact CD2-O 2.92Å; H128-F451 AromaticContact CE1-CD1 3.55Å; H128-F451 AromaticContact CE1-CE1 3.58Å; H128-F451 AromaticContact NE2-CD1 3.68Å
129C92.8Very high87.9Confident29 Ų2963.2 Ų63.220%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-155.4165.7179.6670000111.5S61 L62S61-C129 PolarHBondContact OG-SG 2.77Å; L62-C129 PolarHBondContact N-O 3.07Å
130V92.1Very high87.8Confident41 Ų4164 Ų6425%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-126.2118.6175.3-175.30000108.3L62 I127 R132L62-V130 HydrophobicContact CB-CG1 4.4Å; L62-V130 HydrophobicContact CB-CG2 4.26Å; L62-V130 HydrophobicContact CD1-CG2 4.39Å; L62-V130 CarbonylContact O-C 3.59Å; L62-V130 WeakPolarHBondContact O-CA 3.49Å; I127-V130 HydrophobicContact CG2-CG2 4.14Å; V130-R132 HydrophobicContact CG1-CG 4.21Å
131I92.1Very high87.9Confident11 Ų1166.1 Ų66.16%0.05637%0.366CS..EExtended strand (participates in β ladder)trans-101.9114.2-178-61.3157.3000109.1L62 S63 T64 D144 C145 P455L62-I131 PolarHBondContact O-N 2.69Å; S63-I131 CarbonylContact C-O 3.48Å; S63-I131 WeakPolarHBondContact CA-O 3.43Å; T64-I131 PolarHBondContact N-O 3.02Å; I131-D144 HydrophobicContact CB-CB 4.46Å; I131-D144 HydrophobicContact CG2-CB 4.21Å; I131-C145 HydrophobicContact CG2-CB 4.1Å; I131-P455 VanDerWaalsContact CD1-CD 3.46Å; I131-P455 HydrophobicContact CD1-CG 3.58Å; I131-P455 WeakPolarHBondContact CD1-O 3.49Å
132R91.3Very high88.1Confident71 Ų7161.8 Ų61.827%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-105.3139.4179-51.5-171.1-170.880.6-3.7111.7T64 V130 T136 P143 D144 C145T64-R132 WeakPolarHBondContact OG1-CG 3.49Å; V130-R132 HydrophobicContact CG1-CG 4.21Å; R132-T136 WeakPolarHBondContact CD-O 3.46Å; R132-P143 CarbonylContact O-C 3.38Å; R132-P143 WeakPolarHBondContact O-CB 3.32Å; R132-D144 WeakPolarHBondContact CB-OD2 3.24Å; R132-D144 WeakPolarHBondContact CG-OD2 3.36Å; R132-D144 PolarHBondContact N-OD2 2.78Å; R132-D144 IonicContact NH1-OD2 3.87Å; R132-D144 PolarHBondContact NH1-OD2 3.23Å; R132-D144 PolarHBondContact O-N 3.38Å; R132-C145 WeakPolarHBondContact O-CB 3.41Å; R132-C145 PolarHBondContact O-N 2.68Å
133D89.4Confident88.3Confident4 Ų461 Ų612%0.02134%0.343CS..  trans-75.1179.1167.668.84.1000112.2T64 S65 L66 M135 T136 A137 P143 H148T64-D133 PolarHBondContact O-N 3.23Å; S65-D133 WeakPolarHBondContact CA-OD2 3.32Å; S65-D133 VanDerWaalsContact CB-OD2 3.27Å; S65-D133 WeakPolarHBondContact CB-OD2 3.45Å; L66-D133 PolarHBondContact N-OD2 2.55Å; D133-M135 PolarHBondContact O-N 2.72Å; D133-M135 PolarHBondContact OD1-N 3.13Å; D133-M135 VanDerWaalsContact OD1-N 3.13Å; D133-T136 PolarHBondContact N-OG1 3.41Å; D133-T136 PolarHBondContact O-N 3.27Å; D133-T136 VanDerWaalsContact OD1-CB 3.27Å; D133-T136 WeakPolarHBondContact OD1-CB 3.26Å; D133-T136 WeakPolarHBondContact OD1-CG2 3.48Å; D133-T136 PolarHBondContact OD1-N 3.38Å; D133-T136 PolarHBondContact OD1-OG1 3.38Å; D133-A137 WeakPolarHBondContact O-CB 3.16Å; D133-A137 PolarHBondContact O-N 3.23Å; D133-P143 VanDerWaalsContact C-CB 3.49Å; D133-H148 WeakPolarHBondContact CB-CE1 3.1Å; D133-H148 WeakPolarHBondContact CB-ND1 3.17Å
134E87.5Confident88.6Confident56 Ų5661.4 Ų61.426%0.26234%0.343SS..THydrogen-bonded Turntrans-56.5-35.8178.8-175.3179.2-179.200112.2P143 H148 M152 R155E134-P143 HydrophobicContact CB-CG 4.48Å; E134-H148 HydrophobicContact CB-CB 4.36Å; E134-M152 HydrophobicContact CG-SD 4.22Å; E134-R155 IonicContact OE1-CZ 4Å; E134-R155 VanDerWaalsContact OE1-CZ 3.31Å; E134-R155 IonicContact OE1-NH1 3.31Å; E134-R155 PolarHBondContact OE1-NH1 3.44Å; E134-R155 IonicContact OE1-NH2 2.76Å; E134-R155 PolarHBondContact OE1-NH2 3.06Å; E134-R155 IonicContact OE2-CZ 2.92Å; E134-R155 IonicContact OE2-NH1 3.11Å; E134-R155 PolarHBondContact OE2-NH1 3.46Å; E134-R155 IonicContact OE2-NH2 3.77Å
135M85.1Confident88.9Confident72 Ų7253.2 Ų53.236%0.35531%0.307SS..THydrogen-bonded Turntrans-84.3-21.3-172.1-65.1-64.3174.300113.6L66 D133L66-M135 HydrophobicContact CB-CB 3.82Å; L66-M135 HydrophobicContact CD2-CB 3.95Å; L66-M135 HydrophobicContact CG-CB 4.33Å; D133-M135 PolarHBondContact O-N 2.72Å; D133-M135 PolarHBondContact OD1-N 3.13Å; D133-M135 VanDerWaalsContact OD1-N 3.13Å
136T87.6Confident89.3Confident2 Ų245.3 Ų45.31%0.01227%0.271CS..THydrogen-bonded Turntrans-107.4-7.7-179.958.10000113.4T64 L66 L76 I111 R132 D133T64-T136 PolarHBondContact O-OG1 2.54Å; T64-T136 WeakPolarHBondContact OG1-CB 3.27Å; T64-T136 PolarHBondContact OG1-OG1 3.12Å; L66-T136 HydrophobicContact CB-CG2 3.74Å; L76-T136 HydrophobicContact CD1-CG2 3.79Å; I111-T136 HydrophobicContact CD1-CG2 4.17Å; I111-T136 HydrophobicContact CG1-CG2 4.22Å; R132-T136 WeakPolarHBondContact CD-O 3.46Å; D133-T136 PolarHBondContact N-OG1 3.41Å; D133-T136 PolarHBondContact O-N 3.27Å; D133-T136 VanDerWaalsContact OD1-CB 3.27Å; D133-T136 WeakPolarHBondContact OD1-CB 3.26Å; D133-T136 WeakPolarHBondContact OD1-CG2 3.48Å; D133-T136 PolarHBondContact OD1-N 3.38Å; D133-T136 PolarHBondContact OD1-OG1 3.38Å
137A87.4Confident89.4Confident20 Ų2043.6 Ų43.617%0.16526%0.264CS..SBendtrans-59153.7172.800000112.2D133 P143D133-A137 WeakPolarHBondContact O-CB 3.16Å; D133-A137 PolarHBondContact O-N 3.23Å; A137-P143 HydrophobicContact CB-CB 4.34Å
138L84.1Confident89.4Confident109 Ų10943.3 Ų43.357%0.57126%0.261SS*.PPolyproline II helixtrans-66.9144176.1-67.5169.6000110G140 S141L138-G140 PolarHBondContact O-N 3.19Å; L138-S141 WeakPolarHBondContact CA-OG 3.44Å; L138-S141 WeakPolarHBondContact CB-OG 3.29Å; L138-S141 PolarHBondContact N-OG 3.19Å; L138-S141 WeakPolarHBondContact O-CB 3.24Å; L138-S141 PolarHBondContact O-N 2.91Å; L138-S141 PolarHBondContact O-OG 2.8Å
139P81Confident89.4Confident133 Ų13342.4 Ų42.486%0.86426%0.257SS*.THydrogen-bonded Turntrans-52.3126.6175.7-26.534.5000111.7S141P139-S141 VanDerWaalsContact C-N 3.3Å; P139-S141 PolarHBondContact O-N 3.38Å
140G81.1Confident89.6Confident97 Ų9741.1 Ų41.1100%125%0.248SC*.THydrogen-bonded Turntrans81.1-0.5-178.400000115.5L138L138-G140 PolarHBondContact O-N 3.19Å
141S86.4Confident89.7Confident59 Ų5940.5 Ų40.541%0.41324%0.242SC..SBendtrans-99.1153.5173.971.80000112.1L138 P139L138-S141 WeakPolarHBondContact CA-OG 3.44Å; L138-S141 WeakPolarHBondContact CB-OG 3.29Å; L138-S141 PolarHBondContact N-OG 3.19Å; L138-S141 WeakPolarHBondContact O-CB 3.24Å; L138-S141 PolarHBondContact O-N 2.91Å; L138-S141 PolarHBondContact O-OG 2.8Å; P139-S141 VanDerWaalsContact C-N 3.3Å; P139-S141 PolarHBondContact O-N 3.38Å
142L87.6Confident89.9Confident71 Ų7140.9 Ų40.937%0.37224%0.244SC..PPolyproline II helixtrans-74.3143.4168.1-70.5172.6000109.6K313L142-K313 HydrophobicContact CD1-CB 4.47Å; L142-K313 HydrophobicContact CD2-CD 4.36Å; L142-K313 HydrophobicContact CD2-CG 4.22Å
143P90.9Very high90.2Very high3 Ų337.5 Ų37.52%0.01923%0.231CC..PPolyproline II helixtrans-60.3147.2173.424.9-32.3000110.7R132 D133 E134 A137 C145 H148 R149 M152R132-P143 CarbonylContact O-C 3.38Å; R132-P143 WeakPolarHBondContact O-CB 3.32Å; D133-P143 VanDerWaalsContact C-CB 3.49Å; E134-P143 HydrophobicContact CB-CG 4.48Å; A137-P143 HydrophobicContact CB-CB 4.34Å; P143-C145 VanDerWaalsContact C-N 3.3Å; P143-H148 HydrophobicContact CB-CB 4.41Å; P143-H148 HydrophobicContact CG-CB 4.25Å; P143-R149 HydrophobicContact CG-CG 3.94Å; P143-R149 WeakPolarHBondContact O-CG 3.15Å; P143-R149 PolarHBondContact O-NE 3.11Å; P143-R149 PolarHBondContact O-NH2 2.99Å; P143-M152 HydrophobicContact CG-SD 3.87Å
144D91.8Very high90.6Very high55 Ų5537.4 Ų37.429%0.29423%0.231SC..SBendtrans-75.4-25.4175.2-53.1-68.2000111.5I131 R132 S146I131-D144 HydrophobicContact CB-CB 4.46Å; I131-D144 HydrophobicContact CG2-CB 4.21Å; R132-D144 WeakPolarHBondContact CB-OD2 3.24Å; R132-D144 WeakPolarHBondContact CG-OD2 3.36Å; R132-D144 PolarHBondContact N-OD2 2.78Å; R132-D144 IonicContact NH1-OD2 3.87Å; R132-D144 PolarHBondContact NH1-OD2 3.23Å; R132-D144 PolarHBondContact O-N 3.38Å; D144-S146 PolarHBondContact O-N 3.14Å
145C93.1Very high90.9Very high0 Ų039 Ų390%023%0.234CC..  trans-66.7118.1-178.9179.60000112.3I131 R132 P143 V147 H148 R149 S458I131-C145 HydrophobicContact CG2-CB 4.1Å; R132-C145 WeakPolarHBondContact O-CB 3.41Å; R132-C145 PolarHBondContact O-N 2.68Å; P143-C145 VanDerWaalsContact C-N 3.3Å; C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 2.83Å; C145-H148 HydrophobicContact CB-CB 4.16Å; C145-H148 PolarHBondContact O-N 2.93Å; C145-H148 PolarHBondContact SG-ND1 3Å; C145-R149 WeakPolarHBondContact O-CG 3.39Å; C145-R149 PolarHBondContact O-N 3.33Å; C145-S458 PolarHBondContact SG-N 3.39Å
146S95Very high91.5Very high2 Ų238.3 Ų38.31%0.01423%0.229CC..Hα-helixtrans-64.4-35.4-178-55.40000112.7D144 R149 L150 W265 V275 A456D144-S146 PolarHBondContact O-N 3.14Å; S146-R149 PolarHBondContact O-N 3.2Å; S146-L150 PolarHBondContact O-N 3.09Å; S146-W265 WeakPolarHBondContact O-CZ3 3.2Å; S146-V275 WeakPolarHBondContact OG-CG2 3.49Å; S146-A456 VanDerWaalsContact CB-O 3.31Å; S146-A456 WeakPolarHBondContact CB-O 3.4Å; S146-A456 PolarHBondContact N-O 3.3Å; S146-A456 VanDerWaalsContact N-O 3.14Å; S146-A456 PolarHBondContact OG-O 3.09Å
147V93.9Very high92Very high8 Ų838.2 Ų38.25%0.04823%0.229CC..Hα-helixtrans-60.2-53.2174.5168.70000110.9C145 R149 L150 Q151 I262 W265 A457C145-V147 VanDerWaalsContact C-N 3.32Å; C145-V147 PolarHBondContact O-N 2.83Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.09Å; V147-L150 PolarHBondContact O-N 3.42Å; V147-Q151 HydrophobicContact CG1-CG 4.33Å; V147-Q151 VanDerWaalsContact O-CG 3.29Å; V147-Q151 WeakPolarHBondContact O-CG 3.34Å; V147-Q151 PolarHBondContact O-N 3.47Å; V147-I262 HydrophobicContact CG1-CG1 4.44Å; V147-I262 HydrophobicContact CG1-CG2 3.91Å; V147-I262 HydrophobicContact CG2-CG2 4.49Å; V147-W265 HydrophobicContact CG2-CB 3.56Å; V147-W265 HydrophobicContact CG2-CE3 4.25Å; V147-A457 HydrophobicContact CB-CB 4.22Å; V147-A457 HydrophobicContact CG2-CB 3.6Å
148H92.2Very high92.4Very high38 Ų3838.6 Ų38.618%0.17623%0.228CC..Hα-helixtrans-63-37.6179.7-72.792.3000111.8D133 E134 P143 C145 L150 Q151 M152D133-H148 WeakPolarHBondContact CB-CE1 3.1Å; D133-H148 WeakPolarHBondContact CB-ND1 3.17Å; E134-H148 HydrophobicContact CB-CB 4.36Å; P143-H148 HydrophobicContact CB-CB 4.41Å; P143-H148 HydrophobicContact CG-CB 4.25Å; C145-H148 HydrophobicContact CB-CB 4.16Å; C145-H148 PolarHBondContact O-N 2.93Å; C145-H148 PolarHBondContact SG-ND1 3Å; H148-L150 PolarHBondContact O-N 3.13Å; H148-Q151 PolarHBondContact CD2-OE1 3.5Å; H148-Q151 PolarHBondContact O-N 3.09Å; H148-M152 VanDerWaalsContact O-CG 3.27Å; H148-M152 WeakPolarHBondContact O-CG 3.45Å; H148-M152 PolarHBondContact O-N 3.32Å
149R95.3Very high93Very high10 Ų1038.7 Ų38.74%0.03823%0.225CC..Hα-helixtrans-58.6-47.3173.1-73.9-176.5178.3157.94.1112.5P143 C145 S146 V147 M152 C153 F314 H316P143-R149 HydrophobicContact CG-CG 3.94Å; P143-R149 WeakPolarHBondContact O-CG 3.15Å; P143-R149 PolarHBondContact O-NE 3.11Å; P143-R149 PolarHBondContact O-NH2 2.99Å; C145-R149 WeakPolarHBondContact O-CG 3.39Å; C145-R149 PolarHBondContact O-N 3.33Å; S146-R149 PolarHBondContact O-N 3.2Å; V147-R149 VanDerWaalsContact C-N 3.31Å; V147-R149 PolarHBondContact O-N 3.09Å; R149-M152 WeakPolarHBondContact O-CB 3.45Å; R149-M152 PolarHBondContact O-N 3.07Å; R149-C153 PolarHBondContact O-N 2.69Å; R149-C153 PolarHBondContact O-SG 3.15Å; R149-F314 HydrophobicContact CB-CE1 4.24Å; R149-F314 HydrophobicContact CB-CE2 3.76Å; R149-F314 HydrophobicContact CB-CZ 3.5Å; R149-H316 PolarHBondContact NH1-CE1 3.49Å; R149-H316 PolarHBondContact NH1-NE2 3.13Å; R149-H316 PolarHBondContact NH2-CE1 2.66Å; R149-H316 PolarHBondContact NH2-NE2 2.95Å
150L96.9Very high93.8Very high1 Ų135.9 Ų35.91%0.00521%0.209CC..Hα-helixtrans-68.7-38.8-179.9-178.253.9000111.9S146 V147 H148 M152 C153 V154 T261 I262 W265 L282 L310 F314S146-L150 PolarHBondContact O-N 3.09Å; V147-L150 PolarHBondContact O-N 3.42Å; H148-L150 PolarHBondContact O-N 3.13Å; L150-M152 VanDerWaalsContact C-N 3.29Å; L150-M152 PolarHBondContact O-N 3.2Å; L150-C153 HydrophobicContact CD1-CB 4.43Å; L150-C153 WeakPolarHBondContact O-CB 3.47Å; L150-C153 PolarHBondContact O-N 3.36Å; L150-C153 VanDerWaalsContact O-N 3.13Å; L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 2.9Å; L150-T261 HydrophobicContact CD2-CG2 3.89Å; L150-I262 HydrophobicContact CB-CD1 4.36Å; L150-I262 HydrophobicContact CB-CG1 4.39Å; L150-I262 HydrophobicContact CD2-CD1 4.17Å; L150-I262 HydrophobicContact CD2-CG1 3.82Å; L150-I262 HydrophobicContact CG-CD1 4.04Å; L150-I262 HydrophobicContact CG-CG1 4.18Å; L150-W265 HydrophobicContact CB-CZ3 4.02Å; L150-W265 HydrophobicContact CD2-CH2 4.47Å; L150-W265 HydrophobicContact CD2-CZ3 3.85Å; L150-L282 HydrophobicContact CD1-CD1 4.21Å; L150-L282 HydrophobicContact CD2-CD1 3.73Å; L150-L310 HydrophobicContact CD1-CD1 4.05Å; L150-F314 HydrophobicContact CB-CE2 4.47Å; L150-F314 HydrophobicContact CB-CZ 4.33Å
151Q95Very high94.5Very high29 Ų2931.7 Ų31.714%0.13616%0.164CC..Hα-helixtrans-57.8-41.9170.6-70.2172.9-18.500111.5V147 H148 V154 R155 W211 I262V147-Q151 HydrophobicContact CG1-CG 4.33Å; V147-Q151 VanDerWaalsContact O-CG 3.29Å; V147-Q151 WeakPolarHBondContact O-CG 3.34Å; V147-Q151 PolarHBondContact O-N 3.47Å; H148-Q151 PolarHBondContact CD2-OE1 3.5Å; H148-Q151 PolarHBondContact O-N 3.09Å; Q151-V154 PolarHBondContact O-N 3.07Å; Q151-R155 WeakPolarHBondContact O-CB 3.44Å; Q151-R155 PolarHBondContact O-N 3.29Å; Q151-W211 HydrophobicContact CB-CB 4.29Å; Q151-W211 HydrophobicContact CG-CB 3.85Å; Q151-W211 HydrophobicContact CG-CD2 3.75Å; Q151-W211 HydrophobicContact CG-CE3 4.02Å; Q151-W211 HydrophobicContact CG-CG 3.66Å; Q151-I262 HydrophobicContact CG-CD1 3.78Å
152M94.4Very high95.1Very high19 Ų1936.1 Ų36.19%0.09418%0.178CC..Hα-helixtrans-62.7-40.6173.9-71.1-18077.300112.3E134 P143 H148 R149 L150 V154 R155 F156 K313E134-M152 HydrophobicContact CG-SD 4.22Å; P143-M152 HydrophobicContact CG-SD 3.87Å; H148-M152 VanDerWaalsContact O-CG 3.27Å; H148-M152 WeakPolarHBondContact O-CG 3.45Å; H148-M152 PolarHBondContact O-N 3.32Å; R149-M152 WeakPolarHBondContact O-CB 3.45Å; R149-M152 PolarHBondContact O-N 3.07Å; L150-M152 VanDerWaalsContact C-N 3.29Å; L150-M152 PolarHBondContact O-N 3.2Å; M152-V154 VanDerWaalsContact C-N 3.35Å; M152-V154 PolarHBondContact O-N 2.83Å; M152-R155 PolarHBondContact O-N 2.8Å; M152-F156 HydrophobicContact CE-CE2 3.78Å; M152-F156 HydrophobicContact CE-CZ 3.77Å; M152-F156 WeakPolarHBondContact O-CB 3.29Å; M152-F156 WeakPolarHBondContact O-CG 3.47Å; M152-F156 PolarHBondContact O-N 3.25Å; M152-K313 HydrophobicContact CB-CD 4.09Å
153C97.8Very high95.5Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-58.5-48176-60.50000111.3R149 L150 F156 A157 L306 E309R149-C153 PolarHBondContact O-N 2.69Å; R149-C153 PolarHBondContact O-SG 3.15Å; L150-C153 HydrophobicContact CD1-CB 4.43Å; L150-C153 WeakPolarHBondContact O-CB 3.47Å; L150-C153 PolarHBondContact O-N 3.36Å; L150-C153 VanDerWaalsContact O-N 3.13Å; C153-F156 PolarHBondContact O-N 3.29Å; C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.34Å; C153-A157 PolarHBondContact O-N 3.19Å; C153-L306 HydrophobicContact CB-CD1 3.77Å; C153-E309 HydrophobicContact CB-CB 3.79Å; C153-E309 VanDerWaalsContact SG-C 3.56Å; C153-E309 PolarHBondContact SG-O 2.96Å; C153-E309 VanDerWaalsContact SG-O 3.42Å
154V97.8Very high95.7Very high1 Ų137.3 Ų37.31%0.00618%0.184CC..Hα-helixtrans-62-47.4177.8171.80000111L150 Q151 M152 F156 A157 L158 W211 F215 M255 C258 L306L150-V154 WeakPolarHBondContact O-CG2 3.4Å; L150-V154 PolarHBondContact O-N 2.9Å; Q151-V154 PolarHBondContact O-N 3.07Å; M152-V154 VanDerWaalsContact C-N 3.35Å; M152-V154 PolarHBondContact O-N 2.83Å; V154-F156 PolarHBondContact O-N 2.8Å; V154-A157 PolarHBondContact O-N 3.31Å; V154-L158 PolarHBondContact O-N 2.78Å; V154-W211 HydrophobicContact CB-CZ3 4.46Å; V154-W211 HydrophobicContact CG1-CE3 4.47Å; V154-W211 HydrophobicContact CG1-CZ3 4.26Å; V154-W211 HydrophobicContact CG2-CZ3 4.21Å; V154-F215 HydrophobicContact CG1-CD2 4.4Å; V154-F215 HydrophobicContact CG1-CE2 3.43Å; V154-F215 VanDerWaalsContact CG1-CE2 3.43Å; V154-F215 HydrophobicContact CG1-CZ 3.89Å; V154-M255 HydrophobicContact CB-CE 4.42Å; V154-M255 HydrophobicContact CG1-CE 3.57Å; V154-M255 HydrophobicContact CG1-SD 3.83Å; V154-M255 HydrophobicContact CG2-CE 3.92Å; V154-M255 HydrophobicContact CG2-SD 4.23Å; V154-C258 HydrophobicContact CG2-CB 4.27Å; V154-L306 HydrophobicContact CG2-CD1 3.95Å
155R95.7Very high96Very high91 Ų9137.9 Ų37.934%0.34319%0.185SC..Hα-helixtrans-58.5-47.7179.5-174.5178.267.8-168.7-1.1111.5E134 Q151 M152 L158 Q159E134-R155 IonicContact OE1-CZ 4Å; E134-R155 VanDerWaalsContact OE1-CZ 3.31Å; E134-R155 IonicContact OE1-NH1 3.31Å; E134-R155 PolarHBondContact OE1-NH1 3.44Å; E134-R155 IonicContact OE1-NH2 2.76Å; E134-R155 PolarHBondContact OE1-NH2 3.06Å; E134-R155 IonicContact OE2-CZ 2.92Å; E134-R155 IonicContact OE2-NH1 3.11Å; E134-R155 PolarHBondContact OE2-NH1 3.46Å; E134-R155 IonicContact OE2-NH2 3.77Å; Q151-R155 WeakPolarHBondContact O-CB 3.44Å; Q151-R155 PolarHBondContact O-N 3.29Å; M152-R155 PolarHBondContact O-N 2.8Å; R155-L158 PolarHBondContact O-N 2.71Å; R155-Q159 WeakPolarHBondContact O-CB 3.16Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.06Å; R155-Q159 PolarHBondContact O-N 3.46Å
156F96.7Very high96.2Very high56 Ų5642.5 Ų42.525%0.24621%0.209CC..Hα-helixtrans-71.1-33.7-179.6-66.8-18.9000112.9M152 C153 V154 S160 E309 K313M152-F156 HydrophobicContact CE-CE2 3.78Å; M152-F156 HydrophobicContact CE-CZ 3.77Å; M152-F156 WeakPolarHBondContact O-CB 3.29Å; M152-F156 WeakPolarHBondContact O-CG 3.47Å; M152-F156 PolarHBondContact O-N 3.25Å; C153-F156 PolarHBondContact O-N 3.29Å; V154-F156 PolarHBondContact O-N 2.8Å; F156-S160 WeakPolarHBondContact O-CB 3.48Å; F156-S160 PolarHBondContact O-N 2.9Å; F156-S160 PolarHBondContact O-OG 2.95Å; F156-E309 HydrophobicContact CB-CG 4.14Å; F156-K313 VanDerWaalsContact CD2-NZ 3.35Å
157A98Very high96.3Very high0 Ų042.4 Ų42.40%021%0.209CC..Hα-helixtrans-63.7-42.7172.200000112.1C153 V154 S160 F302 K305 L306C153-A157 VanDerWaalsContact O-CB 3.3Å; C153-A157 WeakPolarHBondContact O-CB 3.34Å; C153-A157 PolarHBondContact O-N 3.19Å; V154-A157 PolarHBondContact O-N 3.31Å; A157-S160 PolarHBondContact O-N 3.01Å; A157-F302 HydrophobicContact CB-CD2 3.9Å; A157-F302 HydrophobicContact CB-CE2 3.64Å; A157-F302 HydrophobicContact CB-CZ 4.49Å; A157-K305 HydrophobicContact CB-CB 4.35Å; A157-K305 HydrophobicContact CB-CG 4.19Å; A157-L306 HydrophobicContact CB-CB 3.83Å; A157-L306 HydrophobicContact CB-CD1 4.27Å
158L96.8Very high96.4Very high29 Ų2942.8 Ų42.815%0.15221%0.212CC..Hα-helixtrans-66.6-45.8176.6-179.161.4000111.5V154 R155 S160 N161 L164 Q165 A214 F215 F302V154-L158 PolarHBondContact O-N 2.78Å; R155-L158 PolarHBondContact O-N 2.71Å; L158-S160 PolarHBondContact O-N 2.92Å; L158-N161 PolarHBondContact O-N 3.2Å; L158-L164 HydrophobicContact CD1-CB 4.23Å; L158-L164 HydrophobicContact CD1-CD2 3.68Å; L158-L164 HydrophobicContact CD1-CG 3.74Å; L158-Q165 HydrophobicContact CD1-CG 4.32Å; L158-Q165 HydrophobicContact CG-CG 4.36Å; L158-Q165 PolarHBondContact O-NE2 3.1Å; L158-A214 HydrophobicContact CD2-CB 4.22Å; L158-F215 HydrophobicContact CB-CZ 4.29Å; L158-F215 HydrophobicContact CD1-CE1 4.49Å; L158-F215 HydrophobicContact CD1-CZ 4.29Å; L158-F215 HydrophobicContact CD2-CE2 4.27Å; L158-F215 HydrophobicContact CD2-CZ 4.02Å; L158-F215 HydrophobicContact CG-CZ 4.43Å; L158-F302 HydrophobicContact CB-CE2 4.29Å
159Q95.9Very high96.6Very high110 Ų11043.9 Ų43.951%0.51422%0.224SC..Hα-helixtrans-61.8-28.2178.5-76.3176.4-16.800113.3R155 N161 Q165R155-Q159 WeakPolarHBondContact O-CB 3.16Å; R155-Q159 VanDerWaalsContact O-CG 3.27Å; R155-Q159 WeakPolarHBondContact O-CG 3.06Å; R155-Q159 PolarHBondContact O-N 3.46Å; Q159-N161 VanDerWaalsContact C-N 3.27Å; Q159-N161 PolarHBondContact O-N 2.86Å; Q159-Q165 VanDerWaalsContact C-NE2 3.31Å; Q159-Q165 PolarHBondContact O-NE2 3.29Å
160S96.9Very high96.7Very high74 Ų7445.5 Ų45.552%0.51723%0.231SC..THydrogen-bonded Turntrans-82.1-3.3176.9-54.30000113.3F156 A157 L158 K305F156-S160 WeakPolarHBondContact O-CB 3.48Å; F156-S160 PolarHBondContact O-N 2.9Å; F156-S160 PolarHBondContact O-OG 2.95Å; A157-S160 PolarHBondContact O-N 3.01Å; L158-S160 PolarHBondContact O-N 2.92Å; S160-K305 WeakPolarHBondContact OG-CE 3.32Å
161N97.3Very high96.8Very high10 Ų1045.4 Ų45.45%0.05323%0.231CC..  trans-119.394-175.6-166.2-43.3000110.8L158 Q159 L163 L164 Q165 T298 S301L158-N161 PolarHBondContact O-N 3.2Å; Q159-N161 VanDerWaalsContact C-N 3.27Å; Q159-N161 PolarHBondContact O-N 2.86Å; N161-L163 PolarHBondContact O-N 2.89Å; N161-L163 PolarHBondContact OD1-N 3.14Å; N161-L164 HydrophobicContact CB-CB 4.1Å; N161-L164 PolarHBondContact O-N 2.95Å; N161-L164 WeakPolarHBondContact OD1-CB 3.32Å; N161-L164 PolarHBondContact OD1-N 3.17Å; N161-Q165 WeakPolarHBondContact O-CG 3.45Å; N161-Q165 PolarHBondContact O-N 3.41Å; N161-Q165 VanDerWaalsContact O-N 3.09Å; N161-Q165 PolarHBondContact O-NE2 3.3Å; N161-T298 PolarHBondContact ND2-O 3.35Å; N161-S301 PolarHBondContact ND2-OG 3.17Å
162E97.2Very high96.9Very high151 Ų15147.7 Ų47.771%0.70624%0.24SC*.Hα-helixtrans-64.4-37.6-177.5-66.2-177.1174.800112.7Q165 N166E162-Q165 PolarHBondContact O-N 2.78Å; E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.16Å; E162-N166 PolarHBondContact O-ND2 3.38Å
163L96.3Very high97Very high99 Ų9951.7 Ų51.752%0.51826%0.258SS..Hα-helixtrans-63.3-46.2179.6-65.3176.8000111.1N161 Q165 N166 L167 T298N161-L163 PolarHBondContact O-N 2.89Å; N161-L163 PolarHBondContact OD1-N 3.14Å; L163-Q165 VanDerWaalsContact C-N 3.34Å; L163-Q165 PolarHBondContact O-N 2.94Å; L163-N166 PolarHBondContact O-N 2.94Å; L163-L167 WeakPolarHBondContact O-CB 3.1Å; L163-L167 PolarHBondContact O-N 2.93Å; L163-T298 HydrophobicContact CB-CG2 3.79Å; L163-T298 WeakPolarHBondContact CD1-OG1 3.39Å
164L96.4Very high96.9Very high0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-67.3-34.2177.2-169.360.3000112.2L158 N161 L167 S168 F215 M218 C251 T298 F302L158-L164 HydrophobicContact CD1-CB 4.23Å; L158-L164 HydrophobicContact CD1-CD2 3.68Å; L158-L164 HydrophobicContact CD1-CG 3.74Å; N161-L164 HydrophobicContact CB-CB 4.1Å; N161-L164 PolarHBondContact O-N 2.95Å; N161-L164 WeakPolarHBondContact OD1-CB 3.32Å; N161-L164 PolarHBondContact OD1-N 3.17Å; L164-L167 HydrophobicContact CD1-CD2 4.4Å; L164-L167 PolarHBondContact O-N 2.84Å; L164-S168 WeakPolarHBondContact O-CB 3.33Å; L164-S168 PolarHBondContact O-N 2.86Å; L164-F215 HydrophobicContact CD2-CE1 4.44Å; L164-M218 HydrophobicContact CD1-CE 4.37Å; L164-M218 HydrophobicContact CD1-SD 4.31Å; L164-C251 HydrophobicContact CD1-CB 4.38Å; L164-T298 HydrophobicContact CB-CG2 4.18Å; L164-F302 HydrophobicContact CD2-CB 4.32Å; L164-F302 HydrophobicContact CD2-CD1 4.32Å; L164-F302 HydrophobicContact CD2-CD2 3.74Å; L164-F302 HydrophobicContact CD2-CE2 4.1Å; L164-F302 HydrophobicContact CD2-CG 3.87Å
165Q97.3Very high96.9Very high68 Ų6852 Ų5232%0.31826%0.261SS..Hα-helixtrans-66.2-40.7172.8-76.4175.480.900112.5L158 Q159 N161 E162 L163 L167 S168 S169L158-Q165 HydrophobicContact CD1-CG 4.32Å; L158-Q165 HydrophobicContact CG-CG 4.36Å; L158-Q165 PolarHBondContact O-NE2 3.1Å; Q159-Q165 VanDerWaalsContact C-NE2 3.31Å; Q159-Q165 PolarHBondContact O-NE2 3.29Å; N161-Q165 WeakPolarHBondContact O-CG 3.45Å; N161-Q165 PolarHBondContact O-N 3.41Å; N161-Q165 VanDerWaalsContact O-N 3.09Å; N161-Q165 PolarHBondContact O-NE2 3.3Å; E162-Q165 PolarHBondContact O-N 2.78Å; L163-Q165 VanDerWaalsContact C-N 3.34Å; L163-Q165 PolarHBondContact O-N 2.94Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; Q165-S168 PolarHBondContact O-N 3.19Å; Q165-S169 WeakPolarHBondContact O-CB 3.46Å; Q165-S169 PolarHBondContact O-N 3.1Å; Q165-S169 PolarHBondContact O-OG 2.9Å
166N96.7Very high96.9Very high96 Ų9651 Ų5151%0.51326%0.262SS..Hα-helixtrans-62.7-43174.4-71.5-26.3000110.7E162 L163 S169 K170E162-N166 WeakPolarHBondContact O-CB 3.36Å; E162-N166 PolarHBondContact O-N 3.16Å; E162-N166 PolarHBondContact O-ND2 3.38Å; L163-N166 PolarHBondContact O-N 2.94Å; N166-S169 WeakPolarHBondContact O-CB 3.49Å; N166-S169 PolarHBondContact O-N 3.33Å; N166-S169 VanDerWaalsContact O-N 3.15Å; N166-K170 PolarHBondContact O-N 3.5Å
167L97Very high96.8Very high1 Ų151 Ų511%0.00526%0.262CS..Hα-helixtrans-63.4-44.3176.2-175.551.6000112.4L163 L164 Q165 S169 K170 C171 I240 E244 E247 I248L163-L167 WeakPolarHBondContact O-CB 3.1Å; L163-L167 PolarHBondContact O-N 2.93Å; L164-L167 HydrophobicContact CD1-CD2 4.4Å; L164-L167 PolarHBondContact O-N 2.84Å; Q165-L167 VanDerWaalsContact C-N 3.33Å; L167-S169 VanDerWaalsContact C-N 3.26Å; L167-S169 PolarHBondContact O-N 3.49Å; L167-K170 PolarHBondContact O-N 3.44Å; L167-C171 PolarHBondContact O-N 3.36Å; L167-C171 PolarHBondContact O-SG 3.34Å; L167-C171 VanDerWaalsContact O-SG 3.33Å; L167-I240 HydrophobicContact CD1-CG2 4.48Å; L167-E244 HydrophobicContact CD1-CB 3.77Å; L167-E244 HydrophobicContact CD1-CG 4.19Å; L167-E244 HydrophobicContact CD2-CB 4.4Å; L167-E247 HydrophobicContact CD2-CB 3.9Å; L167-I248 HydrophobicContact CD1-CD1 4.08Å; L167-I248 HydrophobicContact CD1-CG1 4.22Å; L167-I248 HydrophobicContact CD2-CG1 3.78Å; L167-I248 HydrophobicContact CG-CD1 4.38Å; L167-I248 HydrophobicContact CG-CG1 4.02Å
168S97Very high96.6Very high15 Ų1551.1 Ų51.111%0.10526%0.263CS..Hα-helixtrans-58.7-39.3171.7-1800000111.5L164 Q165 C171 K172 M217L164-S168 WeakPolarHBondContact O-CB 3.33Å; L164-S168 PolarHBondContact O-N 2.86Å; Q165-S168 PolarHBondContact O-N 3.19Å; S168-C171 PolarHBondContact O-N 3.47Å; S168-K172 WeakPolarHBondContact O-CB 3.49Å; S168-K172 PolarHBondContact O-N 3.48Å; S168-M217 WeakPolarHBondContact O-CE 3.27Å
169S97.1Very high96.5Very high61 Ų6153.5 Ų53.543%0.42729%0.287SS..Hα-helixtrans-68.2-36.1178.3-60.20000112.7Q165 N166 L167 K172 Q173Q165-S169 WeakPolarHBondContact O-CB 3.46Å; Q165-S169 PolarHBondContact O-N 3.1Å; Q165-S169 PolarHBondContact O-OG 2.9Å; N166-S169 WeakPolarHBondContact O-CB 3.49Å; N166-S169 PolarHBondContact O-N 3.33Å; N166-S169 VanDerWaalsContact O-N 3.15Å; L167-S169 VanDerWaalsContact C-N 3.26Å; L167-S169 PolarHBondContact O-N 3.49Å; S169-K172 PolarHBondContact O-N 3.1Å; S169-Q173 WeakPolarHBondContact O-CG 3.42Å; S169-Q173 PolarHBondContact O-N 3.4Å; S169-Q173 VanDerWaalsContact O-N 3.11Å; S169-Q173 PolarHBondContact O-NE2 2.79Å
170K97.4Very high96.3Very high44 Ų4453 Ų5319%0.19130%0.295CS..Hα-helixtrans-63.4-46.9170.9-69.9-178175.8-175.10111.3N166 L167 K172 Q173 I174 V238 E244N166-K170 PolarHBondContact O-N 3.5Å; L167-K170 PolarHBondContact O-N 3.44Å; K170-K172 VanDerWaalsContact C-N 3.28Å; K170-K172 PolarHBondContact O-N 3.31Å; K170-Q173 PolarHBondContact O-N 3.43Å; K170-I174 PolarHBondContact O-N 3.46Å; K170-I174 VanDerWaalsContact O-N 3.14Å; K170-V238 HydrophobicContact CB-CG1 3.78Å; K170-V238 HydrophobicContact CD-CG1 4.2Å; K170-V238 HydrophobicContact CG-CG1 3.73Å; K170-E244 IonicContact NZ-OE1 2.66Å; K170-E244 PolarHBondContact NZ-OE1 3.17Å; K170-E244 IonicContact NZ-OE2 2.94Å; K170-E244 PolarHBondContact NZ-OE2 2.85Å
171C97.6Very high96.2Very high0 Ų051.3 Ų51.30%028%0.284CS..Hα-helixtrans-58.9-41.5176.4-680000111.5L167 S168 Q173 I174 V175 M217 M218 V221L167-C171 PolarHBondContact O-N 3.36Å; L167-C171 PolarHBondContact O-SG 3.34Å; L167-C171 VanDerWaalsContact O-SG 3.33Å; S168-C171 PolarHBondContact O-N 3.47Å; C171-Q173 PolarHBondContact O-N 3.2Å; C171-I174 WeakPolarHBondContact O-CB 3.4Å; C171-I174 PolarHBondContact O-N 3.3Å; C171-V175 WeakPolarHBondContact O-CG2 3.45Å; C171-V175 PolarHBondContact O-N 3.28Å; C171-M217 HydrophobicContact CB-CE 4Å; C171-M218 HydrophobicContact CB-CG 4.08Å; C171-V221 HydrophobicContact CB-CG2 4.09Å
172K97Very high96.1Very high76 Ų7658.6 Ų58.633%0.3332%0.315SS..Hα-helixtrans-60.7-44.4175.6-173.7176.2179.9-65.60112.5S168 S169 K170 I174 V175 D176 Y206 M217S168-K172 WeakPolarHBondContact O-CB 3.49Å; S168-K172 PolarHBondContact O-N 3.48Å; S169-K172 PolarHBondContact O-N 3.1Å; K170-K172 VanDerWaalsContact C-N 3.28Å; K170-K172 PolarHBondContact O-N 3.31Å; K172-I174 VanDerWaalsContact C-N 3.28Å; K172-I174 PolarHBondContact O-N 3.46Å; K172-V175 PolarHBondContact O-N 2.79Å; K172-V175 VanDerWaalsContact O-N 3.16Å; K172-D176 IonicContact NZ-OD1 2.66Å; K172-D176 IonicContact NZ-OD2 3.76Å; K172-D176 PolarHBondContact NZ-OD2 3.22Å; K172-D176 WeakPolarHBondContact O-CB 3.36Å; K172-D176 VanDerWaalsContact O-CG 3.23Å; K172-D176 PolarHBondContact O-N 3.36Å; K172-Y206 HydrophobicContact CD-CD1 4.49Å; K172-M217 VanDerWaalsContact CA-SD 3.51Å; K172-M217 HydrophobicContact CB-CE 3.92Å; K172-M217 HydrophobicContact CB-SD 3.78Å; K172-M217 HydrophobicContact CG-SD 4.26Å
173Q96.8Very high95.9Very high103 Ų10357.8 Ų57.848%0.48131%0.313SS..Hα-helixtrans-60.1-38.7176.7-73.2171.669.800112.3S169 K170 C171 H177 V238S169-Q173 WeakPolarHBondContact O-CG 3.42Å; S169-Q173 PolarHBondContact O-N 3.4Å; S169-Q173 VanDerWaalsContact O-N 3.11Å; S169-Q173 PolarHBondContact O-NE2 2.79Å; K170-Q173 PolarHBondContact O-N 3.43Å; C171-Q173 PolarHBondContact O-N 3.2Å; Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-N 3.44Å; Q173-V238 HydrophobicContact CB-CG2 3.78Å; Q173-V238 HydrophobicContact CG-CG2 4.44Å; Q173-V238 VanDerWaalsContact OE1-CG2 3.3Å
174I96.4Very high95.8Very high4 Ų453.2 Ų53.22%0.02129%0.289CS..Hα-helixtrans-60.9-50.2173.8-68.5169.6000110.4K170 C171 K172 D176 H177 F178 V221 L228 L237 V238 I240K170-I174 PolarHBondContact O-N 3.46Å; K170-I174 VanDerWaalsContact O-N 3.14Å; C171-I174 WeakPolarHBondContact O-CB 3.4Å; C171-I174 PolarHBondContact O-N 3.3Å; K172-I174 VanDerWaalsContact C-N 3.28Å; K172-I174 PolarHBondContact O-N 3.46Å; I174-D176 PolarHBondContact O-N 3.09Å; I174-H177 WeakPolarHBondContact O-CB 3.31Å; I174-H177 PolarHBondContact O-N 3.04Å; I174-F178 HydrophobicContact CG2-CD2 4.14Å; I174-F178 HydrophobicContact CG2-CE2 4.02Å; I174-F178 WeakPolarHBondContact O-CD2 3.35Å; I174-F178 PolarHBondContact O-N 2.81Å; I174-V221 HydrophobicContact CD1-CG1 4.24Å; I174-L228 HydrophobicContact CG2-CD1 4.22Å; I174-L228 HydrophobicContact CG2-CD2 3.89Å; I174-L237 HydrophobicContact CB-CD2 4.45Å; I174-L237 HydrophobicContact CG1-CD1 4.48Å; I174-L237 HydrophobicContact CG1-CD2 3.94Å; I174-L237 HydrophobicContact CG1-CG 4.04Å; I174-L237 HydrophobicContact CG2-CD2 4.1Å; I174-V238 HydrophobicContact CG1-CB 4.41Å; I174-I240 HydrophobicContact CD1-CD1 3.5Å; I174-I240 VanDerWaalsContact CD1-CD1 3.5Å; I174-I240 HydrophobicContact CD1-CG1 3.93Å
175V96.7Very high95.7Very high5 Ų556.5 Ų56.53%0.0331%0.307CS..Hα-helixtrans-63.2-43.7-179.7177.70000111.9C171 K172 H177 F178 A179 L203 M217 V221C171-V175 WeakPolarHBondContact O-CG2 3.45Å; C171-V175 PolarHBondContact O-N 3.28Å; K172-V175 PolarHBondContact O-N 2.79Å; K172-V175 VanDerWaalsContact O-N 3.16Å; V175-H177 VanDerWaalsContact C-N 3.31Å; V175-H177 PolarHBondContact O-N 3.33Å; V175-F178 PolarHBondContact O-N 3.31Å; V175-A179 WeakPolarHBondContact O-CB 3.3Å; V175-A179 PolarHBondContact O-N 2.93Å; V175-L203 HydrophobicContact CG1-CB 4.22Å; V175-L203 HydrophobicContact CG2-CB 4.08Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; V175-L203 HydrophobicContact CG2-CG 4.43Å; V175-M217 HydrophobicContact CG2-CG 3.84Å; V175-M217 HydrophobicContact CG2-SD 4.35Å; V175-V221 HydrophobicContact CG2-CG2 3.86Å
176D95.6Very high95.6Very high68 Ų6857.3 Ų57.336%0.36431%0.313SS..Hα-helixtrans-63-36179.6-70.3-15.6000111.7K172 I174 A179 S180K172-D176 IonicContact NZ-OD1 2.66Å; K172-D176 IonicContact NZ-OD2 3.76Å; K172-D176 PolarHBondContact NZ-OD2 3.22Å; K172-D176 WeakPolarHBondContact O-CB 3.36Å; K172-D176 VanDerWaalsContact O-CG 3.23Å; K172-D176 PolarHBondContact O-N 3.36Å; I174-D176 PolarHBondContact O-N 3.09Å; D176-A179 PolarHBondContact O-N 3.34Å; D176-S180 VanDerWaalsContact O-CB 3.29Å; D176-S180 WeakPolarHBondContact O-CB 3.41Å; D176-S180 PolarHBondContact O-N 3.09Å; D176-S180 PolarHBondContact O-OG 2.94Å
177H94.9Very high95.5Very high57 Ų5754.2 Ų54.226%0.26430%0.295SS..Hα-helixtrans-59.7-49.2173.4173.879.9000112Q173 I174 V175 A179 S180 S181 Y231 L237Q173-H177 WeakPolarHBondContact O-CB 3.43Å; Q173-H177 PolarHBondContact O-N 3.44Å; I174-H177 WeakPolarHBondContact O-CB 3.31Å; I174-H177 PolarHBondContact O-N 3.04Å; V175-H177 VanDerWaalsContact C-N 3.31Å; V175-H177 PolarHBondContact O-N 3.33Å; H177-A179 VanDerWaalsContact C-N 3.35Å; H177-S180 PolarHBondContact O-N 3.19Å; H177-S180 PolarHBondContact O-OG 3.13Å; H177-S180 VanDerWaalsContact O-OG 3.04Å; H177-S181 PolarHBondContact O-N 2.66Å; H177-S181 VanDerWaalsContact O-N 3.12Å; H177-Y231 AromaticContact NE2-CE1 3.85Å; H177-Y231 AromaticContact NE2-CZ 3.79Å; H177-Y231 PolarHBondContact NE2-OH 3.14Å; H177-Y231 VanDerWaalsContact NE2-OH 3.15Å; H177-L237 HydrophobicContact CB-CD1 3.89Å
178F95Very high95.3Very high3 Ų354.4 Ų54.41%0.01330%0.296CS..Hα-helixtrans-75.8-22.2-179.8-69.6-70.2000113.8I174 V175 A184 N185 L188 L203 L228 Y231 L237I174-F178 HydrophobicContact CG2-CD2 4.14Å; I174-F178 HydrophobicContact CG2-CE2 4.02Å; I174-F178 WeakPolarHBondContact O-CD2 3.35Å; I174-F178 PolarHBondContact O-N 2.81Å; V175-F178 PolarHBondContact O-N 3.31Å; F178-A184 HydrophobicContact CD1-CB 3.86Å; F178-A184 HydrophobicContact CE1-CB 4.03Å; F178-A184 WeakPolarHBondContact CE1-O 3.08Å; F178-N185 PolarHBondContact O-ND2 3.49Å; F178-N185 VanDerWaalsContact O-ND2 3.12Å; F178-L188 HydrophobicContact CD1-CB 4Å; F178-L188 HydrophobicContact CD1-CD2 3.82Å; F178-L188 HydrophobicContact CD1-CG 4.5Å; F178-L188 HydrophobicContact CD2-CD2 4.1Å; F178-L188 HydrophobicContact CE1-CB 3.69Å; F178-L188 HydrophobicContact CE1-CD1 4.42Å; F178-L188 HydrophobicContact CE1-CD2 3.86Å; F178-L188 HydrophobicContact CE1-CG 4.2Å; F178-L188 HydrophobicContact CE2-CD2 4.14Å; F178-L188 HydrophobicContact CG-CD2 3.96Å; F178-L188 HydrophobicContact CZ-CB 4.38Å; F178-L188 HydrophobicContact CZ-CD1 4.28Å; F178-L188 HydrophobicContact CZ-CD2 4.02Å; F178-L188 HydrophobicContact CZ-CG 4.46Å; F178-L203 HydrophobicContact CB-CD1 3.78Å; F178-L203 HydrophobicContact CD2-CD1 3.42Å; F178-L203 VanDerWaalsContact CD2-CD1 3.42Å; F178-L203 HydrophobicContact CE2-CD1 4.29Å; F178-L203 HydrophobicContact CG-CD1 3.83Å; F178-L228 HydrophobicContact CD2-CD2 4.31Å; F178-L228 HydrophobicContact CE2-CD2 3.42Å; F178-L228 VanDerWaalsContact CE2-CD2 3.42Å; F178-L228 HydrophobicContact CZ-CD2 3.92Å; F178-Y231 HydrophobicContact CE1-CD1 4.27Å; F178-Y231 HydrophobicContact CE1-CD2 4.03Å; F178-Y231 HydrophobicContact CE1-CE1 4.06Å; F178-Y231 AromaticContact CE1-CE2 3.8Å; F178-Y231 HydrophobicContact CE1-CE2 3.8Å; F178-Y231 HydrophobicContact CE1-CG 4.27Å; F178-Y231 AromaticContact CE1-CZ 3.84Å; F178-Y231 AromaticContact CZ-CD1 3.73Å; F178-Y231 HydrophobicContact CZ-CD1 3.73Å; F178-Y231 HydrophobicContact CZ-CD2 4.17Å; F178-Y231 AromaticContact CZ-CE1 3.82Å; F178-Y231 HydrophobicContact CZ-CE1 3.82Å; F178-Y231 HydrophobicContact CZ-CE2 4.24Å; F178-Y231 AromaticContact CZ-CG 3.93Å; F178-Y231 HydrophobicContact CZ-CG 3.93Å; F178-L237 HydrophobicContact CE2-CD2 3.96Å; F178-L237 HydrophobicContact CZ-CD2 4.36Å
179A93.4Very high95.2Very high79 Ų7958 Ų5865%0.65331%0.31SS*.Hα-helixtrans-75.8-35.9172.300000111.9V175 D176 H177V175-A179 WeakPolarHBondContact O-CB 3.3Å; V175-A179 PolarHBondContact O-N 2.93Å; D176-A179 PolarHBondContact O-N 3.34Å; H177-A179 VanDerWaalsContact C-N 3.35Å
180S93.5Very high95.1Very high99 Ų9959.6 Ų59.669%0.69231%0.31SS*.Hα-helixtrans-82.3-26-177.757.80000114D176 H177D176-S180 VanDerWaalsContact O-CB 3.29Å; D176-S180 WeakPolarHBondContact O-CB 3.41Å; D176-S180 PolarHBondContact O-N 3.09Å; D176-S180 PolarHBondContact O-OG 2.94Å; H177-S180 PolarHBondContact O-N 3.19Å; H177-S180 PolarHBondContact O-OG 3.13Å; H177-S180 VanDerWaalsContact O-OG 3.04Å
181S94.1Very high94.9Very high39 Ų3957.5 Ų57.527%0.27330%0.301SS..  trans-115.7105.5-178.6178.50000112.3H177 M183 A184 N185H177-S181 PolarHBondContact O-N 2.66Å; H177-S181 VanDerWaalsContact O-N 3.12Å; S181-M183 VanDerWaalsContact C-N 3.26Å; S181-M183 PolarHBondContact O-N 2.98Å; S181-A184 PolarHBondContact O-N 2.91Å; S181-A184 WeakPolarHBondContact OG-CB 3.46Å; S181-A184 PolarHBondContact OG-N 3.03Å; S181-A184 VanDerWaalsContact OG-N 3.15Å; S181-N185 PolarHBondContact O-N 2.84Å
182K94Very high94.7Very high162 Ų16258.1 Ų58.170%0.70430%0.303SS*.Hα-helixtrans-57.7-40.5173.7-175.9175.5178.9-179.10111.9A184 N185 D186K182-A184 PolarHBondContact O-N 3.25Å; K182-N185 WeakPolarHBondContact O-CB 3.42Å; K182-N185 PolarHBondContact O-N 2.87Å; K182-D186 WeakPolarHBondContact O-CB 3.32Å; K182-D186 VanDerWaalsContact O-CG 3.24Å; K182-D186 PolarHBondContact O-N 3.36Å
183M94.7Very high94.6Very high135 Ų13558.3 Ų58.367%0.66531%0.305SS*.Hα-helixtrans-62.7-42.5177.7-170.3-177.987.100111.9S181 N185 H187S181-M183 VanDerWaalsContact C-N 3.26Å; S181-M183 PolarHBondContact O-N 2.98Å; M183-N185 VanDerWaalsContact C-N 3.35Å; M183-H187 WeakPolarHBondContact O-CB 3.16Å; M183-H187 PolarHBondContact O-N 3.31Å
184A94Very high94.4Very high2 Ų258.3 Ų58.32%0.01731%0.308CS..Hα-helixtrans-65.2-40.8175.800000111.4F178 S181 K182 H187 L188 Y231F178-A184 HydrophobicContact CD1-CB 3.86Å; F178-A184 HydrophobicContact CE1-CB 4.03Å; F178-A184 WeakPolarHBondContact CE1-O 3.08Å; S181-A184 PolarHBondContact O-N 2.91Å; S181-A184 WeakPolarHBondContact OG-CB 3.46Å; S181-A184 PolarHBondContact OG-N 3.03Å; S181-A184 VanDerWaalsContact OG-N 3.15Å; K182-A184 PolarHBondContact O-N 3.25Å; A184-H187 PolarHBondContact O-N 3.37Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 2.9Å; A184-Y231 HydrophobicContact CB-CE2 4.39Å; A184-Y231 WeakPolarHBondContact CB-OH 3.4Å
185N94.2Very high94.2Very high70 Ų7063.2 Ų63.237%0.37433%0.326SS..Hα-helixtrans-63.1-47.1177.2-160.4-81.3000112F178 S181 K182 M183 H187 L188 K189F178-N185 PolarHBondContact O-ND2 3.49Å; F178-N185 VanDerWaalsContact O-ND2 3.12Å; S181-N185 PolarHBondContact O-N 2.84Å; K182-N185 WeakPolarHBondContact O-CB 3.42Å; K182-N185 PolarHBondContact O-N 2.87Å; M183-N185 VanDerWaalsContact C-N 3.35Å; N185-H187 VanDerWaalsContact C-N 3.28Å; N185-H187 PolarHBondContact O-N 2.87Å; N185-L188 PolarHBondContact O-N 3.44Å; N185-K189 WeakPolarHBondContact O-CB 3.31Å; N185-K189 PolarHBondContact O-N 2.84Å
186D93.9Very high94Very high84 Ų8464.8 Ų64.845%0.44933%0.334SS..Hα-helixtrans-61.7-38.5176.9-70.6-22000110.6K182 K189 F190K182-D186 WeakPolarHBondContact O-CB 3.32Å; K182-D186 VanDerWaalsContact O-CG 3.24Å; K182-D186 PolarHBondContact O-N 3.36Å; D186-K189 PolarHBondContact O-N 2.92Å; D186-F190 PolarHBondContact O-N 3.43Å
187H94.4Very high93.8Very high31 Ų3167.5 Ų67.514%0.14435%0.353CS..Hα-helixtrans-69.4-42175.2-170.7-152.8000112.7M183 A184 N185 K189 F190 I191 Y231 E234 Y235M183-H187 WeakPolarHBondContact O-CB 3.16Å; M183-H187 PolarHBondContact O-N 3.31Å; A184-H187 PolarHBondContact O-N 3.37Å; N185-H187 VanDerWaalsContact C-N 3.28Å; N185-H187 PolarHBondContact O-N 2.87Å; H187-K189 PolarHBondContact O-N 3.37Å; H187-F190 AromaticContact CD2-CD1 3.95Å; H187-F190 WeakPolarHBondContact O-CB 3.15Å; H187-F190 PolarHBondContact O-N 3.45Å; H187-F190 VanDerWaalsContact O-N 3.15Å; H187-I191 WeakPolarHBondContact O-CG1 3.41Å; H187-I191 PolarHBondContact O-N 3.09Å; H187-Y231 HydrophobicContact CB-CE2 4.26Å; H187-Y231 AromaticContact ND1-CD2 3.8Å; H187-Y231 AromaticContact ND1-CE2 3.71Å; H187-E234 IonicContact CE1-OE2 3.31Å; H187-E234 PolarHBondContact CE1-OE2 3.46Å; H187-E234 VanDerWaalsContact CE1-OE2 3.26Å; H187-E234 IonicContact NE2-OE2 3.24Å; H187-Y235 AromaticContact CE1-CE2 3.56Å; H187-Y235 AromaticContact ND1-CE2 3.32Å; H187-Y235 VanDerWaalsContact ND1-CE2 3.32Å; H187-Y235 WeakPolarHBondContact ND1-CE2 3.46Å; H187-Y235 AromaticContact ND1-CZ 3.99Å
188L94.3Very high93.5Very high5 Ų571 Ų713%0.02636%0.364CS..Hα-helixtrans-59.8-39.1173.9-177.764.7000111.1F178 A184 N185 I191 Q192 L203 M224 A227 L228F178-L188 HydrophobicContact CD1-CB 4Å; F178-L188 HydrophobicContact CD1-CD2 3.82Å; F178-L188 HydrophobicContact CD1-CG 4.5Å; F178-L188 HydrophobicContact CD2-CD2 4.1Å; F178-L188 HydrophobicContact CE1-CB 3.69Å; F178-L188 HydrophobicContact CE1-CD1 4.42Å; F178-L188 HydrophobicContact CE1-CD2 3.86Å; F178-L188 HydrophobicContact CE1-CG 4.2Å; F178-L188 HydrophobicContact CE2-CD2 4.14Å; F178-L188 HydrophobicContact CG-CD2 3.96Å; F178-L188 HydrophobicContact CZ-CB 4.38Å; F178-L188 HydrophobicContact CZ-CD1 4.28Å; F178-L188 HydrophobicContact CZ-CD2 4.02Å; F178-L188 HydrophobicContact CZ-CG 4.46Å; A184-L188 WeakPolarHBondContact O-CB 3.25Å; A184-L188 PolarHBondContact O-N 2.9Å; N185-L188 PolarHBondContact O-N 3.44Å; L188-I191 PolarHBondContact O-N 3.41Å; L188-Q192 WeakPolarHBondContact O-CG 3.49Å; L188-Q192 PolarHBondContact O-N 2.85Å; L188-Q192 VanDerWaalsContact O-N 3.13Å; L188-Q192 PolarHBondContact O-NE2 3.14Å; L188-L203 HydrophobicContact CD2-CD1 3.96Å; L188-M224 HydrophobicContact CD2-SD 4.39Å; L188-A227 HydrophobicContact CD1-CB 3.93Å; L188-L228 HydrophobicContact CD1-CD2 4.18Å; L188-L228 HydrophobicContact CD2-CD2 4.48Å
189K93.9Very high93Very high92 Ų9278.1 Ų78.140%0.440%0.402SS..Hα-helixtrans-64.2-44.3174-171.9175.8174.7-179.90111.8N185 D186 H187 I191 Q192 E193 P200N185-K189 WeakPolarHBondContact O-CB 3.31Å; N185-K189 PolarHBondContact O-N 2.84Å; D186-K189 PolarHBondContact O-N 2.92Å; H187-K189 PolarHBondContact O-N 3.37Å; K189-I191 VanDerWaalsContact C-N 3.34Å; K189-I191 PolarHBondContact O-N 3.17Å; K189-Q192 PolarHBondContact O-N 3.03Å; K189-E193 WeakPolarHBondContact CE-OE1 3.17Å; K189-E193 IonicContact NZ-OE1 2.89Å; K189-E193 PolarHBondContact O-N 3.48Å; K189-P200 HydrophobicContact CG-CB 3.99Å
190F94.3Very high92.5Very high94 Ų9477.2 Ų77.241%0.41239%0.39SS..Hα-helixtrans-58.3-43174173.8-92.7000112.3D186 H187 Q192 E193 I194 R195D186-F190 PolarHBondContact O-N 3.43Å; H187-F190 AromaticContact CD2-CD1 3.95Å; H187-F190 WeakPolarHBondContact O-CB 3.15Å; H187-F190 PolarHBondContact O-N 3.45Å; H187-F190 VanDerWaalsContact O-N 3.15Å; F190-Q192 VanDerWaalsContact C-N 3.33Å; F190-Q192 PolarHBondContact O-N 2.68Å; F190-E193 PolarHBondContact O-N 3.35Å; F190-I194 HydrophobicContact CD2-CB 4.12Å; F190-I194 HydrophobicContact CD2-CG1 3.6Å; F190-I194 HydrophobicContact CE1-CB 4.47Å; F190-I194 HydrophobicContact CE2-CB 3.87Å; F190-I194 HydrophobicContact CE2-CG1 3.59Å; F190-I194 HydrophobicContact CE2-CG2 3.96Å; F190-I194 HydrophobicContact CG-CG1 4.32Å; F190-I194 HydrophobicContact CZ-CB 4.05Å; F190-I194 HydrophobicContact CZ-CG1 4.29Å; F190-I194 HydrophobicContact CZ-CG2 3.9Å; F190-I194 VanDerWaalsContact O-CB 3.3Å; F190-I194 WeakPolarHBondContact O-CB 3.48Å; F190-I194 PolarHBondContact O-N 3.39Å; F190-R195 HydrophobicContact CE1-CG 4.45Å
191I94.3Very high92.1Very high0 Ų074 Ų740%037%0.367CS..Iπ-helixtrans-60.1-44.5176.4-68.6169.4000110.6H187 L188 K189 R195 L196 A227 L230 Y231H187-I191 WeakPolarHBondContact O-CG1 3.41Å; H187-I191 PolarHBondContact O-N 3.09Å; L188-I191 PolarHBondContact O-N 3.41Å; K189-I191 VanDerWaalsContact C-N 3.34Å; K189-I191 PolarHBondContact O-N 3.17Å; I191-R195 HydrophobicContact CG2-CB 4.47Å; I191-R195 WeakPolarHBondContact O-CA 3.34Å; I191-R195 WeakPolarHBondContact O-CB 3.34Å; I191-R195 PolarHBondContact O-N 2.9Å; I191-R195 VanDerWaalsContact O-N 3.12Å; I191-L196 HydrophobicContact CG2-CD1 4.3Å; I191-L196 HydrophobicContact CG2-CG 4.44Å; I191-L196 PolarHBondContact O-N 3.02Å; I191-A227 HydrophobicContact CG2-CB 4.06Å; I191-L230 HydrophobicContact CG2-CB 3.97Å; I191-L230 HydrophobicContact CG2-CD1 3.78Å; I191-Y231 HydrophobicContact CD1-CD2 3.99Å; I191-Y231 HydrophobicContact CD1-CG 4.38Å
192Q93.6Very high91.9Very high13 Ų1377.5 Ų77.56%0.06139%0.387CS..Iπ-helixtrans-62.8-51179.3-70.1176.690.700112.3L188 K189 F190 L196 T197 R198 C201 A227L188-Q192 WeakPolarHBondContact O-CG 3.49Å; L188-Q192 PolarHBondContact O-N 2.85Å; L188-Q192 VanDerWaalsContact O-N 3.13Å; L188-Q192 PolarHBondContact O-NE2 3.14Å; K189-Q192 PolarHBondContact O-N 3.03Å; F190-Q192 VanDerWaalsContact C-N 3.33Å; F190-Q192 PolarHBondContact O-N 2.68Å; Q192-L196 CarbonylContact O-C 3.54Å; Q192-T197 PolarHBondContact O-N 3.44Å; Q192-T197 VanDerWaalsContact O-N 3.14Å; Q192-R198 PolarHBondContact O-N 3.44Å; Q192-C201 PolarHBondContact NE2-O 3.16Å; Q192-C201 PolarHBondContact OE1-O 2.99Å; Q192-A227 HydrophobicContact CG-CB 3.88Å
193E94.1Very high91.9Very high79 Ų7970.9 Ų70.937%0.36936%0.359SS..Iπ-helixtrans-74.7-44.9-173.6-69.8175.8175.400112.2K189 F190 T197 P200K189-E193 WeakPolarHBondContact CE-OE1 3.17Å; K189-E193 IonicContact NZ-OE1 2.89Å; K189-E193 PolarHBondContact O-N 3.48Å; F190-E193 PolarHBondContact O-N 3.35Å; E193-T197 WeakPolarHBondContact O-CA 3.45Å; E193-P200 HydrophobicContact CG-CB 4.15Å; E193-P200 HydrophobicContact CG-CG 4.23Å; E193-P200 VanDerWaalsContact OE1-CG 3.27Å; E193-P200 WeakPolarHBondContact OE1-CG 3.46Å
194I93.3Very high91.8Very high103 Ų10366.5 Ų66.553%0.52834%0.34SS..Iπ-helixtrans-97-45.4-168.2-54.5-57.1000112F190F190-I194 HydrophobicContact CD2-CB 4.12Å; F190-I194 HydrophobicContact CD2-CG1 3.6Å; F190-I194 HydrophobicContact CE1-CB 4.47Å; F190-I194 HydrophobicContact CE2-CB 3.87Å; F190-I194 HydrophobicContact CE2-CG1 3.59Å; F190-I194 HydrophobicContact CE2-CG2 3.96Å; F190-I194 HydrophobicContact CG-CG1 4.32Å; F190-I194 HydrophobicContact CZ-CB 4.05Å; F190-I194 HydrophobicContact CZ-CG1 4.29Å; F190-I194 HydrophobicContact CZ-CG2 3.9Å; F190-I194 VanDerWaalsContact O-CB 3.3Å; F190-I194 WeakPolarHBondContact O-CB 3.48Å; F190-I194 PolarHBondContact O-N 3.39Å
195R91.1Very high91.7Very high107 Ų10770.7 Ų70.740%0.40437%0.367SS..Iπ-helixtrans-83.6-39.6-177-60-168.1-174.8-176.55.8112.1F190 I191 L230 E234F190-R195 HydrophobicContact CE1-CG 4.45Å; I191-R195 HydrophobicContact CG2-CB 4.47Å; I191-R195 WeakPolarHBondContact O-CA 3.34Å; I191-R195 WeakPolarHBondContact O-CB 3.34Å; I191-R195 PolarHBondContact O-N 2.9Å; I191-R195 VanDerWaalsContact O-N 3.12Å; R195-L230 HydrophobicContact CB-CD1 4.43Å; R195-E234 IonicContact CZ-OE1 3.95Å; R195-E234 VanDerWaalsContact CZ-OE1 3.31Å; R195-E234 IonicContact NH1-OE1 2.74Å; R195-E234 PolarHBondContact NH1-OE1 2.99Å; R195-E234 IonicContact NH2-OE1 2.86Å; R195-E234 PolarHBondContact NH2-OE1 3.14Å; R195-E234 IonicContact NH2-OE2 3.82Å
196L92.5Very high91.6Very high38 Ų3872 Ų7220%0.19937%0.367CS..SBendtrans-99-10.7-177.2-64.4177.5000113.9I191 Q192 R198 D226 A227 L230I191-L196 HydrophobicContact CG2-CD1 4.3Å; I191-L196 HydrophobicContact CG2-CG 4.44Å; I191-L196 PolarHBondContact O-N 3.02Å; Q192-L196 CarbonylContact O-C 3.54Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 HydrophobicContact CB-CG 4.41Å; L196-R198 PolarHBondContact O-N 2.89Å; L196-D226 HydrophobicContact CD1-CB 4Å; L196-D226 HydrophobicContact CD2-CB 4.36Å; L196-A227 HydrophobicContact CD1-CB 3.69Å; L196-L230 HydrophobicContact CD1-CD1 4.41Å; L196-L230 HydrophobicContact CD2-CD1 3.75Å; L196-L230 HydrophobicContact CG-CD1 4.02Å
197T91.7Very high91.2Very high125 Ų12570.2 Ų70.277%0.76736%0.358SS*.  trans52.942.6-179.356.80000113Q192 E193Q192-T197 PolarHBondContact O-N 3.44Å; Q192-T197 VanDerWaalsContact O-N 3.14Å; E193-T197 WeakPolarHBondContact O-CA 3.45Å
198R88.8Confident90.6Very high131 Ų13173.5 Ų73.549%0.49438%0.382SS..  trans-117.7154.1178.2-68.9-177.7-178.2162.16.1110.5Q192 L196 D226Q192-R198 PolarHBondContact O-N 3.44Å; L196-R198 VanDerWaalsContact C-N 3.26Å; L196-R198 HydrophobicContact CB-CG 4.41Å; L196-R198 PolarHBondContact O-N 2.89Å; R198-D226 IonicContact CZ-OD2 3.86Å; R198-D226 IonicContact NH1-OD2 3.76Å; R198-D226 PolarHBondContact NH1-OD2 2.79Å; R198-D226 IonicContact NH2-OD2 2.63Å; R198-D226 PolarHBondContact NH2-OD2 2.72Å; R198-D226 VanDerWaalsContact NH2-OD2 3.11Å
199D85.9Confident89.6Confident153 Ų15376.9 Ų76.982%0.81841%0.405SS*.PPolyproline II helixtrans-60.9133.9169.8-69.3-37000110C201D199-C201 PolarHBondContact O-N 3.23Å
200P81.8Confident89.1Confident60 Ų6074.7 Ų74.739%0.3940%0.396SS..PPolyproline II helixtrans-65.2125-175.928.5-37.4000110.6K189 E193K189-P200 HydrophobicContact CG-CB 3.99Å; E193-P200 HydrophobicContact CG-CB 4.15Å; E193-P200 HydrophobicContact CG-CG 4.23Å; E193-P200 VanDerWaalsContact OE1-CG 3.27Å; E193-P200 WeakPolarHBondContact OE1-CG 3.46Å
201C86.2Confident88.9Confident30 Ų3073.4 Ų73.420%0.20339%0.388CS..PPolyproline II helixtrans-104147.9173.3-178.80000110.5Q192 D199 R223Q192-C201 PolarHBondContact NE2-O 3.16Å; Q192-C201 PolarHBondContact OE1-O 2.99Å; D199-C201 PolarHBondContact O-N 3.23Å; C201-R223 PolarHBondContact SG-NE 3.41Å; C201-R223 PolarHBondContact SG-NH2 2.78Å
202T89.4Confident88.8Confident113 Ų11373.8 Ų73.869%0.69339%0.391SS*.PPolyproline II helixtrans-97.1145.3174.255.50000111.7
203L93.5Very high88.7Confident24 Ų2473.4 Ų73.413%0.12639%0.389CS..PPolyproline II helixtrans-70.7134.6166.6-72.9161.9000109.6V175 F178 L188 V221 M224V175-L203 HydrophobicContact CG1-CB 4.22Å; V175-L203 HydrophobicContact CG2-CB 4.08Å; V175-L203 HydrophobicContact CG2-CD2 4.03Å; V175-L203 HydrophobicContact CG2-CG 4.43Å; F178-L203 HydrophobicContact CB-CD1 3.78Å; F178-L203 HydrophobicContact CD2-CD1 3.42Å; F178-L203 VanDerWaalsContact CD2-CD1 3.42Å; F178-L203 HydrophobicContact CE2-CD1 4.29Å; F178-L203 HydrophobicContact CG-CD1 3.83Å; L188-L203 HydrophobicContact CD2-CD1 3.96Å; L203-V221 HydrophobicContact CD2-CG2 3.81Å; L203-M224 HydrophobicContact CB-CE 4.12Å; L203-M224 HydrophobicContact CD2-CE 3.16Å; L203-M224 HydrophobicContact CD2-SD 3.93Å; L203-M224 HydrophobicContact CG-CE 3.42Å; L203-M224 VanDerWaalsContact CG-CE 3.42Å; L203-M224 HydrophobicContact CG-SD 3.81Å
204T93.7Very high88.8Confident43 Ų4370 Ų7026%0.26438%0.375SS..PPolyproline II helixtrans-85.4119.9178.5-55.80000108.8Q216 S220T204-Q216 HydrophobicContact CG2-CB 4.42Å; T204-S220 PolarHBondContact N-OG 2.83Å; T204-S220 VanDerWaalsContact N-OG 3.15Å
205P91.8Very high89Confident89 Ų8965.4 Ų65.458%0.57835%0.351SS*.PPolyproline II helixtrans-67151176.529.1-34.1000111.3D207P205-D207 PolarHBondContact O-N 2.58Å
206Y92.1Very high89.2Confident98 Ų9863.4 Ų63.438%0.38435%0.346SS..PPolyproline II helixtrans-71.9123.6171.5178.6-103.3000110.5K172 P208 S213 A214K172-Y206 HydrophobicContact CD-CD1 4.49Å; Y206-P208 HydrophobicContact CE1-CB 3.98Å; Y206-S213 WeakPolarHBondContact CD2-OG 3.37Å; Y206-S213 WeakPolarHBondContact CE2-OG 3.38Å; Y206-A214 HydrophobicContact CD2-CB 4.47Å; Y206-A214 HydrophobicContact CE2-CB 4.12Å
207D85.4Confident89.4Confident47 Ų4761.6 Ų61.625%0.25134%0.336SS..  trans-112.2110.8173.4-178.7-6.9000109.2P205 C209 Q210 S213 R466P205-D207 PolarHBondContact O-N 2.58Å; D207-C209 PolarHBondContact O-N 3.45Å; D207-C209 VanDerWaalsContact OD1-CB 3.31Å; D207-C209 WeakPolarHBondContact OD1-CB 3.46Å; D207-C209 PolarHBondContact OD1-N 3.31Å; D207-Q210 HydrophobicContact CB-CB 4.1Å; D207-Q210 PolarHBondContact O-N 3.44Å; D207-Q210 VanDerWaalsContact O-N 3.16Å; D207-S213 WeakPolarHBondContact O-CB 3.27Å; D207-S213 PolarHBondContact O-OG 3.06Å; D207-R466 IonicContact OD2-NH2 3.52Å; D207-R466 PolarHBondContact OD2-NH2 2.9Å
208P81.4Confident89.6Confident100 Ų10055.7 Ų55.765%0.64930%0.3SS*.THydrogen-bonded Turntrans-64.9-18.9-179.828.4-35.1000113.3Y206Y206-P208 HydrophobicContact CE1-CB 3.98Å
209C73.3Confident90Very high75 Ų7551.5 Ų51.551%0.50729%0.291SS..THydrogen-bonded Turntrans-83.5-14.4178.4-61.60000112.9D207D207-C209 PolarHBondContact O-N 3.45Å; D207-C209 VanDerWaalsContact OD1-CB 3.31Å; D207-C209 WeakPolarHBondContact OD1-CB 3.46Å; D207-C209 PolarHBondContact OD1-N 3.31Å
210Q83.6Confident90.4Very high47 Ų4744.3 Ų44.322%0.2225%0.253CS..SBendtrans-102.3122.1-178.6-176.2-177-8.800111D207 N212 S213D207-Q210 HydrophobicContact CB-CB 4.1Å; D207-Q210 PolarHBondContact O-N 3.44Å; D207-Q210 VanDerWaalsContact O-N 3.16Å; Q210-N212 VanDerWaalsContact C-N 3.26Å; Q210-N212 WeakPolarHBondContact CG-OD1 3.29Å; Q210-N212 PolarHBondContact NE2-OD1 3.05Å; Q210-N212 PolarHBondContact O-N 3.34Å; Q210-N212 VanDerWaalsContact O-N 3.09Å; Q210-S213 WeakPolarHBondContact O-CB 3.08Å; Q210-S213 PolarHBondContact O-N 3.04Å; Q210-S213 VanDerWaalsContact O-N 3.13Å; Q210-S213 PolarHBondContact O-OG 2.57Å; Q210-S213 VanDerWaalsContact O-OG 3.08Å
211W88.9Confident91.1Very high66 Ų6641.5 Ų41.525%0.2523%0.234CC..THydrogen-bonded Turntrans-58.2-28.7-169.973.7-86.9000115.6Q151 V154 M255 E259 I262Q151-W211 HydrophobicContact CB-CB 4.29Å; Q151-W211 HydrophobicContact CG-CB 3.85Å; Q151-W211 HydrophobicContact CG-CD2 3.75Å; Q151-W211 HydrophobicContact CG-CE3 4.02Å; Q151-W211 HydrophobicContact CG-CG 3.66Å; V154-W211 HydrophobicContact CB-CZ3 4.46Å; V154-W211 HydrophobicContact CG1-CE3 4.47Å; V154-W211 HydrophobicContact CG1-CZ3 4.26Å; V154-W211 HydrophobicContact CG2-CZ3 4.21Å; W211-M255 HydrophobicContact CH2-CE 4.23Å; W211-M255 HydrophobicContact CZ3-CE 3.81Å; W211-E259 HydrophobicContact CH2-CB 4.42Å; W211-E259 HydrophobicContact CH2-CG 3.68Å; W211-E259 HydrophobicContact CZ2-CG 4.06Å; W211-I262 HydrophobicContact CD2-CD1 4.13Å; W211-I262 HydrophobicContact CE3-CD1 4.05Å; W211-I262 HydrophobicContact CH2-CD1 3.37Å; W211-I262 HydrophobicContact CZ2-CB 4.17Å; W211-I262 HydrophobicContact CZ2-CD1 3.44Å; W211-I262 VanDerWaalsContact CZ2-CD1 3.44Å; W211-I262 HydrophobicContact CZ2-CG1 4.38Å; W211-I262 HydrophobicContact CZ2-CG2 4.08Å; W211-I262 HydrophobicContact CZ3-CD1 3.67Å
212N92.4Very high91.6Very high9 Ų943 Ų435%0.04824%0.238CC..THydrogen-bonded Turntrans-111.611.8-178.764.3-20.8000114Q210 A214 F215 Q216 E259Q210-N212 VanDerWaalsContact C-N 3.26Å; Q210-N212 WeakPolarHBondContact CG-OD1 3.29Å; Q210-N212 PolarHBondContact NE2-OD1 3.05Å; Q210-N212 PolarHBondContact O-N 3.34Å; Q210-N212 VanDerWaalsContact O-N 3.09Å; N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 3.01Å; N212-F215 HydrophobicContact CB-CD2 4.44Å; N212-F215 PolarHBondContact O-N 3.48Å; N212-Q216 PolarHBondContact ND2-NE2 2.99Å; N212-Q216 VanDerWaalsContact ND2-NE2 3.1Å; N212-Q216 PolarHBondContact O-N 3.13Å; N212-E259 PolarHBondContact ND2-OE1 3.22Å
213S92.9Very high91.8Very high4 Ų445 Ų453%0.02823%0.233CC..Hα-helixtrans-58.4-37.6-174.660.10000113.7Y206 D207 Q210 F215 Q216 M217Y206-S213 WeakPolarHBondContact CD2-OG 3.37Å; Y206-S213 WeakPolarHBondContact CE2-OG 3.38Å; D207-S213 WeakPolarHBondContact O-CB 3.27Å; D207-S213 PolarHBondContact O-OG 3.06Å; Q210-S213 WeakPolarHBondContact O-CB 3.08Å; Q210-S213 PolarHBondContact O-N 3.04Å; Q210-S213 VanDerWaalsContact O-N 3.13Å; Q210-S213 PolarHBondContact O-OG 2.57Å; Q210-S213 VanDerWaalsContact O-OG 3.08Å; S213-F215 VanDerWaalsContact C-N 3.33Å; S213-F215 PolarHBondContact O-N 3.43Å; S213-Q216 PolarHBondContact O-N 3.47Å; S213-M217 WeakPolarHBondContact O-CB 3.22Å; S213-M217 PolarHBondContact O-N 2.87Å
214A95.1Very high91.7Very high8 Ų844.1 Ų44.17%0.06623%0.228CC..Hα-helixtrans-58.2-45.5175.500000111.6L158 Y206 N212 M218L158-A214 HydrophobicContact CD2-CB 4.22Å; Y206-A214 HydrophobicContact CD2-CB 4.47Å; Y206-A214 HydrophobicContact CE2-CB 4.12Å; N212-A214 VanDerWaalsContact C-N 3.29Å; N212-A214 PolarHBondContact O-N 3.01Å; A214-M218 VanDerWaalsContact O-CG 3.3Å; A214-M218 WeakPolarHBondContact O-CG 3.34Å; A214-M218 PolarHBondContact O-N 3.08Å
215F96.6Very high91.8Very high6 Ų645.6 Ų45.63%0.02623%0.231CC..Hα-helixtrans-70.6-44.2179.8-55.8-75000111.5V154 L158 L164 N212 S213 M217 M218 S219 C251 M255 F302V154-F215 HydrophobicContact CG1-CD2 4.4Å; V154-F215 HydrophobicContact CG1-CE2 3.43Å; V154-F215 VanDerWaalsContact CG1-CE2 3.43Å; V154-F215 HydrophobicContact CG1-CZ 3.89Å; L158-F215 HydrophobicContact CB-CZ 4.29Å; L158-F215 HydrophobicContact CD1-CE1 4.49Å; L158-F215 HydrophobicContact CD1-CZ 4.29Å; L158-F215 HydrophobicContact CD2-CE2 4.27Å; L158-F215 HydrophobicContact CD2-CZ 4.02Å; L158-F215 HydrophobicContact CG-CZ 4.43Å; L164-F215 HydrophobicContact CD2-CE1 4.44Å; N212-F215 HydrophobicContact CB-CD2 4.44Å; N212-F215 PolarHBondContact O-N 3.48Å; S213-F215 VanDerWaalsContact C-N 3.33Å; S213-F215 PolarHBondContact O-N 3.43Å; F215-M217 VanDerWaalsContact C-N 3.28Å; F215-M217 PolarHBondContact O-N 3.27Å; F215-M218 HydrophobicContact CD1-CE 3.5Å; F215-M218 VanDerWaalsContact CD1-CE 3.5Å; F215-M218 HydrophobicContact CE1-CE 4.02Å; F215-M218 HydrophobicContact CG-CE 4.25Å; F215-M218 PolarHBondContact O-N 2.67Å; F215-S219 PolarHBondContact O-N 2.99Å; F215-S219 PolarHBondContact O-OG 2.95Å; F215-C251 VanDerWaalsContact CD1-SG 3.57Å; F215-C251 VanDerWaalsContact CE1-SG 3.54Å; F215-M255 HydrophobicContact CB-CG 4.44Å; F215-M255 HydrophobicContact CD1-CG 3.52Å; F215-M255 HydrophobicContact CD1-SD 4.24Å; F215-M255 HydrophobicContact CD2-CE 3.79Å; F215-M255 HydrophobicContact CD2-CG 4.25Å; F215-M255 HydrophobicContact CD2-SD 4.2Å; F215-M255 HydrophobicContact CE1-CG 3.69Å; F215-M255 HydrophobicContact CE1-SD 3.94Å; F215-M255 HydrophobicContact CE2-CE 3.85Å; F215-M255 HydrophobicContact CE2-CG 4.41Å; F215-M255 HydrophobicContact CE2-SD 3.92Å; F215-M255 HydrophobicContact CG-CE 4.24Å; F215-M255 HydrophobicContact CG-CG 3.81Å; F215-M255 HydrophobicContact CG-SD 4.35Å; F215-M255 HydrophobicContact CZ-CE 4.33Å; F215-M255 HydrophobicContact CZ-CG 4.14Å; F215-M255 HydrophobicContact CZ-SD 3.77Å; F215-F302 HydrophobicContact CE1-CE1 4.43Å; F215-F302 HydrophobicContact CE1-CE2 4.47Å; F215-F302 AromaticContact CE1-CZ 3.9Å; F215-F302 HydrophobicContact CE1-CZ 3.9Å; F215-F302 HydrophobicContact CZ-CE2 4.21Å; F215-F302 AromaticContact CZ-CZ 3.78Å; F215-F302 HydrophobicContact CZ-CZ 3.78Å
216Q95.4Very high91.8Very high65 Ų6544.7 Ų44.730%0.30422%0.221SC..Hα-helixtrans-60-39.8175.9-68.8-172.3-2000112.4T204 N212 S213 S220T204-Q216 HydrophobicContact CG2-CB 4.42Å; N212-Q216 PolarHBondContact ND2-NE2 2.99Å; N212-Q216 VanDerWaalsContact ND2-NE2 3.1Å; N212-Q216 PolarHBondContact O-N 3.13Å; S213-Q216 PolarHBondContact O-N 3.47Å; Q216-S220 WeakPolarHBondContact O-CB 3.33Å; Q216-S220 PolarHBondContact O-N 3.28Å
217M97.1Very high91.9Very high0 Ų040.1 Ų40.10%020%0.204CC..Hα-helixtrans-61.9-53.3173.8178.2-172.86500110.6S168 C171 K172 V175 S213 F215 S219 S220 V221S168-M217 WeakPolarHBondContact O-CE 3.27Å; C171-M217 HydrophobicContact CB-CE 4Å; K172-M217 VanDerWaalsContact CA-SD 3.51Å; K172-M217 HydrophobicContact CB-CE 3.92Å; K172-M217 HydrophobicContact CB-SD 3.78Å; K172-M217 HydrophobicContact CG-SD 4.26Å; V175-M217 HydrophobicContact CG2-CG 3.84Å; V175-M217 HydrophobicContact CG2-SD 4.35Å; S213-M217 WeakPolarHBondContact O-CB 3.22Å; S213-M217 PolarHBondContact O-N 2.87Å; F215-M217 VanDerWaalsContact C-N 3.28Å; F215-M217 PolarHBondContact O-N 3.27Å; M217-S219 PolarHBondContact O-N 3.48Å; M217-S220 WeakPolarHBondContact O-CB 3.45Å; M217-S220 PolarHBondContact O-N 3.35Å; M217-S220 VanDerWaalsContact O-N 3.1Å; M217-S220 PolarHBondContact O-OG 3.49Å; M217-V221 WeakPolarHBondContact O-CG2 3.41Å; M217-V221 PolarHBondContact O-N 3.01Å
218M97.1Very high92.4Very high1 Ų138.1 Ų38.11%0.00519%0.193CC..Hα-helixtrans-57.5-45.8178.2-71.5-172.7-64.400111.9L164 C171 A214 F215 S220 V221 F222 I248L164-M218 HydrophobicContact CD1-CE 4.37Å; L164-M218 HydrophobicContact CD1-SD 4.31Å; C171-M218 HydrophobicContact CB-CG 4.08Å; A214-M218 VanDerWaalsContact O-CG 3.3Å; A214-M218 WeakPolarHBondContact O-CG 3.34Å; A214-M218 PolarHBondContact O-N 3.08Å; F215-M218 HydrophobicContact CD1-CE 3.5Å; F215-M218 VanDerWaalsContact CD1-CE 3.5Å; F215-M218 HydrophobicContact CE1-CE 4.02Å; F215-M218 HydrophobicContact CG-CE 4.25Å; F215-M218 PolarHBondContact O-N 2.67Å; M218-S220 VanDerWaalsContact C-N 3.31Å; M218-S220 PolarHBondContact O-N 3.28Å; M218-V221 PolarHBondContact O-N 3Å; M218-F222 PolarHBondContact O-N 3.15Å; M218-I248 HydrophobicContact CB-CG2 3.89Å; M218-I248 WeakPolarHBondContact O-CG2 3.41Å
219S95.9Very high92.9Very high43 Ų4336 Ų3630%0.30118%0.18SC..Hα-helixtrans-62.7-36.2176.2-54.20000112.3F215 M217 F222 R223 S252F215-S219 PolarHBondContact O-N 2.99Å; F215-S219 PolarHBondContact O-OG 2.95Å; M217-S219 PolarHBondContact O-N 3.48Å; S219-F222 PolarHBondContact O-N 2.7Å; S219-R223 PolarHBondContact O-N 2.62Å; S219-S252 PolarHBondContact OG-OG 2.8Å
220S95.6Very high93.9Very high3 Ų334.3 Ų34.32%0.02117%0.166CC..Hα-helixtrans-65.3-42.7174.880.50000111.8T204 Q216 M217 M218 R223 M224T204-S220 PolarHBondContact N-OG 2.83Å; T204-S220 VanDerWaalsContact N-OG 3.15Å; Q216-S220 WeakPolarHBondContact O-CB 3.33Å; Q216-S220 PolarHBondContact O-N 3.28Å; M217-S220 WeakPolarHBondContact O-CB 3.45Å; M217-S220 PolarHBondContact O-N 3.35Å; M217-S220 VanDerWaalsContact O-N 3.1Å; M217-S220 PolarHBondContact O-OG 3.49Å; M218-S220 VanDerWaalsContact C-N 3.31Å; M218-S220 PolarHBondContact O-N 3.28Å; S220-R223 PolarHBondContact O-N 3.34Å; S220-M224 WeakPolarHBondContact O-CE 3.45Å; S220-M224 PolarHBondContact O-N 2.77Å
221V96.4Very high94.4Very high0 Ų032.4 Ų32.40%016%0.157CC..Hα-helixtrans-62.4-44.4175.61720000110.3C171 I174 V175 L203 M217 M218 R223 M224 K225 L228 I240 W245C171-V221 HydrophobicContact CB-CG2 4.09Å; I174-V221 HydrophobicContact CD1-CG1 4.24Å; V175-V221 HydrophobicContact CG2-CG2 3.86Å; L203-V221 HydrophobicContact CD2-CG2 3.81Å; M217-V221 WeakPolarHBondContact O-CG2 3.41Å; M217-V221 PolarHBondContact O-N 3.01Å; M218-V221 PolarHBondContact O-N 3Å; V221-R223 PolarHBondContact O-N 2.91Å; V221-M224 CarbonylContact O-C 3.45Å; V221-M224 PolarHBondContact O-N 3.37Å; V221-M224 VanDerWaalsContact O-N 3.1Å; V221-K225 PolarHBondContact O-N 3.36Å; V221-L228 HydrophobicContact CG1-CD1 3.81Å; V221-L228 WeakPolarHBondContact O-CD1 3.37Å; V221-I240 HydrophobicContact CG1-CD1 3.79Å; V221-W245 HydrophobicContact CG1-CH2 3.93Å; V221-W245 HydrophobicContact CG1-CZ3 3.93Å
222F96.1Very high94.5Very high62 Ų6231.9 Ų31.927%0.27216%0.163SC..Hα-helixtrans-60-43.5175.8-177.2-96000113.1M218 S219 M224 K225 W245 I248 D249M218-F222 PolarHBondContact O-N 3.15Å; S219-F222 PolarHBondContact O-N 2.7Å; F222-M224 PolarHBondContact O-N 3.03Å; F222-K225 WeakPolarHBondContact O-CB 3.42Å; F222-K225 PolarHBondContact O-N 2.71Å; F222-W245 AromaticContact CD2-CE3 3.9Å; F222-W245 HydrophobicContact CD2-CE3 3.9Å; F222-W245 WeakPolarHBondContact CD2-O 3.47Å; F222-W245 VanDerWaalsContact CE2-O 3.27Å; F222-W245 WeakPolarHBondContact CE2-O 3.45Å; F222-I248 HydrophobicContact CB-CB 4.49Å; F222-I248 HydrophobicContact CB-CG2 3.64Å; F222-I248 HydrophobicContact CD2-CB 4.3Å; F222-I248 HydrophobicContact CD2-CG2 4.27Å; F222-I248 HydrophobicContact CG-CG2 4.21Å; F222-D249 HydrophobicContact CD2-CB 4.35Å; F222-D249 HydrophobicContact CE1-CB 4.19Å; F222-D249 HydrophobicContact CE2-CB 3.73Å; F222-D249 HydrophobicContact CZ-CB 3.64Å
223R93.9Very high94.4Very high155 Ų15538.4 Ų38.459%0.58519%0.193SC*.Hα-helixtrans-60.1-28.3176-177168.761.1-163.7-3.4112.8C201 S219 S220 V221C201-R223 PolarHBondContact SG-NE 3.41Å; C201-R223 PolarHBondContact SG-NH2 2.78Å; S219-R223 PolarHBondContact O-N 2.62Å; S220-R223 PolarHBondContact O-N 3.34Å; V221-R223 PolarHBondContact O-N 2.91Å
224M91.9Very high94.2Very high5 Ų542.8 Ų42.83%0.02521%0.213CC..THydrogen-bonded Turntrans-96.111.4177.4-80.5173.3-80.900114L188 L203 S220 V221 F222 D226 A227 L228L188-M224 HydrophobicContact CD2-SD 4.39Å; L203-M224 HydrophobicContact CB-CE 4.12Å; L203-M224 HydrophobicContact CD2-CE 3.16Å; L203-M224 HydrophobicContact CD2-SD 3.93Å; L203-M224 HydrophobicContact CG-CE 3.42Å; L203-M224 VanDerWaalsContact CG-CE 3.42Å; L203-M224 HydrophobicContact CG-SD 3.81Å; S220-M224 WeakPolarHBondContact O-CE 3.45Å; S220-M224 PolarHBondContact O-N 2.77Å; V221-M224 CarbonylContact O-C 3.45Å; V221-M224 PolarHBondContact O-N 3.37Å; V221-M224 VanDerWaalsContact O-N 3.1Å; F222-M224 PolarHBondContact O-N 3.03Å; M224-D226 VanDerWaalsContact C-N 3.3Å; M224-D226 PolarHBondContact O-N 3.44Å; M224-D226 VanDerWaalsContact O-N 3.17Å; M224-A227 PolarHBondContact O-N 2.67Å; M224-A227 VanDerWaalsContact O-N 3.07Å; M224-L228 HydrophobicContact CB-CD1 3.99Å; M224-L228 HydrophobicContact CB-CG 4.05Å; M224-L228 WeakPolarHBondContact O-CB 3.32Å; M224-L228 VanDerWaalsContact O-CG 3.3Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L228 PolarHBondContact O-N 2.91Å
225K93.9Very high94Very high74 Ų7446.6 Ų46.632%0.32223%0.226SC..Hα-helixtrans-45.8-50.2-178.4177.1-179.2178.4-176.80113.4V221 F222 L228 S229 W245V221-K225 PolarHBondContact O-N 3.36Å; F222-K225 WeakPolarHBondContact O-CB 3.42Å; F222-K225 PolarHBondContact O-N 2.71Å; K225-L228 PolarHBondContact O-N 3.22Å; K225-S229 WeakPolarHBondContact O-CB 3.47Å; K225-S229 PolarHBondContact O-N 3.16Å; K225-S229 PolarHBondContact O-OG 2.83Å; K225-W245 HydrophobicContact CB-CE3 4.25Å; K225-W245 HydrophobicContact CB-CH2 4.12Å; K225-W245 HydrophobicContact CB-CZ2 4.43Å; K225-W245 HydrophobicContact CB-CZ3 4.05Å; K225-W245 HydrophobicContact CD-CB 4.42Å; K225-W245 HydrophobicContact CD-CD2 3.82Å; K225-W245 HydrophobicContact CD-CE3 4.13Å; K225-W245 HydrophobicContact CD-CG 3.97Å; K225-W245 HydrophobicContact CG-CD2 3.91Å; K225-W245 HydrophobicContact CG-CE3 4.12Å; K225-W245 HydrophobicContact CG-CG 4.49Å; K225-W245 HydrophobicContact CG-CH2 4.18Å; K225-W245 HydrophobicContact CG-CZ2 3.99Å; K225-W245 HydrophobicContact CG-CZ3 4.26Å
226D93.5Very high93.6Very high70 Ų7052.5 Ų52.537%0.37427%0.268SS..Hα-helixtrans-64.1-45.1-177.4-56.5-30.3000111.6L196 R198 M224 S229 L230L196-D226 HydrophobicContact CD1-CB 4Å; L196-D226 HydrophobicContact CD2-CB 4.36Å; R198-D226 IonicContact CZ-OD2 3.86Å; R198-D226 IonicContact NH1-OD2 3.76Å; R198-D226 PolarHBondContact NH1-OD2 2.79Å; R198-D226 IonicContact NH2-OD2 2.63Å; R198-D226 PolarHBondContact NH2-OD2 2.72Å; R198-D226 VanDerWaalsContact NH2-OD2 3.11Å; M224-D226 VanDerWaalsContact C-N 3.3Å; M224-D226 PolarHBondContact O-N 3.44Å; M224-D226 VanDerWaalsContact O-N 3.17Å; D226-S229 PolarHBondContact O-N 3.01Å; D226-L230 PolarHBondContact O-N 2.95Å; D226-L230 VanDerWaalsContact O-N 3.08Å
227A94.1Very high93.4Very high3 Ų351.1 Ų51.13%0.02526%0.263CS..Hα-helixtrans-67.3-41.8-179.200000111.8L188 I191 Q192 L196 M224 S229 L230 Y231L188-A227 HydrophobicContact CD1-CB 3.93Å; I191-A227 HydrophobicContact CG2-CB 4.06Å; Q192-A227 HydrophobicContact CG-CB 3.88Å; L196-A227 HydrophobicContact CD1-CB 3.69Å; M224-A227 PolarHBondContact O-N 2.67Å; M224-A227 VanDerWaalsContact O-N 3.07Å; A227-S229 VanDerWaalsContact C-N 3.35Å; A227-L230 PolarHBondContact O-N 3.44Å; A227-Y231 WeakPolarHBondContact O-CB 3.43Å; A227-Y231 PolarHBondContact O-N 2.87Å
228L94.4Very high93.2Very high5 Ų553 Ų533%0.02627%0.274CS..Hα-helixtrans-64.5-40.6174.9-68.3171000111I174 F178 L188 V221 M224 K225 L230 Y231 C232 L237 W245I174-L228 HydrophobicContact CG2-CD1 4.22Å; I174-L228 HydrophobicContact CG2-CD2 3.89Å; F178-L228 HydrophobicContact CD2-CD2 4.31Å; F178-L228 HydrophobicContact CE2-CD2 3.42Å; F178-L228 VanDerWaalsContact CE2-CD2 3.42Å; F178-L228 HydrophobicContact CZ-CD2 3.92Å; L188-L228 HydrophobicContact CD1-CD2 4.18Å; L188-L228 HydrophobicContact CD2-CD2 4.48Å; V221-L228 HydrophobicContact CG1-CD1 3.81Å; V221-L228 WeakPolarHBondContact O-CD1 3.37Å; M224-L228 HydrophobicContact CB-CD1 3.99Å; M224-L228 HydrophobicContact CB-CG 4.05Å; M224-L228 WeakPolarHBondContact O-CB 3.32Å; M224-L228 VanDerWaalsContact O-CG 3.3Å; M224-L228 WeakPolarHBondContact O-CG 3.24Å; M224-L228 PolarHBondContact O-N 2.91Å; K225-L228 PolarHBondContact O-N 3.22Å; L228-L230 PolarHBondContact O-N 3.42Å; L228-Y231 PolarHBondContact O-N 3.39Å; L228-C232 WeakPolarHBondContact O-CB 3.49Å; L228-C232 PolarHBondContact O-N 3.05Å; L228-C232 PolarHBondContact O-SG 2.82Å; L228-L237 HydrophobicContact CD2-CD2 4.47Å; L228-W245 HydrophobicContact CD1-CH2 4.3Å
229S92.9Very high92.8Very high54 Ų5458.7 Ų58.738%0.37830%0.3SS..Hα-helixtrans-61.3-44.9177.7-56.30000111.3K225 D226 A227 C232 E233K225-S229 WeakPolarHBondContact O-CB 3.47Å; K225-S229 PolarHBondContact O-N 3.16Å; K225-S229 PolarHBondContact O-OG 2.83Å; D226-S229 PolarHBondContact O-N 3.01Å; A227-S229 VanDerWaalsContact C-N 3.35Å; S229-C232 PolarHBondContact O-N 3.48Å; S229-E233 PolarHBondContact O-N 3.14Å
230L93.3Very high92.8Very high40 Ų4057.3 Ų57.321%0.20929%0.29CS..Hα-helixtrans-64.5-40.1175-71.7174.3000112.5I191 R195 L196 D226 A227 L228 C232 E233I191-L230 HydrophobicContact CG2-CB 3.97Å; I191-L230 HydrophobicContact CG2-CD1 3.78Å; R195-L230 HydrophobicContact CB-CD1 4.43Å; L196-L230 HydrophobicContact CD1-CD1 4.41Å; L196-L230 HydrophobicContact CD2-CD1 3.75Å; L196-L230 HydrophobicContact CG-CD1 4.02Å; D226-L230 PolarHBondContact O-N 2.95Å; D226-L230 VanDerWaalsContact O-N 3.08Å; A227-L230 PolarHBondContact O-N 3.44Å; L228-L230 PolarHBondContact O-N 3.42Å; L230-C232 VanDerWaalsContact C-N 3.28Å; L230-C232 PolarHBondContact O-N 3.28Å; L230-E233 WeakPolarHBondContact O-CB 3.35Å; L230-E233 PolarHBondContact O-N 3.43Å
231Y94.1Very high92.7Very high7 Ų762.6 Ų62.63%0.02731%0.31CS..Hα-helixtrans-62.2-39.1176.4-176.3-86.5000111.3H177 F178 A184 H187 I191 A227 L228 E233 E234 Y235H177-Y231 AromaticContact NE2-CE1 3.85Å; H177-Y231 AromaticContact NE2-CZ 3.79Å; H177-Y231 PolarHBondContact NE2-OH 3.14Å; H177-Y231 VanDerWaalsContact NE2-OH 3.15Å; F178-Y231 HydrophobicContact CE1-CD1 4.27Å; F178-Y231 HydrophobicContact CE1-CD2 4.03Å; F178-Y231 HydrophobicContact CE1-CE1 4.06Å; F178-Y231 AromaticContact CE1-CE2 3.8Å; F178-Y231 HydrophobicContact CE1-CE2 3.8Å; F178-Y231 HydrophobicContact CE1-CG 4.27Å; F178-Y231 AromaticContact CE1-CZ 3.84Å; F178-Y231 AromaticContact CZ-CD1 3.73Å; F178-Y231 HydrophobicContact CZ-CD1 3.73Å; F178-Y231 HydrophobicContact CZ-CD2 4.17Å; F178-Y231 AromaticContact CZ-CE1 3.82Å; F178-Y231 HydrophobicContact CZ-CE1 3.82Å; F178-Y231 HydrophobicContact CZ-CE2 4.24Å; F178-Y231 AromaticContact CZ-CG 3.93Å; F178-Y231 HydrophobicContact CZ-CG 3.93Å; A184-Y231 HydrophobicContact CB-CE2 4.39Å; A184-Y231 WeakPolarHBondContact CB-OH 3.4Å; H187-Y231 HydrophobicContact CB-CE2 4.26Å; H187-Y231 AromaticContact ND1-CD2 3.8Å; H187-Y231 AromaticContact ND1-CE2 3.71Å; I191-Y231 HydrophobicContact CD1-CD2 3.99Å; I191-Y231 HydrophobicContact CD1-CG 4.38Å; A227-Y231 WeakPolarHBondContact O-CB 3.43Å; A227-Y231 PolarHBondContact O-N 2.87Å; L228-Y231 PolarHBondContact O-N 3.39Å; Y231-E233 PolarHBondContact O-N 3.19Å; Y231-E234 PolarHBondContact O-N 2.86Å; Y231-Y235 HydrophobicContact CD1-CD2 4.34Å; Y231-Y235 HydrophobicContact CD2-CD2 4.13Å; Y231-Y235 VanDerWaalsContact CE1-CB 3.44Å; Y231-Y235 AromaticContact CE1-CD2 3.99Å; Y231-Y235 HydrophobicContact CE1-CD2 3.99Å; Y231-Y235 AromaticContact CE1-CG 3.86Å; Y231-Y235 HydrophobicContact CE1-CG 3.86Å; Y231-Y235 AromaticContact CE2-CD2 3.77Å; Y231-Y235 HydrophobicContact CE2-CD2 3.77Å; Y231-Y235 HydrophobicContact CE2-CE2 4.2Å; Y231-Y235 HydrophobicContact CE2-CG 4.26Å; Y231-Y235 HydrophobicContact CG-CD2 4.39Å; Y231-Y235 AromaticContact CZ-CD2 3.67Å; Y231-Y235 AromaticContact CZ-CG 3.68Å; Y231-Y235 PolarHBondContact O-N 2.9Å
232C92.3Very high92.6Very high55 Ų5567.3 Ų67.337%0.37234%0.34SS..Hα-helixtrans-67.8-15.7178.7-70.40000114.5L228 S229 L230 E234 Y235L228-C232 WeakPolarHBondContact O-CB 3.49Å; L228-C232 PolarHBondContact O-N 3.05Å; L228-C232 PolarHBondContact O-SG 2.82Å; S229-C232 PolarHBondContact O-N 3.48Å; L230-C232 VanDerWaalsContact C-N 3.28Å; L230-C232 PolarHBondContact O-N 3.28Å; C232-E234 VanDerWaalsContact C-N 3.29Å; C232-Y235 WeakPolarHBondContact CA-O 3.28Å
233E89.8Confident92.5Very high146 Ų14668.9 Ų68.968%0.68235%0.352SS*.Hα-helixtrans-69.1-31.4173.3-65.7178179.400111.8S229 L230 Y231S229-E233 PolarHBondContact O-N 3.14Å; L230-E233 WeakPolarHBondContact O-CB 3.35Å; L230-E233 PolarHBondContact O-N 3.43Å; Y231-E233 PolarHBondContact O-N 3.19Å
234E88.9Confident92.6Very high97 Ų9762.7 Ų62.745%0.45333%0.33SS..Hα-helixtrans-103.6-25.9-176.2-65.5177.9-157.600112.7H187 R195 Y231 C232H187-E234 IonicContact CE1-OE2 3.31Å; H187-E234 PolarHBondContact CE1-OE2 3.46Å; H187-E234 VanDerWaalsContact CE1-OE2 3.26Å; H187-E234 IonicContact NE2-OE2 3.24Å; R195-E234 IonicContact CZ-OE1 3.95Å; R195-E234 VanDerWaalsContact CZ-OE1 3.31Å; R195-E234 IonicContact NH1-OE1 2.74Å; R195-E234 PolarHBondContact NH1-OE1 2.99Å; R195-E234 IonicContact NH2-OE1 2.86Å; R195-E234 PolarHBondContact NH2-OE1 3.14Å; R195-E234 IonicContact NH2-OE2 3.82Å; Y231-E234 PolarHBondContact O-N 2.86Å; C232-E234 VanDerWaalsContact C-N 3.29Å
235Y90.9Very high92.8Very high88 Ų8863.4 Ų63.435%0.34533%0.332SS..SBendtrans-131.8141.4-174-60.6-88.7000112H187 Y231 C232 L237H187-Y235 AromaticContact CE1-CE2 3.56Å; H187-Y235 AromaticContact ND1-CE2 3.32Å; H187-Y235 VanDerWaalsContact ND1-CE2 3.32Å; H187-Y235 WeakPolarHBondContact ND1-CE2 3.46Å; H187-Y235 AromaticContact ND1-CZ 3.99Å; Y231-Y235 HydrophobicContact CD1-CD2 4.34Å; Y231-Y235 HydrophobicContact CD2-CD2 4.13Å; Y231-Y235 VanDerWaalsContact CE1-CB 3.44Å; Y231-Y235 AromaticContact CE1-CD2 3.99Å; Y231-Y235 HydrophobicContact CE1-CD2 3.99Å; Y231-Y235 AromaticContact CE1-CG 3.86Å; Y231-Y235 HydrophobicContact CE1-CG 3.86Å; Y231-Y235 AromaticContact CE2-CD2 3.77Å; Y231-Y235 HydrophobicContact CE2-CD2 3.77Å; Y231-Y235 HydrophobicContact CE2-CE2 4.2Å; Y231-Y235 HydrophobicContact CE2-CG 4.26Å; Y231-Y235 HydrophobicContact CG-CD2 4.39Å; Y231-Y235 AromaticContact CZ-CD2 3.67Å; Y231-Y235 AromaticContact CZ-CG 3.68Å; Y231-Y235 PolarHBondContact O-N 2.9Å; C232-Y235 WeakPolarHBondContact CA-O 3.28Å; Y235-L237 PolarHBondContact O-N 3.33Å
236S88.7Confident92.9Very high129 Ų12964.6 Ų64.690%0.90234%0.341SS*.  trans-73.5121.6174-53.80000111.2
237L90.7Very high93.1Very high37 Ų3762.6 Ų62.619%0.19433%0.329CS..  trans-134.7164.4174.9-16764.3000109.3I174 H177 F178 L228 Y235 Q239I174-L237 HydrophobicContact CB-CD2 4.45Å; I174-L237 HydrophobicContact CG1-CD1 4.48Å; I174-L237 HydrophobicContact CG1-CD2 3.94Å; I174-L237 HydrophobicContact CG1-CG 4.04Å; I174-L237 HydrophobicContact CG2-CD2 4.1Å; H177-L237 HydrophobicContact CB-CD1 3.89Å; F178-L237 HydrophobicContact CE2-CD2 3.96Å; F178-L237 HydrophobicContact CZ-CD2 4.36Å; L228-L237 HydrophobicContact CD2-CD2 4.47Å; Y235-L237 PolarHBondContact O-N 3.33Å; L237-Q239 PolarHBondContact O-N 3.17Å
238V92.1Very high93.2Very high39 Ų3962.5 Ų62.524%0.23633%0.328CS..  trans-57.7127.2171.61790000109.9K170 Q173 I174K170-V238 HydrophobicContact CB-CG1 3.78Å; K170-V238 HydrophobicContact CD-CG1 4.2Å; K170-V238 HydrophobicContact CG-CG1 3.73Å; Q173-V238 HydrophobicContact CB-CG2 3.78Å; Q173-V238 HydrophobicContact CG-CG2 4.44Å; Q173-V238 VanDerWaalsContact OE1-CG2 3.3Å; I174-V238 HydrophobicContact CG1-CB 4.41Å
239Q90.2Very high93.3Very high120 Ų12064.4 Ų64.456%0.56134%0.339SS*.  trans-84.3131.3-177.2-169171.19.200111.6L237 Y241L237-Q239 PolarHBondContact O-N 3.17Å; Q239-Y241 HydrophobicContact CG-CE1 4.29Å
240I94.8Very high93.5Very high15 Ų1562.7 Ų62.78%0.07733%0.325CS..  trans-104.5122.6166.6-61.1178.7000107.8L167 I174 V221 E244 W245 I248L167-I240 HydrophobicContact CD1-CG2 4.48Å; I174-I240 HydrophobicContact CD1-CD1 3.5Å; I174-I240 VanDerWaalsContact CD1-CD1 3.5Å; I174-I240 HydrophobicContact CD1-CG1 3.93Å; V221-I240 HydrophobicContact CG1-CD1 3.79Å; I240-E244 WeakPolarHBondContact CA-OE2 3.2Å; I240-E244 HydrophobicContact CG2-CB 3.64Å; I240-W245 HydrophobicContact CB-CD2 4.24Å; I240-W245 HydrophobicContact CB-CH2 4.24Å; I240-W245 HydrophobicContact CB-CZ2 3.65Å; I240-W245 HydrophobicContact CD1-CH2 3.65Å; I240-W245 HydrophobicContact CD1-CZ2 3.97Å; I240-W245 HydrophobicContact CD1-CZ3 3.96Å; I240-W245 HydrophobicContact CG1-CH2 4.47Å; I240-W245 HydrophobicContact CG1-CZ2 4.3Å; I240-W245 HydrophobicContact CG2-CD2 3.53Å; I240-W245 VanDerWaalsContact CG2-CE2 3.45Å; I240-W245 HydrophobicContact CG2-CE3 3.98Å; I240-W245 HydrophobicContact CG2-CG 3.85Å; I240-W245 HydrophobicContact CG2-CH2 4.35Å; I240-W245 HydrophobicContact CG2-CZ2 3.91Å; I240-W245 HydrophobicContact CG2-CZ3 4.36Å; I240-W245 PolarHBondContact O-NE1 3.18Å; I240-W245 VanDerWaalsContact O-NE1 3.1Å; I240-I248 HydrophobicContact CD1-CD1 4.24Å; I240-I248 HydrophobicContact CG2-CD1 4.32Å
241Y93.3Very high93.7Very high114 Ų11460.9 Ų60.945%0.44732%0.316SS..  trans-80159.8-177.1-65.6-76.3000112.5Q239 D243 E244 W245Q239-Y241 HydrophobicContact CG-CE1 4.29Å; Y241-D243 VanDerWaalsContact C-N 3.29Å; Y241-D243 WeakPolarHBondContact CB-OD1 3.39Å; Y241-D243 PolarHBondContact O-N 3.39Å; Y241-E244 WeakPolarHBondContact CD2-OE2 3.35Å; Y241-E244 PolarHBondContact N-OE2 3.2Å; Y241-E244 WeakPolarHBondContact O-CB 3.47Å; Y241-E244 PolarHBondContact O-N 3Å; Y241-W245 PolarHBondContact O-N 2.93Å
242P94.1Very high93.7Very high98 Ų9862 Ų6264%0.63633%0.325SS*.Hα-helixtrans-54.3-39.5-177.2-29.337.2000115I246P242-I246 WeakPolarHBondContact O-CG1 3.31Å; P242-I246 PolarHBondContact O-N 3.37Å
243D94.4Very high93.9Very high96 Ų9663.4 Ų63.451%0.51332%0.324SS..Hα-helixtrans-66.2-43.9173.756-34.2000111.9Y241 W245 I246 E247Y241-D243 VanDerWaalsContact C-N 3.29Å; Y241-D243 WeakPolarHBondContact CB-OD1 3.39Å; Y241-D243 PolarHBondContact O-N 3.39Å; D243-W245 VanDerWaalsContact C-N 3.29Å; D243-W245 PolarHBondContact O-N 2.95Å; D243-I246 WeakPolarHBondContact O-CA 3.43Å; D243-I246 WeakPolarHBondContact O-CB 3.22Å; D243-I246 PolarHBondContact O-N 3.04Å; D243-E247 WeakPolarHBondContact O-CG 3.27Å; D243-E247 PolarHBondContact O-N 3.15Å
244E95.9Very high94.3Very high25 Ų2556.4 Ų56.412%0.11729%0.292CS..Hα-helixtrans-61.4-36175.8-65.5-176134.200112.3L167 K170 I240 Y241 I246 E247 I248L167-E244 HydrophobicContact CD1-CB 3.77Å; L167-E244 HydrophobicContact CD1-CG 4.19Å; L167-E244 HydrophobicContact CD2-CB 4.4Å; K170-E244 IonicContact NZ-OE1 2.66Å; K170-E244 PolarHBondContact NZ-OE1 3.17Å; K170-E244 IonicContact NZ-OE2 2.94Å; K170-E244 PolarHBondContact NZ-OE2 2.85Å; I240-E244 WeakPolarHBondContact CA-OE2 3.2Å; I240-E244 HydrophobicContact CG2-CB 3.64Å; Y241-E244 WeakPolarHBondContact CD2-OE2 3.35Å; Y241-E244 PolarHBondContact N-OE2 3.2Å; Y241-E244 WeakPolarHBondContact O-CB 3.47Å; Y241-E244 PolarHBondContact O-N 3Å; E244-I246 VanDerWaalsContact C-N 3.3Å; E244-I246 PolarHBondContact O-N 3.13Å; E244-E247 WeakPolarHBondContact O-CB 3.38Å; E244-E247 PolarHBondContact O-N 3.13Å; E244-I248 WeakPolarHBondContact O-CG1 3.05Å; E244-I248 PolarHBondContact O-N 2.76Å
245W96.4Very high94.6Very high20 Ų2051.9 Ų51.98%0.07627%0.271CS..Hα-helixtrans-62-38.9172.5-71.9114.2000112.4V221 F222 K225 L228 I240 Y241 D243 I248 D249V221-W245 HydrophobicContact CG1-CH2 3.93Å; V221-W245 HydrophobicContact CG1-CZ3 3.93Å; F222-W245 AromaticContact CD2-CE3 3.9Å; F222-W245 HydrophobicContact CD2-CE3 3.9Å; F222-W245 WeakPolarHBondContact CD2-O 3.47Å; F222-W245 VanDerWaalsContact CE2-O 3.27Å; F222-W245 WeakPolarHBondContact CE2-O 3.45Å; K225-W245 HydrophobicContact CB-CE3 4.25Å; K225-W245 HydrophobicContact CB-CH2 4.12Å; K225-W245 HydrophobicContact CB-CZ2 4.43Å; K225-W245 HydrophobicContact CB-CZ3 4.05Å; K225-W245 HydrophobicContact CD-CB 4.42Å; K225-W245 HydrophobicContact CD-CD2 3.82Å; K225-W245 HydrophobicContact CD-CE3 4.13Å; K225-W245 HydrophobicContact CD-CG 3.97Å; K225-W245 HydrophobicContact CG-CD2 3.91Å; K225-W245 HydrophobicContact CG-CE3 4.12Å; K225-W245 HydrophobicContact CG-CG 4.49Å; K225-W245 HydrophobicContact CG-CH2 4.18Å; K225-W245 HydrophobicContact CG-CZ2 3.99Å; K225-W245 HydrophobicContact CG-CZ3 4.26Å; L228-W245 HydrophobicContact CD1-CH2 4.3Å; I240-W245 HydrophobicContact CB-CD2 4.24Å; I240-W245 HydrophobicContact CB-CH2 4.24Å; I240-W245 HydrophobicContact CB-CZ2 3.65Å; I240-W245 HydrophobicContact CD1-CH2 3.65Å; I240-W245 HydrophobicContact CD1-CZ2 3.97Å; I240-W245 HydrophobicContact CD1-CZ3 3.96Å; I240-W245 HydrophobicContact CG1-CH2 4.47Å; I240-W245 HydrophobicContact CG1-CZ2 4.3Å; I240-W245 HydrophobicContact CG2-CD2 3.53Å; I240-W245 VanDerWaalsContact CG2-CE2 3.45Å; I240-W245 HydrophobicContact CG2-CE3 3.98Å; I240-W245 HydrophobicContact CG2-CG 3.85Å; I240-W245 HydrophobicContact CG2-CH2 4.35Å; I240-W245 HydrophobicContact CG2-CZ2 3.91Å; I240-W245 HydrophobicContact CG2-CZ3 4.36Å; I240-W245 PolarHBondContact O-NE1 3.18Å; I240-W245 VanDerWaalsContact O-NE1 3.1Å; Y241-W245 PolarHBondContact O-N 2.93Å; D243-W245 VanDerWaalsContact C-N 3.29Å; D243-W245 PolarHBondContact O-N 2.95Å; W245-I248 HydrophobicContact CE3-CD1 3.99Å; W245-I248 HydrophobicContact CZ3-CD1 4.18Å; W245-I248 PolarHBondContact O-N 3Å; W245-D249 PolarHBondContact O-N 2.66Å
246I96Very high94.9Very high98 Ų9851 Ų5150%0.50327%0.27SS..Hα-helixtrans-66.7-41.9175.7-63.4166000109.4P242 D243 E244 I248 D249 L250P242-I246 WeakPolarHBondContact O-CG1 3.31Å; P242-I246 PolarHBondContact O-N 3.37Å; D243-I246 WeakPolarHBondContact O-CA 3.43Å; D243-I246 WeakPolarHBondContact O-CB 3.22Å; D243-I246 PolarHBondContact O-N 3.04Å; E244-I246 VanDerWaalsContact C-N 3.3Å; E244-I246 PolarHBondContact O-N 3.13Å; I246-I248 VanDerWaalsContact C-N 3.34Å; I246-I248 PolarHBondContact O-N 3.36Å; I246-D249 PolarHBondContact O-N 3.06Å; I246-L250 HydrophobicContact CG2-CD1 3.82Å; I246-L250 HydrophobicContact CG2-CG 4.05Å; I246-L250 WeakPolarHBondContact O-CB 3.34Å; I246-L250 VanDerWaalsContact O-CG 3.29Å; I246-L250 WeakPolarHBondContact O-CG 3.2Å; I246-L250 PolarHBondContact O-N 2.88Å
247E96.8Very high95.3Very high28 Ų2844.9 Ų44.913%0.13123%0.227CC..Hα-helixtrans-59.6-41.9176.4-67.5-176.9156.900112.2L167 D243 E244 D249 L250 C251 T298 I299L167-E247 HydrophobicContact CD2-CB 3.9Å; D243-E247 WeakPolarHBondContact O-CG 3.27Å; D243-E247 PolarHBondContact O-N 3.15Å; E244-E247 WeakPolarHBondContact O-CB 3.38Å; E244-E247 PolarHBondContact O-N 3.13Å; E247-D249 PolarHBondContact O-N 3.37Å; E247-L250 PolarHBondContact O-N 3.2Å; E247-C251 WeakPolarHBondContact O-CB 3.2Å; E247-C251 PolarHBondContact O-N 3.18Å; E247-T298 WeakPolarHBondContact OE1-CB 3.29Å; E247-T298 PolarHBondContact OE1-OG1 3.24Å; E247-I299 HydrophobicContact CB-CD1 4.26Å; E247-I299 HydrophobicContact CB-CG1 4.27Å; E247-I299 HydrophobicContact CG-CG1 4.38Å; E247-I299 WeakPolarHBondContact O-CD1 3.14Å
248I97.1Very high95.6Very high1 Ų143.1 Ų43.11%0.00522%0.217CC..Hα-helixtrans-62.1-44.7176.4-63.4166.9000111.7L167 M218 F222 I240 E244 W245 I246 C251 S252L167-I248 HydrophobicContact CD1-CD1 4.08Å; L167-I248 HydrophobicContact CD1-CG1 4.22Å; L167-I248 HydrophobicContact CD2-CG1 3.78Å; L167-I248 HydrophobicContact CG-CD1 4.38Å; L167-I248 HydrophobicContact CG-CG1 4.02Å; M218-I248 HydrophobicContact CB-CG2 3.89Å; M218-I248 WeakPolarHBondContact O-CG2 3.41Å; F222-I248 HydrophobicContact CB-CB 4.49Å; F222-I248 HydrophobicContact CB-CG2 3.64Å; F222-I248 HydrophobicContact CD2-CB 4.3Å; F222-I248 HydrophobicContact CD2-CG2 4.27Å; F222-I248 HydrophobicContact CG-CG2 4.21Å; I240-I248 HydrophobicContact CD1-CD1 4.24Å; I240-I248 HydrophobicContact CG2-CD1 4.32Å; E244-I248 WeakPolarHBondContact O-CG1 3.05Å; E244-I248 PolarHBondContact O-N 2.76Å; W245-I248 HydrophobicContact CE3-CD1 3.99Å; W245-I248 HydrophobicContact CZ3-CD1 4.18Å; W245-I248 PolarHBondContact O-N 3Å; I246-I248 VanDerWaalsContact C-N 3.34Å; I246-I248 PolarHBondContact O-N 3.36Å; I248-C251 PolarHBondContact O-N 3.21Å; I248-S252 PolarHBondContact O-N 2.92Å; I248-S252 PolarHBondContact O-OG 3.3Å
249D96.3Very high95.8Very high46 Ų4644.1 Ų44.125%0.24622%0.22CC..Hα-helixtrans-62.4-49.6178.218049.4000111.4F222 W245 I246 E247 C251 S252 K253F222-D249 HydrophobicContact CD2-CB 4.35Å; F222-D249 HydrophobicContact CE1-CB 4.19Å; F222-D249 HydrophobicContact CE2-CB 3.73Å; F222-D249 HydrophobicContact CZ-CB 3.64Å; W245-D249 PolarHBondContact O-N 2.66Å; I246-D249 PolarHBondContact O-N 3.06Å; E247-D249 PolarHBondContact O-N 3.37Å; D249-C251 PolarHBondContact O-N 3.04Å; D249-S252 WeakPolarHBondContact O-CB 3.21Å; D249-S252 PolarHBondContact O-N 2.85Å; D249-K253 PolarHBondContact O-N 3.22Å; D249-K253 IonicContact OD1-NZ 2.75Å; D249-K253 VanDerWaalsContact OD2-CE 3.28Å; D249-K253 WeakPolarHBondContact OD2-CE 3.38Å; D249-K253 IonicContact OD2-NZ 2.69Å; D249-K253 PolarHBondContact OD2-NZ 3Å
250L97Very high96Very high18 Ų1840.2 Ų40.29%0.09420%0.201CC..Hα-helixtrans-65.2-38.6179.1-66.1-175.9000112I246 E247 S252 K253 V254 F293 I299I246-L250 HydrophobicContact CG2-CD1 3.82Å; I246-L250 HydrophobicContact CG2-CG 4.05Å; I246-L250 WeakPolarHBondContact O-CB 3.34Å; I246-L250 VanDerWaalsContact O-CG 3.29Å; I246-L250 WeakPolarHBondContact O-CG 3.2Å; I246-L250 PolarHBondContact O-N 2.88Å; E247-L250 PolarHBondContact O-N 3.2Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3.47Å; L250-K253 HydrophobicContact CD2-CD 4.3Å; L250-K253 WeakPolarHBondContact O-CB 3.36Å; L250-K253 PolarHBondContact O-N 3.24Å; L250-K253 VanDerWaalsContact O-N 3.14Å; L250-V254 WeakPolarHBondContact O-CG2 3.31Å; L250-V254 PolarHBondContact O-N 3.01Å; L250-F293 HydrophobicContact CD1-CD1 4.26Å; L250-F293 HydrophobicContact CD1-CG 4.5Å; L250-F293 HydrophobicContact CD2-CD1 3.79Å; L250-F293 HydrophobicContact CD2-CE1 3.6Å; L250-F293 HydrophobicContact CD2-CZ 4.16Å; L250-I299 HydrophobicContact CB-CB 4.42Å; L250-I299 HydrophobicContact CB-CG1 3.98Å; L250-I299 HydrophobicContact CB-CG2 4.04Å
251C97.1Very high96.1Very high2 Ų239.5 Ų39.51%0.01420%0.198CC..Hα-helixtrans-58.2-43.7174-173.70000111.3L164 F215 E247 I248 D249 K253 V254 M255 I299L164-C251 HydrophobicContact CD1-CB 4.38Å; F215-C251 VanDerWaalsContact CD1-SG 3.57Å; F215-C251 VanDerWaalsContact CE1-SG 3.54Å; E247-C251 WeakPolarHBondContact O-CB 3.2Å; E247-C251 PolarHBondContact O-N 3.18Å; I248-C251 PolarHBondContact O-N 3.21Å; D249-C251 PolarHBondContact O-N 3.04Å; C251-K253 VanDerWaalsContact C-N 3.29Å; C251-K253 PolarHBondContact O-N 2.93Å; C251-V254 PolarHBondContact O-N 2.68Å; C251-M255 WeakPolarHBondContact O-CB 3.16Å; C251-M255 WeakPolarHBondContact O-CG 3.23Å; C251-M255 PolarHBondContact O-N 3.46Å; C251-I299 HydrophobicContact CB-CD1 3.69Å
252S95.7Very high96.2Very high31 Ų3134.5 Ų34.522%0.21718%0.179CC..Hα-helixtrans-59.9-39.4176.6-56.30000111.5S219 I248 D249 L250 M255 Q256S219-S252 PolarHBondContact OG-OG 2.8Å; I248-S252 PolarHBondContact O-N 2.92Å; I248-S252 PolarHBondContact O-OG 3.3Å; D249-S252 WeakPolarHBondContact O-CB 3.21Å; D249-S252 PolarHBondContact O-N 2.85Å; L250-S252 VanDerWaalsContact C-N 3.29Å; L250-S252 PolarHBondContact O-N 3.47Å; S252-M255 PolarHBondContact O-N 3.03Å; S252-Q256 PolarHBondContact O-N 2.92Å
253K95.6Very high96.1Very high83 Ų8337.9 Ų37.936%0.36118%0.183SC..Hα-helixtrans-68.9-33.2177.2-66.2172.6-169.9164.30113.9D249 L250 C251 P257 F293 K383D249-K253 PolarHBondContact O-N 3.22Å; D249-K253 IonicContact OD1-NZ 2.75Å; D249-K253 VanDerWaalsContact OD2-CE 3.28Å; D249-K253 WeakPolarHBondContact OD2-CE 3.38Å; D249-K253 IonicContact OD2-NZ 2.69Å; D249-K253 PolarHBondContact OD2-NZ 3Å; L250-K253 HydrophobicContact CD2-CD 4.3Å; L250-K253 WeakPolarHBondContact O-CB 3.36Å; L250-K253 PolarHBondContact O-N 3.24Å; L250-K253 VanDerWaalsContact O-N 3.14Å; C251-K253 VanDerWaalsContact C-N 3.29Å; C251-K253 PolarHBondContact O-N 2.93Å; K253-P257 WeakPolarHBondContact O-CD 3.44Å; K253-F293 HydrophobicContact CB-CZ 4.31Å; K253-K383 PolarHBondContact O-NZ 2.97Å
254V97.4Very high96.1Very high0 Ų035.7 Ų35.70%017%0.171CC..Hα-helixtrans-71.3-37.5173.2175.50000110.7L250 C251 P257 L286 D289 F293 I299 F302 A303 L306L250-V254 WeakPolarHBondContact O-CG2 3.31Å; L250-V254 PolarHBondContact O-N 3.01Å; C251-V254 PolarHBondContact O-N 2.68Å; V254-P257 VanDerWaalsContact O-CD 3.32Å; V254-P257 WeakPolarHBondContact O-CD 3.47Å; V254-P257 WeakPolarHBondContact O-CG 3.22Å; V254-L286 HydrophobicContact CG1-CD2 3.97Å; V254-D289 HydrophobicContact CG2-CB 4.19Å; V254-F293 HydrophobicContact CG2-CD2 3.76Å; V254-F293 HydrophobicContact CG2-CE2 3.61Å; V254-I299 HydrophobicContact CG2-CG2 3.78Å; V254-F302 HydrophobicContact CB-CE1 4.42Å; V254-F302 HydrophobicContact CG1-CD1 3.95Å; V254-F302 HydrophobicContact CG1-CE1 3.83Å; V254-A303 HydrophobicContact CG1-CB 4.13Å; V254-A303 HydrophobicContact CG2-CB 4.36Å; V254-L306 HydrophobicContact CG1-CD2 4.22Å
255M97.1Very high96Very high2 Ų234.6 Ų34.61%0.0117%0.166CC..Hα-helixtrans-77.3-32-177.4-79-56.3-5400114.5V154 W211 F215 C251 S252 C258 E259 F302V154-M255 HydrophobicContact CB-CE 4.42Å; V154-M255 HydrophobicContact CG1-CE 3.57Å; V154-M255 HydrophobicContact CG1-SD 3.83Å; V154-M255 HydrophobicContact CG2-CE 3.92Å; V154-M255 HydrophobicContact CG2-SD 4.23Å; W211-M255 HydrophobicContact CH2-CE 4.23Å; W211-M255 HydrophobicContact CZ3-CE 3.81Å; F215-M255 HydrophobicContact CB-CG 4.44Å; F215-M255 HydrophobicContact CD1-CG 3.52Å; F215-M255 HydrophobicContact CD1-SD 4.24Å; F215-M255 HydrophobicContact CD2-CE 3.79Å; F215-M255 HydrophobicContact CD2-CG 4.25Å; F215-M255 HydrophobicContact CD2-SD 4.2Å; F215-M255 HydrophobicContact CE1-CG 3.69Å; F215-M255 HydrophobicContact CE1-SD 3.94Å; F215-M255 HydrophobicContact CE2-CE 3.85Å; F215-M255 HydrophobicContact CE2-CG 4.41Å; F215-M255 HydrophobicContact CE2-SD 3.92Å; F215-M255 HydrophobicContact CG-CE 4.24Å; F215-M255 HydrophobicContact CG-CG 3.81Å; F215-M255 HydrophobicContact CG-SD 4.35Å; F215-M255 HydrophobicContact CZ-CE 4.33Å; F215-M255 HydrophobicContact CZ-CG 4.14Å; F215-M255 HydrophobicContact CZ-SD 3.77Å; C251-M255 WeakPolarHBondContact O-CB 3.16Å; C251-M255 WeakPolarHBondContact O-CG 3.23Å; C251-M255 PolarHBondContact O-N 3.46Å; S252-M255 PolarHBondContact O-N 3.03Å; M255-C258 HydrophobicContact CE-CB 4.29Å; M255-C258 WeakPolarHBondContact O-CB 3.36Å; M255-C258 PolarHBondContact O-N 3.36Å; M255-E259 PolarHBondContact O-N 3.33Å; M255-E259 VanDerWaalsContact O-N 3.08Å; M255-F302 HydrophobicContact CG-CE1 4.24Å; M255-F302 HydrophobicContact CG-CZ 4.42Å; M255-F302 HydrophobicContact SD-CE1 3.97Å; M255-F302 HydrophobicContact SD-CZ 3.72Å
256Q95.9Very high95.7Very high69 Ų6936.9 Ų36.932%0.32219%0.185SC..Hα-helixtrans-44.5-53.5179.9179.6-177.2-1.700114.1S252 C258 E259 E260S252-Q256 PolarHBondContact O-N 2.92Å; Q256-C258 VanDerWaalsContact C-N 3.27Å; Q256-C258 PolarHBondContact O-N 2.99Å; Q256-E259 PolarHBondContact O-N 2.92Å; Q256-E260 HydrophobicContact CG-CG 4.45Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.38Å; Q256-E260 PolarHBondContact NE2-OE1 3.29Å; Q256-E260 WeakPolarHBondContact O-CG 3.44Å; Q256-E260 PolarHBondContact O-N 3.36Å
257P97.1Very high95.3Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-64.5-29.4-178.926.4-37.5000113.4K253 V254 T261 L282 K383 I384K253-P257 WeakPolarHBondContact O-CD 3.44Å; V254-P257 VanDerWaalsContact O-CD 3.32Å; V254-P257 WeakPolarHBondContact O-CD 3.47Å; V254-P257 WeakPolarHBondContact O-CG 3.22Å; P257-T261 WeakPolarHBondContact O-CB 3.5Å; P257-T261 PolarHBondContact O-N 2.98Å; P257-T261 PolarHBondContact O-OG1 2.95Å; P257-L282 HydrophobicContact CB-CD2 3.97Å; P257-K383 HydrophobicContact CB-CD 4.4Å; P257-K383 HydrophobicContact CG-CD 4.2Å; P257-I384 HydrophobicContact CB-CD1 3.61Å; P257-I384 HydrophobicContact CB-CG1 3.71Å; P257-I384 WeakPolarHBondContact O-CG1 3.31Å
258C97.8Very high94.5Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-69-43.2174.1-62.20000111.6V154 M255 Q256 T261 I262V154-C258 HydrophobicContact CG2-CB 4.27Å; M255-C258 HydrophobicContact CE-CB 4.29Å; M255-C258 WeakPolarHBondContact O-CB 3.36Å; M255-C258 PolarHBondContact O-N 3.36Å; Q256-C258 VanDerWaalsContact C-N 3.27Å; Q256-C258 PolarHBondContact O-N 2.99Å; C258-T261 PolarHBondContact O-N 3.41Å; C258-I262 WeakPolarHBondContact O-CB 3.38Å; C258-I262 WeakPolarHBondContact O-CG1 3.36Å; C258-I262 PolarHBondContact O-N 3.11Å
259E95.7Very high93.8Very high61 Ų6141.8 Ų41.829%0.28522%0.223SC..Hα-helixtrans-64.2-44.1176.3-66.9-173.7142.300111.9W211 N212 M255 Q256 T261 I262 K263W211-E259 HydrophobicContact CH2-CB 4.42Å; W211-E259 HydrophobicContact CH2-CG 3.68Å; W211-E259 HydrophobicContact CZ2-CG 4.06Å; N212-E259 PolarHBondContact ND2-OE1 3.22Å; M255-E259 PolarHBondContact O-N 3.33Å; M255-E259 VanDerWaalsContact O-N 3.08Å; Q256-E259 PolarHBondContact O-N 2.92Å; E259-T261 PolarHBondContact O-N 2.93Å; E259-I262 PolarHBondContact O-N 3.49Å; E259-K263 WeakPolarHBondContact O-CB 3.47Å; E259-K263 PolarHBondContact O-N 3.24Å
260E95.5Very high93.5Very high37 Ų3740.4 Ų40.417%0.17322%0.216CC..Hα-helixtrans-58-47.9174.4-72.7176.8-168.600111Q256 K263 I264 S382 K383 I384Q256-E260 HydrophobicContact CG-CG 4.45Å; Q256-E260 WeakPolarHBondContact CG-OE1 3.38Å; Q256-E260 PolarHBondContact NE2-OE1 3.29Å; Q256-E260 WeakPolarHBondContact O-CG 3.44Å; Q256-E260 PolarHBondContact O-N 3.36Å; E260-K263 WeakPolarHBondContact O-CB 3.38Å; E260-K263 PolarHBondContact O-N 3.47Å; E260-I264 VanDerWaalsContact O-CG1 3.28Å; E260-I264 WeakPolarHBondContact O-CG1 3.46Å; E260-I264 PolarHBondContact O-N 2.96Å; E260-S382 PolarHBondContact OE2-OG 3.11Å; E260-K383 PolarHBondContact OE2-N 3.15Å; E260-I384 HydrophobicContact CB-CG1 4.15Å; E260-I384 PolarHBondContact OE2-N 3.39Å; E260-I384 VanDerWaalsContact OE2-N 3.11Å
261T96.7Very high93.3Very high0 Ų040.1 Ų40.10%022%0.216CC..Hα-helixtrans-63.4-45.4179.6-600000112.2L150 P257 C258 E259 K263 I264 W265 L278 L282L150-T261 HydrophobicContact CD2-CG2 3.89Å; P257-T261 WeakPolarHBondContact O-CB 3.5Å; P257-T261 PolarHBondContact O-N 2.98Å; P257-T261 PolarHBondContact O-OG1 2.95Å; C258-T261 PolarHBondContact O-N 3.41Å; E259-T261 PolarHBondContact O-N 2.93Å; T261-K263 VanDerWaalsContact C-N 3.3Å; T261-K263 PolarHBondContact O-N 3.02Å; T261-I264 PolarHBondContact O-N 2.91Å; T261-W265 HydrophobicContact CG2-CD2 3.85Å; T261-W265 HydrophobicContact CG2-CE3 3.85Å; T261-W265 HydrophobicContact CG2-CH2 3.77Å; T261-W265 HydrophobicContact CG2-CZ2 3.77Å; T261-W265 HydrophobicContact CG2-CZ3 3.81Å; T261-W265 PolarHBondContact O-N 2.92Å; T261-L278 HydrophobicContact CG2-CB 3.92Å; T261-L278 HydrophobicContact CG2-CD1 4.28Å; T261-L278 HydrophobicContact CG2-CG 4.48Å; T261-L282 HydrophobicContact CG2-CD1 3.81Å
262I95Very high93.2Very high9 Ų940.7 Ų40.75%0.04622%0.219CC..Hα-helixtrans-62-41176.9-75.9167.8000110.5V147 L150 Q151 W211 C258 E259 I264 W265 S266V147-I262 HydrophobicContact CG1-CG1 4.44Å; V147-I262 HydrophobicContact CG1-CG2 3.91Å; V147-I262 HydrophobicContact CG2-CG2 4.49Å; L150-I262 HydrophobicContact CB-CD1 4.36Å; L150-I262 HydrophobicContact CB-CG1 4.39Å; L150-I262 HydrophobicContact CD2-CD1 4.17Å; L150-I262 HydrophobicContact CD2-CG1 3.82Å; L150-I262 HydrophobicContact CG-CD1 4.04Å; L150-I262 HydrophobicContact CG-CG1 4.18Å; Q151-I262 HydrophobicContact CG-CD1 3.78Å; W211-I262 HydrophobicContact CD2-CD1 4.13Å; W211-I262 HydrophobicContact CE3-CD1 4.05Å; W211-I262 HydrophobicContact CH2-CD1 3.37Å; W211-I262 HydrophobicContact CZ2-CB 4.17Å; W211-I262 HydrophobicContact CZ2-CD1 3.44Å; W211-I262 VanDerWaalsContact CZ2-CD1 3.44Å; W211-I262 HydrophobicContact CZ2-CG1 4.38Å; W211-I262 HydrophobicContact CZ2-CG2 4.08Å; W211-I262 HydrophobicContact CZ3-CD1 3.67Å; C258-I262 WeakPolarHBondContact O-CB 3.38Å; C258-I262 WeakPolarHBondContact O-CG1 3.36Å; C258-I262 PolarHBondContact O-N 3.11Å; E259-I262 PolarHBondContact O-N 3.49Å; I262-I264 VanDerWaalsContact C-N 3.35Å; I262-I264 PolarHBondContact O-N 2.93Å; I262-W265 PolarHBondContact O-N 3.3Å; I262-S266 VanDerWaalsContact O-CB 3.22Å; I262-S266 WeakPolarHBondContact O-CB 3.43Å; I262-S266 PolarHBondContact O-N 3.03Å; I262-S266 PolarHBondContact O-OG 3.02Å
263K92.6Very high93.2Very high170 Ų17039.2 Ų39.274%0.73921%0.208SC*.Hα-helixtrans-62-42.5176.3-173.4-178.5179.9-176.90111.6E259 E260 T261 S266 N267E259-K263 WeakPolarHBondContact O-CB 3.47Å; E259-K263 PolarHBondContact O-N 3.24Å; E260-K263 WeakPolarHBondContact O-CB 3.38Å; E260-K263 PolarHBondContact O-N 3.47Å; T261-K263 VanDerWaalsContact C-N 3.3Å; T261-K263 PolarHBondContact O-N 3.02Å; K263-S266 PolarHBondContact O-N 2.8Å; K263-N267 PolarHBondContact O-N 3.06Å
264I93.3Very high93.2Very high50 Ų5035.3 Ų35.326%0.25619%0.192SC..Hα-helixtrans-62.5-51.8176.2-67.2162.6000110.3E260 T261 I262 S266 N267 T270 L278 I384E260-I264 VanDerWaalsContact O-CG1 3.28Å; E260-I264 WeakPolarHBondContact O-CG1 3.46Å; E260-I264 PolarHBondContact O-N 2.96Å; T261-I264 PolarHBondContact O-N 2.91Å; I262-I264 VanDerWaalsContact C-N 3.35Å; I262-I264 PolarHBondContact O-N 2.93Å; I264-S266 VanDerWaalsContact C-N 3.27Å; I264-S266 PolarHBondContact O-N 3.42Å; I264-N267 VanDerWaalsContact O-CB 3.28Å; I264-N267 WeakPolarHBondContact O-CB 3.44Å; I264-N267 PolarHBondContact O-N 3.41Å; I264-N267 VanDerWaalsContact O-N 3.11Å; I264-T270 HydrophobicContact CG2-CG2 4.17Å; I264-T270 WeakPolarHBondContact O-CB 3.28Å; I264-T270 PolarHBondContact O-OG1 3.32Å; I264-L278 HydrophobicContact CB-CD1 4.35Å; I264-L278 HydrophobicContact CD1-CD2 4.07Å; I264-L278 HydrophobicContact CG2-CD1 3.8Å; I264-I384 HydrophobicContact CD1-CG2 4.36Å
265W93.8Very high93.2Very high2 Ų235.3 Ų35.31%0.00819%0.192CC..Hα-helixtrans-66-27.7-179.9-73-21.6000114.2S146 V147 L150 T261 I262 N267 S274 V275 L278 V279 F314 A456 A457S146-W265 WeakPolarHBondContact O-CZ3 3.2Å; V147-W265 HydrophobicContact CG2-CB 3.56Å; V147-W265 HydrophobicContact CG2-CE3 4.25Å; L150-W265 HydrophobicContact CB-CZ3 4.02Å; L150-W265 HydrophobicContact CD2-CH2 4.47Å; L150-W265 HydrophobicContact CD2-CZ3 3.85Å; T261-W265 HydrophobicContact CG2-CD2 3.85Å; T261-W265 HydrophobicContact CG2-CE3 3.85Å; T261-W265 HydrophobicContact CG2-CH2 3.77Å; T261-W265 HydrophobicContact CG2-CZ2 3.77Å; T261-W265 HydrophobicContact CG2-CZ3 3.81Å; T261-W265 PolarHBondContact O-N 2.92Å; I262-W265 PolarHBondContact O-N 3.3Å; W265-N267 PolarHBondContact O-N 3.12Å; W265-S274 PolarHBondContact NE1-OG 3.21Å; W265-V275 HydrophobicContact CZ2-CB 4.23Å; W265-V275 HydrophobicContact CZ2-CG1 4.04Å; W265-V275 HydrophobicContact CZ2-CG2 4.14Å; W265-L278 HydrophobicContact CZ2-CB 3.94Å; W265-V279 HydrophobicContact CH2-CG2 3.91Å; W265-V279 HydrophobicContact CZ2-CG2 4.1Å; W265-F314 AromaticContact CH2-CE1 3.92Å; W265-F314 HydrophobicContact CH2-CE1 3.92Å; W265-F314 AromaticContact CH2-CZ 3.98Å; W265-F314 HydrophobicContact CH2-CZ 3.98Å; W265-F314 HydrophobicContact CZ3-CE1 4.36Å; W265-F314 HydrophobicContact CZ3-CZ 4.1Å; W265-A456 HydrophobicContact CB-CB 3.88Å; W265-A456 VanDerWaalsContact CD1-CB 3.43Å; W265-A456 HydrophobicContact CD2-CB 4.5Å; W265-A456 HydrophobicContact CG-CB 3.69Å; W265-A457 WeakPolarHBondContact O-CB 3.42Å
266S89.4Confident93.3Very high67 Ų6735.7 Ų35.747%0.46919%0.194SC..Hα-helixtrans-74.8-13.8176.1-58.20000112.8I262 K263 I264I262-S266 VanDerWaalsContact O-CB 3.22Å; I262-S266 WeakPolarHBondContact O-CB 3.43Å; I262-S266 PolarHBondContact O-N 3.03Å; I262-S266 PolarHBondContact O-OG 3.02Å; K263-S266 PolarHBondContact O-N 2.8Å; I264-S266 VanDerWaalsContact C-N 3.27Å; I264-S266 PolarHBondContact O-N 3.42Å
267N87.4Confident93.3Very high79 Ų7932.4 Ų32.442%0.42218%0.179SC..SBendtrans-68.9132.4177.7-172-30.9000110.8K263 I264 W265 S269 T270K263-N267 PolarHBondContact O-N 3.06Å; I264-N267 VanDerWaalsContact O-CB 3.28Å; I264-N267 WeakPolarHBondContact O-CB 3.44Å; I264-N267 PolarHBondContact O-N 3.41Å; I264-N267 VanDerWaalsContact O-N 3.11Å; W265-N267 PolarHBondContact O-N 3.12Å; N267-S269 PolarHBondContact O-N 2.98Å; N267-S269 VanDerWaalsContact O-N 3.13Å; N267-S269 PolarHBondContact OD1-N 3.4Å; N267-S269 PolarHBondContact OD1-OG 3.19Å; N267-S269 VanDerWaalsContact OD1-OG 3.08Å; N267-T270 WeakPolarHBondContact O-CB 3.29Å; N267-T270 PolarHBondContact O-N 2.9Å
268P80.9Confident93.4Very high68 Ų6832.5 Ų32.544%0.44218%0.179SC..THydrogen-bonded Turntrans-63.6-7.7175.1-22.833.8000117.8R91R91-P268 PolarHBondContact NE-O 2.93Å; R91-P268 PolarHBondContact NH2-O 2.77Å
269S83.1Confident93.4Very high84 Ų8432.5 Ų32.559%0.58718%0.179SC*.THydrogen-bonded Turntrans-90.2-14.5169.560.10000112.8N267N267-S269 PolarHBondContact O-N 2.98Å; N267-S269 VanDerWaalsContact O-N 3.13Å; N267-S269 PolarHBondContact OD1-N 3.4Å; N267-S269 PolarHBondContact OD1-OG 3.19Å; N267-S269 VanDerWaalsContact OD1-OG 3.08Å
270T89.8Confident93.5Very high16 Ų1630.3 Ų30.310%0.09817%0.171CC..  trans-82.4131.3-173.9-57.40000111.4R91 I264 N267 S274 A456R91-T270 PolarHBondContact NH2-O 3.28Å; I264-T270 HydrophobicContact CG2-CG2 4.17Å; I264-T270 WeakPolarHBondContact O-CB 3.28Å; I264-T270 PolarHBondContact O-OG1 3.32Å; N267-T270 WeakPolarHBondContact O-CB 3.29Å; N267-T270 PolarHBondContact O-N 2.9Å; T270-S274 WeakPolarHBondContact CG2-OG 3.37Å; T270-A456 HydrophobicContact CG2-CB 4.14Å
271T92.3Very high93.6Very high13 Ų1328.5 Ų28.58%0.0816%0.163CC..BIsolated β-bridgetrans-112.7170.4179.970.10000109.9S273 S274 L452 A454T271-S273 PolarHBondContact O-N 3.18Å; T271-S273 PolarHBondContact OG1-OG 3.02Å; T271-S274 PolarHBondContact O-N 3.38Å; T271-S274 PolarHBondContact O-OG 2.9Å; T271-L452 WeakPolarHBondContact CG2-O 3.42Å; T271-A454 CarbonylContact C-O 3.52Å; T271-A454 WeakPolarHBondContact CA-O 3.35Å; T271-A454 VanDerWaalsContact CB-O 3.29Å; T271-A454 WeakPolarHBondContact CB-O 3.39Å
272T94.6Very high93.6Very high13 Ų1328.5 Ų28.58%0.0816%0.163CC..G310 helixtrans-57.1-19.2177.8-610000113.1S274 V275 F323 A326 A454 P455T272-S274 PolarHBondContact O-N 3.41Å; T272-S274 VanDerWaalsContact O-N 3.12Å; T272-V275 HydrophobicContact CG2-CG2 4.37Å; T272-V275 WeakPolarHBondContact O-CB 3.22Å; T272-V275 WeakPolarHBondContact O-CG2 3.5Å; T272-V275 PolarHBondContact O-N 3.18Å; T272-F323 HydrophobicContact CG2-CD1 3.21Å; T272-F323 HydrophobicContact CG2-CE1 3.36Å; T272-F323 HydrophobicContact CG2-CG 4.02Å; T272-F323 HydrophobicContact CG2-CZ 4.27Å; T272-A326 HydrophobicContact CG2-CB 4.42Å; T272-A454 PolarHBondContact N-O 3.28Å; T272-A454 WeakPolarHBondContact OG1-CB 3.3Å; T272-A454 PolarHBondContact OG1-O 2.88Å; T272-P455 PolarHBondContact OG1-O 3.47Å
273S96.3Very high93.8Very high0 Ų030.8 Ų30.80%017%0.171CC..G310 helixtrans-58.5-26177.169.60000114.1T271 V275 P277 A326 T327 D330 Y333T271-S273 PolarHBondContact O-N 3.18Å; T271-S273 PolarHBondContact OG1-OG 3.02Å; S273-V275 VanDerWaalsContact C-N 3.34Å; S273-P277 WeakPolarHBondContact O-CD 3.47Å; S273-A326 WeakPolarHBondContact CB-O 3.33Å; S273-T327 PolarHBondContact O-OG1 3.36Å; S273-D330 WeakPolarHBondContact CB-OD2 3.41Å; S273-D330 PolarHBondContact OG-OD2 3.3Å; S273-Y333 WeakPolarHBondContact O-CD2 3.46Å; S273-Y333 WeakPolarHBondContact O-CE2 3.35Å
274S96.3Very high94Very high2 Ų225.5 Ų25.51%0.01415%0.15CC..G310 helixtrans-81.6-10.9179.566.50000113.7W265 T270 T271 T272 P277 L278W265-S274 PolarHBondContact NE1-OG 3.21Å; T270-S274 WeakPolarHBondContact CG2-OG 3.37Å; T271-S274 PolarHBondContact O-N 3.38Å; T271-S274 PolarHBondContact O-OG 2.9Å; T272-S274 PolarHBondContact O-N 3.41Å; T272-S274 VanDerWaalsContact O-N 3.12Å; S274-P277 WeakPolarHBondContact O-CD 3.28Å; S274-L278 VanDerWaalsContact O-CB 3.26Å; S274-L278 WeakPolarHBondContact O-CB 3.37Å; S274-L278 WeakPolarHBondContact O-CD1 3.4Å; S274-L278 VanDerWaalsContact O-CG 3.25Å; S274-L278 WeakPolarHBondContact O-CG 3.41Å; S274-L278 PolarHBondContact O-N 3.31Å
275V97.4Very high94.2Very high0 Ų023.1 Ų23.10%014%0.138CC..Hα-helixtrans-69.4-49.2-170.4175.50000112S146 W265 T272 S273 L278 V279 F314 I317 F323 A456S146-V275 WeakPolarHBondContact OG-CG2 3.49Å; W265-V275 HydrophobicContact CZ2-CB 4.23Å; W265-V275 HydrophobicContact CZ2-CG1 4.04Å; W265-V275 HydrophobicContact CZ2-CG2 4.14Å; T272-V275 HydrophobicContact CG2-CG2 4.37Å; T272-V275 WeakPolarHBondContact O-CB 3.22Å; T272-V275 WeakPolarHBondContact O-CG2 3.5Å; T272-V275 PolarHBondContact O-N 3.18Å; S273-V275 VanDerWaalsContact C-N 3.34Å; V275-L278 PolarHBondContact O-N 3.21Å; V275-V279 HydrophobicContact CG1-CG2 4.18Å; V275-V279 WeakPolarHBondContact O-CB 3.45Å; V275-V279 WeakPolarHBondContact O-CG2 3.33Å; V275-V279 PolarHBondContact O-N 3.27Å; V275-F314 HydrophobicContact CG1-CD1 4.4Å; V275-F314 HydrophobicContact CG1-CE1 4.34Å; V275-I317 HydrophobicContact CG1-CD1 4.37Å; V275-I317 HydrophobicContact CG1-CG2 4.35Å; V275-F323 HydrophobicContact CB-CD1 3.86Å; V275-F323 HydrophobicContact CB-CE1 3.88Å; V275-F323 HydrophobicContact CG1-CD1 3.89Å; V275-F323 HydrophobicContact CG1-CE1 3.66Å; V275-F323 HydrophobicContact CG2-CD1 4.36Å; V275-F323 HydrophobicContact CG2-CE1 4.01Å; V275-A456 HydrophobicContact CG2-CB 4.04Å
276I97.7Very high94.4Very high10 Ų1023 Ų235%0.05114%0.138CC..Hα-helixtrans-60-50.7177.8-65.5176.7000111.2L278 V279 A280 I317 F323 L324 T327 F337I276-L278 PolarHBondContact O-N 3.08Å; I276-V279 PolarHBondContact O-N 2.97Å; I276-A280 WeakPolarHBondContact O-CB 3.35Å; I276-A280 PolarHBondContact O-N 3.38Å; I276-I317 WeakPolarHBondContact CD1-O 3.38Å; I276-I317 HydrophobicContact CG1-CB 4.33Å; I276-I317 HydrophobicContact CG1-CD1 4.11Å; I276-I317 HydrophobicContact CG1-CG1 4.11Å; I276-F323 HydrophobicContact CD1-CB 4.07Å; I276-F323 HydrophobicContact CG1-CB 4.27Å; I276-L324 HydrophobicContact CD1-CD2 3.89Å; I276-T327 HydrophobicContact CB-CG2 4.09Å; I276-T327 HydrophobicContact CG2-CG2 4.49Å; I276-F337 HydrophobicContact CG2-CB 3.79Å; I276-F337 HydrophobicContact CG2-CG 4.43Å
277P97.4Very high94.7Very high0 Ų025.6 Ų25.60%014%0.138CC..Hα-helixtrans-56.6-48.4177-2733.9000113.4S273 S274 A280 A281 T327 Y333 F337 L388S273-P277 WeakPolarHBondContact O-CD 3.47Å; S274-P277 WeakPolarHBondContact O-CD 3.28Å; P277-A280 WeakPolarHBondContact O-CB 3.49Å; P277-A280 PolarHBondContact O-N 3.06Å; P277-A281 PolarHBondContact O-N 3.42Å; P277-T327 HydrophobicContact CG-CG2 3.94Å; P277-Y333 HydrophobicContact CB-CD1 4.04Å; P277-Y333 HydrophobicContact CB-CE1 3.83Å; P277-Y333 HydrophobicContact CB-CG 4.49Å; P277-Y333 HydrophobicContact CG-CD1 3.59Å; P277-Y333 HydrophobicContact CG-CD2 3.66Å; P277-Y333 HydrophobicContact CG-CE1 3.71Å; P277-Y333 HydrophobicContact CG-CE2 3.81Å; P277-Y333 HydrophobicContact CG-CG 3.56Å; P277-F337 HydrophobicContact CB-CD1 4.5Å; P277-F337 HydrophobicContact CB-CD2 4.22Å; P277-F337 HydrophobicContact CB-CE1 4Å; P277-F337 HydrophobicContact CB-CE2 3.7Å; P277-F337 HydrophobicContact CB-CZ 3.59Å; P277-F337 HydrophobicContact CG-CD2 3.83Å; P277-F337 HydrophobicContact CG-CE2 3.69Å; P277-F337 HydrophobicContact CG-CG 4.38Å; P277-F337 HydrophobicContact CG-CZ 4.11Å; P277-L388 HydrophobicContact CB-CD2 3.79Å; P277-L388 WeakPolarHBondContact O-CD2 3.43Å
278L97.9Very high95.1Very high2 Ų225.2 Ų25.21%0.0114%0.138CC..Hα-helixtrans-70.3-36.2-175.7-72.5166.6000112.2T261 I264 W265 S274 V275 I276 A280 A281 L282 I384 L388T261-L278 HydrophobicContact CG2-CB 3.92Å; T261-L278 HydrophobicContact CG2-CD1 4.28Å; T261-L278 HydrophobicContact CG2-CG 4.48Å; I264-L278 HydrophobicContact CB-CD1 4.35Å; I264-L278 HydrophobicContact CD1-CD2 4.07Å; I264-L278 HydrophobicContact CG2-CD1 3.8Å; W265-L278 HydrophobicContact CZ2-CB 3.94Å; S274-L278 VanDerWaalsContact O-CB 3.26Å; S274-L278 WeakPolarHBondContact O-CB 3.37Å; S274-L278 WeakPolarHBondContact O-CD1 3.4Å; S274-L278 VanDerWaalsContact O-CG 3.25Å; S274-L278 WeakPolarHBondContact O-CG 3.41Å; S274-L278 PolarHBondContact O-N 3.31Å; V275-L278 PolarHBondContact O-N 3.21Å; I276-L278 PolarHBondContact O-N 3.08Å; L278-A280 VanDerWaalsContact C-N 3.34Å; L278-A281 PolarHBondContact O-N 3.16Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.32Å; L278-L282 PolarHBondContact O-N 3.01Å; L278-I384 HydrophobicContact CD2-CG2 3.4Å; L278-I384 VanDerWaalsContact CD2-CG2 3.4Å; L278-L388 HydrophobicContact CD2-CD1 3.75Å
279V98.2Very high95.8Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-66.4-38.2172.8172.30000111W265 V275 I276 L282 R283 L310 F314 I317W265-V279 HydrophobicContact CH2-CG2 3.91Å; W265-V279 HydrophobicContact CZ2-CG2 4.1Å; V275-V279 HydrophobicContact CG1-CG2 4.18Å; V275-V279 WeakPolarHBondContact O-CB 3.45Å; V275-V279 WeakPolarHBondContact O-CG2 3.33Å; V275-V279 PolarHBondContact O-N 3.27Å; I276-V279 PolarHBondContact O-N 2.97Å; V279-L282 PolarHBondContact O-N 3.48Å; V279-R283 VanDerWaalsContact O-CB 3.31Å; V279-R283 WeakPolarHBondContact O-CB 3.46Å; V279-R283 PolarHBondContact O-N 3.4Å; V279-L310 HydrophobicContact CG1-CG 4.43Å; V279-F314 HydrophobicContact CG1-CB 3.99Å; V279-F314 HydrophobicContact CG1-CG 4.31Å; V279-F314 HydrophobicContact CG2-CB 4.38Å; V279-F314 HydrophobicContact CG2-CD1 3.57Å; V279-F314 HydrophobicContact CG2-CE1 3.88Å; V279-F314 HydrophobicContact CG2-CG 3.93Å; V279-F314 HydrophobicContact CG2-CZ 4.48Å; V279-I317 HydrophobicContact CB-CD1 3.76Å; V279-I317 HydrophobicContact CG1-CD1 3.79Å; V279-I317 HydrophobicContact CG2-CD1 3.9Å
280A97.4Very high96.4Very high14 Ų1419.5 Ų19.512%0.11610%0.098CC..Hα-helixtrans-62.8-46.1173.600000111.7I276 P277 L278 L282 R283 D284 F337I276-A280 WeakPolarHBondContact O-CB 3.35Å; I276-A280 PolarHBondContact O-N 3.38Å; P277-A280 WeakPolarHBondContact O-CB 3.49Å; P277-A280 PolarHBondContact O-N 3.06Å; L278-A280 VanDerWaalsContact C-N 3.34Å; A280-L282 PolarHBondContact O-N 2.88Å; A280-R283 WeakPolarHBondContact O-CB 3.25Å; A280-R283 PolarHBondContact O-N 3.28Å; A280-D284 PolarHBondContact O-N 2.88Å; A280-F337 HydrophobicContact CB-CD1 3.95Å; A280-F337 HydrophobicContact CB-CE1 4.1Å
281A97.3Very high96.6Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-63.3-41.217700000112.9P277 L278 R283 D284 S285 I384 I387 L388 I391P277-A281 PolarHBondContact O-N 3.42Å; L278-A281 PolarHBondContact O-N 3.16Å; A281-R283 VanDerWaalsContact C-N 3.35Å; A281-D284 PolarHBondContact O-N 3.2Å; A281-S285 WeakPolarHBondContact O-CB 3.26Å; A281-S285 PolarHBondContact O-N 3.5Å; A281-I384 HydrophobicContact CB-CD1 4.17Å; A281-I387 HydrophobicContact CB-CB 4.29Å; A281-I387 HydrophobicContact CB-CG2 3.8Å; A281-L388 HydrophobicContact CB-CD2 3.82Å; A281-L388 HydrophobicContact CB-CG 3.75Å; A281-I391 HydrophobicContact CB-CD1 4.47Å
282L98.3Very high96.7Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-61-43.8173.4-79.7170.7000111.8L150 P257 T261 L278 V279 A280 D284 S285 L286 L310 I384L150-L282 HydrophobicContact CD1-CD1 4.21Å; L150-L282 HydrophobicContact CD2-CD1 3.73Å; P257-L282 HydrophobicContact CB-CD2 3.97Å; T261-L282 HydrophobicContact CG2-CD1 3.81Å; L278-L282 WeakPolarHBondContact O-CB 3.39Å; L278-L282 VanDerWaalsContact O-CG 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.32Å; L278-L282 PolarHBondContact O-N 3.01Å; V279-L282 PolarHBondContact O-N 3.48Å; A280-L282 PolarHBondContact O-N 2.88Å; L282-D284 VanDerWaalsContact C-N 3.34Å; L282-D284 PolarHBondContact O-N 3.29Å; L282-S285 PolarHBondContact O-N 2.82Å; L282-L286 WeakPolarHBondContact O-CB 3.39Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.49Å; L282-L310 HydrophobicContact CB-CD2 3.76Å; L282-L310 HydrophobicContact CD1-CD1 4.27Å; L282-I384 HydrophobicContact CD2-CD1 3.94Å; L282-I384 HydrophobicContact CG-CD1 4.06Å
283R97.9Very high96.6Very high56 Ų5630.2 Ų30.221%0.21115%0.148CC..Hα-helixtrans-59.4-46178-171.5-173.8-64.7120.9-3.9111.1V279 A280 A281 L286 R287 L307 L310V279-R283 VanDerWaalsContact O-CB 3.31Å; V279-R283 WeakPolarHBondContact O-CB 3.46Å; V279-R283 PolarHBondContact O-N 3.4Å; A280-R283 WeakPolarHBondContact O-CB 3.25Å; A280-R283 PolarHBondContact O-N 3.28Å; A281-R283 VanDerWaalsContact C-N 3.35Å; R283-L286 PolarHBondContact O-N 2.85Å; R283-R287 VanDerWaalsContact CD-CZ 3.45Å; R283-R287 WeakPolarHBondContact O-CB 3.3Å; R283-R287 VanDerWaalsContact O-CG 3.26Å; R283-R287 WeakPolarHBondContact O-CG 3.24Å; R283-R287 PolarHBondContact O-N 2.94Å; R283-L307 HydrophobicContact CB-CD1 4.47Å; R283-L307 HydrophobicContact CG-CD1 3.81Å; R283-L310 HydrophobicContact CB-CD2 4.32Å
284D96.8Very high96.4Very high59 Ų5934.8 Ų34.832%0.31618%0.175SC..Hα-helixtrans-68.8-38.8178.7-72.4-6.7000112.1A280 A281 L282 T288 I387A280-D284 PolarHBondContact O-N 2.88Å; A281-D284 PolarHBondContact O-N 3.2Å; L282-D284 VanDerWaalsContact C-N 3.34Å; L282-D284 PolarHBondContact O-N 3.29Å; D284-T288 WeakPolarHBondContact O-CB 3.41Å; D284-T288 PolarHBondContact O-N 3.38Å; D284-T288 PolarHBondContact O-OG1 3.45Å; D284-I387 HydrophobicContact CB-CG2 4.12Å
285S97.3Very high96.1Very high0 Ų040.1 Ų40.10%021%0.213CC..Hα-helixtrans-57.7-51.2172.1-175.50000111.1A281 L282 T288 D289 K383A281-S285 WeakPolarHBondContact O-CB 3.26Å; A281-S285 PolarHBondContact O-N 3.5Å; L282-S285 PolarHBondContact O-N 2.82Å; S285-T288 WeakPolarHBondContact O-CB 3.29Å; S285-T288 PolarHBondContact O-N 2.9Å; S285-D289 WeakPolarHBondContact O-CB 3.48Å; S285-D289 PolarHBondContact O-N 2.59Å; S285-D289 PolarHBondContact OG-OD2 3.03Å; S285-K383 WeakPolarHBondContact OG-CE 3.46Å; S285-K383 PolarHBondContact OG-NZ 3.21Å
286L97.9Very high95.9Very high1 Ų140.7 Ų40.71%0.00522%0.217CC..Hα-helixtrans-68.3-38.1-175.8-69.7168.9000111.9V254 L282 R283 T288 D289 V290 L306 L307 L310V254-L286 HydrophobicContact CG1-CD2 3.97Å; L282-L286 WeakPolarHBondContact O-CB 3.39Å; L282-L286 VanDerWaalsContact O-CG 3.29Å; L282-L286 WeakPolarHBondContact O-CG 3.41Å; L282-L286 PolarHBondContact O-N 3.49Å; R283-L286 PolarHBondContact O-N 2.85Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 2.99Å; L286-D289 PolarHBondContact O-N 3.4Å; L286-V290 WeakPolarHBondContact O-CB 3.43Å; L286-V290 VanDerWaalsContact O-CG2 3.23Å; L286-V290 WeakPolarHBondContact O-CG2 3.47Å; L286-V290 PolarHBondContact O-N 2.86Å; L286-L306 HydrophobicContact CD1-CD2 4.44Å; L286-L306 HydrophobicContact CD1-CG 3.96Å; L286-L306 HydrophobicContact CD2-CB 4.39Å; L286-L306 HydrophobicContact CD2-CD2 3.74Å; L286-L306 HydrophobicContact CD2-CG 4.03Å; L286-L307 HydrophobicContact CB-CB 4.08Å; L286-L307 HydrophobicContact CB-CD1 4.16Å; L286-L307 HydrophobicContact CD1-CB 4.27Å; L286-L307 HydrophobicContact CD1-CD1 4.49Å; L286-L310 HydrophobicContact CD1-CD2 3.95Å
287R97.4Very high95.8Very high121 Ų12145.6 Ų45.646%0.45725%0.247SC..Hα-helixtrans-60-42.5172.4-75.5171.4178.4173.6-4.7111.6R283 H291 L307 E311R283-R287 VanDerWaalsContact CD-CZ 3.45Å; R283-R287 WeakPolarHBondContact O-CB 3.3Å; R283-R287 VanDerWaalsContact O-CG 3.26Å; R283-R287 WeakPolarHBondContact O-CG 3.24Å; R283-R287 PolarHBondContact O-N 2.94Å; R287-H291 PolarHBondContact O-N 3.24Å; R287-L307 HydrophobicContact CG-CD1 4.38Å; R287-L307 HydrophobicContact CG-CD2 3.67Å; R287-E311 IonicContact CZ-OE1 3.82Å; R287-E311 IonicContact NE-OE1 3.43Å; R287-E311 IonicContact NH2-OE1 3.59Å; R287-E311 PolarHBondContact NH2-OE1 2.69Å
288T96.1Very high95.7Very high71 Ų7145.9 Ų45.944%0.43625%0.249SC..Hα-helixtrans-64.2-45.1175.6-57.80000111.2D284 S285 L286 V290 H291 N292D284-T288 WeakPolarHBondContact O-CB 3.41Å; D284-T288 PolarHBondContact O-N 3.38Å; D284-T288 PolarHBondContact O-OG1 3.45Å; S285-T288 WeakPolarHBondContact O-CB 3.29Å; S285-T288 PolarHBondContact O-N 2.9Å; L286-T288 VanDerWaalsContact C-N 3.29Å; L286-T288 PolarHBondContact O-N 2.99Å; T288-V290 PolarHBondContact O-N 2.84Å; T288-H291 PolarHBondContact O-N 3.47Å; T288-N292 WeakPolarHBondContact CG2-ND2 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.39Å; T288-N292 VanDerWaalsContact O-CG 3.31Å; T288-N292 PolarHBondContact O-N 3Å
289D95.4Very high95.7Very high4 Ų445.8 Ų45.82%0.02125%0.248CC..Hα-helixtrans-65.6-38.6179.3-67.8-27.4000111.8V254 S285 L286 H291 N292 F293 K383V254-D289 HydrophobicContact CG2-CB 4.19Å; S285-D289 WeakPolarHBondContact O-CB 3.48Å; S285-D289 PolarHBondContact O-N 2.59Å; S285-D289 PolarHBondContact OG-OD2 3.03Å; L286-D289 PolarHBondContact O-N 3.4Å; D289-H291 PolarHBondContact O-N 2.7Å; D289-N292 PolarHBondContact O-N 3.01Å; D289-F293 HydrophobicContact CB-CD2 3.83Å; D289-F293 HydrophobicContact CB-CE2 3.71Å; D289-F293 WeakPolarHBondContact O-CB 3.32Å; D289-F293 WeakPolarHBondContact O-CD2 3.49Å; D289-F293 WeakPolarHBondContact O-CG 3.27Å; D289-F293 PolarHBondContact O-N 2.63Å; D289-K383 IonicContact OD1-NZ 2.69Å; D289-K383 PolarHBondContact OD1-NZ 2.71Å; D289-K383 IonicContact OD2-NZ 2.99Å; D289-K383 PolarHBondContact OD2-NZ 3.1Å
290V95.7Very high95.6Very high28 Ų2846.2 Ų46.217%0.1725%0.251CS..Hα-helixtrans-58.5-38.3173.5167.30000111.3L286 T288 V294 C300 A303 R304L286-V290 WeakPolarHBondContact O-CB 3.43Å; L286-V290 VanDerWaalsContact O-CG2 3.23Å; L286-V290 WeakPolarHBondContact O-CG2 3.47Å; L286-V290 PolarHBondContact O-N 2.86Å; T288-V290 PolarHBondContact O-N 2.84Å; V290-V294 WeakPolarHBondContact O-CG2 3.35Å; V290-C300 PolarHBondContact O-SG 3.12Å; V290-A303 HydrophobicContact CG2-CB 3.82Å; V290-R304 HydrophobicContact CG2-CB 4.16Å
291H94Very high95.6Very high143 Ų14347.6 Ų47.666%0.66226%0.26SS*.Hα-helixtrans-77.9-42.3176.8-177.2-73.3000112.6R287 T288 D289 V294R287-H291 PolarHBondContact O-N 3.24Å; T288-H291 PolarHBondContact O-N 3.47Å; D289-H291 PolarHBondContact O-N 2.7Å; H291-V294 WeakPolarHBondContact O-CG2 3.46Å
292N93.3Very high95.7Very high97 Ų9747.6 Ų47.652%0.51926%0.26SS..Hα-helixtrans-74-28.2-175.2-73.7-9.5000113T288 D289T288-N292 WeakPolarHBondContact CG2-ND2 3.31Å; T288-N292 WeakPolarHBondContact O-CB 3.39Å; T288-N292 VanDerWaalsContact O-CG 3.31Å; T288-N292 PolarHBondContact O-N 3Å; D289-N292 PolarHBondContact O-N 3.01Å
293F93.2Very high95.7Very high26 Ų2647.6 Ų47.611%0.11426%0.26CS..THydrogen-bonded Turntrans-105.522.7-176.6-51.8-37000113.4L250 K253 V254 D289 S295 S296 I299L250-F293 HydrophobicContact CD1-CD1 4.26Å; L250-F293 HydrophobicContact CD1-CG 4.5Å; L250-F293 HydrophobicContact CD2-CD1 3.79Å; L250-F293 HydrophobicContact CD2-CE1 3.6Å; L250-F293 HydrophobicContact CD2-CZ 4.16Å; K253-F293 HydrophobicContact CB-CZ 4.31Å; V254-F293 HydrophobicContact CG2-CD2 3.76Å; V254-F293 HydrophobicContact CG2-CE2 3.61Å; D289-F293 HydrophobicContact CB-CD2 3.83Å; D289-F293 HydrophobicContact CB-CE2 3.71Å; D289-F293 WeakPolarHBondContact O-CB 3.32Å; D289-F293 WeakPolarHBondContact O-CD2 3.49Å; D289-F293 WeakPolarHBondContact O-CG 3.27Å; D289-F293 PolarHBondContact O-N 2.63Å; F293-S295 PolarHBondContact O-N 2.95Å; F293-S296 PolarHBondContact O-N 3.27Å; F293-I299 HydrophobicContact CB-CG2 4.21Å; F293-I299 HydrophobicContact CD2-CG2 3.93Å; F293-I299 HydrophobicContact CG-CG2 4.34Å
294V90.9Very high95.7Very high96 Ų9650.2 Ų50.258%0.58227%0.27SS*.THydrogen-bonded Turntrans-54.1-28177.9171.40000112.9V290 H291 S296V290-V294 WeakPolarHBondContact O-CG2 3.35Å; H291-V294 WeakPolarHBondContact O-CG2 3.46Å; V294-S296 VanDerWaalsContact C-N 3.31Å; V294-S296 PolarHBondContact O-N 2.97Å
295S90.3Very high95.8Very high114 Ų11449.8 Ų49.880%0.79727%0.265SS*.THydrogen-bonded Turntrans-68.7-24177.253.70000114.2F293F293-S295 PolarHBondContact O-N 2.95Å
296S94.8Very high95.8Very high12 Ų1249.8 Ų49.88%0.08427%0.265CS..  trans-104.1105.5174.4174.50000109.7F293 V294 T298 I299 C300F293-S296 PolarHBondContact O-N 3.27Å; V294-S296 VanDerWaalsContact C-N 3.31Å; V294-S296 PolarHBondContact O-N 2.97Å; S296-T298 VanDerWaalsContact C-N 3.28Å; S296-T298 PolarHBondContact O-N 3.05Å; S296-I299 PolarHBondContact O-N 2.72Å; S296-I299 WeakPolarHBondContact OG-CG1 3.27Å; S296-I299 PolarHBondContact OG-N 3.35Å; S296-C300 WeakPolarHBondContact O-CB 2.83Å; S296-C300 PolarHBondContact O-N 2.95Å
297V94.5Very high95.8Very high113 Ų11350.7 Ų50.769%0.68527%0.27SS*.Hα-helixtrans-59.8-41.7178.4179.70000110.9S301V297-S301 VanDerWaalsContact O-CB 3.24Å; V297-S301 WeakPolarHBondContact O-CB 3.5Å; V297-S301 PolarHBondContact O-N 3.1Å; V297-S301 PolarHBondContact O-OG 3.43Å
298T95.9Very high95.9Very high6 Ų649.1 Ų49.14%0.03727%0.268CS..Hα-helixtrans-59.2-48.8177.2-50.90000111.9N161 L163 L164 E247 S296 S301 F302N161-T298 PolarHBondContact ND2-O 3.35Å; L163-T298 HydrophobicContact CB-CG2 3.79Å; L163-T298 WeakPolarHBondContact CD1-OG1 3.39Å; L164-T298 HydrophobicContact CB-CG2 4.18Å; E247-T298 WeakPolarHBondContact OE1-CB 3.29Å; E247-T298 PolarHBondContact OE1-OG1 3.24Å; S296-T298 VanDerWaalsContact C-N 3.28Å; S296-T298 PolarHBondContact O-N 3.05Å; T298-S301 PolarHBondContact O-OG 3.39Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 PolarHBondContact O-N 3.12Å; T298-F302 VanDerWaalsContact O-N 3.11Å
299I97.6Very high96Very high0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-78.9-37.9-176.4-58.5-56.7000112E247 L250 C251 V254 F293 S296 S301 F302 A303E247-I299 HydrophobicContact CB-CD1 4.26Å; E247-I299 HydrophobicContact CB-CG1 4.27Å; E247-I299 HydrophobicContact CG-CG1 4.38Å; E247-I299 WeakPolarHBondContact O-CD1 3.14Å; L250-I299 HydrophobicContact CB-CB 4.42Å; L250-I299 HydrophobicContact CB-CG1 3.98Å; L250-I299 HydrophobicContact CB-CG2 4.04Å; C251-I299 HydrophobicContact CB-CD1 3.69Å; V254-I299 HydrophobicContact CG2-CG2 3.78Å; F293-I299 HydrophobicContact CB-CG2 4.21Å; F293-I299 HydrophobicContact CD2-CG2 3.93Å; F293-I299 HydrophobicContact CG-CG2 4.34Å; S296-I299 PolarHBondContact O-N 2.72Å; S296-I299 WeakPolarHBondContact OG-CG1 3.27Å; S296-I299 PolarHBondContact OG-N 3.35Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.25Å; I299-F302 PolarHBondContact O-N 3.48Å; I299-A303 WeakPolarHBondContact O-CB 3.49Å; I299-A303 PolarHBondContact O-N 3.41Å
300C96.6Very high96.2Very high9 Ų946.2 Ų46.26%0.06125%0.249CC..Hα-helixtrans-62.4-41.5175.2-173.40000111.4V290 S296 R304V290-C300 PolarHBondContact O-SG 3.12Å; S296-C300 WeakPolarHBondContact O-CB 2.83Å; S296-C300 PolarHBondContact O-N 2.95Å; C300-R304 VanDerWaalsContact O-CB 3.29Å; C300-R304 WeakPolarHBondContact O-CB 3.33Å; C300-R304 PolarHBondContact O-N 3.18Å; C300-R304 PolarHBondContact SG-NH2 3.15Å
301S97.1Very high96.2Very high44 Ų4448.4 Ų48.431%0.30826%0.258SS..Hα-helixtrans-65.9-40.9174.659.40000112.4N161 V297 T298 I299 K305N161-S301 PolarHBondContact ND2-OG 3.17Å; V297-S301 VanDerWaalsContact O-CB 3.24Å; V297-S301 WeakPolarHBondContact O-CB 3.5Å; V297-S301 PolarHBondContact O-N 3.1Å; V297-S301 PolarHBondContact O-OG 3.43Å; T298-S301 PolarHBondContact O-OG 3.39Å; I299-S301 VanDerWaalsContact C-N 3.34Å; I299-S301 PolarHBondContact O-N 3.25Å; S301-K305 WeakPolarHBondContact O-CB 3.41Å; S301-K305 PolarHBondContact O-N 2.74Å
302F98.2Very high96.4Very high0 Ų047.4 Ų47.40%026%0.255CS..Hα-helixtrans-60.1-51.3173.2177.4-111.4000112.2A157 L158 L164 F215 V254 M255 T298 I299 R304 K305 L306A157-F302 HydrophobicContact CB-CD2 3.9Å; A157-F302 HydrophobicContact CB-CE2 3.64Å; A157-F302 HydrophobicContact CB-CZ 4.49Å; L158-F302 HydrophobicContact CB-CE2 4.29Å; L164-F302 HydrophobicContact CD2-CB 4.32Å; L164-F302 HydrophobicContact CD2-CD1 4.32Å; L164-F302 HydrophobicContact CD2-CD2 3.74Å; L164-F302 HydrophobicContact CD2-CE2 4.1Å; L164-F302 HydrophobicContact CD2-CG 3.87Å; F215-F302 HydrophobicContact CE1-CE1 4.43Å; F215-F302 HydrophobicContact CE1-CE2 4.47Å; F215-F302 AromaticContact CE1-CZ 3.9Å; F215-F302 HydrophobicContact CE1-CZ 3.9Å; F215-F302 HydrophobicContact CZ-CE2 4.21Å; F215-F302 AromaticContact CZ-CZ 3.78Å; F215-F302 HydrophobicContact CZ-CZ 3.78Å; V254-F302 HydrophobicContact CB-CE1 4.42Å; V254-F302 HydrophobicContact CG1-CD1 3.95Å; V254-F302 HydrophobicContact CG1-CE1 3.83Å; M255-F302 HydrophobicContact CG-CE1 4.24Å; M255-F302 HydrophobicContact CG-CZ 4.42Å; M255-F302 HydrophobicContact SD-CE1 3.97Å; M255-F302 HydrophobicContact SD-CZ 3.72Å; T298-F302 WeakPolarHBondContact O-CB 3.47Å; T298-F302 PolarHBondContact O-N 3.12Å; T298-F302 VanDerWaalsContact O-N 3.11Å; I299-F302 PolarHBondContact O-N 3.48Å; F302-R304 PolarHBondContact O-N 3.5Å; F302-K305 PolarHBondContact O-N 3.08Å; F302-L306 HydrophobicContact CE1-CD2 4.32Å; F302-L306 HydrophobicContact CZ-CD2 4.35Å; F302-L306 WeakPolarHBondContact O-CB 3.17Å; F302-L306 PolarHBondContact O-N 2.95Å
303A98.3Very high96.5Very high0 Ų043.2 Ų43.20%023%0.232CC..Hα-helixtrans-62.3-40.5-179.900000112.2V254 V290 I299 L306 L307V254-A303 HydrophobicContact CG1-CB 4.13Å; V254-A303 HydrophobicContact CG2-CB 4.36Å; V290-A303 HydrophobicContact CG2-CB 3.82Å; I299-A303 WeakPolarHBondContact O-CB 3.49Å; I299-A303 PolarHBondContact O-N 3.41Å; A303-L306 PolarHBondContact O-N 2.8Å; A303-L307 WeakPolarHBondContact O-CB 3.25Å; A303-L307 PolarHBondContact O-N 3.01Å
304R98.1Very high96.7Very high110 Ų11042 Ų4242%0.41523%0.227SC..Hα-helixtrans-63.3-47.6175.5-174.7-177.3-6199.65.9111.3V290 C300 F302 L306 L307 E308V290-R304 HydrophobicContact CG2-CB 4.16Å; C300-R304 VanDerWaalsContact O-CB 3.29Å; C300-R304 WeakPolarHBondContact O-CB 3.33Å; C300-R304 PolarHBondContact O-N 3.18Å; C300-R304 PolarHBondContact SG-NH2 3.15Å; F302-R304 PolarHBondContact O-N 3.5Å; R304-L306 VanDerWaalsContact C-N 3.31Å; R304-L306 PolarHBondContact O-N 3.44Å; R304-L307 WeakPolarHBondContact O-CB 3.49Å; R304-L307 PolarHBondContact O-N 3.45Å; R304-E308 WeakPolarHBondContact O-CG 3.3Å; R304-E308 PolarHBondContact O-N 3.44Å
305K98.4Very high96.9Very high50 Ų5040.5 Ų40.522%0.21722%0.224CC..Hα-helixtrans-63.9-39.4178.9-175.359.2-179.7160.30111.6A157 S160 S301 F302 L307 E308 E309A157-K305 HydrophobicContact CB-CB 4.35Å; A157-K305 HydrophobicContact CB-CG 4.19Å; S160-K305 WeakPolarHBondContact OG-CE 3.32Å; S301-K305 WeakPolarHBondContact O-CB 3.41Å; S301-K305 PolarHBondContact O-N 2.74Å; F302-K305 PolarHBondContact O-N 3.08Å; K305-L307 VanDerWaalsContact C-N 3.34Å; K305-E308 WeakPolarHBondContact CD-OE2 3.38Å; K305-E308 IonicContact NZ-OE2 3.88Å; K305-E308 PolarHBondContact O-N 2.93Å; K305-E309 WeakPolarHBondContact CE-OE1 3.48Å; K305-E309 IonicContact NZ-OE1 3.91Å; K305-E309 PolarHBondContact NZ-OE1 3Å; K305-E309 WeakPolarHBondContact O-CG 3.43Å; K305-E309 PolarHBondContact O-N 3.25Å
306L98.5Very high97Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-62.4-41174.8-177.953.5000112C153 V154 A157 V254 L286 F302 A303 R304 E309 L310C153-L306 HydrophobicContact CB-CD1 3.77Å; V154-L306 HydrophobicContact CG2-CD1 3.95Å; A157-L306 HydrophobicContact CB-CB 3.83Å; A157-L306 HydrophobicContact CB-CD1 4.27Å; V254-L306 HydrophobicContact CG1-CD2 4.22Å; L286-L306 HydrophobicContact CD1-CD2 4.44Å; L286-L306 HydrophobicContact CD1-CG 3.96Å; L286-L306 HydrophobicContact CD2-CB 4.39Å; L286-L306 HydrophobicContact CD2-CD2 3.74Å; L286-L306 HydrophobicContact CD2-CG 4.03Å; F302-L306 HydrophobicContact CE1-CD2 4.32Å; F302-L306 HydrophobicContact CZ-CD2 4.35Å; F302-L306 WeakPolarHBondContact O-CB 3.17Å; F302-L306 PolarHBondContact O-N 2.95Å; A303-L306 PolarHBondContact O-N 2.8Å; R304-L306 VanDerWaalsContact C-N 3.31Å; R304-L306 PolarHBondContact O-N 3.44Å; L306-E309 PolarHBondContact O-N 2.92Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 2.98Å
307L98.6Very high97Very high21 Ų2137 Ų3711%0.1119%0.194CC..Hα-helixtrans-62.7-45.4173.9177.561000111.9R283 L286 R287 A303 R304 K305 E309 L310 E311R283-L307 HydrophobicContact CB-CD1 4.47Å; R283-L307 HydrophobicContact CG-CD1 3.81Å; L286-L307 HydrophobicContact CB-CB 4.08Å; L286-L307 HydrophobicContact CB-CD1 4.16Å; L286-L307 HydrophobicContact CD1-CB 4.27Å; L286-L307 HydrophobicContact CD1-CD1 4.49Å; R287-L307 HydrophobicContact CG-CD1 4.38Å; R287-L307 HydrophobicContact CG-CD2 3.67Å; A303-L307 WeakPolarHBondContact O-CB 3.25Å; A303-L307 PolarHBondContact O-N 3.01Å; R304-L307 WeakPolarHBondContact O-CB 3.49Å; R304-L307 PolarHBondContact O-N 3.45Å; K305-L307 VanDerWaalsContact C-N 3.34Å; L307-E309 PolarHBondContact O-N 2.97Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.12Å; L307-E311 HydrophobicContact CD1-CG 4.15Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 2.94Å
308E98.4Very high96.8Very high87 Ų8734.3 Ų34.341%0.40718%0.178SC..Hα-helixtrans-59-46.8176-71.8168.7-166.400111.8R304 K305 L310 E311 M312R304-E308 WeakPolarHBondContact O-CG 3.3Å; R304-E308 PolarHBondContact O-N 3.44Å; K305-E308 WeakPolarHBondContact CD-OE2 3.38Å; K305-E308 IonicContact NZ-OE2 3.88Å; K305-E308 PolarHBondContact O-N 2.93Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 3.42Å; E308-E311 PolarHBondContact O-N 3.42Å; E308-M312 VanDerWaalsContact O-CB 3.3Å; E308-M312 WeakPolarHBondContact O-CB 3.26Å; E308-M312 PolarHBondContact O-N 2.9Å
309E98.4Very high96.6Very high13 Ų1338 Ų386%0.06120%0.204CC..Hα-helixtrans-64.9-38.8177.5-68.1-61.1141.100111.7C153 F156 K305 L306 L307 M312 K313C153-E309 HydrophobicContact CB-CB 3.79Å; C153-E309 VanDerWaalsContact SG-C 3.56Å; C153-E309 PolarHBondContact SG-O 2.96Å; C153-E309 VanDerWaalsContact SG-O 3.42Å; F156-E309 HydrophobicContact CB-CG 4.14Å; K305-E309 WeakPolarHBondContact CE-OE1 3.48Å; K305-E309 IonicContact NZ-OE1 3.91Å; K305-E309 PolarHBondContact NZ-OE1 3Å; K305-E309 WeakPolarHBondContact O-CG 3.43Å; K305-E309 PolarHBondContact O-N 3.25Å; L306-E309 PolarHBondContact O-N 2.92Å; L307-E309 PolarHBondContact O-N 2.97Å; E309-M312 PolarHBondContact O-N 3.45Å; E309-K313 WeakPolarHBondContact O-CB 3.21Å; E309-K313 WeakPolarHBondContact O-CG 3.38Å; E309-K313 PolarHBondContact O-N 3.12Å; E309-K313 WeakPolarHBondContact OE2-CE 3.35Å; E309-K313 IonicContact OE2-NZ 2.93Å; E309-K313 PolarHBondContact OE2-NZ 3.08Å
310L98.4Very high96.5Very high1 Ų140.2 Ų40.21%0.00522%0.216CC..Hα-helixtrans-61.8-50.6175.1-175.276.3000111.1L150 V279 L282 R283 L286 L306 L307 E308 M312 F314L150-L310 HydrophobicContact CD1-CD1 4.05Å; V279-L310 HydrophobicContact CG1-CG 4.43Å; L282-L310 HydrophobicContact CB-CD2 3.76Å; L282-L310 HydrophobicContact CD1-CD1 4.27Å; R283-L310 HydrophobicContact CB-CD2 4.32Å; L286-L310 HydrophobicContact CD1-CD2 3.95Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 2.98Å; L307-L310 WeakPolarHBondContact O-CB 3.36Å; L307-L310 PolarHBondContact O-N 3.12Å; E308-L310 VanDerWaalsContact C-N 3.34Å; E308-L310 PolarHBondContact O-N 3.42Å; L310-M312 VanDerWaalsContact C-N 3.31Å; L310-M312 PolarHBondContact O-N 3.25Å; L310-F314 HydrophobicContact CD1-CD2 3.73Å; L310-F314 HydrophobicContact CD1-CE2 3.86Å; L310-F314 HydrophobicContact CG-CD2 4.43Å; L310-F314 WeakPolarHBondContact O-CB 3.29Å; L310-F314 WeakPolarHBondContact O-CD2 3.39Å; L310-F314 PolarHBondContact O-N 2.65Å; L310-F314 VanDerWaalsContact O-N 3.09Å
311E97.5Very high96.4Very high74 Ų7442.1 Ų42.135%0.34623%0.225SC..Hα-helixtrans-61.7-40.2179.2-72.4-176.2161.500111.3R287 L307 E308 A315R287-E311 IonicContact CZ-OE1 3.82Å; R287-E311 IonicContact NE-OE1 3.43Å; R287-E311 IonicContact NH2-OE1 3.59Å; R287-E311 PolarHBondContact NH2-OE1 2.69Å; L307-E311 HydrophobicContact CD1-CG 4.15Å; L307-E311 WeakPolarHBondContact O-CG 3.44Å; L307-E311 PolarHBondContact O-N 2.94Å; E308-E311 PolarHBondContact O-N 3.42Å; E311-A315 WeakPolarHBondContact O-CA 3.19Å; E311-A315 WeakPolarHBondContact O-CB 3.47Å; E311-A315 PolarHBondContact O-N 3.13Å; E311-A315 VanDerWaalsContact O-N 3.11Å
312M96.9Very high96.3Very high122 Ų12242.4 Ų42.460%0.60122%0.223SC*.Hα-helixtrans-67.4-51.9178.1-173.1-170.7-58.600112.8E308 E309 L310 F314 A315E308-M312 VanDerWaalsContact O-CB 3.3Å; E308-M312 WeakPolarHBondContact O-CB 3.26Å; E308-M312 PolarHBondContact O-N 2.9Å; E309-M312 PolarHBondContact O-N 3.45Å; L310-M312 VanDerWaalsContact C-N 3.31Å; L310-M312 PolarHBondContact O-N 3.25Å; M312-F314 VanDerWaalsContact C-N 3.32Å; M312-F314 PolarHBondContact O-N 3.44Å; M312-A315 PolarHBondContact O-N 3.06Å
313K95.9Very high96.2Very high9 Ų943.3 Ų43.34%0.03923%0.227CC..Hα-helixtrans-75.2-22.3-172.8-64.2-169.4-152.3-49.70113.4L142 M152 F156 E309L142-K313 HydrophobicContact CD1-CB 4.47Å; L142-K313 HydrophobicContact CD2-CD 4.36Å; L142-K313 HydrophobicContact CD2-CG 4.22Å; M152-K313 HydrophobicContact CB-CD 4.09Å; F156-K313 VanDerWaalsContact CD2-NZ 3.35Å; E309-K313 WeakPolarHBondContact O-CB 3.21Å; E309-K313 WeakPolarHBondContact O-CG 3.38Å; E309-K313 PolarHBondContact O-N 3.12Å; E309-K313 WeakPolarHBondContact OE2-CE 3.35Å; E309-K313 IonicContact OE2-NZ 2.93Å; E309-K313 PolarHBondContact OE2-NZ 3.08Å
314F97.1Very high96.2Very high1 Ų143.4 Ų43.40%0.00423%0.227CC..THydrogen-bonded Turntrans-107.710.6178.4-67.8-92.6000113.4R149 L150 W265 V275 V279 L310 M312 H316 I317R149-F314 HydrophobicContact CB-CE1 4.24Å; R149-F314 HydrophobicContact CB-CE2 3.76Å; R149-F314 HydrophobicContact CB-CZ 3.5Å; L150-F314 HydrophobicContact CB-CE2 4.47Å; L150-F314 HydrophobicContact CB-CZ 4.33Å; W265-F314 AromaticContact CH2-CE1 3.92Å; W265-F314 HydrophobicContact CH2-CE1 3.92Å; W265-F314 AromaticContact CH2-CZ 3.98Å; W265-F314 HydrophobicContact CH2-CZ 3.98Å; W265-F314 HydrophobicContact CZ3-CE1 4.36Å; W265-F314 HydrophobicContact CZ3-CZ 4.1Å; V275-F314 HydrophobicContact CG1-CD1 4.4Å; V275-F314 HydrophobicContact CG1-CE1 4.34Å; V279-F314 HydrophobicContact CG1-CB 3.99Å; V279-F314 HydrophobicContact CG1-CG 4.31Å; V279-F314 HydrophobicContact CG2-CB 4.38Å; V279-F314 HydrophobicContact CG2-CD1 3.57Å; V279-F314 HydrophobicContact CG2-CE1 3.88Å; V279-F314 HydrophobicContact CG2-CG 3.93Å; V279-F314 HydrophobicContact CG2-CZ 4.48Å; L310-F314 HydrophobicContact CD1-CD2 3.73Å; L310-F314 HydrophobicContact CD1-CE2 3.86Å; L310-F314 HydrophobicContact CG-CD2 4.43Å; L310-F314 WeakPolarHBondContact O-CB 3.29Å; L310-F314 WeakPolarHBondContact O-CD2 3.39Å; L310-F314 PolarHBondContact O-N 2.65Å; L310-F314 VanDerWaalsContact O-N 3.09Å; M312-F314 VanDerWaalsContact C-N 3.32Å; M312-F314 PolarHBondContact O-N 3.44Å; F314-H316 PolarHBondContact O-N 3.09Å; F314-H316 VanDerWaalsContact O-N 3.08Å; F314-I317 HydrophobicContact CB-CD1 4.2Å; F314-I317 HydrophobicContact CB-CG2 4.28Å; F314-I317 HydrophobicContact CD1-CD1 4.46Å; F314-I317 HydrophobicContact CD1-CG2 3.98Å; F314-I317 VanDerWaalsContact O-CG1 3.31Å; F314-I317 WeakPolarHBondContact O-CG1 3.2Å; F314-I317 PolarHBondContact O-N 3.45Å; F314-I317 VanDerWaalsContact O-N 3.16Å
315A94.9Very high96.2Very high64 Ų6438.1 Ų38.153%0.52921%0.207SC..G310 helixtrans-55.1-31.2-177.200000114.8E311 M312 T318E311-A315 WeakPolarHBondContact O-CA 3.19Å; E311-A315 WeakPolarHBondContact O-CB 3.47Å; E311-A315 PolarHBondContact O-N 3.13Å; E311-A315 VanDerWaalsContact O-N 3.11Å; M312-A315 PolarHBondContact O-N 3.06Å; A315-T318 PolarHBondContact O-OG1 3.06Å
316H92.9Very high96.1Very high51 Ų5135.8 Ų35.824%0.23620%0.197CC..G310 helixtrans-85.8-10.6-175.965.3-75.4000114.1R149 F314 T318 S319 D320R149-H316 PolarHBondContact NH1-CE1 3.49Å; R149-H316 PolarHBondContact NH1-NE2 3.13Å; R149-H316 PolarHBondContact NH2-CE1 2.66Å; R149-H316 PolarHBondContact NH2-NE2 2.95Å; F314-H316 PolarHBondContact O-N 3.09Å; F314-H316 VanDerWaalsContact O-N 3.08Å; H316-T318 PolarHBondContact O-N 3.31Å; H316-T318 VanDerWaalsContact O-N 3.1Å; H316-S319 PolarHBondContact O-N 3.5Å; H316-S319 PolarHBondContact O-OG 3.4Å; H316-S319 VanDerWaalsContact O-OG 3.1Å; H316-D320 WeakPolarHBondContact O-CB 3.12Å; H316-D320 PolarHBondContact O-N 3.41Å
317I94.4Very high96.1Very high3 Ų335.8 Ų35.82%0.01520%0.197CC..G310 helixtrans-64.9-20.8-174.772.1-179000112.6V275 I276 V279 F314 F323V275-I317 HydrophobicContact CG1-CD1 4.37Å; V275-I317 HydrophobicContact CG1-CG2 4.35Å; I276-I317 WeakPolarHBondContact CD1-O 3.38Å; I276-I317 HydrophobicContact CG1-CB 4.33Å; I276-I317 HydrophobicContact CG1-CD1 4.11Å; I276-I317 HydrophobicContact CG1-CG1 4.11Å; V279-I317 HydrophobicContact CB-CD1 3.76Å; V279-I317 HydrophobicContact CG1-CD1 3.79Å; V279-I317 HydrophobicContact CG2-CD1 3.9Å; F314-I317 HydrophobicContact CB-CD1 4.2Å; F314-I317 HydrophobicContact CB-CG2 4.28Å; F314-I317 HydrophobicContact CD1-CD1 4.46Å; F314-I317 HydrophobicContact CD1-CG2 3.98Å; F314-I317 VanDerWaalsContact O-CG1 3.31Å; F314-I317 WeakPolarHBondContact O-CG1 3.2Å; F314-I317 PolarHBondContact O-N 3.45Å; F314-I317 VanDerWaalsContact O-N 3.16Å; I317-F323 HydrophobicContact CB-CB 4.36Å; I317-F323 HydrophobicContact CB-CD1 4.4Å; I317-F323 HydrophobicContact CB-CD2 4.3Å; I317-F323 HydrophobicContact CB-CG 4.11Å; I317-F323 HydrophobicContact CG2-CD1 4.33Å; I317-F323 HydrophobicContact CG2-CD2 4.26Å; I317-F323 HydrophobicContact CG2-CE1 4.3Å; I317-F323 HydrophobicContact CG2-CE2 4.21Å; I317-F323 HydrophobicContact CG2-CG 4.31Å; I317-F323 HydrophobicContact CG2-CZ 4.24Å; I317-F323 WeakPolarHBondContact O-CB 3.32Å
318T90.1Very high96Very high56 Ų5635 Ų3534%0.34419%0.193SC..G310 helixtrans-88.3-8.4176.452.50000113.2A315 H316 E342A315-T318 PolarHBondContact O-OG1 3.06Å; H316-T318 PolarHBondContact O-N 3.31Å; H316-T318 VanDerWaalsContact O-N 3.1Å; T318-E342 WeakPolarHBondContact CB-OE1 3.44Å
319S92.5Very high95.9Very high83 Ų8330.9 Ų30.958%0.5817%0.174SC*.THydrogen-bonded Turntrans-115.6-19.7177.159.50000113.6H316 I321H316-S319 PolarHBondContact O-N 3.5Å; H316-S319 PolarHBondContact O-OG 3.4Å; H316-S319 VanDerWaalsContact O-OG 3.1Å; S319-I321 PolarHBondContact O-N 3.24Å
320D94.6Very high95.9Very high47 Ų4730.3 Ų30.325%0.25117%0.171SC..  trans-79.2118175.9-179-22000110.8H316 N322 F323 L324H316-D320 WeakPolarHBondContact O-CB 3.12Å; H316-D320 PolarHBondContact O-N 3.41Å; D320-N322 PolarHBondContact O-N 3.37Å; D320-N322 VanDerWaalsContact O-N 3.15Å; D320-N322 WeakPolarHBondContact OD1-CB 3.31Å; D320-N322 PolarHBondContact OD1-N 3.05Å; D320-N322 PolarHBondContact OD1-ND2 3.13Å; D320-F323 HydrophobicContact CB-CD2 3.81Å; D320-F323 HydrophobicContact CB-CE2 4.48Å; D320-F323 PolarHBondContact O-N 3.01Å; D320-L324 WeakPolarHBondContact O-CG 3.47Å; D320-L324 PolarHBondContact O-N 3.22Å
321I95.1Very high95.8Very high48 Ų4830.2 Ų30.225%0.24617%0.171CC..Hα-helixtrans-60.8-26.9-174.8-164.457.6000113.2S319 L324 M325 E349S319-I321 PolarHBondContact O-N 3.24Å; I321-L324 HydrophobicContact CD1-CB 4.45Å; I321-L324 HydrophobicContact CD1-CD1 4.48Å; I321-M325 HydrophobicContact CD1-CG 3.95Å; I321-M325 HydrophobicContact CG1-CG 3.88Å; I321-M325 WeakPolarHBondContact O-CB 3.33Å; I321-M325 WeakPolarHBondContact O-CG 3.44Å; I321-M325 PolarHBondContact O-N 2.9Å; I321-E349 HydrophobicContact CD1-CB 3.68Å; I321-E349 HydrophobicContact CD1-CG 4.02Å; I321-E349 HydrophobicContact CG1-CB 3.8Å; I321-E349 HydrophobicContact CG1-CG 3.55Å
322N95.1Very high95.7Very high51 Ų5128.3 Ų28.327%0.27316%0.16SC..Hα-helixtrans-67.9-42.7179.3-59.8-59.8000111.4H128 D320 A326H128-N322 PolarHBondContact CE1-OD1 3.06Å; D320-N322 PolarHBondContact O-N 3.37Å; D320-N322 VanDerWaalsContact O-N 3.15Å; D320-N322 WeakPolarHBondContact OD1-CB 3.31Å; D320-N322 PolarHBondContact OD1-N 3.05Å; D320-N322 PolarHBondContact OD1-ND2 3.13Å; N322-A326 WeakPolarHBondContact O-CB 3.37Å; N322-A326 PolarHBondContact O-N 3.43Å
323F96.7Very high95.6Very high18 Ų1823 Ų238%0.07913%0.133CC..Hα-helixtrans-68.6-42.1176.8-72-80.4000111.4T272 V275 I276 I317 D320 T327T272-F323 HydrophobicContact CG2-CD1 3.21Å; T272-F323 HydrophobicContact CG2-CE1 3.36Å; T272-F323 HydrophobicContact CG2-CG 4.02Å; T272-F323 HydrophobicContact CG2-CZ 4.27Å; V275-F323 HydrophobicContact CB-CD1 3.86Å; V275-F323 HydrophobicContact CB-CE1 3.88Å; V275-F323 HydrophobicContact CG1-CD1 3.89Å; V275-F323 HydrophobicContact CG1-CE1 3.66Å; V275-F323 HydrophobicContact CG2-CD1 4.36Å; V275-F323 HydrophobicContact CG2-CE1 4.01Å; I276-F323 HydrophobicContact CD1-CB 4.07Å; I276-F323 HydrophobicContact CG1-CB 4.27Å; I317-F323 HydrophobicContact CB-CB 4.36Å; I317-F323 HydrophobicContact CB-CD1 4.4Å; I317-F323 HydrophobicContact CB-CD2 4.3Å; I317-F323 HydrophobicContact CB-CG 4.11Å; I317-F323 HydrophobicContact CG2-CD1 4.33Å; I317-F323 HydrophobicContact CG2-CD2 4.26Å; I317-F323 HydrophobicContact CG2-CE1 4.3Å; I317-F323 HydrophobicContact CG2-CE2 4.21Å; I317-F323 HydrophobicContact CG2-CG 4.31Å; I317-F323 HydrophobicContact CG2-CZ 4.24Å; I317-F323 WeakPolarHBondContact O-CB 3.32Å; D320-F323 HydrophobicContact CB-CD2 3.81Å; D320-F323 HydrophobicContact CB-CE2 4.48Å; D320-F323 PolarHBondContact O-N 3.01Å; F323-T327 WeakPolarHBondContact O-CB 3.4Å; F323-T327 PolarHBondContact O-N 3.16Å; F323-T327 PolarHBondContact O-OG1 3.11Å
324L97.4Very high95.5Very high2 Ų222.8 Ų22.81%0.0113%0.133CC..Hα-helixtrans-61.5-51.7177.2-65.1179.6000111.3I276 D320 I321 T327 Y328 F338 E342 L345 V346I276-L324 HydrophobicContact CD1-CD2 3.89Å; D320-L324 WeakPolarHBondContact O-CG 3.47Å; D320-L324 PolarHBondContact O-N 3.22Å; I321-L324 HydrophobicContact CD1-CB 4.45Å; I321-L324 HydrophobicContact CD1-CD1 4.48Å; L324-T327 PolarHBondContact O-N 3.08Å; L324-Y328 VanDerWaalsContact O-CB 3.24Å; L324-Y328 WeakPolarHBondContact O-CB 3.39Å; L324-Y328 PolarHBondContact O-N 3.49Å; L324-F338 HydrophobicContact CB-CE1 3.99Å; L324-F338 HydrophobicContact CD2-CD1 4.2Å; L324-F338 HydrophobicContact CD2-CE1 3.59Å; L324-F338 HydrophobicContact CD2-CZ 4.3Å; L324-F338 HydrophobicContact CG-CE1 4.37Å; L324-F338 VanDerWaalsContact O-CZ 3.3Å; L324-F338 WeakPolarHBondContact O-CZ 3.33Å; L324-E342 HydrophobicContact CD2-CB 4.23Å; L324-E342 HydrophobicContact CD2-CG 4.34Å; L324-L345 HydrophobicContact CD1-CB 4.4Å; L324-L345 HydrophobicContact CD1-CD1 4.22Å; L324-V346 HydrophobicContact CB-CG2 3.79Å
325M97.4Very high95.3Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-62.2-46179.1-73.3-69-73.700112.1I321 T327 L329 V346 E349 V350 I447 F451I321-M325 HydrophobicContact CD1-CG 3.95Å; I321-M325 HydrophobicContact CG1-CG 3.88Å; I321-M325 WeakPolarHBondContact O-CB 3.33Å; I321-M325 WeakPolarHBondContact O-CG 3.44Å; I321-M325 PolarHBondContact O-N 2.9Å; M325-T327 PolarHBondContact O-N 3.09Å; M325-L329 HydrophobicContact CE-CD1 3.99Å; M325-L329 VanDerWaalsContact O-CB 3.27Å; M325-L329 WeakPolarHBondContact O-CB 3.45Å; M325-L329 VanDerWaalsContact O-CG 3.23Å; M325-L329 WeakPolarHBondContact O-CG 3.42Å; M325-L329 PolarHBondContact O-N 3.1Å; M325-V346 HydrophobicContact SD-CB 4.33Å; M325-V346 HydrophobicContact SD-CG1 3.75Å; M325-V346 HydrophobicContact SD-CG2 4.49Å; M325-E349 HydrophobicContact CE-CG 4.08Å; M325-E349 HydrophobicContact CG-CB 4.41Å; M325-E349 HydrophobicContact CG-CG 3.98Å; M325-E349 HydrophobicContact SD-CB 3.91Å; M325-E349 HydrophobicContact SD-CG 3.9Å; M325-V350 HydrophobicContact CE-CG2 3.71Å; M325-V350 HydrophobicContact SD-CG2 4.01Å; M325-I447 HydrophobicContact CE-CG2 3.4Å; M325-I447 VanDerWaalsContact CE-CG2 3.4Å; M325-F451 HydrophobicContact CB-CB 4.14Å; M325-F451 HydrophobicContact CB-CD1 3.38Å; M325-F451 HydrophobicContact CB-CD2 4.13Å; M325-F451 HydrophobicContact CB-CE1 3.67Å; M325-F451 HydrophobicContact CB-CE2 4.4Å; M325-F451 HydrophobicContact CB-CG 3.62Å; M325-F451 HydrophobicContact CB-CZ 4.17Å; M325-F451 HydrophobicContact CE-CD2 3.86Å; M325-F451 HydrophobicContact CE-CE2 3.66Å; M325-F451 HydrophobicContact CE-CZ 4.13Å; M325-F451 HydrophobicContact CG-CD1 4.09Å; M325-F451 HydrophobicContact CG-CE1 3.84Å; M325-F451 HydrophobicContact CG-CE2 4.36Å; M325-F451 HydrophobicContact CG-CG 4.43Å; M325-F451 HydrophobicContact CG-CZ 3.98Å
326A97Very high95.1Very high1 Ų123.3 Ų23.31%0.00813%0.128CC..Hα-helixtrans-61.2-45.4178.800000111.6T272 S273 N322 D330 F451 L452T272-A326 HydrophobicContact CG2-CB 4.42Å; S273-A326 WeakPolarHBondContact CB-O 3.33Å; N322-A326 WeakPolarHBondContact O-CB 3.37Å; N322-A326 PolarHBondContact O-N 3.43Å; A326-D330 PolarHBondContact O-N 3.42Å; A326-F451 WeakPolarHBondContact CB-O 3.4Å; A326-L452 HydrophobicContact CB-CD2 4.47Å; A326-L452 WeakPolarHBondContact O-CD2 3.37Å
327T97.9Very high95.1Very high0 Ų022.4 Ų22.40%012%0.123CC..Hα-helixtrans-68.5-43.6-178.8-53.50000111.6S273 I276 P277 F323 L324 M325 D330 Y333 F338S273-T327 PolarHBondContact O-OG1 3.36Å; I276-T327 HydrophobicContact CB-CG2 4.09Å; I276-T327 HydrophobicContact CG2-CG2 4.49Å; P277-T327 HydrophobicContact CG-CG2 3.94Å; F323-T327 WeakPolarHBondContact O-CB 3.4Å; F323-T327 PolarHBondContact O-N 3.16Å; F323-T327 PolarHBondContact O-OG1 3.11Å; L324-T327 PolarHBondContact O-N 3.08Å; M325-T327 PolarHBondContact O-N 3.09Å; T327-D330 WeakPolarHBondContact O-CB 3.16Å; T327-D330 PolarHBondContact O-N 3.1Å; T327-Y333 HydrophobicContact CG2-CD2 4.26Å; T327-Y333 HydrophobicContact CG2-CG 4.46Å; T327-F338 HydrophobicContact CG2-CE2 3.84Å; T327-F338 HydrophobicContact CG2-CZ 4.2Å
328Y97.5Very high95.1Very high5 Ų523.4 Ų23.42%0.0213%0.127CC..Hα-helixtrans-67-42.1-178.1-172.8-84.2000112.6L324 D330 K334 Q335 F338 E343 V346 L416 Y419 N420L324-Y328 VanDerWaalsContact O-CB 3.24Å; L324-Y328 WeakPolarHBondContact O-CB 3.39Å; L324-Y328 PolarHBondContact O-N 3.49Å; Y328-D330 PolarHBondContact O-N 2.88Å; Y328-K334 WeakPolarHBondContact O-CA 3.4Å; Y328-Q335 HydrophobicContact CD2-CG 4.29Å; Y328-Q335 HydrophobicContact CE2-CG 3.57Å; Y328-F338 HydrophobicContact CD2-CD1 4.47Å; Y328-F338 HydrophobicContact CD2-CE1 4.35Å; Y328-F338 HydrophobicContact CD2-CE2 4.42Å; Y328-F338 HydrophobicContact CD2-CZ 4.34Å; Y328-E343 HydrophobicContact CE2-CG 4.43Å; Y328-V346 HydrophobicContact CD1-CG1 3.63Å; Y328-V346 HydrophobicContact CD2-CB 4.4Å; Y328-V346 HydrophobicContact CD2-CG1 3.96Å; Y328-V346 HydrophobicContact CD2-CG2 4.4Å; Y328-V346 HydrophobicContact CE1-CG1 3.99Å; Y328-V346 HydrophobicContact CE2-CG1 4.26Å; Y328-V346 HydrophobicContact CG-CB 4.43Å; Y328-V346 HydrophobicContact CG-CG1 3.6Å; Y328-V346 HydrophobicContact CG-CG2 4.41Å; Y328-L416 HydrophobicContact CE1-CD2 4.28Å; Y328-Y419 HydrophobicContact CD1-CE1 4.05Å; Y328-Y419 HydrophobicContact CE1-CD1 4.01Å; Y328-Y419 AromaticContact CE1-CE1 3.92Å; Y328-Y419 HydrophobicContact CE1-CE1 3.92Å; Y328-Y419 WeakPolarHBondContact O-CE1 3.41Å; Y328-Y419 PolarHBondContact O-OH 2.94Å; Y328-N420 PolarHBondContact OH-ND2 3.27Å; Y328-N420 PolarHBondContact OH-OD1 2.95Å
329L96.8Very high95.2Very high0 Ų024.3 Ų24.30%013%0.133CC..THydrogen-bonded Turntrans-75.1-3.9178.9-65.7172.2000113M325 P331 Y419 W435 I447 V448 F451M325-L329 HydrophobicContact CE-CD1 3.99Å; M325-L329 VanDerWaalsContact O-CB 3.27Å; M325-L329 WeakPolarHBondContact O-CB 3.45Å; M325-L329 VanDerWaalsContact O-CG 3.23Å; M325-L329 WeakPolarHBondContact O-CG 3.42Å; M325-L329 PolarHBondContact O-N 3.1Å; L329-P331 WeakPolarHBondContact O-CD 3.27Å; L329-Y419 VanDerWaalsContact C-OH 3.25Å; L329-Y419 PolarHBondContact O-OH 2.95Å; L329-W435 HydrophobicContact CB-CZ2 4.38Å; L329-W435 HydrophobicContact CD2-CH2 4.39Å; L329-W435 HydrophobicContact CD2-CZ2 4.23Å; L329-W435 VanDerWaalsContact O-CZ2 3.31Å; L329-W435 WeakPolarHBondContact O-CZ2 3.38Å; L329-W435 PolarHBondContact O-NE1 3.18Å; L329-I447 HydrophobicContact CD1-CG2 3.66Å; L329-V448 HydrophobicContact CB-CG2 4.45Å; L329-V448 HydrophobicContact CD1-CG2 4.33Å; L329-V448 HydrophobicContact CD2-CG2 4.26Å; L329-F451 HydrophobicContact CD1-CB 4.31Å
330D97.3Very high95.1Very high0 Ų025.9 Ų25.90%013%0.131CC..SBendtrans-83.1114.5170.4-165-41.3000110S273 A326 T327 Y328 R332 Y333 K334 Y419S273-D330 WeakPolarHBondContact CB-OD2 3.41Å; S273-D330 PolarHBondContact OG-OD2 3.3Å; A326-D330 PolarHBondContact O-N 3.42Å; T327-D330 WeakPolarHBondContact O-CB 3.16Å; T327-D330 PolarHBondContact O-N 3.1Å; Y328-D330 PolarHBondContact O-N 2.88Å; D330-R332 PolarHBondContact O-N 2.97Å; D330-R332 VanDerWaalsContact OD1-CB 3.22Å; D330-R332 WeakPolarHBondContact OD1-CB 3.45Å; D330-R332 WeakPolarHBondContact OD1-CG 3.4Å; D330-R332 IonicContact OD1-CZ 2.72Å; D330-R332 PolarHBondContact OD1-N 3.49Å; D330-R332 IonicContact OD1-NE 3.39Å; D330-R332 PolarHBondContact OD1-NE 2.99Å; D330-R332 IonicContact OD1-NH2 3.31Å; D330-R332 IonicContact OD2-CZ 2.69Å; D330-R332 IonicContact OD2-NE 2.57Å; D330-R332 PolarHBondContact OD2-NE 3.27Å; D330-R332 IonicContact OD2-NH2 3.09Å; D330-R332 PolarHBondContact OD2-NH2 2.89Å; D330-Y333 HydrophobicContact CB-CD2 3.77Å; D330-Y333 HydrophobicContact CB-CE2 4.37Å; D330-Y333 PolarHBondContact O-N 3.16Å; D330-K334 PolarHBondContact O-N 2.92Å; D330-Y419 PolarHBondContact O-OH 3.43Å
331P96.3Very high95Very high0 Ų032.8 Ų32.80%015%0.154CC..THydrogen-bonded Turntrans-63.6-11-177.826.1-36.1000113.7L329 R424 I425 P431 W434L329-P331 WeakPolarHBondContact O-CD 3.27Å; P331-R424 VanDerWaalsContact O-CA 3.29Å; P331-R424 WeakPolarHBondContact O-CA 3.21Å; P331-I425 HydrophobicContact CB-CD1 4.22Å; P331-I425 HydrophobicContact CB-CG1 4.18Å; P331-I425 HydrophobicContact CG-CD1 3.67Å; P331-I425 HydrophobicContact CG-CG1 4.13Å; P331-I425 PolarHBondContact O-N 2.85Å; P331-P431 HydrophobicContact CG-CB 3.87Å; P331-W434 HydrophobicContact CB-CD2 3.85Å; P331-W434 HydrophobicContact CB-CE3 3.86Å; P331-W434 HydrophobicContact CB-CG 4.27Å; P331-W434 HydrophobicContact CB-CZ3 4.28Å; P331-W434 HydrophobicContact CG-CB 4.11Å; P331-W434 HydrophobicContact CG-CD2 3.99Å; P331-W434 HydrophobicContact CG-CE3 3.89Å; P331-W434 HydrophobicContact CG-CG 4.12Å
332R96.1Very high94.9Very high34 Ų3431.9 Ų31.913%0.12815%0.148CC..THydrogen-bonded Turntrans-74.8-29172-62.8173.9-66.3176.92.4112.6D330 R424 I425 R427D330-R332 PolarHBondContact O-N 2.97Å; D330-R332 VanDerWaalsContact OD1-CB 3.22Å; D330-R332 WeakPolarHBondContact OD1-CB 3.45Å; D330-R332 WeakPolarHBondContact OD1-CG 3.4Å; D330-R332 IonicContact OD1-CZ 2.72Å; D330-R332 PolarHBondContact OD1-N 3.49Å; D330-R332 IonicContact OD1-NE 3.39Å; D330-R332 PolarHBondContact OD1-NE 2.99Å; D330-R332 IonicContact OD1-NH2 3.31Å; D330-R332 IonicContact OD2-CZ 2.69Å; D330-R332 IonicContact OD2-NE 2.57Å; D330-R332 PolarHBondContact OD2-NE 3.27Å; D330-R332 IonicContact OD2-NH2 3.09Å; D330-R332 PolarHBondContact OD2-NH2 2.89Å; R332-R424 VanDerWaalsContact O-CD 3.3Å; R332-R424 WeakPolarHBondContact O-CD 3.38Å; R332-I425 HydrophobicContact CG-CD1 4Å; R332-I425 HydrophobicContact CG-CG1 3.57Å; R332-R427 WeakPolarHBondContact CD-O 3.49Å; R332-R427 PolarHBondContact NH1-O 2.81Å
333Y95.3Very high94.7Very high10 Ų1031.7 Ų31.74%0.03915%0.146CC..THydrogen-bonded Turntrans-115.3-48.9-170.9-51.6-52.4000112.5S273 P277 T327 D330 Q335 A336 F337S273-Y333 WeakPolarHBondContact O-CD2 3.46Å; S273-Y333 WeakPolarHBondContact O-CE2 3.35Å; P277-Y333 HydrophobicContact CB-CD1 4.04Å; P277-Y333 HydrophobicContact CB-CE1 3.83Å; P277-Y333 HydrophobicContact CB-CG 4.49Å; P277-Y333 HydrophobicContact CG-CD1 3.59Å; P277-Y333 HydrophobicContact CG-CD2 3.66Å; P277-Y333 HydrophobicContact CG-CE1 3.71Å; P277-Y333 HydrophobicContact CG-CE2 3.81Å; P277-Y333 HydrophobicContact CG-CG 3.56Å; T327-Y333 HydrophobicContact CG2-CD2 4.26Å; T327-Y333 HydrophobicContact CG2-CG 4.46Å; D330-Y333 HydrophobicContact CB-CD2 3.77Å; D330-Y333 HydrophobicContact CB-CE2 4.37Å; D330-Y333 PolarHBondContact O-N 3.16Å; Y333-Q335 PolarHBondContact O-N 3.44Å; Y333-A336 WeakPolarHBondContact O-CB 3.07Å; Y333-A336 PolarHBondContact O-N 3.15Å; Y333-F337 AromaticContact CD1-CE2 3.84Å; Y333-F337 HydrophobicContact CD1-CE2 3.84Å; Y333-F337 HydrophobicContact CG-CE2 4.29Å
334K93.6Very high94.4Very high5 Ų536.2 Ų36.22%0.02217%0.167CC..G310 helixtrans48.6-129.6-177.3-52.5-171.1179.9-171.80111.3Y328 D330 A336 F338 Y419 E422 P423 R424Y328-K334 WeakPolarHBondContact O-CA 3.4Å; D330-K334 PolarHBondContact O-N 2.92Å; K334-A336 VanDerWaalsContact C-N 3.29Å; K334-A336 PolarHBondContact O-N 3.27Å; K334-F338 WeakPolarHBondContact O-CD2 3.45Å; K334-F338 VanDerWaalsContact O-CE2 3.26Å; K334-F338 WeakPolarHBondContact O-CE2 3.49Å; K334-Y419 HydrophobicContact CD-CE1 4.39Å; K334-Y419 HydrophobicContact CG-CE1 4.14Å; K334-Y419 PolarHBondContact NZ-O 3.43Å; K334-E422 VanDerWaalsContact NZ-C 3.29Å; K334-E422 VanDerWaalsContact NZ-CB 3.28Å; K334-E422 PolarHBondContact NZ-O 2.94Å; K334-P423 PolarHBondContact NZ-O 2.9Å; K334-R424 HydrophobicContact CD-CG 4.2Å; K334-R424 HydrophobicContact CG-CG 4.28Å
335Q91.8Very high94.2Very high56 Ų5639.5 Ų39.526%0.26218%0.184SC..G310 helixtrans-77.7-2.1-179.8-68.7169.9-44.200114.7Y328 Y333 F337 F338 E343 N420Y328-Q335 HydrophobicContact CD2-CG 4.29Å; Y328-Q335 HydrophobicContact CE2-CG 3.57Å; Y333-Q335 PolarHBondContact O-N 3.44Å; Q335-F337 PolarHBondContact O-N 3.13Å; Q335-F338 PolarHBondContact O-N 3.19Å; Q335-F338 VanDerWaalsContact O-N 3.12Å; Q335-E343 WeakPolarHBondContact CB-OE1 3.45Å; Q335-E343 HydrophobicContact CG-CG 4.3Å; Q335-E343 PolarHBondContact NE2-OE2 3.37Å; Q335-N420 PolarHBondContact NE2-ND2 2.92Å
336A92Very high94Very high20 Ų2039.5 Ų39.517%0.16518%0.184CC..G310 helixtrans-61.8-20.2-167.100000115.1Y333 K334 L392Y333-A336 WeakPolarHBondContact O-CB 3.07Å; Y333-A336 PolarHBondContact O-N 3.15Å; K334-A336 VanDerWaalsContact C-N 3.29Å; K334-A336 PolarHBondContact O-N 3.27Å; A336-L392 HydrophobicContact CB-CD2 3.6Å
337F93.4Very high93.8Very high32 Ų3240.7 Ų40.714%0.1419%0.194CC..G310 helixtrans-117.117-177.1-60.1-88.7000113.1I276 P277 A280 Y333 Q335 L388 I391 L392I276-F337 HydrophobicContact CG2-CB 3.79Å; I276-F337 HydrophobicContact CG2-CG 4.43Å; P277-F337 HydrophobicContact CB-CD1 4.5Å; P277-F337 HydrophobicContact CB-CD2 4.22Å; P277-F337 HydrophobicContact CB-CE1 4Å; P277-F337 HydrophobicContact CB-CE2 3.7Å; P277-F337 HydrophobicContact CB-CZ 3.59Å; P277-F337 HydrophobicContact CG-CD2 3.83Å; P277-F337 HydrophobicContact CG-CE2 3.69Å; P277-F337 HydrophobicContact CG-CG 4.38Å; P277-F337 HydrophobicContact CG-CZ 4.11Å; A280-F337 HydrophobicContact CB-CD1 3.95Å; A280-F337 HydrophobicContact CB-CE1 4.1Å; Y333-F337 AromaticContact CD1-CE2 3.84Å; Y333-F337 HydrophobicContact CD1-CE2 3.84Å; Y333-F337 HydrophobicContact CG-CE2 4.29Å; Q335-F337 PolarHBondContact O-N 3.13Å; F337-L388 HydrophobicContact CE1-CD2 4.3Å; F337-L388 HydrophobicContact CZ-CD2 3.92Å; F337-I391 HydrophobicContact CD1-CG2 4.14Å; F337-I391 HydrophobicContact CE1-CB 4.3Å; F337-I391 HydrophobicContact CE1-CD1 4.32Å; F337-I391 HydrophobicContact CE1-CG2 3.5Å; F337-I391 VanDerWaalsContact CE1-CG2 3.5Å; F337-I391 HydrophobicContact CZ-CG2 3.97Å; F337-L392 HydrophobicContact CE2-CD2 3.68Å; F337-L392 HydrophobicContact CZ-CD2 3.99Å; F337-L392 HydrophobicContact CZ-CG 4.38Å
338F93.2Very high93.5Very high23 Ų2344.9 Ų44.910%0.10122%0.216CC..  trans-114.2142.4-172-69-108.5000111.7L324 T327 Y328 K334 Q335 E342 E343 V346L324-F338 HydrophobicContact CB-CE1 3.99Å; L324-F338 HydrophobicContact CD2-CD1 4.2Å; L324-F338 HydrophobicContact CD2-CE1 3.59Å; L324-F338 HydrophobicContact CD2-CZ 4.3Å; L324-F338 HydrophobicContact CG-CE1 4.37Å; L324-F338 VanDerWaalsContact O-CZ 3.3Å; L324-F338 WeakPolarHBondContact O-CZ 3.33Å; T327-F338 HydrophobicContact CG2-CE2 3.84Å; T327-F338 HydrophobicContact CG2-CZ 4.2Å; Y328-F338 HydrophobicContact CD2-CD1 4.47Å; Y328-F338 HydrophobicContact CD2-CE1 4.35Å; Y328-F338 HydrophobicContact CD2-CE2 4.42Å; Y328-F338 HydrophobicContact CD2-CZ 4.34Å; K334-F338 WeakPolarHBondContact O-CD2 3.45Å; K334-F338 VanDerWaalsContact O-CE2 3.26Å; K334-F338 WeakPolarHBondContact O-CE2 3.49Å; Q335-F338 PolarHBondContact O-N 3.19Å; Q335-F338 VanDerWaalsContact O-N 3.12Å; F338-E342 HydrophobicContact CB-CB 4.38Å; F338-E342 HydrophobicContact CD1-CB 3.68Å; F338-E342 HydrophobicContact CE1-CB 4.49Å; F338-E342 HydrophobicContact CG-CB 4.47Å; F338-E343 HydrophobicContact CB-CG 3.58Å; F338-E343 HydrophobicContact CG-CG 4.3Å; F338-V346 HydrophobicContact CD1-CG2 4.43Å; F338-V346 HydrophobicContact CE1-CG2 3.81Å
339T92.8Very high93.3Very high76 Ų7646.4 Ų46.447%0.46622%0.224SC..  trans-81158.9159.163.70000109.9R341 E342 E343T339-R341 PolarHBondContact O-N 3.29Å; T339-R341 VanDerWaalsContact O-N 3.12Å; T339-E342 WeakPolarHBondContact CB-OE2 3.44Å; T339-E342 WeakPolarHBondContact CG2-OE2 3.39Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 PolarHBondContact O-N 3.19Å; T339-E342 WeakPolarHBondContact OG1-CG 3.33Å; T339-E342 PolarHBondContact OG1-N 2.83Å; T339-E342 PolarHBondContact OG1-OE2 3.23Å; T339-E343 PolarHBondContact O-N 2.86Å
340E89.8Confident93.1Very high115 Ų11546.4 Ų46.454%0.53722%0.224SC..Hα-helixtrans-53.8-36.3177.4-173.9178-17700112.7E343 Q344E340-E343 PolarHBondContact O-N 3.24Å; E340-Q344 PolarHBondContact O-N 3.14Å
341R91.8Very high92.8Very high193 Ų19347.9 Ų47.973%0.72823%0.232SC*.Hα-helixtrans-64.3-45.5176.4-179.2179.5175.9170.9-0.7111.8T339 Q344 L345T339-R341 PolarHBondContact O-N 3.29Å; T339-R341 VanDerWaalsContact O-N 3.12Å; R341-Q344 PolarHBondContact O-N 3.19Å; R341-L345 WeakPolarHBondContact O-CG 3.49Å; R341-L345 PolarHBondContact O-N 2.95Å; R341-L345 VanDerWaalsContact O-N 3.08Å
342E93.6Very high92.4Very high29 Ų2953.1 Ų53.114%0.13626%0.259CS..Hα-helixtrans-68.5-37.2-179.5-67.5156.215900111T318 L324 F338 T339 Q344 L345 V346T318-E342 WeakPolarHBondContact CB-OE1 3.44Å; L324-E342 HydrophobicContact CD2-CB 4.23Å; L324-E342 HydrophobicContact CD2-CG 4.34Å; F338-E342 HydrophobicContact CB-CB 4.38Å; F338-E342 HydrophobicContact CD1-CB 3.68Å; F338-E342 HydrophobicContact CE1-CB 4.49Å; F338-E342 HydrophobicContact CG-CB 4.47Å; T339-E342 WeakPolarHBondContact CB-OE2 3.44Å; T339-E342 WeakPolarHBondContact CG2-OE2 3.39Å; T339-E342 PolarHBondContact N-OE2 3.41Å; T339-E342 PolarHBondContact O-N 3.19Å; T339-E342 WeakPolarHBondContact OG1-CG 3.33Å; T339-E342 PolarHBondContact OG1-N 2.83Å; T339-E342 PolarHBondContact OG1-OE2 3.23Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.44Å; E342-L345 WeakPolarHBondContact O-CB 3.18Å; E342-L345 PolarHBondContact O-N 3.25Å; E342-V346 PolarHBondContact O-N 3.44Å
343E91.4Very high92.1Very high47 Ų4753.8 Ų53.822%0.2226%0.263CS..Hα-helixtrans-61-40.6172.3-65.1-172-162.100112.2Y328 Q335 F338 T339 E340 V346 A347Y328-E343 HydrophobicContact CE2-CG 4.43Å; Q335-E343 WeakPolarHBondContact CB-OE1 3.45Å; Q335-E343 HydrophobicContact CG-CG 4.3Å; Q335-E343 PolarHBondContact NE2-OE2 3.37Å; F338-E343 HydrophobicContact CB-CG 3.58Å; F338-E343 HydrophobicContact CG-CG 4.3Å; T339-E343 PolarHBondContact O-N 2.86Å; E340-E343 PolarHBondContact O-N 3.24Å; E343-V346 PolarHBondContact O-N 3.41Å; E343-A347 WeakPolarHBondContact O-CB 3.43Å; E343-A347 PolarHBondContact O-N 3.3Å
344Q89.8Confident91.7Very high113 Ų11355.3 Ų55.353%0.52827%0.272SS..Hα-helixtrans-65.1-37.3174.9-90.1173.70.500112.7E340 R341 E342 V346 A347 N348E340-Q344 PolarHBondContact O-N 3.14Å; R341-Q344 PolarHBondContact O-N 3.19Å; E342-Q344 VanDerWaalsContact C-N 3.32Å; E342-Q344 PolarHBondContact O-N 3.44Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; Q344-A347 PolarHBondContact O-N 2.82Å; Q344-N348 WeakPolarHBondContact O-CB 3.37Å; Q344-N348 PolarHBondContact O-N 3.46Å; Q344-N348 PolarHBondContact O-ND2 3.32Å
345L93Very high91Very high70 Ų7059.2 Ų59.237%0.36631%0.305SS..Hα-helixtrans-60.7-45.5173.6-68.1175.2000111L324 R341 E342 N348 E349L324-L345 HydrophobicContact CD1-CB 4.4Å; L324-L345 HydrophobicContact CD1-CD1 4.22Å; R341-L345 WeakPolarHBondContact O-CG 3.49Å; R341-L345 PolarHBondContact O-N 2.95Å; R341-L345 VanDerWaalsContact O-N 3.08Å; E342-L345 WeakPolarHBondContact O-CB 3.18Å; E342-L345 PolarHBondContact O-N 3.25Å; L345-N348 PolarHBondContact O-N 2.99Å; L345-E349 PolarHBondContact O-N 3.07Å
346V93.9Very high89.7Confident0 Ų059.4 Ų59.40%032%0.323CS..Hα-helixtrans-60.6-48.4175.5169.90000111.3L324 M325 Y328 F338 E342 E343 Q344 N348 E349 V350L324-V346 HydrophobicContact CB-CG2 3.79Å; M325-V346 HydrophobicContact SD-CB 4.33Å; M325-V346 HydrophobicContact SD-CG1 3.75Å; M325-V346 HydrophobicContact SD-CG2 4.49Å; Y328-V346 HydrophobicContact CD1-CG1 3.63Å; Y328-V346 HydrophobicContact CD2-CB 4.4Å; Y328-V346 HydrophobicContact CD2-CG1 3.96Å; Y328-V346 HydrophobicContact CD2-CG2 4.4Å; Y328-V346 HydrophobicContact CE1-CG1 3.99Å; Y328-V346 HydrophobicContact CE2-CG1 4.26Å; Y328-V346 HydrophobicContact CG-CB 4.43Å; Y328-V346 HydrophobicContact CG-CG1 3.6Å; Y328-V346 HydrophobicContact CG-CG2 4.41Å; F338-V346 HydrophobicContact CD1-CG2 4.43Å; F338-V346 HydrophobicContact CE1-CG2 3.81Å; E342-V346 PolarHBondContact O-N 3.44Å; E343-V346 PolarHBondContact O-N 3.41Å; Q344-V346 VanDerWaalsContact C-N 3.34Å; V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 3.18Å; V346-E349 PolarHBondContact O-N 3.48Å; V346-V350 HydrophobicContact CG1-CG2 4.35Å; V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 2.91Å
347A92Very high88Confident26 Ų2663.3 Ų63.322%0.21534%0.344CS..Hα-helixtrans-61.3-40.2-17900000112.4E343 Q344 L351 L416E343-A347 WeakPolarHBondContact O-CB 3.43Å; E343-A347 PolarHBondContact O-N 3.3Å; Q344-A347 PolarHBondContact O-N 2.82Å; A347-L351 WeakPolarHBondContact O-CB 3.44Å; A347-L351 PolarHBondContact O-N 3.22Å; A347-L351 VanDerWaalsContact O-N 3.13Å; A347-L416 HydrophobicContact CB-CD1 3.88Å
348N91.4Very high85.6Confident88 Ų8866.8 Ų66.847%0.47137%0.37SS..Hα-helixtrans-66.1-40175.7-70.8-20.7000111.8Q344 L345 V346 L351 L352Q344-N348 WeakPolarHBondContact O-CB 3.37Å; Q344-N348 PolarHBondContact O-N 3.46Å; Q344-N348 PolarHBondContact O-ND2 3.32Å; L345-N348 PolarHBondContact O-N 2.99Å; V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 3.18Å; N348-L351 WeakPolarHBondContact O-CB 3.44Å; N348-L351 PolarHBondContact O-N 3.39Å; N348-L352 WeakPolarHBondContact O-CG 3.49Å; N348-L352 PolarHBondContact O-N 3.48Å
349E94.1Very high83Confident38 Ų3874.9 Ų74.918%0.17841%0.408CS..Hα-helixtrans-67.5-42.8177-176.962.2-156.200112.1I321 M325 L345 V346 L351 L352 Q353 F451I321-E349 HydrophobicContact CD1-CB 3.68Å; I321-E349 HydrophobicContact CD1-CG 4.02Å; I321-E349 HydrophobicContact CG1-CB 3.8Å; I321-E349 HydrophobicContact CG1-CG 3.55Å; M325-E349 HydrophobicContact CE-CG 4.08Å; M325-E349 HydrophobicContact CG-CB 4.41Å; M325-E349 HydrophobicContact CG-CG 3.98Å; M325-E349 HydrophobicContact SD-CB 3.91Å; M325-E349 HydrophobicContact SD-CG 3.9Å; L345-E349 PolarHBondContact O-N 3.07Å; V346-E349 PolarHBondContact O-N 3.48Å; E349-L351 VanDerWaalsContact C-N 3.25Å; E349-L351 PolarHBondContact O-N 3.41Å; E349-L352 PolarHBondContact O-N 2.76Å; E349-L352 VanDerWaalsContact O-N 3.14Å; E349-Q353 HydrophobicContact CG-CG 4.35Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.04Å; E349-Q353 PolarHBondContact OE1-NE2 2.98Å; E349-F451 HydrophobicContact CG-CZ 4.46Å
350V93.1Very high80.3Confident0 Ų078.7 Ų78.70%043%0.426CS..Hα-helixtrans-55.1-46.2174.21700000110.3M325 V346 Q353 L354 I412 L416 L444 I447M325-V350 HydrophobicContact CE-CG2 3.71Å; M325-V350 HydrophobicContact SD-CG2 4.01Å; V346-V350 HydrophobicContact CG1-CG2 4.35Å; V346-V350 WeakPolarHBondContact O-CG2 3.39Å; V346-V350 PolarHBondContact O-N 2.91Å; V350-Q353 PolarHBondContact O-N 3.39Å; V350-L354 HydrophobicContact CG1-CD1 3.99Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.36Å; V350-I412 HydrophobicContact CG1-CG2 4.07Å; V350-L416 HydrophobicContact CB-CD1 4.33Å; V350-L416 HydrophobicContact CG1-CD1 4.34Å; V350-L416 HydrophobicContact CG1-CD2 4.3Å; V350-L416 HydrophobicContact CG2-CD1 4.43Å; V350-L416 HydrophobicContact CG2-CD2 4.32Å; V350-L444 HydrophobicContact CG1-CD2 3.72Å; V350-I447 HydrophobicContact CG1-CD1 4.13Å
351L89.6Confident77.7Confident31 Ų3179 Ų7916%0.16244%0.439CS..Hα-helixtrans-60.5-45.8177.2169.878.4000112.1A347 N348 E349 L354 A355 Q409 I412A347-L351 WeakPolarHBondContact O-CB 3.44Å; A347-L351 PolarHBondContact O-N 3.22Å; A347-L351 VanDerWaalsContact O-N 3.13Å; N348-L351 WeakPolarHBondContact O-CB 3.44Å; N348-L351 PolarHBondContact O-N 3.39Å; E349-L351 VanDerWaalsContact C-N 3.25Å; E349-L351 PolarHBondContact O-N 3.41Å; L351-L354 PolarHBondContact O-N 3.41Å; L351-A355 WeakPolarHBondContact O-CB 3.46Å; L351-A355 PolarHBondContact O-N 3.24Å; L351-Q409 HydrophobicContact CD1-CG 4.32Å; L351-I412 HydrophobicContact CD1-CD1 3.53Å
352L89.8Confident75Confident110 Ų11078.2 Ų78.258%0.57645%0.449SS*.Hα-helixtrans-61.4-44.2178-74.2170.2000111.6N348 E349 L354 A355 G356N348-L352 WeakPolarHBondContact O-CG 3.49Å; N348-L352 PolarHBondContact O-N 3.48Å; E349-L352 PolarHBondContact O-N 2.76Å; E349-L352 VanDerWaalsContact O-N 3.14Å; L352-L354 PolarHBondContact O-N 2.89Å; L352-A355 PolarHBondContact O-N 2.87Å; L352-G356 PolarHBondContact O-N 3.4Å
353Q88.6Confident72.3Confident47 Ų4779.5 Ų79.522%0.2247%0.47CS..Hα-helixtrans-64.6-38.8178.3-66.4-68.1-39.400111.6E349 V350 G356 V357 I447 F451E349-Q353 HydrophobicContact CG-CG 4.35Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.04Å; E349-Q353 PolarHBondContact OE1-NE2 2.98Å; V350-Q353 PolarHBondContact O-N 3.39Å; Q353-G356 PolarHBondContact O-N 3.05Å; Q353-V357 WeakPolarHBondContact O-CG2 3.31Å; Q353-I447 HydrophobicContact CB-CD1 3.69Å; Q353-I447 HydrophobicContact CB-CG1 3.88Å; Q353-F451 HydrophobicContact CG-CE2 4.27Å
354L86.4Confident70.2Confident43 Ų4382.5 Ų82.523%0.22548%0.484CS..Hα-helixtrans-70.7-31.5176.9-69.3176.7000113.1V350 L351 L352 G356 I412 S443 L444 I447V350-L354 HydrophobicContact CG1-CD1 3.99Å; V350-L354 HydrophobicContact CG1-CG 4.46Å; V350-L354 VanDerWaalsContact O-CG 3.31Å; V350-L354 WeakPolarHBondContact O-CG 3.32Å; V350-L354 PolarHBondContact O-N 3.36Å; L351-L354 PolarHBondContact O-N 3.41Å; L352-L354 PolarHBondContact O-N 2.89Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-I412 HydrophobicContact CB-CD1 4.27Å; L354-I412 HydrophobicContact CD1-CD1 3.77Å; L354-I412 HydrophobicContact CD1-CG1 3.77Å; L354-I412 HydrophobicContact CD1-CG2 4.04Å; L354-S443 VanDerWaalsContact CD2-O 3.26Å; L354-S443 WeakPolarHBondContact CD2-O 3.18Å; L354-L444 HydrophobicContact CD1-CD2 4.39Å; L354-I447 HydrophobicContact CD2-CD1 3.84Å; L354-I447 HydrophobicContact CG-CD1 3.84Å
355A79.8Confident67.7Low86 Ų8681.7 Ų81.771%0.71149%0.489SS*.Hα-helixtrans-74.6-22.6177.300000113.4L351 L352L351-A355 WeakPolarHBondContact O-CB 3.46Å; L351-A355 PolarHBondContact O-N 3.24Å; L352-A355 PolarHBondContact O-N 2.87Å
356G65Low64.9Low61 Ų6184.6 Ų84.663%0.62951%0.512SS*.THydrogen-bonded Turntrans-89.3-1.5-177.400000115.9L352 Q353 L354L352-G356 PolarHBondContact O-N 3.4Å; Q353-G356 PolarHBondContact O-N 3.05Å; L354-G356 VanDerWaalsContact C-N 3.33Å
357V55.8Low62.5Low101 Ų10188.3 Ų88.361%0.61253%0.531SS*.  trans-96116.8-1781780000109.9Q353Q353-V357 WeakPolarHBondContact O-CG2 3.31Å
358P42.4Very low59.8Low105 Ų10596 Ų9668%0.68256%0.56SS**  trans-62.9140.1165.6-719.4000109.8D360P358-D360 VanDerWaalsContact C-N 3.28Å; P358-D360 PolarHBondContact O-N 3.36Å
359E38.9Very low57.2Low193 Ų19398.8 Ų98.890%0.90257%0.573SS**  trans-64.172.4-178.2-64.8-173.6151.100113.7
360D35.3Very low54.6Low157 Ų157102.1 Ų102.184%0.8459%0.591SS**  trans-104.364.6167-86.3-25.7000110.5P358P358-D360 VanDerWaalsContact C-N 3.28Å; P358-D360 PolarHBondContact O-N 3.36Å
361C36.7Very low51.5Low120 Ų120111.2 Ų111.281%0.81163%0.631SS**  trans-99.551.7173.1-77.20000111.9
362N34.7Very low48.9Very low177 Ų177113.3 Ų113.395%0.94764%0.644SS**  trans-133.283.5171.1-98.2-12.7000111
363G37.2Very low46Very low56 Ų56113 Ų11358%0.57765%0.652SS**  trans16053.7173.900000113.9
364Q47.6Very low43.1Very low110 Ų110116.2 Ų116.251%0.51468%0.679SS.*  trans-112.4127.8170.4-75.4-174.8-9.300110.4
365P36.8Very low40.3Very low96 Ų96120.5 Ų120.562%0.62371%0.707SS**PPolyproline II helixtrans-72.2149.4172.828.3-31.2000111L367P365-L367 PolarHBondContact O-N 3.02Å
366P33.9Very low37.9Very low132 Ų132122.4 Ų122.486%0.85772%0.716SS**PPolyproline II helixtrans-67.5119.8178.125.5-31.3000110.8
367L43.2Very low36.5Very low78 Ų78123.9 Ų123.941%0.40872%0.716SS.*PPolyproline II helixtrans-91.9129.8179.5-69.2166.6000110.9D86 P365D86-L367 HydrophobicContact CB-CD2 4.07Å; P365-L367 PolarHBondContact O-N 3.02Å
368K35.8Very low35.5Very low186 Ų186127.6 Ų127.681%0.80973%0.727SS**PPolyproline II helixtrans-74.5134.7174.9-72.7-179.9178.6177.50110.9
369I37.2Very low35Very low147 Ų147132.9 Ų132.975%0.75474%0.739SS**PPolyproline II helixtrans-71.9125.4175.6-60.8168.6000109.1
370I38Very low35.1Very low108 Ų108130.4 Ų130.455%0.55473%0.732SS**  trans-106.5120.8170.8-59.3175000107.5V372I370-V372 PolarHBondContact O-N 3.27Å
371K28.9Very low36.6Very low192 Ų192131.9 Ų131.984%0.83573%0.734SS**  trans-76.2113.9168.8-82-178.1175.4179.70108.4
372V35.5Very low38.8Very low74 Ų74126.8 Ų126.845%0.44870%0.7SS.*PPolyproline II helixtrans-81126.1174.6-170.40000108.7I370 M429 I433I370-V372 PolarHBondContact O-N 3.27Å; V372-M429 HydrophobicContact CB-CE 4.14Å; V372-M429 HydrophobicContact CG1-CE 3.88Å; V372-I433 HydrophobicContact CG2-CG2 3.56Å
373S27.4Very low41.3Very low104 Ų104120.8 Ų120.873%0.72767%0.665SS**PPolyproline II helixtrans-95.9132171.6-45.10000107.6T375S373-T375 PolarHBondContact O-N 3.34Å
374S28.8Very low43.7Very low115 Ų115118.1 Ų118.180%0.80464%0.638SS**PPolyproline II helixtrans-70.7122.5177.142.30000110.8
375T26.7Very low45.6Very low132 Ų132115.3 Ų115.381%0.8163%0.626SS**PPolyproline II helixtrans-89.4121.3163.541.80000108.9S373 S377S373-T375 PolarHBondContact O-N 3.34Å; T375-S377 PolarHBondContact O-N 2.99Å
376S30.7Very low48Very low127 Ų127114.4 Ų114.489%0.88862%0.622SS**PPolyproline II helixtrans-66.9117.1173.542.30000110.7
377S35.2Very low50.6Low92 Ų92109.6 Ų109.664%0.64359%0.589SS**PPolyproline II helixtrans-99.2141.4170.949.20000111.6T375T375-S377 PolarHBondContact O-N 2.99Å
378Q33.5Very low52.6Low178 Ų178105.9 Ų105.983%0.83257%0.57SS**PPolyproline II helixtrans-55145.5-177.8-68.4167.2-37.400112.6N380Q378-N380 PolarHBondContact O-N 3.44Å
379K33.7Very low55Low217 Ų217101 Ų10194%0.94355%0.552SS**  trans-60.7103.2171.1-78-177.3175.1-177.10109.6
380N40.3Very low57.4Low140 Ų14097.2 Ų97.275%0.74954%0.539SS*.  trans-89.3137.7158.5-83.7-19.9000108.5Q378 S382Q378-N380 PolarHBondContact O-N 3.44Å; N380-S382 PolarHBondContact O-N 3.29Å
381E66.1Low59.6Low188 Ų18893.4 Ų93.488%0.87952%0.52SS*.  trans-73.655.3174.1-64.5-177.9156.900111.6
382S84.2Confident62.2Low13 Ų1385.2 Ų85.29%0.09149%0.485CS..  trans-76.9126.8174.41670000110.8E260 N380 I384 D385 S386E260-S382 PolarHBondContact OE2-OG 3.11Å; N380-S382 PolarHBondContact O-N 3.29Å; S382-I384 PolarHBondContact OG-N 2.96Å; S382-D385 WeakPolarHBondContact CB-OD2 3.4Å; S382-D385 WeakPolarHBondContact OG-CB 3.35Å; S382-D385 VanDerWaalsContact OG-CG 3.28Å; S382-D385 PolarHBondContact OG-N 3.49Å; S382-D385 PolarHBondContact OG-OD2 3.2Å; S382-S386 PolarHBondContact O-N 3.19Å; S382-S386 PolarHBondContact O-OG 2.83Å
383K86.7Confident64.2Low52 Ų5286.4 Ų86.423%0.22649%0.492CS..Hα-helixtrans-69.9-43176.1-168.8-178.7-174-175.70110.6K253 P257 E260 S285 D289 S386 I387K253-K383 PolarHBondContact O-NZ 2.97Å; P257-K383 HydrophobicContact CB-CD 4.4Å; P257-K383 HydrophobicContact CG-CD 4.2Å; E260-K383 PolarHBondContact OE2-N 3.15Å; S285-K383 WeakPolarHBondContact OG-CE 3.46Å; S285-K383 PolarHBondContact OG-NZ 3.21Å; D289-K383 IonicContact OD1-NZ 2.69Å; D289-K383 PolarHBondContact OD1-NZ 2.71Å; D289-K383 IonicContact OD2-NZ 2.99Å; D289-K383 PolarHBondContact OD2-NZ 3.1Å; K383-S386 PolarHBondContact O-N 3.41Å; K383-I387 HydrophobicContact CG-CD1 4.19Å; K383-I387 WeakPolarHBondContact O-CG1 3.38Å; K383-I387 PolarHBondContact O-N 3.35Å; K383-I387 VanDerWaalsContact O-N 3.14Å
384I87.9Confident66Low0 Ų086.5 Ų86.50%049%0.489CS..Hα-helixtrans-63.8-43.3178.1-73.7-66.1000111.3P257 E260 I264 L278 A281 L282 S382 S386 I387 L388P257-I384 HydrophobicContact CB-CD1 3.61Å; P257-I384 HydrophobicContact CB-CG1 3.71Å; P257-I384 WeakPolarHBondContact O-CG1 3.31Å; E260-I384 HydrophobicContact CB-CG1 4.15Å; E260-I384 PolarHBondContact OE2-N 3.39Å; E260-I384 VanDerWaalsContact OE2-N 3.11Å; I264-I384 HydrophobicContact CD1-CG2 4.36Å; L278-I384 HydrophobicContact CD2-CG2 3.4Å; L278-I384 VanDerWaalsContact CD2-CG2 3.4Å; A281-I384 HydrophobicContact CB-CD1 4.17Å; L282-I384 HydrophobicContact CD2-CD1 3.94Å; L282-I384 HydrophobicContact CG-CD1 4.06Å; S382-I384 PolarHBondContact OG-N 2.96Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.02Å; I384-I387 PolarHBondContact O-N 2.87Å; I384-L388 HydrophobicContact CG2-CD1 3.89Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 PolarHBondContact O-N 2.98Å
385D86.6Confident67Low51 Ų5183 Ų8327%0.27347%0.47SS..Hα-helixtrans-62.7-44.3-179.1-68.2-18.9000111.1S382 I387 L388 D389 R427S382-D385 WeakPolarHBondContact CB-OD2 3.4Å; S382-D385 WeakPolarHBondContact OG-CB 3.35Å; S382-D385 VanDerWaalsContact OG-CG 3.28Å; S382-D385 PolarHBondContact OG-N 3.49Å; S382-D385 PolarHBondContact OG-OD2 3.2Å; D385-I387 VanDerWaalsContact C-N 3.35Å; D385-I387 PolarHBondContact O-N 3.42Å; D385-L388 PolarHBondContact O-N 2.94Å; D385-D389 PolarHBondContact O-N 3Å; D385-R427 PolarHBondContact O-NH1 3.22Å; D385-R427 IonicContact OD1-CZ 3.85Å; D385-R427 IonicContact OD1-NH1 3.42Å; D385-R427 IonicContact OD1-NH2 3.89Å; D385-R427 PolarHBondContact OD1-NH2 3.26Å
386S87.6Confident67.7Low77 Ų7781.2 Ų81.254%0.53846%0.459SS..Hα-helixtrans-60-41.5177.8-58.10000112.8S382 K383 I384 S390S382-S386 PolarHBondContact O-N 3.19Å; S382-S386 PolarHBondContact O-OG 2.83Å; K383-S386 PolarHBondContact O-N 3.41Å; I384-S386 VanDerWaalsContact C-N 3.32Å; I384-S386 PolarHBondContact O-N 3.02Å; S386-S390 PolarHBondContact O-N 2.9Å
387I87.6Confident68.1Low31 Ų3180.9 Ų80.916%0.15945%0.452CS..Hα-helixtrans-69.1-45.4178.7-67168.1000110.7A281 D284 K383 I384 D385 D389 S390 I391A281-I387 HydrophobicContact CB-CB 4.29Å; A281-I387 HydrophobicContact CB-CG2 3.8Å; D284-I387 HydrophobicContact CB-CG2 4.12Å; K383-I387 HydrophobicContact CG-CD1 4.19Å; K383-I387 WeakPolarHBondContact O-CG1 3.38Å; K383-I387 PolarHBondContact O-N 3.35Å; K383-I387 VanDerWaalsContact O-N 3.14Å; I384-I387 PolarHBondContact O-N 2.87Å; D385-I387 VanDerWaalsContact C-N 3.35Å; D385-I387 PolarHBondContact O-N 3.42Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.94Å; I387-S390 WeakPolarHBondContact O-CB 3.39Å; I387-S390 PolarHBondContact O-N 2.88Å; I387-I391 HydrophobicContact CG2-CD1 3.88Å; I387-I391 HydrophobicContact CG2-CG1 4.45Å; I387-I391 WeakPolarHBondContact O-CG1 3.22Å; I387-I391 PolarHBondContact O-N 3.02Å
388L86.7Confident68.2Low0 Ų083.7 Ų83.70%046%0.46CS..Hα-helixtrans-60.4-41.4178-81.9176.1000112P277 L278 A281 F337 I384 D385 S390 I391 L392 R427P277-L388 HydrophobicContact CB-CD2 3.79Å; P277-L388 WeakPolarHBondContact O-CD2 3.43Å; L278-L388 HydrophobicContact CD2-CD1 3.75Å; A281-L388 HydrophobicContact CB-CD2 3.82Å; A281-L388 HydrophobicContact CB-CG 3.75Å; F337-L388 HydrophobicContact CE1-CD2 4.3Å; F337-L388 HydrophobicContact CZ-CD2 3.92Å; I384-L388 HydrophobicContact CG2-CD1 3.89Å; I384-L388 HydrophobicContact CG2-CG 4.42Å; I384-L388 WeakPolarHBondContact O-CB 3.47Å; I384-L388 PolarHBondContact O-N 2.98Å; D385-L388 PolarHBondContact O-N 2.94Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.48Å; L388-I391 PolarHBondContact O-N 2.72Å; L388-L392 WeakPolarHBondContact O-CB 3.49Å; L388-L392 VanDerWaalsContact O-CG 3.25Å; L388-L392 WeakPolarHBondContact O-CG 3.3Å; L388-L392 PolarHBondContact O-N 2.99Å; L388-R427 VanDerWaalsContact CD1-CZ 3.43Å; L388-R427 VanDerWaalsContact CD1-NH2 3.26Å
389D86.6Confident68.2Low82 Ų8281.8 Ų81.844%0.43946%0.461SS..Hα-helixtrans-65.2-35.8177.7-66.3-9.3000111.5D385 I387 L392 T393 R427D385-D389 PolarHBondContact O-N 3Å; I387-D389 VanDerWaalsContact C-N 3.32Å; I387-D389 PolarHBondContact O-N 2.94Å; D389-L392 PolarHBondContact O-N 2.94Å; D389-T393 WeakPolarHBondContact O-CB 3.5Å; D389-T393 VanDerWaalsContact O-CG2 3.27Å; D389-T393 WeakPolarHBondContact O-CG2 3.48Å; D389-T393 PolarHBondContact O-N 3.22Å; D389-T393 PolarHBondContact O-OG1 3.5Å; D389-R427 WeakPolarHBondContact OD1-CD 3.3Å; D389-R427 IonicContact OD1-CZ 2.7Å; D389-R427 IonicContact OD1-NH1 3.24Å; D389-R427 PolarHBondContact OD1-NH1 3.01Å
390S86.1Confident68.6Low69 Ų6977.6 Ų77.648%0.48344%0.444SS..Hα-helixtrans-63.9-43.5172.5-174.70000112.6S386 I387 L388 T393 T394S386-S390 PolarHBondContact O-N 2.9Å; I387-S390 WeakPolarHBondContact O-CB 3.39Å; I387-S390 PolarHBondContact O-N 2.88Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.48Å; S390-T393 PolarHBondContact O-N 3.34Å; S390-T393 PolarHBondContact O-OG1 2.9Å; S390-T394 WeakPolarHBondContact O-CG2 3.41Å; S390-T394 PolarHBondContact O-N 3.4Å; S390-T394 PolarHBondContact O-OG1 3.39Å
391I84.7Confident68.3Low28 Ų2879.7 Ų79.714%0.14445%0.45CS..Hα-helixtrans-66-42.3177.3-62.8165.3000110.6A281 F337 I387 L388 T393 T394 G395A281-I391 HydrophobicContact CB-CD1 4.47Å; F337-I391 HydrophobicContact CD1-CG2 4.14Å; F337-I391 HydrophobicContact CE1-CB 4.3Å; F337-I391 HydrophobicContact CE1-CD1 4.32Å; F337-I391 HydrophobicContact CE1-CG2 3.5Å; F337-I391 VanDerWaalsContact CE1-CG2 3.5Å; F337-I391 HydrophobicContact CZ-CG2 3.97Å; I387-I391 HydrophobicContact CG2-CD1 3.88Å; I387-I391 HydrophobicContact CG2-CG1 4.45Å; I387-I391 WeakPolarHBondContact O-CG1 3.22Å; I387-I391 PolarHBondContact O-N 3.02Å; L388-I391 PolarHBondContact O-N 2.72Å; I391-T393 VanDerWaalsContact C-N 3.31Å; I391-T393 PolarHBondContact O-N 3.39Å; I391-T394 PolarHBondContact O-N 3.04Å; I391-T394 PolarHBondContact O-OG1 2.78Å; I391-T394 VanDerWaalsContact O-OG1 3.04Å; I391-G395 PolarHBondContact O-N 3.35Å
392L83.4Confident67Low19 Ų1976.1 Ų76.110%0.09944%0.443CS..Hα-helixtrans-71.8-22.3-177.8-70.7174.9000113.8A336 F337 L388 D389 R424 R427A336-L392 HydrophobicContact CB-CD2 3.6Å; F337-L392 HydrophobicContact CE2-CD2 3.68Å; F337-L392 HydrophobicContact CZ-CD2 3.99Å; F337-L392 HydrophobicContact CZ-CG 4.38Å; L388-L392 WeakPolarHBondContact O-CB 3.49Å; L388-L392 VanDerWaalsContact O-CG 3.25Å; L388-L392 WeakPolarHBondContact O-CG 3.3Å; L388-L392 PolarHBondContact O-N 2.99Å; D389-L392 PolarHBondContact O-N 2.94Å; L392-R424 PolarHBondContact O-NH2 3.23Å; L392-R427 HydrophobicContact CD1-CG 4.13Å
393T78.9Confident64.7Low100 Ų10083.4 Ų83.461%0.61348%0.481SS*.Hα-helixtrans-87.4-24.9175.948.30000113D389 S390 I391 T396D389-T393 WeakPolarHBondContact O-CB 3.5Å; D389-T393 VanDerWaalsContact O-CG2 3.27Å; D389-T393 WeakPolarHBondContact O-CG2 3.48Å; D389-T393 PolarHBondContact O-N 3.22Å; D389-T393 PolarHBondContact O-OG1 3.5Å; S390-T393 PolarHBondContact O-N 3.34Å; S390-T393 PolarHBondContact O-OG1 2.9Å; I391-T393 VanDerWaalsContact C-N 3.31Å; I391-T393 PolarHBondContact O-N 3.39Å; T393-T396 PolarHBondContact O-OG1 3.49Å
394T63.6Low62.3Low106 Ų10687.7 Ų87.765%0.6551%0.512SS*.Hα-helixtrans-84.3-28.2178.2450000113.1S390 I391 T396S390-T394 WeakPolarHBondContact O-CG2 3.41Å; S390-T394 PolarHBondContact O-N 3.4Å; S390-T394 PolarHBondContact O-OG1 3.39Å; I391-T394 PolarHBondContact O-N 3.04Å; I391-T394 PolarHBondContact O-OG1 2.78Å; I391-T394 VanDerWaalsContact O-OG1 3.04Å; T394-T396 PolarHBondContact O-N 3.05Å
395G51.5Low59.8Low40 Ų4091.7 Ų91.741%0.41254%0.54SS..  trans-75.826-178.800000117.5I391I391-G395 PolarHBondContact O-N 3.35Å
396T40.9Very low57.5Low95 Ų9598.7 Ų98.758%0.58357%0.573SS**  trans-105.865.7-178.217.30000113T393 T394T393-T396 PolarHBondContact O-OG1 3.49Å; T394-T396 PolarHBondContact O-N 3.05Å
397T39.3Very low55.8Low121 Ų12196.9 Ų96.974%0.74257%0.566SS**  trans-165.3108.8154.645.20000109.3
398N36.2Very low54.2Low151 Ų15199.6 Ų99.681%0.80759%0.588SS**  trans-16776.3150.4-91.7-19.3000109.2Q400N398-Q400 PolarHBondContact O-N 2.83Å
399T34.5Very low53Low138 Ų138103.7 Ų103.785%0.84761%0.607SS**  trans-81.210716428.20000109
400Q41.1Very low52.1Low128 Ų128102.3 Ų102.360%0.59860%0.604SS**  trans-106.6143.7163.4-69.6-16915.800111N398N398-Q400 PolarHBondContact O-N 2.83Å
401Q34.6Very low51.6Low185 Ų185105.8 Ų105.886%0.86461%0.613SS**PPolyproline II helixtrans-82.7148177.3-71.4-177.3-11.200111.5
402P39.7Very low51.2Low112 Ų112105.9 Ų105.973%0.72761%0.613SS**PPolyproline II helixtrans-81.8132-17930.8-30.9000112.5
403N35.4Very low51Low167 Ų167110.9 Ų110.989%0.89363%0.634SS**PPolyproline II helixtrans-83.5118.2159-81.8-20.8000109.4
404T35.8Very low51.4Low142 Ų142110.3 Ų110.387%0.87163%0.627SS**PPolyproline II helixtrans-69.9127.8-178.817.70000113.1
405S34.8Very low52.6Low84 Ų84106.5 Ų106.559%0.58760%0.603SS**  trans-137.1142.6153.860.90000110.5
406M39.6Very low54.4Low198 Ų198105 Ų10598%0.97559%0.585SS**  trans-70.9141.9-168.4-98.4-86.7-73.800113.9
407G51.2Low56.8Low38 Ų38106.3 Ų106.339%0.39258%0.58SS.*SBendtrans124.3168.8175.300000114Q409 S410G407-Q409 PolarHBondContact O-N 3.04Å; G407-S410 WeakPolarHBondContact O-CB 3.47Å; G407-S410 PolarHBondContact O-N 3.36Å; G407-S410 PolarHBondContact O-OG 3.38Å
408S54.7Low59.3Low88 Ų88104.3 Ų104.362%0.61557%0.565SS**Hα-helixtrans-48.7-22.8178.528.90000114.8S410 Q411 I412S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 3.16Å; S408-Q411 PolarHBondContact O-N 3.45Å; S408-I412 PolarHBondContact O-N 2.9Å
409Q61.2Low62Low86 Ų8697.1 Ų97.140%0.40253%0.526SS..Hα-helixtrans-55.2-38.3167.6-70.7-93.5-7.900114.1L351 G407 K413L351-Q409 HydrophobicContact CD1-CG 4.32Å; G407-Q409 PolarHBondContact O-N 3.04Å; Q409-K413 WeakPolarHBondContact O-CG 3.33Å; Q409-K413 PolarHBondContact O-N 3.49Å; Q409-K413 VanDerWaalsContact O-N 3.14Å
410S67.9Low64.8Low53 Ų5392 Ų9237%0.37149%0.494SS..Hα-helixtrans-70.6-32.9-178.562.90000112.4G407 S408 N414G407-S410 WeakPolarHBondContact O-CB 3.47Å; G407-S410 PolarHBondContact O-N 3.36Å; G407-S410 PolarHBondContact O-OG 3.38Å; S408-S410 VanDerWaalsContact C-N 3.31Å; S408-S410 PolarHBondContact O-N 3.16Å; S410-N414 WeakPolarHBondContact O-CB 3.41Å; S410-N414 PolarHBondContact O-N 2.78Å
411Q75.3Confident67.1Low143 Ų14389.4 Ų89.467%0.66849%0.489SS*.Hα-helixtrans-69.9-41.1177.5-67176-19.100111.7S408 N414 L415S408-Q411 PolarHBondContact O-N 3.45Å; Q411-N414 PolarHBondContact O-N 2.74Å; Q411-L415 PolarHBondContact O-N 3.37Å
412I75.8Confident69.9Low29 Ų2983.4 Ų83.415%0.14946%0.461CS..Hα-helixtrans-68.2-42.7177.7-64.1166.5000110.8V350 L351 L354 S408 N414 L415 L416V350-I412 HydrophobicContact CG1-CG2 4.07Å; L351-I412 HydrophobicContact CD1-CD1 3.53Å; L354-I412 HydrophobicContact CB-CD1 4.27Å; L354-I412 HydrophobicContact CD1-CD1 3.77Å; L354-I412 HydrophobicContact CD1-CG1 3.77Å; L354-I412 HydrophobicContact CD1-CG2 4.04Å; S408-I412 PolarHBondContact O-N 2.9Å; I412-N414 VanDerWaalsContact C-N 3.3Å; I412-N414 PolarHBondContact O-N 3.25Å; I412-L415 WeakPolarHBondContact O-CB 3.3Å; I412-L415 PolarHBondContact O-N 3.45Å; I412-L415 VanDerWaalsContact O-N 3.15Å; I412-L416 PolarHBondContact O-N 2.94Å
413K80.3Confident72.4Confident124 Ų12482.7 Ų82.754%0.53946%0.457SS..Hα-helixtrans-60.2-40.7174.2-74.2-179.4179.5-175.40111.9Q409 Y417Q409-K413 WeakPolarHBondContact O-CG 3.33Å; Q409-K413 PolarHBondContact O-N 3.49Å; Q409-K413 VanDerWaalsContact O-N 3.14Å; K413-Y417 WeakPolarHBondContact O-CB 3.35Å; K413-Y417 PolarHBondContact O-N 3.49Å
414N85.6Confident75.2Confident89 Ų8978.5 Ų78.548%0.47643%0.428SS..Hα-helixtrans-65-40.3174.2-167.22.7000111.8S410 Q411 I412 L416 Y417 L418S410-N414 WeakPolarHBondContact O-CB 3.41Å; S410-N414 PolarHBondContact O-N 2.78Å; Q411-N414 PolarHBondContact O-N 2.74Å; I412-N414 VanDerWaalsContact C-N 3.3Å; I412-N414 PolarHBondContact O-N 3.25Å; N414-L416 PolarHBondContact O-N 3.11Å; N414-Y417 WeakPolarHBondContact O-CB 3.49Å; N414-Y417 PolarHBondContact O-N 3.32Å; N414-L418 WeakPolarHBondContact O-CG 3.44Å; N414-L418 PolarHBondContact O-N 2.94Å
415L89.1Confident78Confident26 Ų2673 Ų7314%0.13639%0.394CS..Hα-helixtrans-60.2-46.4176.7-17270.1000112.5Q411 I412 L418 Y419 Y441 S443 L444Q411-L415 PolarHBondContact O-N 3.37Å; I412-L415 WeakPolarHBondContact O-CB 3.3Å; I412-L415 PolarHBondContact O-N 3.45Å; I412-L415 VanDerWaalsContact O-N 3.15Å; L415-L418 PolarHBondContact O-N 3.48Å; L415-Y419 PolarHBondContact O-N 3.42Å; L415-Y441 HydrophobicContact CD1-CD1 3.63Å; L415-Y441 HydrophobicContact CD1-CE1 4.2Å; L415-Y441 HydrophobicContact CG-CD1 4.15Å; L415-S443 WeakPolarHBondContact CD2-OG 3.42Å; L415-L444 HydrophobicContact CD2-CD1 4.07Å; L415-L444 HydrophobicContact CD2-CD2 4.03Å; L415-L444 HydrophobicContact CD2-CG 3.78Å; L415-L444 HydrophobicContact CG-CD1 4.39Å
416L89.8Confident80.7Confident7 Ų773.5 Ų73.54%0.03739%0.389CS..Hα-helixtrans-65.7-40.9175.9-67.4179.7000111.4Y328 A347 V350 I412 N414 L418 Y419 N420 L444Y328-L416 HydrophobicContact CE1-CD2 4.28Å; A347-L416 HydrophobicContact CB-CD1 3.88Å; V350-L416 HydrophobicContact CB-CD1 4.33Å; V350-L416 HydrophobicContact CG1-CD1 4.34Å; V350-L416 HydrophobicContact CG1-CD2 4.3Å; V350-L416 HydrophobicContact CG2-CD1 4.43Å; V350-L416 HydrophobicContact CG2-CD2 4.32Å; I412-L416 PolarHBondContact O-N 2.94Å; N414-L416 PolarHBondContact O-N 3.11Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 2.93Å; L416-Y419 WeakPolarHBondContact O-CB 3.34Å; L416-Y419 PolarHBondContact O-N 3.42Å; L416-Y419 VanDerWaalsContact O-N 3.13Å; L416-N420 WeakPolarHBondContact O-CB 3.35Å; L416-N420 PolarHBondContact O-N 2.89Å; L416-N420 PolarHBondContact O-ND2 2.91Å; L416-L444 HydrophobicContact CD2-CD1 4.34Å
417Y90.3Very high83Confident123 Ų12365.8 Ų65.848%0.48235%0.349SS..Hα-helixtrans-56.4-46.2173.4176.1-95.8000112K413 N414 Y419 N420 S421K413-Y417 WeakPolarHBondContact O-CB 3.35Å; K413-Y417 PolarHBondContact O-N 3.49Å; N414-Y417 WeakPolarHBondContact O-CB 3.49Å; N414-Y417 PolarHBondContact O-N 3.32Å; Y417-Y419 VanDerWaalsContact C-N 3.34Å; Y417-Y419 PolarHBondContact O-N 3.48Å; Y417-N420 PolarHBondContact O-N 3.5Å; Y417-S421 PolarHBondContact O-N 2.69Å; Y417-S421 PolarHBondContact O-OG 2.75Å
418L91.6Very high84.8Confident80 Ų8069.7 Ų69.742%0.41936%0.361SS..Hα-helixtrans-64.3-36.2175.5-71172.5000112.5N414 L415 L416 S421 E422 Y441N414-L418 WeakPolarHBondContact O-CG 3.44Å; N414-L418 PolarHBondContact O-N 2.94Å; L415-L418 PolarHBondContact O-N 3.48Å; L416-L418 VanDerWaalsContact C-N 3.33Å; L416-L418 PolarHBondContact O-N 2.93Å; L418-S421 PolarHBondContact O-OG 3.12Å; L418-E422 WeakPolarHBondContact O-CG 3.27Å; L418-Y441 HydrophobicContact CB-CE1 4.25Å; L418-Y441 PolarHBondContact O-OH 2.96Å
419Y93.9Very high86.5Confident0 Ų069 Ų690%035%0.349CS..Hα-helixtrans-65.9-40.6175.1167.7-106.1000112Y328 L329 D330 K334 L415 L416 Y417 E422 W434 W435 Y441Y328-Y419 HydrophobicContact CD1-CE1 4.05Å; Y328-Y419 HydrophobicContact CE1-CD1 4.01Å; Y328-Y419 AromaticContact CE1-CE1 3.92Å; Y328-Y419 HydrophobicContact CE1-CE1 3.92Å; Y328-Y419 WeakPolarHBondContact O-CE1 3.41Å; Y328-Y419 PolarHBondContact O-OH 2.94Å; L329-Y419 VanDerWaalsContact C-OH 3.25Å; L329-Y419 PolarHBondContact O-OH 2.95Å; D330-Y419 PolarHBondContact O-OH 3.43Å; K334-Y419 HydrophobicContact CD-CE1 4.39Å; K334-Y419 HydrophobicContact CG-CE1 4.14Å; K334-Y419 PolarHBondContact NZ-O 3.43Å; L415-Y419 PolarHBondContact O-N 3.42Å; L416-Y419 WeakPolarHBondContact O-CB 3.34Å; L416-Y419 PolarHBondContact O-N 3.42Å; L416-Y419 VanDerWaalsContact O-N 3.13Å; Y417-Y419 VanDerWaalsContact C-N 3.34Å; Y417-Y419 PolarHBondContact O-N 3.48Å; Y419-E422 PolarHBondContact O-N 3.14Å; Y419-W434 AromaticContact CD2-CH2 3.77Å; Y419-W434 HydrophobicContact CD2-CH2 3.77Å; Y419-W434 HydrophobicContact CD2-CZ3 4.06Å; Y419-W434 AromaticContact CE2-CH2 3.83Å; Y419-W434 HydrophobicContact CE2-CH2 3.83Å; Y419-W434 AromaticContact CE2-CZ3 3.8Å; Y419-W434 HydrophobicContact CE2-CZ3 3.8Å; Y419-W435 AromaticContact CD2-CH2 3.96Å; Y419-W435 HydrophobicContact CD2-CH2 3.96Å; Y419-W435 HydrophobicContact CD2-CZ2 4.21Å; Y419-W435 AromaticContact CE2-CH2 3.84Å; Y419-W435 HydrophobicContact CE2-CH2 3.84Å; Y419-W435 AromaticContact CE2-CZ2 3.6Å; Y419-W435 HydrophobicContact CE2-CZ2 3.6Å; Y419-Y441 WeakPolarHBondContact CA-OH 3.41Å
420N92.6Very high87.9Confident31 Ų3168.5 Ų68.517%0.16635%0.349CS..Hα-helixtrans-72.2-29.8-179.9-66.1-30.6000113.2Y328 Q335 L416 Y417 E422Y328-N420 PolarHBondContact OH-ND2 3.27Å; Y328-N420 PolarHBondContact OH-OD1 2.95Å; Q335-N420 PolarHBondContact NE2-ND2 2.92Å; L416-N420 WeakPolarHBondContact O-CB 3.35Å; L416-N420 PolarHBondContact O-N 2.89Å; L416-N420 PolarHBondContact O-ND2 2.91Å; Y417-N420 PolarHBondContact O-N 3.5Å; N420-E422 VanDerWaalsContact C-N 3.31Å
421S91Very high89.1Confident72 Ų7266.6 Ų66.650%0.50334%0.335SS..Hα-helixtrans-74.9-20.1177.667.60000113.6Y417 L418Y417-S421 PolarHBondContact O-N 2.69Å; Y417-S421 PolarHBondContact O-OG 2.75Å; L418-S421 PolarHBondContact O-OG 3.12Å
422E92.6Very high90Very high60 Ų6060.1 Ų60.128%0.2831%0.306SS..SBendtrans-64.4147172.6-67.2-69152.700110.8K334 L418 Y419 N420 W434 K440 Y441K334-E422 VanDerWaalsContact NZ-C 3.29Å; K334-E422 VanDerWaalsContact NZ-CB 3.28Å; K334-E422 PolarHBondContact NZ-O 2.94Å; L418-E422 WeakPolarHBondContact O-CG 3.27Å; Y419-E422 PolarHBondContact O-N 3.14Å; N420-E422 VanDerWaalsContact C-N 3.31Å; E422-W434 HydrophobicContact CB-CZ2 4.4Å; E422-W434 HydrophobicContact CG-CZ2 4.42Å; E422-K440 IonicContact OE1-NZ 2.7Å; E422-K440 PolarHBondContact OE1-NZ 3.32Å; E422-K440 IonicContact OE2-NZ 3.29Å; E422-Y441 VanDerWaalsContact CG-OH 3.24Å; E422-Y441 WeakPolarHBondContact CG-OH 3.42Å
423P92.2Very high90.9Very high97 Ų9761.9 Ų61.963%0.6332%0.315SS*.PPolyproline II helixtrans-61.8150.8173.427-33.9000111.2K334K334-P423 PolarHBondContact NZ-O 2.9Å
424R93.7Very high91.6Very high79 Ų7957.7 Ų57.730%0.29830%0.295SS..PPolyproline II helixtrans-66.7143.1167.3-72.9-177.9-80-98.86.7109.2P331 R332 K334 L392P331-R424 VanDerWaalsContact O-CA 3.29Å; P331-R424 WeakPolarHBondContact O-CA 3.21Å; R332-R424 VanDerWaalsContact O-CD 3.3Å; R332-R424 WeakPolarHBondContact O-CD 3.38Å; K334-R424 HydrophobicContact CD-CG 4.2Å; K334-R424 HydrophobicContact CG-CG 4.28Å; L392-R424 PolarHBondContact O-NH2 3.23Å
425I94.1Very high92.1Very high27 Ų2753.4 Ų53.414%0.13827%0.273CS..PPolyproline II helixtrans-83161.917267.1175000110.8P331 R332 M429 W434P331-I425 HydrophobicContact CB-CD1 4.22Å; P331-I425 HydrophobicContact CB-CG1 4.18Å; P331-I425 HydrophobicContact CG-CD1 3.67Å; P331-I425 HydrophobicContact CG-CG1 4.13Å; P331-I425 PolarHBondContact O-N 2.85Å; R332-I425 HydrophobicContact CG-CD1 4Å; R332-I425 HydrophobicContact CG-CG1 3.57Å; I425-M429 HydrophobicContact CD1-CB 4.09Å; I425-W434 HydrophobicContact CD1-CB 4.02Å; I425-W434 HydrophobicContact CD1-CG 4.41Å; I425-W434 HydrophobicContact CG2-CG 4Å
426D91.4Very high92.3Very high93 Ų9355.2 Ų55.250%0.49728%0.277SS..PPolyproline II helixtrans-59.5142.9174.8-173.8-80.9000111.1N428 M429D426-N428 PolarHBondContact O-N 3.49Å; D426-N428 VanDerWaalsContact OD1-CB 3.28Å; D426-N428 WeakPolarHBondContact OD1-CB 3.4Å; D426-N428 PolarHBondContact OD1-N 2.86Å; D426-N428 PolarHBondContact OD1-ND2 2.97Å; D426-M429 HydrophobicContact CB-CG 4.05Å; D426-M429 HydrophobicContact CB-SD 4.31Å; D426-M429 WeakPolarHBondContact O-CB 3.46Å; D426-M429 PolarHBondContact O-N 3.45Å
427R89.6Confident92.5Very high37 Ų3757.1 Ų57.114%0.1429%0.291CS..THydrogen-bonded Turntrans-64.2-25.9-174.6-74.6175.849.7-156.1-9.2114R332 D385 L388 D389 L392 M429R332-R427 WeakPolarHBondContact CD-O 3.49Å; R332-R427 PolarHBondContact NH1-O 2.81Å; D385-R427 PolarHBondContact O-NH1 3.22Å; D385-R427 IonicContact OD1-CZ 3.85Å; D385-R427 IonicContact OD1-NH1 3.42Å; D385-R427 IonicContact OD1-NH2 3.89Å; D385-R427 PolarHBondContact OD1-NH2 3.26Å; L388-R427 VanDerWaalsContact CD1-CZ 3.43Å; L388-R427 VanDerWaalsContact CD1-NH2 3.26Å; D389-R427 WeakPolarHBondContact OD1-CD 3.3Å; D389-R427 IonicContact OD1-CZ 2.7Å; D389-R427 IonicContact OD1-NH1 3.24Å; D389-R427 PolarHBondContact OD1-NH1 3.01Å; L392-R427 HydrophobicContact CD1-CG 4.13Å; R427-M429 VanDerWaalsContact C-N 3.31Å
428N87.4Confident92.6Very high119 Ų11952.6 Ų52.664%0.63628%0.276SS*.THydrogen-bonded Turntrans-83.9-7.9179.1-55.6-59.3000112.6D426D426-N428 PolarHBondContact O-N 3.49Å; D426-N428 VanDerWaalsContact OD1-CB 3.28Å; D426-N428 WeakPolarHBondContact OD1-CB 3.4Å; D426-N428 PolarHBondContact OD1-N 2.86Å; D426-N428 PolarHBondContact OD1-ND2 2.97Å
429M90.3Very high92.5Very high75 Ų7555 Ų5537%0.36929%0.288SS..SBendtrans-81.4150174.8-67.6-171.87600111.7V372 I425 D426 R427 P431V372-M429 HydrophobicContact CB-CE 4.14Å; V372-M429 HydrophobicContact CG1-CE 3.88Å; I425-M429 HydrophobicContact CD1-CB 4.09Å; D426-M429 HydrophobicContact CB-CG 4.05Å; D426-M429 HydrophobicContact CB-SD 4.31Å; D426-M429 WeakPolarHBondContact O-CB 3.46Å; D426-M429 PolarHBondContact O-N 3.45Å; R427-M429 VanDerWaalsContact C-N 3.31Å; M429-P431 WeakPolarHBondContact O-CD 3.35Å
430D90.8Very high92.3Very high75 Ų7559.8 Ų59.840%0.40131%0.308SS..  trans-76.2119.1175-176.8-13.2000110.8L432 I433D430-L432 VanDerWaalsContact C-N 3.25Å; D430-L432 PolarHBondContact O-N 3.07Å; D430-L432 WeakPolarHBondContact OD1-CB 3.32Å; D430-L432 PolarHBondContact OD1-N 3.02Å; D430-I433 HydrophobicContact CB-CB 4.39Å; D430-I433 HydrophobicContact CB-CD1 3.76Å; D430-I433 HydrophobicContact CB-CG1 3.85Å; D430-I433 PolarHBondContact O-N 3.21Å
431P94.6Very high92.3Very high12 Ų1258.4 Ų58.48%0.07830%0.301CS..Hα-helixtrans-62.2-29.2178.126.6-35.6000113.4P331 M429 W434 W435P331-P431 HydrophobicContact CG-CB 3.87Å; M429-P431 WeakPolarHBondContact O-CD 3.35Å; P431-W434 WeakPolarHBondContact O-CB 3.46Å; P431-W434 PolarHBondContact O-N 3.17Å; P431-W435 VanDerWaalsContact O-CD1 3.23Å; P431-W435 PolarHBondContact O-N 3.46Å; P431-W435 VanDerWaalsContact O-N 3.09Å
432L94.5Very high92.2Very high8 Ų859.1 Ų59.14%0.04230%0.298CS..Hα-helixtrans-70.3-34.7-178.9-58.6-173.4000111.8I83 F87 T89 D430 W434 W435 R436 L452I83-L432 HydrophobicContact CD1-CD1 3.98Å; I83-L432 HydrophobicContact CD1-CD2 3.67Å; I83-L432 HydrophobicContact CG1-CD1 4.17Å; I83-L432 HydrophobicContact CG2-CD1 4.35Å; F87-L432 HydrophobicContact CB-CB 4.34Å; F87-L432 HydrophobicContact CD1-CB 4.44Å; F87-L432 HydrophobicContact CD1-CD2 4.35Å; T89-L432 WeakPolarHBondContact OG1-CD1 3.3Å; D430-L432 VanDerWaalsContact C-N 3.25Å; D430-L432 PolarHBondContact O-N 3.07Å; D430-L432 WeakPolarHBondContact OD1-CB 3.32Å; D430-L432 PolarHBondContact OD1-N 3.02Å; L432-W434 VanDerWaalsContact C-N 3.29Å; L432-W434 PolarHBondContact O-N 3.19Å; L432-W435 PolarHBondContact O-N 3.46Å; L432-R436 WeakPolarHBondContact O-CB 3.43Å; L432-R436 PolarHBondContact O-N 3.22Å; L432-L452 HydrophobicContact CD2-CB 4.27Å; L432-L452 HydrophobicContact CD2-CD1 3.96Å
433I94.2Very high92.1Very high66 Ų6659.1 Ų59.134%0.33831%0.305SS..Hα-helixtrans-64.5-38.1174.4-59.9177.9000110.6V372 D430 S437V372-I433 HydrophobicContact CG2-CG2 3.56Å; D430-I433 HydrophobicContact CB-CB 4.39Å; D430-I433 HydrophobicContact CB-CD1 3.76Å; D430-I433 HydrophobicContact CB-CG1 3.85Å; D430-I433 PolarHBondContact O-N 3.21Å; I433-S437 WeakPolarHBondContact O-CB 3.3Å; I433-S437 PolarHBondContact O-N 2.75Å; I433-S437 VanDerWaalsContact O-N 3.12Å; I433-S437 PolarHBondContact O-OG 3.44Å
434W95.3Very high92.2Very high35 Ų3554.5 Ų54.513%0.13328%0.275CS..Hα-helixtrans-64-48.3175-173.990.7000111.3P331 Y419 E422 I425 P431 L432 R436 S437 N438 Y441P331-W434 HydrophobicContact CB-CD2 3.85Å; P331-W434 HydrophobicContact CB-CE3 3.86Å; P331-W434 HydrophobicContact CB-CG 4.27Å; P331-W434 HydrophobicContact CB-CZ3 4.28Å; P331-W434 HydrophobicContact CG-CB 4.11Å; P331-W434 HydrophobicContact CG-CD2 3.99Å; P331-W434 HydrophobicContact CG-CE3 3.89Å; P331-W434 HydrophobicContact CG-CG 4.12Å; Y419-W434 AromaticContact CD2-CH2 3.77Å; Y419-W434 HydrophobicContact CD2-CH2 3.77Å; Y419-W434 HydrophobicContact CD2-CZ3 4.06Å; Y419-W434 AromaticContact CE2-CH2 3.83Å; Y419-W434 HydrophobicContact CE2-CH2 3.83Å; Y419-W434 AromaticContact CE2-CZ3 3.8Å; Y419-W434 HydrophobicContact CE2-CZ3 3.8Å; E422-W434 HydrophobicContact CB-CZ2 4.4Å; E422-W434 HydrophobicContact CG-CZ2 4.42Å; I425-W434 HydrophobicContact CD1-CB 4.02Å; I425-W434 HydrophobicContact CD1-CG 4.41Å; I425-W434 HydrophobicContact CG2-CG 4Å; P431-W434 WeakPolarHBondContact O-CB 3.46Å; P431-W434 PolarHBondContact O-N 3.17Å; L432-W434 VanDerWaalsContact C-N 3.29Å; L432-W434 PolarHBondContact O-N 3.19Å; W434-R436 PolarHBondContact O-N 3.1Å; W434-S437 PolarHBondContact O-N 2.81Å; W434-S437 VanDerWaalsContact O-N 3.13Å; W434-N438 VanDerWaalsContact CD2-ND2 3.32Å; W434-N438 HydrophobicContact CE3-CB 4.5Å; W434-N438 HydrophobicContact CH2-CB 4.37Å; W434-N438 HydrophobicContact CZ3-CB 4.35Å; W434-N438 PolarHBondContact NE1-ND2 3.48Å; W434-N438 PolarHBondContact O-N 3.15Å; W434-N438 VanDerWaalsContact O-N 3.09Å; W434-N438 PolarHBondContact O-ND2 2.9Å; W434-Y441 AromaticContact CH2-CD2 3.96Å; W434-Y441 HydrophobicContact CH2-CD2 3.96Å; W434-Y441 AromaticContact CH2-CE2 3.53Å; W434-Y441 HydrophobicContact CH2-CE2 3.53Å; W434-Y441 HydrophobicContact CZ2-CE2 4.31Å; W434-Y441 HydrophobicContact CZ3-CD2 4.2Å; W434-Y441 HydrophobicContact CZ3-CE2 4.23Å
435W95.7Very high92.2Very high0 Ų051.3 Ų51.30%026%0.263CS..Hα-helixtrans-60-44.8177.9-81.8110.6000112.6F87 L329 Y419 P431 L432 S437 N438 Y441 L444 Y445 V448F87-W435 HydrophobicContact CD1-CB 3.93Å; F87-W435 HydrophobicContact CE1-CB 3.46Å; F87-W435 VanDerWaalsContact CE1-CB 3.46Å; F87-W435 HydrophobicContact CE1-CG 4.28Å; F87-W435 HydrophobicContact CZ-CB 3.96Å; L329-W435 HydrophobicContact CB-CZ2 4.38Å; L329-W435 HydrophobicContact CD2-CH2 4.39Å; L329-W435 HydrophobicContact CD2-CZ2 4.23Å; L329-W435 VanDerWaalsContact O-CZ2 3.31Å; L329-W435 WeakPolarHBondContact O-CZ2 3.38Å; L329-W435 PolarHBondContact O-NE1 3.18Å; Y419-W435 AromaticContact CD2-CH2 3.96Å; Y419-W435 HydrophobicContact CD2-CH2 3.96Å; Y419-W435 HydrophobicContact CD2-CZ2 4.21Å; Y419-W435 AromaticContact CE2-CH2 3.84Å; Y419-W435 HydrophobicContact CE2-CH2 3.84Å; Y419-W435 AromaticContact CE2-CZ2 3.6Å; Y419-W435 HydrophobicContact CE2-CZ2 3.6Å; P431-W435 VanDerWaalsContact O-CD1 3.23Å; P431-W435 PolarHBondContact O-N 3.46Å; P431-W435 VanDerWaalsContact O-N 3.09Å; L432-W435 PolarHBondContact O-N 3.46Å; W435-S437 PolarHBondContact O-N 3.18Å; W435-N438 PolarHBondContact O-N 2.89Å; W435-Y441 HydrophobicContact CZ3-CD2 4.18Å; W435-Y441 HydrophobicContact CZ3-CG 4.1Å; W435-L444 HydrophobicContact CH2-CB 4.31Å; W435-L444 HydrophobicContact CH2-CD1 3.95Å; W435-L444 HydrophobicContact CZ3-CB 4.07Å; W435-L444 HydrophobicContact CZ3-CD1 4.23Å; W435-Y445 HydrophobicContact CE3-CD1 4.33Å; W435-Y445 HydrophobicContact CE3-CE1 4.22Å; W435-Y445 WeakPolarHBondContact O-CE1 3.26Å; W435-Y445 PolarHBondContact O-OH 3.14Å; W435-V448 HydrophobicContact CB-CG1 4.33Å; W435-V448 HydrophobicContact CD2-CB 4.35Å; W435-V448 HydrophobicContact CD2-CG1 3.82Å; W435-V448 HydrophobicContact CD2-CG2 3.73Å; W435-V448 HydrophobicContact CE3-CG2 3.85Å; W435-V448 HydrophobicContact CG-CG1 3.66Å; W435-V448 HydrophobicContact CG-CG2 4.46Å; W435-V448 HydrophobicContact CH2-CG2 3.67Å; W435-V448 HydrophobicContact CZ2-CG2 3.53Å; W435-V448 HydrophobicContact CZ3-CG2 3.8Å
436R93.8Very high92.2Very high63 Ų6351.9 Ų51.924%0.23828%0.276CS..Hα-helixtrans-57.3-35.5175.6-174.8-179.7176169.54.6112.9F87 L432 W434F87-R436 HydrophobicContact CB-CB 3.97Å; F87-R436 HydrophobicContact CB-CG 4.43Å; F87-R436 HydrophobicContact CD2-CB 3.92Å; F87-R436 HydrophobicContact CD2-CG 4.28Å; F87-R436 HydrophobicContact CG-CB 4.02Å; L432-R436 WeakPolarHBondContact O-CB 3.43Å; L432-R436 PolarHBondContact O-N 3.22Å; W434-R436 PolarHBondContact O-N 3.1Å
437S93Very high92.4Very high47 Ų4747.9 Ų47.933%0.32925%0.254SS..Hα-helixtrans-82.8-23.7-177.2-56.50000113I433 W434 W435 I439I433-S437 WeakPolarHBondContact O-CB 3.3Å; I433-S437 PolarHBondContact O-N 2.75Å; I433-S437 VanDerWaalsContact O-N 3.12Å; I433-S437 PolarHBondContact O-OG 3.44Å; W434-S437 PolarHBondContact O-N 2.81Å; W434-S437 VanDerWaalsContact O-N 3.13Å; W435-S437 PolarHBondContact O-N 3.18Å; S437-I439 PolarHBondContact O-N 3.07Å
438N91.9Very high92.7Very high29 Ų2946.1 Ų46.116%0.15525%0.248CC..  trans-99.173.4-174.7-75.4-84.1000112.3W434 W435 K440 Y441 Y445W434-N438 VanDerWaalsContact CD2-ND2 3.32Å; W434-N438 HydrophobicContact CE3-CB 4.5Å; W434-N438 HydrophobicContact CH2-CB 4.37Å; W434-N438 HydrophobicContact CZ3-CB 4.35Å; W434-N438 PolarHBondContact NE1-ND2 3.48Å; W434-N438 PolarHBondContact O-N 3.15Å; W434-N438 VanDerWaalsContact O-N 3.09Å; W434-N438 PolarHBondContact O-ND2 2.9Å; W435-N438 PolarHBondContact O-N 2.89Å; N438-K440 PolarHBondContact O-N 3.14Å; N438-K440 VanDerWaalsContact OD1-CE 3.31Å; N438-K440 WeakPolarHBondContact OD1-CE 3.17Å; N438-Y441 HydrophobicContact CB-CD2 3.92Å; N438-Y441 HydrophobicContact CB-CE2 4.21Å; N438-Y441 PolarHBondContact O-N 3.42Å; N438-Y445 PolarHBondContact O-OH 3.19Å
439I90.1Very high93.1Very high130 Ų13041.4 Ų41.467%0.66722%0.221SC*.G310 helixtrans-59.7-18.1-178.563.8172000114.5S437 Y441 I442 Y445S437-I439 PolarHBondContact O-N 3.07Å; I439-Y441 PolarHBondContact O-N 3.36Å; I439-Y441 VanDerWaalsContact O-N 3.14Å; I439-I442 WeakPolarHBondContact O-CB 3.48Å; I439-I442 PolarHBondContact O-N 3.22Å; I439-Y445 WeakPolarHBondContact CA-OH 3.5Å
440K90.3Very high93.3Very high101 Ų10140.4 Ų40.444%0.43921%0.214SC..G310 helixtrans-60-20.5176.261.6-174.3166.7-170.80113.6E422 N438E422-K440 IonicContact OE1-NZ 2.7Å; E422-K440 PolarHBondContact OE1-NZ 3.32Å; E422-K440 IonicContact OE2-NZ 3.29Å; N438-K440 PolarHBondContact O-N 3.14Å; N438-K440 VanDerWaalsContact OD1-CE 3.31Å; N438-K440 WeakPolarHBondContact OD1-CE 3.17Å
441Y91.6Very high93.6Very high2 Ų237 Ų371%0.00820%0.196CC..G310 helixtrans-109.127.7179.6-50.5-66.9000113.2L415 L418 Y419 E422 W434 W435 N438 I439 S443 L444 Y445L415-Y441 HydrophobicContact CD1-CD1 3.63Å; L415-Y441 HydrophobicContact CD1-CE1 4.2Å; L415-Y441 HydrophobicContact CG-CD1 4.15Å; L418-Y441 HydrophobicContact CB-CE1 4.25Å; L418-Y441 PolarHBondContact O-OH 2.96Å; Y419-Y441 WeakPolarHBondContact CA-OH 3.41Å; E422-Y441 VanDerWaalsContact CG-OH 3.24Å; E422-Y441 WeakPolarHBondContact CG-OH 3.42Å; W434-Y441 AromaticContact CH2-CD2 3.96Å; W434-Y441 HydrophobicContact CH2-CD2 3.96Å; W434-Y441 AromaticContact CH2-CE2 3.53Å; W434-Y441 HydrophobicContact CH2-CE2 3.53Å; W434-Y441 HydrophobicContact CZ2-CE2 4.31Å; W434-Y441 HydrophobicContact CZ3-CD2 4.2Å; W434-Y441 HydrophobicContact CZ3-CE2 4.23Å; W435-Y441 HydrophobicContact CZ3-CD2 4.18Å; W435-Y441 HydrophobicContact CZ3-CG 4.1Å; N438-Y441 HydrophobicContact CB-CD2 3.92Å; N438-Y441 HydrophobicContact CB-CE2 4.21Å; N438-Y441 PolarHBondContact O-N 3.42Å; I439-Y441 PolarHBondContact O-N 3.36Å; I439-Y441 VanDerWaalsContact O-N 3.14Å; Y441-S443 PolarHBondContact O-N 3.35Å; Y441-S443 VanDerWaalsContact O-N 3.09Å; Y441-L444 WeakPolarHBondContact O-CB 3.44Å; Y441-L444 PolarHBondContact O-N 3.43Å; Y441-Y445 WeakPolarHBondContact O-CD1 3.44Å
442I90.2Very high93.6Very high87 Ų8736.5 Ų36.545%0.44619%0.193SC..G310 helixtrans-54-32.3-176.2-162.8162.6000113.8I439 L444 Y445I439-I442 WeakPolarHBondContact O-CB 3.48Å; I439-I442 PolarHBondContact O-N 3.22Å; I442-L444 PolarHBondContact O-N 3.05Å; I442-Y445 HydrophobicContact CB-CD2 4.39Å; I442-Y445 HydrophobicContact CB-CE2 4.34Å; I442-Y445 HydrophobicContact CG1-CD2 3.78Å; I442-Y445 HydrophobicContact CG1-CE2 3.9Å; I442-Y445 HydrophobicContact CG1-CG 4.39Å; I442-Y445 VanDerWaalsContact O-CB 3.27Å; I442-Y445 WeakPolarHBondContact O-CB 3.49Å; I442-Y445 PolarHBondContact O-N 3.33Å; I442-Y445 VanDerWaalsContact O-N 3.13Å
443S89.9Confident93.5Very high60 Ų6036.5 Ų36.542%0.4219%0.193SC..G310 helixtrans-63.5-27.7175.850.30000113.1L354 L415 Y441L354-S443 VanDerWaalsContact CD2-O 3.26Å; L354-S443 WeakPolarHBondContact CD2-O 3.18Å; L415-S443 WeakPolarHBondContact CD2-OG 3.42Å; Y441-S443 PolarHBondContact O-N 3.35Å; Y441-S443 VanDerWaalsContact O-N 3.09Å
444L93.4Very high93.5Very high0 Ų033.6 Ų33.60%018%0.179CC..G310 helixtrans-83.9-10.5176.9-60.5-179.5000112.9V350 L354 L415 L416 W435 Y441 I442 G446 I447 V448V350-L444 HydrophobicContact CG1-CD2 3.72Å; L354-L444 HydrophobicContact CD1-CD2 4.39Å; L415-L444 HydrophobicContact CD2-CD1 4.07Å; L415-L444 HydrophobicContact CD2-CD2 4.03Å; L415-L444 HydrophobicContact CD2-CG 3.78Å; L415-L444 HydrophobicContact CG-CD1 4.39Å; L416-L444 HydrophobicContact CD2-CD1 4.34Å; W435-L444 HydrophobicContact CH2-CB 4.31Å; W435-L444 HydrophobicContact CH2-CD1 3.95Å; W435-L444 HydrophobicContact CZ3-CB 4.07Å; W435-L444 HydrophobicContact CZ3-CD1 4.23Å; Y441-L444 WeakPolarHBondContact O-CB 3.44Å; Y441-L444 PolarHBondContact O-N 3.43Å; I442-L444 PolarHBondContact O-N 3.05Å; L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 2.89Å; L444-I447 HydrophobicContact CD2-CD1 4.19Å; L444-I447 WeakPolarHBondContact O-CB 3.13Å; L444-I447 PolarHBondContact O-N 2.83Å; L444-V448 HydrophobicContact CB-CG2 4.25Å; L444-V448 VanDerWaalsContact O-CG2 3.3Å; L444-V448 WeakPolarHBondContact O-CG2 3.43Å; L444-V448 PolarHBondContact O-N 3.23Å
445Y94.5Very high93.3Very high11 Ų1132 Ų324%0.04317%0.174CC..Hα-helixtrans-58.6-41.4-171.3-763.1000113.4F87 W435 N438 I439 Y441 I442 I447 V448 R449F87-Y445 HydrophobicContact CE2-CD1 4.16Å; F87-Y445 AromaticContact CE2-CD2 3.66Å; F87-Y445 HydrophobicContact CE2-CD2 3.66Å; F87-Y445 HydrophobicContact CE2-CE1 4.18Å; F87-Y445 AromaticContact CE2-CE2 3.72Å; F87-Y445 HydrophobicContact CE2-CE2 3.72Å; F87-Y445 AromaticContact CE2-CG 3.88Å; F87-Y445 HydrophobicContact CE2-CG 3.88Å; F87-Y445 AromaticContact CE2-CZ 3.95Å; F87-Y445 AromaticContact CZ-CD1 3.59Å; F87-Y445 HydrophobicContact CZ-CD1 3.59Å; F87-Y445 AromaticContact CZ-CD2 3.88Å; F87-Y445 HydrophobicContact CZ-CD2 3.88Å; F87-Y445 AromaticContact CZ-CE1 3.87Å; F87-Y445 HydrophobicContact CZ-CE1 3.87Å; F87-Y445 HydrophobicContact CZ-CE2 4.16Å; F87-Y445 AromaticContact CZ-CG 3.57Å; F87-Y445 HydrophobicContact CZ-CG 3.57Å; W435-Y445 HydrophobicContact CE3-CD1 4.33Å; W435-Y445 HydrophobicContact CE3-CE1 4.22Å; W435-Y445 WeakPolarHBondContact O-CE1 3.26Å; W435-Y445 PolarHBondContact O-OH 3.14Å; N438-Y445 PolarHBondContact O-OH 3.19Å; I439-Y445 WeakPolarHBondContact CA-OH 3.5Å; Y441-Y445 WeakPolarHBondContact O-CD1 3.44Å; I442-Y445 HydrophobicContact CB-CD2 4.39Å; I442-Y445 HydrophobicContact CB-CE2 4.34Å; I442-Y445 HydrophobicContact CG1-CD2 3.78Å; I442-Y445 HydrophobicContact CG1-CE2 3.9Å; I442-Y445 HydrophobicContact CG1-CG 4.39Å; I442-Y445 VanDerWaalsContact O-CB 3.27Å; I442-Y445 WeakPolarHBondContact O-CB 3.49Å; I442-Y445 PolarHBondContact O-N 3.33Å; I442-Y445 VanDerWaalsContact O-N 3.13Å; Y445-I447 VanDerWaalsContact C-N 3.32Å; Y445-I447 PolarHBondContact O-N 2.99Å; Y445-V448 PolarHBondContact O-N 3.47Å; Y445-R449 WeakPolarHBondContact O-CB 3.47Å; Y445-R449 VanDerWaalsContact O-CG 3.32Å; Y445-R449 WeakPolarHBondContact O-CG 3.43Å; Y445-R449 PolarHBondContact O-N 2.96Å
446G93.7Very high93Very high40 Ų4032.1 Ų32.141%0.41217%0.174SC..Hα-helixtrans-62.1-41.1176.500000112.4L444 K450L444-G446 VanDerWaalsContact C-N 3.33Å; L444-G446 PolarHBondContact O-N 2.89Å; G446-K450 WeakPolarHBondContact O-CB 3.29Å; G446-K450 PolarHBondContact O-N 3.37Å; G446-K450 VanDerWaalsContact O-N 3.11Å
447I95.5Very high92.8Very high9 Ų929.6 Ų29.65%0.04617%0.167CC..Hα-helixtrans-66-48.9177.5-57.2178.2000109.9M325 L329 V350 Q353 L354 L444 Y445 R449 K450 F451M325-I447 HydrophobicContact CE-CG2 3.4Å; M325-I447 VanDerWaalsContact CE-CG2 3.4Å; L329-I447 HydrophobicContact CD1-CG2 3.66Å; V350-I447 HydrophobicContact CG1-CD1 4.13Å; Q353-I447 HydrophobicContact CB-CD1 3.69Å; Q353-I447 HydrophobicContact CB-CG1 3.88Å; L354-I447 HydrophobicContact CD2-CD1 3.84Å; L354-I447 HydrophobicContact CG-CD1 3.84Å; L444-I447 HydrophobicContact CD2-CD1 4.19Å; L444-I447 WeakPolarHBondContact O-CB 3.13Å; L444-I447 PolarHBondContact O-N 2.83Å; Y445-I447 VanDerWaalsContact C-N 3.32Å; Y445-I447 PolarHBondContact O-N 2.99Å; I447-R449 PolarHBondContact O-N 3.33Å; I447-K450 WeakPolarHBondContact O-CB 3.45Å; I447-K450 PolarHBondContact O-N 2.94Å; I447-K450 VanDerWaalsContact O-N 3.15Å; I447-F451 HydrophobicContact CG2-CD2 3.6Å; I447-F451 HydrophobicContact CG2-CE2 3.84Å; I447-F451 VanDerWaalsContact O-CD2 3.32Å; I447-F451 WeakPolarHBondContact O-CD2 3.34Å; I447-F451 PolarHBondContact O-N 3.32Å
448V95.8Very high92.3Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-58.5-48.4179172.40000110.9F87 L329 W435 L444 Y445 K450 F451 L452F87-V448 HydrophobicContact CE1-CG1 3.98Å; L329-V448 HydrophobicContact CB-CG2 4.45Å; L329-V448 HydrophobicContact CD1-CG2 4.33Å; L329-V448 HydrophobicContact CD2-CG2 4.26Å; W435-V448 HydrophobicContact CB-CG1 4.33Å; W435-V448 HydrophobicContact CD2-CB 4.35Å; W435-V448 HydrophobicContact CD2-CG1 3.82Å; W435-V448 HydrophobicContact CD2-CG2 3.73Å; W435-V448 HydrophobicContact CE3-CG2 3.85Å; W435-V448 HydrophobicContact CG-CG1 3.66Å; W435-V448 HydrophobicContact CG-CG2 4.46Å; W435-V448 HydrophobicContact CH2-CG2 3.67Å; W435-V448 HydrophobicContact CZ2-CG2 3.53Å; W435-V448 HydrophobicContact CZ3-CG2 3.8Å; L444-V448 HydrophobicContact CB-CG2 4.25Å; L444-V448 VanDerWaalsContact O-CG2 3.3Å; L444-V448 WeakPolarHBondContact O-CG2 3.43Å; L444-V448 PolarHBondContact O-N 3.23Å; Y445-V448 PolarHBondContact O-N 3.47Å; V448-K450 VanDerWaalsContact C-N 3.26Å; V448-K450 PolarHBondContact O-N 3.44Å; V448-F451 PolarHBondContact O-N 2.94Å; V448-L452 HydrophobicContact CG1-CD1 3.65Å; V448-L452 HydrophobicContact CG1-CG 4.14Å; V448-L452 VanDerWaalsContact O-CB 3.25Å; V448-L452 WeakPolarHBondContact O-CB 3.43Å; V448-L452 PolarHBondContact O-N 3.15Å
449R95.8Very high90.8Very high19 Ų1927.3 Ų27.37%0.07215%0.153CC..Hα-helixtrans-61.3-35.2178.1-71.5-164.5-59.5-84.3-2112.5D58 I83 S84 F87 Y445 I447 S453D58-R449 IonicContact OD2-CZ 3.65Å; D58-R449 VanDerWaalsContact OD2-CZ 3.29Å; D58-R449 IonicContact OD2-NE 3.22Å; D58-R449 PolarHBondContact OD2-NE 3.34Å; D58-R449 VanDerWaalsContact OD2-NE 3.09Å; D58-R449 IonicContact OD2-NH2 3.14Å; D58-R449 PolarHBondContact OD2-NH2 3.24Å; I83-R449 HydrophobicContact CB-CB 4.05Å; I83-R449 HydrophobicContact CB-CG 4.03Å; I83-R449 HydrophobicContact CG2-CB 4.32Å; I83-R449 HydrophobicContact CG2-CG 3.74Å; I83-R449 WeakPolarHBondContact O-CD 3.43Å; S84-R449 WeakPolarHBondContact O-CD 3.23Å; F87-R449 HydrophobicContact CE1-CG 4.23Å; Y445-R449 WeakPolarHBondContact O-CB 3.47Å; Y445-R449 VanDerWaalsContact O-CG 3.32Å; Y445-R449 WeakPolarHBondContact O-CG 3.43Å; Y445-R449 PolarHBondContact O-N 2.96Å; I447-R449 PolarHBondContact O-N 3.33Å; R449-S453 VanDerWaalsContact O-CB 3.24Å; R449-S453 WeakPolarHBondContact O-CB 3.38Å; R449-S453 PolarHBondContact O-OG 3.01Å
450K95.7Very high89.4Confident54 Ų5422 Ų2224%0.23513%0.126CC..Hα-helixtrans-68.3-58.7175.8179.7176.1175.1-179.50111.4A59 H128 G446 I447 V448 S453A59-K450 HydrophobicContact CB-CB 3.97Å; A59-K450 HydrophobicContact CB-CG 3.92Å; H128-K450 HydrophobicContact CB-CG 4.17Å; H128-K450 PolarHBondContact CD2-O 2.92Å; G446-K450 WeakPolarHBondContact O-CB 3.29Å; G446-K450 PolarHBondContact O-N 3.37Å; G446-K450 VanDerWaalsContact O-N 3.11Å; I447-K450 WeakPolarHBondContact O-CB 3.45Å; I447-K450 PolarHBondContact O-N 2.94Å; I447-K450 VanDerWaalsContact O-N 3.15Å; V448-K450 VanDerWaalsContact C-N 3.26Å; V448-K450 PolarHBondContact O-N 3.44Å; K450-S453 PolarHBondContact O-N 2.9Å; K450-S453 PolarHBondContact O-OG 2.84Å
451F96.1Very high87.8Confident4 Ų420.8 Ų20.82%0.01813%0.13CC..Hα-helixtrans-79.1-27.3-170.8-72.5-82.4000114.4H128 M325 A326 L329 E349 Q353 I447 V448 S453H128-F451 AromaticContact CE1-CD1 3.55Å; H128-F451 AromaticContact CE1-CE1 3.58Å; H128-F451 AromaticContact NE2-CD1 3.68Å; M325-F451 HydrophobicContact CB-CB 4.14Å; M325-F451 HydrophobicContact CB-CD1 3.38Å; M325-F451 HydrophobicContact CB-CD2 4.13Å; M325-F451 HydrophobicContact CB-CE1 3.67Å; M325-F451 HydrophobicContact CB-CE2 4.4Å; M325-F451 HydrophobicContact CB-CG 3.62Å; M325-F451 HydrophobicContact CB-CZ 4.17Å; M325-F451 HydrophobicContact CE-CD2 3.86Å; M325-F451 HydrophobicContact CE-CE2 3.66Å; M325-F451 HydrophobicContact CE-CZ 4.13Å; M325-F451 HydrophobicContact CG-CD1 4.09Å; M325-F451 HydrophobicContact CG-CE1 3.84Å; M325-F451 HydrophobicContact CG-CE2 4.36Å; M325-F451 HydrophobicContact CG-CG 4.43Å; M325-F451 HydrophobicContact CG-CZ 3.98Å; A326-F451 WeakPolarHBondContact CB-O 3.4Å; L329-F451 HydrophobicContact CD1-CB 4.31Å; E349-F451 HydrophobicContact CG-CZ 4.46Å; Q353-F451 HydrophobicContact CG-CE2 4.27Å; I447-F451 HydrophobicContact CG2-CD2 3.6Å; I447-F451 HydrophobicContact CG2-CE2 3.84Å; I447-F451 VanDerWaalsContact O-CD2 3.32Å; I447-F451 WeakPolarHBondContact O-CD2 3.34Å; I447-F451 PolarHBondContact O-N 3.32Å; V448-F451 PolarHBondContact O-N 2.94Å; F451-S453 VanDerWaalsContact C-N 3.32Å
452L95.1Very high86.2Confident2 Ų224.8 Ų24.81%0.0115%0.149CC..THydrogen-bonded Turntrans-84.5-3.2173.1-61.6-171.3000113.2I83 T271 A326 L432 V448I83-L452 HydrophobicContact CD1-CB 3.83Å; T271-L452 WeakPolarHBondContact CG2-O 3.42Å; A326-L452 HydrophobicContact CB-CD2 4.47Å; A326-L452 WeakPolarHBondContact O-CD2 3.37Å; L432-L452 HydrophobicContact CD2-CB 4.27Å; L432-L452 HydrophobicContact CD2-CD1 3.96Å; V448-L452 HydrophobicContact CG1-CD1 3.65Å; V448-L452 HydrophobicContact CG1-CG 4.14Å; V448-L452 VanDerWaalsContact O-CB 3.25Å; V448-L452 WeakPolarHBondContact O-CB 3.43Å; V448-L452 PolarHBondContact O-N 3.15Å
453S92.5Very high84.7Confident7 Ų722 Ų225%0.04914%0.142CC..SBendtrans-76.6-23.8177.365.40000114S61 S81 R449 K450 F451 P455S61-S453 PolarHBondContact OG-OG 2.88Å; S81-S453 PolarHBondContact OG-O 3.41Å; R449-S453 VanDerWaalsContact O-CB 3.24Å; R449-S453 WeakPolarHBondContact O-CB 3.38Å; R449-S453 PolarHBondContact O-OG 3.01Å; K450-S453 PolarHBondContact O-N 2.9Å; K450-S453 PolarHBondContact O-OG 2.84Å; F451-S453 VanDerWaalsContact C-N 3.32Å; S453-P455 WeakPolarHBondContact O-CD 3.36Å
454A92.8Very high83.5Confident5 Ų519.7 Ų19.74%0.04113%0.125CC..SBendtrans-69.9124.1-174.800000111.3S61 T271 T272S61-A454 WeakPolarHBondContact OG-CA 3.41Å; S61-A454 WeakPolarHBondContact OG-CB 3.45Å; T271-A454 CarbonylContact C-O 3.52Å; T271-A454 WeakPolarHBondContact CA-O 3.35Å; T271-A454 VanDerWaalsContact CB-O 3.29Å; T271-A454 WeakPolarHBondContact CB-O 3.39Å; T272-A454 PolarHBondContact N-O 3.28Å; T272-A454 WeakPolarHBondContact OG1-CB 3.3Å; T272-A454 PolarHBondContact OG1-O 2.88Å
455P91.9Very high82.2Confident3 Ų320 Ų202%0.01913%0.126CC..BIsolated β-bridgetrans-76150.5176.429-34.4000110.9S81 I131 T272 S453 A457 V459S81-P455 WeakPolarHBondContact OG-CD 3.44Å; I131-P455 VanDerWaalsContact CD1-CD 3.46Å; I131-P455 HydrophobicContact CD1-CG 3.58Å; I131-P455 WeakPolarHBondContact CD1-O 3.49Å; T272-P455 PolarHBondContact OG1-O 3.47Å; S453-P455 WeakPolarHBondContact O-CD 3.36Å; P455-A457 VanDerWaalsContact C-N 3.26Å; P455-A457 WeakPolarHBondContact CB-O 3.44Å; P455-A457 PolarHBondContact O-N 3.41Å; P455-V459 HydrophobicContact CB-CG2 4.07Å; P455-V459 HydrophobicContact CG-CG2 3.7Å
456A90.3Very high80.8Confident1 Ų126.5 Ų26.51%0.00815%0.15CC..SBendtrans-71.9-23.1175.700000113.1S146 W265 T270 V275S146-A456 VanDerWaalsContact CB-O 3.31Å; S146-A456 WeakPolarHBondContact CB-O 3.4Å; S146-A456 PolarHBondContact N-O 3.3Å; S146-A456 VanDerWaalsContact N-O 3.14Å; S146-A456 PolarHBondContact OG-O 3.09Å; W265-A456 HydrophobicContact CB-CB 3.88Å; W265-A456 VanDerWaalsContact CD1-CB 3.43Å; W265-A456 HydrophobicContact CD2-CB 4.5Å; W265-A456 HydrophobicContact CG-CB 3.69Å; T270-A456 HydrophobicContact CG2-CB 4.14Å; V275-A456 HydrophobicContact CG2-CB 4.04Å
457A87.9Confident79.6Confident10 Ų1031.7 Ų31.78%0.08316%0.161CC..SBendtrans-124.3155.6-178.800000111.9V147 W265 P455 V459V147-A457 HydrophobicContact CB-CB 4.22Å; V147-A457 HydrophobicContact CG2-CB 3.6Å; W265-A457 WeakPolarHBondContact O-CB 3.42Å; P455-A457 VanDerWaalsContact C-N 3.26Å; P455-A457 WeakPolarHBondContact CB-O 3.44Å; P455-A457 PolarHBondContact O-N 3.41Å; A457-V459 PolarHBondContact O-N 3.43Å
458S83.3Confident78.4Confident12 Ų1231.2 Ų31.28%0.08416%0.159CC..  trans-62.1131.2165.654.40000109.1C145 V460C145-S458 PolarHBondContact SG-N 3.39Å; S458-V460 VanDerWaalsContact C-N 3.28Å; S458-V460 PolarHBondContact O-N 2.88Å
459V61Low77.1Confident17 Ų1733.9 Ų33.910%0.10318%0.175CC..SBendtrans-75.7-8.3-158.41750000114.1S63 S79 P455 A457 S461 F496S63-V459 WeakPolarHBondContact OG-CB 3.45Å; S63-V459 WeakPolarHBondContact OG-CG2 3.44Å; S63-V459 PolarHBondContact OG-N 3.29Å; S79-V459 WeakPolarHBondContact OG-CB 3.14Å; P455-V459 HydrophobicContact CB-CG2 4.07Å; P455-V459 HydrophobicContact CG-CG2 3.7Å; A457-V459 PolarHBondContact O-N 3.43Å; V459-S461 PolarHBondContact O-N 3.45Å; V459-F496 HydrophobicContact CG1-CE1 4.08Å; V459-F496 HydrophobicContact CG1-CZ 3.87Å
460V60.3Low75.9Confident17 Ų1734.5 Ų34.510%0.10318%0.179CC..  trans-87.5114.5-178.9-167.40000111.5S65 S77 M93 S458 L464 F465S65-V460 WeakPolarHBondContact OG-CB 3.35Å; S65-V460 WeakPolarHBondContact OG-CG2 3.47Å; S77-V460 WeakPolarHBondContact OG-CG2 3.27Å; M93-V460 HydrophobicContact CE-CG2 3.45Å; M93-V460 VanDerWaalsContact CE-CG2 3.45Å; M93-V460 HydrophobicContact SD-CG2 4.28Å; S458-V460 VanDerWaalsContact C-N 3.28Å; S458-V460 PolarHBondContact O-N 2.88Å; V460-L464 HydrophobicContact CG1-CB 4.12Å; V460-L464 HydrophobicContact CG1-CD2 3.86Å; V460-F465 HydrophobicContact CB-CE2 4.15Å; V460-F465 HydrophobicContact CB-CZ 4.24Å; V460-F465 HydrophobicContact CG1-CD2 4.13Å; V460-F465 HydrophobicContact CG1-CE1 4.08Å; V460-F465 HydrophobicContact CG1-CE2 3.41Å; V460-F465 VanDerWaalsContact CG1-CE2 3.41Å; V460-F465 HydrophobicContact CG1-CZ 3.43Å; V460-F465 VanDerWaalsContact CG1-CZ 3.43Å
461S55.7Low74.6Confident76 Ų7632.1 Ų32.153%0.53117%0.169SC..  trans-67.3132.8169.164.10000109.8V459 G463 L464V459-S461 PolarHBondContact O-N 3.45Å; S461-G463 PolarHBondContact O-N 2.96Å; S461-L464 PolarHBondContact O-N 3.2Å; S461-L464 PolarHBondContact OG-N 3.47Å
462E58.2Low73.4Confident87 Ų8732.4 Ų32.441%0.40717%0.17SC..Hα-helixtrans-46.1-25.2161.6-67.6175.7174.200111.8F465 R466E462-F465 PolarHBondContact O-N 3.43Å; E462-R466 PolarHBondContact O-N 2.93Å
463G58.9Low72.1Confident28 Ų2838.5 Ų38.529%0.28920%0.196SC..Hα-helixtrans-60.1-36.5171.400000115.4S461 F465 K467S461-G463 PolarHBondContact O-N 2.96Å; G463-F465 VanDerWaalsContact C-N 3.31Å; G463-K467 VanDerWaalsContact O-CB 3.24Å; G463-K467 WeakPolarHBondContact O-CB 3.49Å; G463-K467 WeakPolarHBondContact O-CD 3.36Å; G463-K467 WeakPolarHBondContact O-CG 3.28Å; G463-K467 PolarHBondContact O-N 3.5Å
464L65.6Low71.1Confident12 Ų1238.2 Ų38.26%0.06319%0.194CC..Hα-helixtrans-63.4-42.6173.5-177.176.6000110.1M93 V460 S461 K467 S468 K491 A492M93-L464 HydrophobicContact CE-CD2 4.28Å; V460-L464 HydrophobicContact CG1-CB 4.12Å; V460-L464 HydrophobicContact CG1-CD2 3.86Å; S461-L464 PolarHBondContact O-N 3.2Å; S461-L464 PolarHBondContact OG-N 3.47Å; L464-K467 PolarHBondContact O-N 3.06Å; L464-S468 WeakPolarHBondContact O-CB 3.4Å; L464-S468 PolarHBondContact O-N 3.5Å; L464-S468 PolarHBondContact O-OG 2.74Å; L464-K491 HydrophobicContact CD1-CG 4.39Å; L464-A492 HydrophobicContact CD1-CB 4Å; L464-A492 HydrophobicContact CD2-CB 3.92Å
465F66.6Low70.1Confident6 Ų639.9 Ų39.93%0.02620%0.202CC..Hα-helixtrans-69.8-49.1-179.4-59.3-47.3000111.9W67 L75 V460 E462 G463 K467 S468 T469W67-F465 HydrophobicContact CB-CB 4.37Å; W67-F465 HydrophobicContact CB-CD1 4.28Å; W67-F465 HydrophobicContact CB-CD2 3.26Å; W67-F465 HydrophobicContact CB-CE1 4.41Å; W67-F465 HydrophobicContact CB-CE2 3.38Å; W67-F465 HydrophobicContact CB-CG 3.71Å; W67-F465 HydrophobicContact CB-CZ 3.94Å; W67-F465 HydrophobicContact CD2-CB 4.11Å; W67-F465 HydrophobicContact CD2-CG 4.35Å; W67-F465 HydrophobicContact CG-CB 3.99Å; W67-F465 AromaticContact CG-CD2 3.69Å; W67-F465 HydrophobicContact CG-CD2 3.69Å; W67-F465 HydrophobicContact CG-CE2 4.3Å; W67-F465 AromaticContact CG-CG 3.89Å; W67-F465 HydrophobicContact CG-CG 3.89Å; L75-F465 HydrophobicContact CB-CD1 3.59Å; L75-F465 HydrophobicContact CB-CE1 3.17Å; L75-F465 HydrophobicContact CB-CZ 3.86Å; L75-F465 HydrophobicContact CD1-CD1 3.33Å; L75-F465 HydrophobicContact CD1-CE1 3.79Å; L75-F465 HydrophobicContact CD1-CG 4.31Å; L75-F465 HydrophobicContact CG-CD1 4.01Å; L75-F465 HydrophobicContact CG-CE1 3.97Å; V460-F465 HydrophobicContact CB-CE2 4.15Å; V460-F465 HydrophobicContact CB-CZ 4.24Å; V460-F465 HydrophobicContact CG1-CD2 4.13Å; V460-F465 HydrophobicContact CG1-CE1 4.08Å; V460-F465 HydrophobicContact CG1-CE2 3.41Å; V460-F465 VanDerWaalsContact CG1-CE2 3.41Å; V460-F465 HydrophobicContact CG1-CZ 3.43Å; V460-F465 VanDerWaalsContact CG1-CZ 3.43Å; E462-F465 PolarHBondContact O-N 3.43Å; G463-F465 VanDerWaalsContact C-N 3.31Å; F465-K467 VanDerWaalsContact C-N 3.28Å; F465-K467 PolarHBondContact O-N 3.47Å; F465-S468 CarbonylContact O-C 3.54Å; F465-S468 WeakPolarHBondContact O-CA 3.35Å; F465-S468 PolarHBondContact O-N 3.01Å; F465-T469 PolarHBondContact O-N 3.11Å; F465-T469 PolarHBondContact O-OG1 3.33Å
466R64.9Low68.9Low148 Ų14845.4 Ų45.456%0.55823%0.227SC*.Hα-helixtrans-55.6-41.4172.8-77.4-175.6173.6-178.6-2.4112.3D207 E462 S468 T469D207-R466 IonicContact OD2-NH2 3.52Å; D207-R466 PolarHBondContact OD2-NH2 2.9Å; E462-R466 PolarHBondContact O-N 2.93Å; R466-S468 PolarHBondContact O-N 3.26Å; R466-T469 PolarHBondContact O-OG1 3.24Å; R466-T469 VanDerWaalsContact O-OG1 3.07Å
467K67.9Low67.9Low148 Ų14847.7 Ų47.764%0.64325%0.247SC*.Hα-helixtrans-70.4-20.5176.8-73.5173.6-177.1178.20112.7G463 L464 F465 H470 K491G463-K467 VanDerWaalsContact O-CB 3.24Å; G463-K467 WeakPolarHBondContact O-CB 3.49Å; G463-K467 WeakPolarHBondContact O-CD 3.36Å; G463-K467 WeakPolarHBondContact O-CG 3.28Å; G463-K467 PolarHBondContact O-N 3.5Å; L464-K467 PolarHBondContact O-N 3.06Å; F465-K467 VanDerWaalsContact C-N 3.28Å; F465-K467 PolarHBondContact O-N 3.47Å; K467-H470 PolarHBondContact O-CE1 3.25Å; K467-H470 PolarHBondContact O-ND1 2.89Å; K467-H470 VanDerWaalsContact O-ND1 3.14Å; K467-K491 PolarHBondContact O-NZ 3.11Å
468S69.3Low67.1Low0 Ų050.2 Ų50.20%027%0.274CS..Hα-helixtrans-1098.7-174.1-510000113.2L464 F465 R466 H470 L471 L488 K491L464-S468 WeakPolarHBondContact O-CB 3.4Å; L464-S468 PolarHBondContact O-N 3.5Å; L464-S468 PolarHBondContact O-OG 2.74Å; F465-S468 CarbonylContact O-C 3.54Å; F465-S468 WeakPolarHBondContact O-CA 3.35Å; F465-S468 PolarHBondContact O-N 3.01Å; R466-S468 PolarHBondContact O-N 3.26Å; S468-H470 PolarHBondContact O-N 2.76Å; S468-H470 VanDerWaalsContact O-N 3.13Å; S468-L471 WeakPolarHBondContact O-CB 3.34Å; S468-L471 PolarHBondContact O-N 3.06Å; S468-L488 VanDerWaalsContact CB-CD2 3.48Å; S468-K491 WeakPolarHBondContact OG-CD 3.46Å; S468-K491 VanDerWaalsContact OG-CE 3.3Å; S468-K491 WeakPolarHBondContact OG-CE 3.32Å; S468-K491 PolarHBondContact OG-NZ 2.87Å
469T68.8Low66.7Low55 Ų5549.9 Ų49.934%0.33727%0.271SS..THydrogen-bonded Turntrans-55.4-31.3176-49.90000112.3F465 R466 L471 Y472 F473F465-T469 PolarHBondContact O-N 3.11Å; F465-T469 PolarHBondContact O-OG1 3.33Å; R466-T469 PolarHBondContact O-OG1 3.24Å; R466-T469 VanDerWaalsContact O-OG1 3.07Å; T469-L471 PolarHBondContact O-N 3.43Å; T469-Y472 WeakPolarHBondContact O-CB 3.29Å; T469-Y472 PolarHBondContact O-N 3.48Å; T469-Y472 VanDerWaalsContact O-N 3.13Å; T469-F473 HydrophobicContact CG2-CE2 4.47Å
470H70.4Confident67.6Low32 Ų3251.6 Ų51.615%0.14828%0.284CS..Hα-helixtrans-61.2-28.4175.564.5-92.1000114.3N4 K467 S468 Y472 F473 D474 K491N4-H470 PolarHBondContact O-CE1 3.32Å; K467-H470 PolarHBondContact O-CE1 3.25Å; K467-H470 PolarHBondContact O-ND1 2.89Å; K467-H470 VanDerWaalsContact O-ND1 3.14Å; S468-H470 PolarHBondContact O-N 2.76Å; S468-H470 VanDerWaalsContact O-N 3.13Å; H470-Y472 PolarHBondContact O-N 3.08Å; H470-F473 WeakPolarHBondContact O-CB 3.45Å; H470-F473 PolarHBondContact O-N 3.3Å; H470-F473 VanDerWaalsContact O-N 3.1Å; H470-D474 IonicContact CD2-OD2 2.81Å; H470-D474 PolarHBondContact O-N 2.94Å; H470-K491 PolarHBondContact CE1-NZ 3.42Å
471L70.2Confident68.3Low5 Ų554.2 Ų54.23%0.02630%0.301CS..Hα-helixtrans-67-24.5178.8-66175.2000111.7S468 T469 D474 M475 M487 L488S468-L471 WeakPolarHBondContact O-CB 3.34Å; S468-L471 PolarHBondContact O-N 3.06Å; T469-L471 PolarHBondContact O-N 3.43Å; L471-D474 PolarHBondContact O-N 2.67Å; L471-M475 VanDerWaalsContact O-CG 3.23Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 3.25Å; L471-M487 HydrophobicContact CD1-CB 4.44Å; L471-M487 HydrophobicContact CD2-CB 4.48Å; L471-M487 HydrophobicContact CD2-CE 3.88Å; L471-M487 HydrophobicContact CD2-SD 4.29Å; L471-L488 HydrophobicContact CD1-CD1 4.39Å; L471-L488 HydrophobicContact CD1-CD2 3.61Å; L471-L488 HydrophobicContact CD1-CG 3.54Å
472Y68.9Low69.6Low9 Ų956.5 Ų56.54%0.03530%0.303CS..Hα-helixtrans-71.3-40.1171.4-67.7-71.5000112.2W67 E73 G74 L75 T469 H470 D474 M475 Q476W67-Y472 HydrophobicContact CE3-CE2 4.35Å; W67-Y472 HydrophobicContact CH2-CE2 4.37Å; W67-Y472 AromaticContact CZ3-CE2 3.64Å; W67-Y472 HydrophobicContact CZ3-CE2 3.64Å; W67-Y472 AromaticContact CZ3-CZ 3.78Å; W67-Y472 VanDerWaalsContact CZ3-OH 3.29Å; W67-Y472 WeakPolarHBondContact CZ3-OH 3.33Å; E73-Y472 HydrophobicContact CB-CD1 3.99Å; E73-Y472 HydrophobicContact CB-CE1 3.64Å; E73-Y472 HydrophobicContact CG-CD1 3.93Å; E73-Y472 HydrophobicContact CG-CE1 4.08Å; G74-Y472 PolarHBondContact O-OH 3.42Å; L75-Y472 HydrophobicContact CD1-CE2 3.64Å; L75-Y472 WeakPolarHBondContact CD1-OH 3.41Å; L75-Y472 HydrophobicContact CG-CE2 4.38Å; L75-Y472 WeakPolarHBondContact CG-OH 3.37Å; T469-Y472 WeakPolarHBondContact O-CB 3.29Å; T469-Y472 PolarHBondContact O-N 3.48Å; T469-Y472 VanDerWaalsContact O-N 3.13Å; H470-Y472 PolarHBondContact O-N 3.08Å; Y472-D474 VanDerWaalsContact C-N 3.3Å; Y472-D474 PolarHBondContact O-N 2.66Å; Y472-M475 HydrophobicContact CD1-SD 4.27Å; Y472-M475 WeakPolarHBondContact O-CB 3.5Å; Y472-M475 PolarHBondContact O-N 2.77Å; Y472-Q476 WeakPolarHBondContact O-CG 3.33Å; Y472-Q476 PolarHBondContact O-N 3.37Å
473F69.1Low70.6Confident130 Ų13053.2 Ų53.257%0.5729%0.29SS*.Hα-helixtrans-61.6-41.9171.2-64.8-59.3000110.9T469 H470 M475 Q476 A477T469-F473 HydrophobicContact CG2-CE2 4.47Å; H470-F473 WeakPolarHBondContact O-CB 3.45Å; H470-F473 PolarHBondContact O-N 3.3Å; H470-F473 VanDerWaalsContact O-N 3.1Å; F473-M475 VanDerWaalsContact C-N 3.31Å; F473-M475 PolarHBondContact O-N 3.33Å; F473-Q476 PolarHBondContact O-N 2.87Å; F473-Q476 VanDerWaalsContact O-N 3.15Å; F473-A477 WeakPolarHBondContact O-CB 3.33Å; F473-A477 PolarHBondContact O-N 3.18Å
474D70.9Confident71.6Confident1 Ų151.9 Ų51.91%0.00528%0.276CS..Hα-helixtrans-62.5-37.3175.5-65.5-26.7000112S6 H470 L471 Y472 A477 G478 L479S6-D474 VanDerWaalsContact CB-OD1 3.26Å; S6-D474 WeakPolarHBondContact CB-OD1 3.24Å; S6-D474 PolarHBondContact OG-OD1 3.48Å; H470-D474 IonicContact CD2-OD2 2.81Å; H470-D474 PolarHBondContact O-N 2.94Å; L471-D474 PolarHBondContact O-N 2.67Å; Y472-D474 VanDerWaalsContact C-N 3.3Å; Y472-D474 PolarHBondContact O-N 2.66Å; D474-A477 CarbonylContact O-C 3.52Å; D474-A477 PolarHBondContact O-N 3.22Å; D474-G478 PolarHBondContact O-N 3.1Å; D474-L479 VanDerWaalsContact C-CB 3.48Å; D474-L479 HydrophobicContact CB-CB 4.13Å; D474-L479 HydrophobicContact CB-CD2 3.88Å; D474-L479 WeakPolarHBondContact O-CB 3.45Å; D474-L479 PolarHBondContact O-N 3.42Å
475M71.1Confident72.4Confident40 Ų4052.3 Ų52.320%0.19728%0.28CS..Hα-helixtrans-63.6-41.7173.2-75.3173.364.800112.2A98 L471 Y472 F473 A477 G478 L479 P481 A484A98-M475 HydrophobicContact CB-CE 4Å; A98-M475 HydrophobicContact CB-SD 3.75Å; L471-M475 VanDerWaalsContact O-CG 3.23Å; L471-M475 WeakPolarHBondContact O-CG 3.38Å; L471-M475 PolarHBondContact O-N 3.25Å; Y472-M475 HydrophobicContact CD1-SD 4.27Å; Y472-M475 WeakPolarHBondContact O-CB 3.5Å; Y472-M475 PolarHBondContact O-N 2.77Å; F473-M475 VanDerWaalsContact C-N 3.31Å; F473-M475 PolarHBondContact O-N 3.33Å; M475-A477 VanDerWaalsContact C-N 3.27Å; M475-A477 PolarHBondContact O-N 3.29Å; M475-G478 PolarHBondContact O-N 3.27Å; M475-G478 VanDerWaalsContact O-N 3.15Å; M475-L479 WeakPolarHBondContact CA-O 3.36Å; M475-L479 HydrophobicContact CG-CB 4.42Å; M475-P481 HydrophobicContact CE-CB 3.88Å; M475-P481 HydrophobicContact CE-CG 3.94Å; M475-A484 HydrophobicContact CG-CB 3.72Å; M475-A484 HydrophobicContact SD-CB 3.58Å; M475-A484 VanDerWaalsContact SD-CB 3.58Å
476Q68.6Low73.3Confident119 Ų11954 Ų5456%0.55629%0.287SS*.Hα-helixtrans-66.1-31.5173.7-67.5175.414.900111.8E73 Y472 F473 G478E73-Q476 PolarHBondContact OE1-NE2 3.04Å; Y472-Q476 WeakPolarHBondContact O-CG 3.33Å; Y472-Q476 PolarHBondContact O-N 3.37Å; F473-Q476 PolarHBondContact O-N 2.87Å; F473-Q476 VanDerWaalsContact O-N 3.15Å; Q476-G478 PolarHBondContact O-N 3.24Å
477A68.1Low74.1Confident50 Ų5047.5 Ų47.541%0.41326%0.263SS..THydrogen-bonded Turntrans-82.112.8173.300000114F473 D474 M475F473-A477 WeakPolarHBondContact O-CB 3.33Å; F473-A477 PolarHBondContact O-N 3.18Å; D474-A477 CarbonylContact O-C 3.52Å; D474-A477 PolarHBondContact O-N 3.22Å; M475-A477 VanDerWaalsContact C-N 3.27Å; M475-A477 PolarHBondContact O-N 3.29Å
478G71.7Confident74.7Confident63 Ų6340.6 Ų40.665%0.64923%0.234SC*.THydrogen-bonded Turntrans99.58.3171.600000116.4D474 M475 Q476 S480D474-G478 PolarHBondContact O-N 3.1Å; M475-G478 PolarHBondContact O-N 3.27Å; M475-G478 VanDerWaalsContact O-N 3.15Å; Q476-G478 PolarHBondContact O-N 3.24Å; G478-S480 PolarHBondContact O-N 3.5Å
479L75.6Confident75.4Confident5 Ų541 Ų413%0.02624%0.236CC..  trans-65.8129.9167.6-172.366.4000109.9F7 E35 D474 M475 A484 M487F7-L479 HydrophobicContact CE2-CD1 4.11Å; E35-L479 WeakPolarHBondContact OE1-CD1 3.4Å; D474-L479 VanDerWaalsContact C-CB 3.48Å; D474-L479 HydrophobicContact CB-CB 4.13Å; D474-L479 HydrophobicContact CB-CD2 3.88Å; D474-L479 WeakPolarHBondContact O-CB 3.45Å; D474-L479 PolarHBondContact O-N 3.42Å; M475-L479 WeakPolarHBondContact CA-O 3.36Å; M475-L479 HydrophobicContact CG-CB 4.42Å; L479-A484 HydrophobicContact CD2-CB 3.84Å; L479-A484 HydrophobicContact CG-CB 4.41Å; L479-M487 HydrophobicContact CD2-SD 4.16Å
480S78.2Confident76.1Confident53 Ų5338.4 Ų38.437%0.37122%0.22SC..  trans-66.4143.5176720000111.1G478 E482 S483 A484G478-S480 PolarHBondContact O-N 3.5Å; S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 VanDerWaalsContact O-N 3.15Å; S480-S483 PolarHBondContact O-N 2.92Å; S480-S483 WeakPolarHBondContact OG-CB 3.39Å; S480-S483 PolarHBondContact OG-N 2.97Å; S480-S483 PolarHBondContact OG-OG 3.47Å; S480-A484 PolarHBondContact O-N 3.49Å
481P76.5Confident76.6Confident72 Ų7237.5 Ų37.547%0.46822%0.215SC..Hα-helixtrans-56.2-31.9177.2-24.631.6000113.3M475 S485M475-P481 HydrophobicContact CE-CB 3.88Å; M475-P481 HydrophobicContact CE-CG 3.94Å; P481-S485 VanDerWaalsContact O-CB 3.31Å; P481-S485 WeakPolarHBondContact O-CB 3.23Å; P481-S485 PolarHBondContact O-N 2.85Å; P481-S485 PolarHBondContact O-OG 3.23Å
482E81.2Confident77Confident123 Ų12337.2 Ų37.258%0.57521%0.214SC*.Hα-helixtrans-65.1-45.4175.4-166.2-168.8154.100111.4S480 S485 K486S480-E482 PolarHBondContact O-N 3.47Å; S480-E482 VanDerWaalsContact O-N 3.15Å; E482-S485 WeakPolarHBondContact O-CB 3.45Å; E482-S485 PolarHBondContact O-N 3.33Å; E482-K486 VanDerWaalsContact O-CG 3.25Å; E482-K486 WeakPolarHBondContact O-CG 3.47Å; E482-K486 PolarHBondContact O-N 2.92Å; E482-K486 WeakPolarHBondContact OE1-CE 3.49Å; E482-K486 IonicContact OE1-NZ 3.48Å; E482-K486 PolarHBondContact OE1-NZ 3.45Å
483S79.9Confident77.6Confident19 Ų1937.5 Ų37.513%0.13322%0.216CC..Hα-helixtrans-65.7-41.2177.8-56.20000111.4S480 S485 K486 M487S480-S483 PolarHBondContact O-N 2.92Å; S480-S483 WeakPolarHBondContact OG-CB 3.39Å; S480-S483 PolarHBondContact OG-N 2.97Å; S480-S483 PolarHBondContact OG-OG 3.47Å; S483-S485 VanDerWaalsContact C-N 3.34Å; S483-S485 PolarHBondContact O-N 2.92Å; S483-K486 WeakPolarHBondContact O-CB 3.49Å; S483-K486 PolarHBondContact O-N 3.44Å; S483-M487 WeakPolarHBondContact O-CG 3.24Å; S483-M487 PolarHBondContact O-N 2.81Å
484A79.1Confident78Confident0 Ų035.4 Ų35.40%021%0.207CC..Hα-helixtrans-58.6-46.4173.900000111.6A98 M475 L479 S480 K486 M487 L488A98-A484 HydrophobicContact CB-CB 4.45Å; M475-A484 HydrophobicContact CG-CB 3.72Å; M475-A484 HydrophobicContact SD-CB 3.58Å; M475-A484 VanDerWaalsContact SD-CB 3.58Å; L479-A484 HydrophobicContact CD2-CB 3.84Å; L479-A484 HydrophobicContact CG-CB 4.41Å; S480-A484 PolarHBondContact O-N 3.49Å; A484-K486 VanDerWaalsContact C-N 3.34Å; A484-K486 PolarHBondContact O-N 3.29Å; A484-M487 PolarHBondContact O-N 3.26Å; A484-L488 WeakPolarHBondContact O-CB 3.35Å; A484-L488 WeakPolarHBondContact O-CD1 3.29Å; A484-L488 VanDerWaalsContact O-CG 3.31Å; A484-L488 WeakPolarHBondContact O-CG 3.41Å; A484-L488 PolarHBondContact O-N 3.21Å
485S83.7Confident77.8Confident21 Ų2138 Ų3815%0.14723%0.225CC..Hα-helixtrans-58.6-42.6177-62.40000112.2C96 A98 P481 E482 S483 L488 L489C96-S485 WeakPolarHBondContact O-CB 3.18Å; A98-S485 PolarHBondContact N-OG 3.33Å; P481-S485 VanDerWaalsContact O-CB 3.31Å; P481-S485 WeakPolarHBondContact O-CB 3.23Å; P481-S485 PolarHBondContact O-N 2.85Å; P481-S485 PolarHBondContact O-OG 3.23Å; E482-S485 WeakPolarHBondContact O-CB 3.45Å; E482-S485 PolarHBondContact O-N 3.33Å; S483-S485 VanDerWaalsContact C-N 3.34Å; S483-S485 PolarHBondContact O-N 2.92Å; S485-L488 PolarHBondContact O-N 3.31Å; S485-L489 WeakPolarHBondContact O-CB 3.46Å; S485-L489 PolarHBondContact O-N 2.86Å
486K84.4Confident77.4Confident41 Ų4137.5 Ų37.518%0.17822%0.222CC..Hα-helixtrans-62.5-44.6175-67.4172175.5173.80111.9C39 E482 S483 A484 L489 M490C39-K486 HydrophobicContact CB-CD 3.8Å; E482-K486 VanDerWaalsContact O-CG 3.25Å; E482-K486 WeakPolarHBondContact O-CG 3.47Å; E482-K486 PolarHBondContact O-N 2.92Å; E482-K486 WeakPolarHBondContact OE1-CE 3.49Å; E482-K486 IonicContact OE1-NZ 3.48Å; E482-K486 PolarHBondContact OE1-NZ 3.45Å; S483-K486 WeakPolarHBondContact O-CB 3.49Å; S483-K486 PolarHBondContact O-N 3.44Å; A484-K486 VanDerWaalsContact C-N 3.34Å; A484-K486 PolarHBondContact O-N 3.29Å; K486-L489 PolarHBondContact O-N 2.82Å; K486-M490 WeakPolarHBondContact O-CG 3.35Å; K486-M490 PolarHBondContact O-N 3.18Å; K486-M490 VanDerWaalsContact O-N 3.12Å
487M81.6Confident76.8Confident11 Ų1134.4 Ų34.45%0.05421%0.213CC..Hα-helixtrans-65.1-41.3178.5-69.4175.872.200112.7F7 L471 L479 S483 A484 M490 K491F7-M487 HydrophobicContact CD2-CE 4.41Å; F7-M487 HydrophobicContact CE1-CE 4.43Å; F7-M487 HydrophobicContact CE2-CE 3.45Å; F7-M487 VanDerWaalsContact CE2-CE 3.45Å; F7-M487 HydrophobicContact CE2-SD 3.49Å; F7-M487 WeakPolarHBondContact CE2-SD 3.29Å; F7-M487 HydrophobicContact CZ-CE 3.46Å; F7-M487 VanDerWaalsContact CZ-CE 3.46Å; F7-M487 HydrophobicContact CZ-SD 3.7Å; L471-M487 HydrophobicContact CD1-CB 4.44Å; L471-M487 HydrophobicContact CD2-CB 4.48Å; L471-M487 HydrophobicContact CD2-CE 3.88Å; L471-M487 HydrophobicContact CD2-SD 4.29Å; L479-M487 HydrophobicContact CD2-SD 4.16Å; S483-M487 WeakPolarHBondContact O-CG 3.24Å; S483-M487 PolarHBondContact O-N 2.81Å; A484-M487 PolarHBondContact O-N 3.26Å; M487-M490 HydrophobicContact CB-CE 4.41Å; M487-M490 HydrophobicContact CG-CE 4.08Å; M487-M490 PolarHBondContact O-N 3.29Å; M487-K491 WeakPolarHBondContact O-CB 3.47Å; M487-K491 PolarHBondContact O-N 2.96Å
488L80.7Confident75.7Confident3 Ų336.8 Ų36.82%0.01622%0.219CC..Hα-helixtrans-60.1-46.2174.5-76156000111.9L75 C96 A98 S468 L471 A484 S485 M490 K491 A492L75-L488 HydrophobicContact CD1-CD2 4.35Å; L75-L488 HydrophobicContact CD2-CD1 3.24Å; L75-L488 HydrophobicContact CD2-CD2 4.24Å; L75-L488 HydrophobicContact CD2-CG 4.32Å; C96-L488 HydrophobicContact CB-CB 4.07Å; A98-L488 HydrophobicContact CB-CD1 4.35Å; S468-L488 VanDerWaalsContact CB-CD2 3.48Å; L471-L488 HydrophobicContact CD1-CD1 4.39Å; L471-L488 HydrophobicContact CD1-CD2 3.61Å; L471-L488 HydrophobicContact CD1-CG 3.54Å; A484-L488 WeakPolarHBondContact O-CB 3.35Å; A484-L488 WeakPolarHBondContact O-CD1 3.29Å; A484-L488 VanDerWaalsContact O-CG 3.31Å; A484-L488 WeakPolarHBondContact O-CG 3.41Å; A484-L488 PolarHBondContact O-N 3.21Å; S485-L488 PolarHBondContact O-N 3.31Å; L488-M490 VanDerWaalsContact C-N 3.32Å; L488-M490 PolarHBondContact O-N 2.96Å; L488-K491 PolarHBondContact O-N 3.48Å; L488-A492 WeakPolarHBondContact O-CB 3.38Å; L488-A492 PolarHBondContact O-N 3.24Å
489L84.4Confident74.3Confident9 Ų937.1 Ų37.15%0.04721%0.211CC..Hα-helixtrans-59.4-43.5177.9-175.664.1000111.7M46 M93 S485 K486 N493M46-L489 HydrophobicContact CE-CB 4.04Å; M46-L489 HydrophobicContact CE-CD2 3.52Å; M46-L489 HydrophobicContact CE-CG 3.51Å; M46-L489 HydrophobicContact SD-CG 4.22Å; M93-L489 HydrophobicContact CB-CD1 4.02Å; M93-L489 HydrophobicContact CG-CD1 3.75Å; M93-L489 WeakPolarHBondContact O-CD1 3.42Å; S485-L489 WeakPolarHBondContact O-CB 3.46Å; S485-L489 PolarHBondContact O-N 2.86Å; K486-L489 PolarHBondContact O-N 2.82Å; L489-N493 PolarHBondContact O-N 2.96Å; L489-N493 PolarHBondContact O-ND2 3.26Å
490M83.3Confident72.2Confident0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-61.2-52.1175.2-72.4-176.3-71.500111.5L38 I42 M46 K486 M487 L488 A492 N493 F494L38-M490 HydrophobicContact CB-CE 3.94Å; L38-M490 HydrophobicContact CD2-CE 4.06Å; L38-M490 HydrophobicContact CD2-SD 4.32Å; I42-M490 HydrophobicContact CB-SD 3.98Å; I42-M490 HydrophobicContact CG2-CG 4.47Å; I42-M490 HydrophobicContact CG2-SD 3.46Å; I42-M490 WeakPolarHBondContact CG2-SD 3.49Å; M46-M490 HydrophobicContact CE-CB 4.43Å; M46-M490 HydrophobicContact CE-CG 3.52Å; M46-M490 VanDerWaalsContact SD-CA 3.5Å; M46-M490 HydrophobicContact SD-CB 4.17Å; M46-M490 HydrophobicContact SD-CG 3.68Å; K486-M490 WeakPolarHBondContact O-CG 3.35Å; K486-M490 PolarHBondContact O-N 3.18Å; K486-M490 VanDerWaalsContact O-N 3.12Å; M487-M490 HydrophobicContact CB-CE 4.41Å; M487-M490 HydrophobicContact CG-CE 4.08Å; M487-M490 PolarHBondContact O-N 3.29Å; L488-M490 VanDerWaalsContact C-N 3.32Å; L488-M490 PolarHBondContact O-N 2.96Å; M490-A492 VanDerWaalsContact C-N 3.3Å; M490-A492 PolarHBondContact O-N 2.85Å; M490-N493 PolarHBondContact O-N 3.28Å; M490-F494 HydrophobicContact CB-CD2 4.38Å; M490-F494 HydrophobicContact CB-CE2 4.38Å; M490-F494 WeakPolarHBondContact O-CD2 3.11Å; M490-F494 PolarHBondContact O-N 3.47Å
491K80.4Confident69.7Low13 Ų1346 Ų466%0.05725%0.25CC..Hα-helixtrans-58.6-42.3-179-178.5176178.8171.80112.6N4 L464 K467 S468 H470 M487 L488 S495N4-K491 WeakPolarHBondContact OD1-CE 3.17Å; L464-K491 HydrophobicContact CD1-CG 4.39Å; K467-K491 PolarHBondContact O-NZ 3.11Å; S468-K491 WeakPolarHBondContact OG-CD 3.46Å; S468-K491 VanDerWaalsContact OG-CE 3.3Å; S468-K491 WeakPolarHBondContact OG-CE 3.32Å; S468-K491 PolarHBondContact OG-NZ 2.87Å; H470-K491 PolarHBondContact CE1-NZ 3.42Å; M487-K491 WeakPolarHBondContact O-CB 3.47Å; M487-K491 PolarHBondContact O-N 2.96Å; L488-K491 PolarHBondContact O-N 3.48Å; K491-S495 PolarHBondContact O-N 2.97Å; K491-S495 PolarHBondContact O-OG 2.87Å
492A79.4Confident67.2Low0 Ų052.6 Ų52.60%028%0.281CS..Hα-helixtrans-59.9-49.9177.800000111.4M93 L464 L488 M490 S495 F496M93-A492 HydrophobicContact CB-CB 3.67Å; M93-A492 HydrophobicContact CE-CB 4.02Å; M93-A492 HydrophobicContact CG-CB 3.75Å; L464-A492 HydrophobicContact CD1-CB 4Å; L464-A492 HydrophobicContact CD2-CB 3.92Å; L488-A492 WeakPolarHBondContact O-CB 3.38Å; L488-A492 PolarHBondContact O-N 3.24Å; M490-A492 VanDerWaalsContact C-N 3.3Å; M490-A492 PolarHBondContact O-N 2.85Å; A492-S495 PolarHBondContact O-N 3.26Å; A492-S495 PolarHBondContact O-OG 2.78Å; A492-F496 WeakPolarHBondContact O-CD2 3.06Å; A492-F496 PolarHBondContact O-N 3.06Å
493N82.6Confident66.5Low15 Ų1549.1 Ų49.18%0.0827%0.267CS..Hα-helixtrans-69-36.5-179.2-73.3-56.7000113.3M46 M93 L489 M490 S495 F496 S497M46-N493 HydrophobicContact SD-CB 4.3Å; M93-N493 PolarHBondContact N-OD1 2.99Å; M93-N493 PolarHBondContact O-ND2 2.94Å; M93-N493 PolarHBondContact O-OD1 3.35Å; L489-N493 PolarHBondContact O-N 2.96Å; L489-N493 PolarHBondContact O-ND2 3.26Å; M490-N493 PolarHBondContact O-N 3.28Å; N493-S495 VanDerWaalsContact C-N 3.27Å; N493-S495 PolarHBondContact O-N 3.39Å; N493-F496 PolarHBondContact O-N 3.02Å; N493-S497 PolarHBondContact O-N 2.66Å; N493-S497 VanDerWaalsContact O-N 3.13Å; N493-S497 PolarHBondContact O-OG 2.67Å
494F76.6Confident65.7Low86 Ų8650.7 Ų50.738%0.37727%0.274SS..Hα-helixtrans-63.2-33.4172.1-81.7-65.7000112.8M1 L3 M490 N498M1-F494 HydrophobicContact CE-CE2 4.17Å; M1-F494 HydrophobicContact CE-CZ 4.16Å; M1-F494 HydrophobicContact SD-CD2 4.39Å; M1-F494 HydrophobicContact SD-CE1 4.32Å; M1-F494 HydrophobicContact SD-CE2 3.87Å; M1-F494 HydrophobicContact SD-CZ 3.83Å; L3-F494 HydrophobicContact CD1-CD2 3.54Å; L3-F494 HydrophobicContact CD1-CE2 3.88Å; L3-F494 HydrophobicContact CD1-CG 4.36Å; M490-F494 HydrophobicContact CB-CD2 4.38Å; M490-F494 HydrophobicContact CB-CE2 4.38Å; M490-F494 WeakPolarHBondContact O-CD2 3.11Å; M490-F494 PolarHBondContact O-N 3.47Å; F494-N498 PolarHBondContact O-N 3.38Å
495S66.2Low65Low55 Ų5553.5 Ų53.539%0.38529%0.289SS..Hα-helixtrans-69.2-37.8177.169.90000112.3K491 A492 N493 N498 S499K491-S495 PolarHBondContact O-N 2.97Å; K491-S495 PolarHBondContact O-OG 2.87Å; A492-S495 PolarHBondContact O-N 3.26Å; A492-S495 PolarHBondContact O-OG 2.78Å; N493-S495 VanDerWaalsContact C-N 3.27Å; N493-S495 PolarHBondContact O-N 3.39Å; S495-N498 PolarHBondContact O-N 2.96Å; S495-S499 PolarHBondContact O-N 3.45Å; S495-S499 VanDerWaalsContact O-N 3.09Å; S495-S499 PolarHBondContact O-OG 3.19Å
496F62.8Low63.9Low29 Ų2955.4 Ų55.413%0.12730%0.297CS..Hα-helixtrans-65.6-45.3175.7-69.7-56.9000112R91 M93 V459 A492 N493 N498 S499 E500R91-F496 HydrophobicContact CB-CD1 4.36Å; M93-F496 HydrophobicContact CB-CE2 4.25Å; M93-F496 HydrophobicContact CE-CE2 4.08Å; M93-F496 HydrophobicContact CE-CZ 4.41Å; V459-F496 HydrophobicContact CG1-CE1 4.08Å; V459-F496 HydrophobicContact CG1-CZ 3.87Å; A492-F496 WeakPolarHBondContact O-CD2 3.06Å; A492-F496 PolarHBondContact O-N 3.06Å; N493-F496 PolarHBondContact O-N 3.02Å; F496-N498 VanDerWaalsContact C-N 3.25Å; F496-N498 PolarHBondContact O-N 3.44Å; F496-S499 WeakPolarHBondContact CA-OG 3.14Å; F496-S499 PolarHBondContact O-N 2.87Å; F496-S499 PolarHBondContact O-OG 2.94Å; F496-E500 PolarHBondContact O-N 3.06Å
497S56Low62.6Low54 Ų5456.3 Ų56.338%0.37831%0.305SS..Hα-helixtrans-62.3-30.7178.4-54.50000113.5N493 I501N493-S497 PolarHBondContact O-N 2.66Å; N493-S497 VanDerWaalsContact O-N 3.13Å; N493-S497 PolarHBondContact O-OG 2.67Å; S497-I501 VanDerWaalsContact O-CD1 3.27Å; S497-I501 WeakPolarHBondContact O-CD1 3.41Å; S497-I501 WeakPolarHBondContact O-CG1 3.22Å
498N44.7Very low61.4Low101 Ų10159.3 Ų59.354%0.5432%0.321SS..Hα-helixtrans-84.8-24177.6-75.1-19.8000113.3F494 S495 F496 E500F494-N498 PolarHBondContact O-N 3.38Å; S495-N498 PolarHBondContact O-N 2.96Å; F496-N498 VanDerWaalsContact C-N 3.25Å; F496-N498 PolarHBondContact O-N 3.44Å; N498-E500 VanDerWaalsContact C-N 3.34Å
499S42.1Very low60Low69 Ų6963.4 Ų63.448%0.48334%0.343SS..Hα-helixtrans-76.3-20.8173.852.50000113.4S495 F496 I501S495-S499 PolarHBondContact O-N 3.45Å; S495-S499 VanDerWaalsContact O-N 3.09Å; S495-S499 PolarHBondContact O-OG 3.19Å; F496-S499 WeakPolarHBondContact CA-OG 3.14Å; F496-S499 PolarHBondContact O-N 2.87Å; F496-S499 PolarHBondContact O-OG 2.94Å; S499-I501 VanDerWaalsContact C-N 3.27Å
500E31.8Very low58.1Low115 Ų11567.5 Ų67.554%0.53737%0.366SS..THydrogen-bonded Turntrans-80.8-7174-70.5174.3-179.900113F496 N498F496-E500 PolarHBondContact O-N 3.06Å; N498-E500 VanDerWaalsContact C-N 3.34Å
501I25.6Very low56Low130 Ų13073.2 Ų73.267%0.66740%0.397SS*.  trans-104.1-5.4-176.3-63.7171.9000112.7S497 S499S497-I501 VanDerWaalsContact O-CD1 3.27Å; S497-I501 WeakPolarHBondContact O-CD1 3.41Å; S497-I501 WeakPolarHBondContact O-CG1 3.22Å; S499-I501 VanDerWaalsContact C-N 3.27Å
502N23.7Very low53.8Low211 Ų21178.6 Ų78.6100%1.12843%0.427SS*.  trans-114.80179.7-75.8-33.7000113.4

Retrieved 502 of 502 residues in 173.1 ms (Link to these results)

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