A0A3Q0KKM7_SCHMA Loading...

Putative xp-G/rad2 DNA repair endonuclease family

AlphaFold DB , UniProt , Accession A0A3Q0KKM7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,058 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
1M72.4Confident87Confident146 Ų14651.4 Ų51.472%0.71926%0.256SS*.  0149.30-54.5-58.6-72.700106.7R88 D699 S700M1-R88 VanDerWaalsContact CE-CZ 3.45Å; M1-R88 VanDerWaalsContact CE-NH1 3.34Å; M1-D699 VanDerWaalsContact CB-CG 3.42Å; M1-D699 VanDerWaalsContact CB-OD1 3.23Å; M1-D699 WeakPolarHBondContact CB-OD1 3.25Å; M1-D699 WeakPolarHBondContact CB-OD2 3.5Å; M1-S700 PolarHBondContact O-OG 3.31Å; M1-S700 VanDerWaalsContact O-OG 3.05Å
2G85.3Confident86.9Confident10 Ų1049.4 Ų49.410%0.10325%0.25CS..  trans57.7-155.1-169.400000113.6D699 D701 D758G2-D699 PolarHBondContact N-OD1 2.98Å; G2-D701 VanDerWaalsContact CA-CG 3.45Å; G2-D701 WeakPolarHBondContact CA-OD1 3.16Å; G2-D758 PolarHBondContact N-OD1 3.32Å
3V89.7Confident87Confident2 Ų245.6 Ų45.61%0.01223%0.231CC..SBendtrans-52114.7-177.4-167.30000114.3G5 L6 S700 D701 L751 T752 C755 G756V3-G5 PolarHBondContact O-N 2.69Å; V3-L6 HydrophobicContact CB-CB 3.86Å; V3-L6 HydrophobicContact CB-CD2 3.9Å; V3-L6 HydrophobicContact CG1-CB 3.93Å; V3-L6 HydrophobicContact CG1-CD2 4.25Å; V3-L6 HydrophobicContact CG2-CD2 4.09Å; V3-L6 PolarHBondContact O-N 3.18Å; V3-S700 PolarHBondContact N-OG 2.91Å; V3-S700 PolarHBondContact O-OG 3.38Å; V3-D701 WeakPolarHBondContact CG2-OD1 3.27Å; V3-D701 PolarHBondContact N-OD1 3.08Å; V3-L751 HydrophobicContact CG1-CD2 3.57Å; V3-T752 HydrophobicContact CG2-CG2 3.88Å; V3-T752 WeakPolarHBondContact CG2-OG1 3.45Å; V3-C755 HydrophobicContact CG1-CB 4.11Å; V3-G756 WeakPolarHBondContact CA-O 3.17Å
4P88.1Confident87.2Confident67 Ų6747.4 Ų47.444%0.43523%0.233SC..THydrogen-bonded Turntrans-67126.8-173.526-32.2000112L6 C755 G756 P768P4-L6 PolarHBondContact O-N 3.45Å; P4-C755 WeakPolarHBondContact CD-O 3.18Å; P4-C755 HydrophobicContact CG-CB 4.2Å; P4-C755 WeakPolarHBondContact CG-O 3.24Å; P4-G756 WeakPolarHBondContact CD-O 3.38Å; P4-P768 WeakPolarHBondContact O-CD 3.14Å
5G87.5Confident87.4Confident32 Ų3248.1 Ų48.133%0.3324%0.236SC..THydrogen-bonded Turntrans75.20.7177.900000115.7V3 W7 R8 L9V3-G5 PolarHBondContact O-N 2.69Å; G5-W7 VanDerWaalsContact C-N 3.33Å; G5-W7 PolarHBondContact O-N 2.94Å; G5-R8 WeakPolarHBondContact O-CB 3.32Å; G5-R8 PolarHBondContact O-N 3.38Å; G5-L9 PolarHBondContact O-N 2.68Å; G5-L9 VanDerWaalsContact O-N 3.15Å
6L90.4Very high87.4Confident1 Ų149.4 Ų49.41%0.00525%0.249CC..Hα-helixtrans-58.4-43.5179.1-179.254.7000111.7V3 P4 R8 L9 L10 W703 L751V3-L6 HydrophobicContact CB-CB 3.86Å; V3-L6 HydrophobicContact CB-CD2 3.9Å; V3-L6 HydrophobicContact CG1-CB 3.93Å; V3-L6 HydrophobicContact CG1-CD2 4.25Å; V3-L6 HydrophobicContact CG2-CD2 4.09Å; V3-L6 PolarHBondContact O-N 3.18Å; P4-L6 PolarHBondContact O-N 3.45Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.15Å; L6-L9 HydrophobicContact CD1-CD2 4.09Å; L6-L9 WeakPolarHBondContact O-CB 3.34Å; L6-L9 PolarHBondContact O-N 3.27Å; L6-L10 HydrophobicContact CD1-CD1 4.11Å; L6-L10 HydrophobicContact CD1-CG 4.1Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.83Å; L6-W703 HydrophobicContact CD2-CB 3.9Å; L6-W703 HydrophobicContact CD2-CG 4.13Å; L6-L751 HydrophobicContact CD1-CD2 4.42Å
7W90.4Very high87.4Confident27 Ų2747.4 Ų47.410%0.10224%0.239CC..Hα-helixtrans-59.7-37.9174.1-75128.3000113.9G5 L9 L10 E11 D698 D699 W703 V710 R712 Y732G5-W7 VanDerWaalsContact C-N 3.33Å; G5-W7 PolarHBondContact O-N 2.94Å; W7-L9 VanDerWaalsContact C-N 3.26Å; W7-L9 PolarHBondContact O-N 3.04Å; W7-L10 HydrophobicContact CE3-CB 4.48Å; W7-L10 HydrophobicContact CE3-CD1 4.15Å; W7-L10 HydrophobicContact CZ3-CD1 4.27Å; W7-L10 PolarHBondContact O-N 2.69Å; W7-E11 PolarHBondContact O-N 2.84Å; W7-E11 VanDerWaalsContact O-N 3.12Å; W7-D698 PolarHBondContact NE1-O 3.43Å; W7-D699 VanDerWaalsContact CZ2-O 3.3Å; W7-D699 WeakPolarHBondContact CZ2-O 3.17Å; W7-W703 HydrophobicContact CH2-CZ2 4.45Å; W7-W703 AromaticContact CH2-NE1 3.38Å; W7-W703 AromaticContact CZ2-NE1 3.94Å; W7-W703 HydrophobicContact CZ3-CZ2 4.21Å; W7-W703 AromaticContact CZ3-NE1 3.5Å; W7-V710 HydrophobicContact CH2-CG1 3.93Å; W7-V710 HydrophobicContact CH2-CG2 4.27Å; W7-V710 HydrophobicContact CZ3-CG1 4.49Å; W7-R712 HydrophobicContact CH2-CB 4.38Å; W7-R712 HydrophobicContact CZ2-CG 4.36Å; W7-Y732 HydrophobicContact CE3-CE1 4.32Å; W7-Y732 HydrophobicContact CE3-CE2 4.12Å; W7-Y732 AromaticContact CE3-CZ 3.98Å; W7-Y732 HydrophobicContact CH2-CD2 4.25Å; W7-Y732 HydrophobicContact CH2-CE2 4.36Å; W7-Y732 HydrophobicContact CZ3-CD1 4.25Å; W7-Y732 AromaticContact CZ3-CD2 3.63Å; W7-Y732 HydrophobicContact CZ3-CD2 3.63Å; W7-Y732 HydrophobicContact CZ3-CE1 4.2Å; W7-Y732 AromaticContact CZ3-CE2 3.59Å; W7-Y732 HydrophobicContact CZ3-CE2 3.59Å; W7-Y732 AromaticContact CZ3-CG 3.97Å; W7-Y732 HydrophobicContact CZ3-CG 3.97Å; W7-Y732 AromaticContact CZ3-CZ 3.87Å
8R88.5Confident87.2Confident225 Ų22550.8 Ų50.885%0.84925%0.254SS*.Hα-helixtrans-66.3-28.8176.1-68.7-177.2175.3175.7-2.4112.1G5 L6G5-R8 WeakPolarHBondContact O-CB 3.32Å; G5-R8 PolarHBondContact O-N 3.38Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.15Å
9L87.5Confident86.9Confident10 Ų1048.8 Ų48.85%0.05224%0.244CC..Hα-helixtrans-75-36.4174172.667.4000112.2G5 L6 W7 P12 L741 L743 L751 P768 I772 V968G5-L9 PolarHBondContact O-N 2.68Å; G5-L9 VanDerWaalsContact O-N 3.15Å; L6-L9 HydrophobicContact CD1-CD2 4.09Å; L6-L9 WeakPolarHBondContact O-CB 3.34Å; L6-L9 PolarHBondContact O-N 3.27Å; W7-L9 VanDerWaalsContact C-N 3.26Å; W7-L9 PolarHBondContact O-N 3.04Å; L9-P12 WeakPolarHBondContact O-CD 3.17Å; L9-L741 WeakPolarHBondContact O-CD1 3.39Å; L9-L743 HydrophobicContact CD2-CD1 3.78Å; L9-L743 HydrophobicContact CG-CD1 4.3Å; L9-L751 HydrophobicContact CD2-CD1 3.92Å; L9-P768 HydrophobicContact CD2-CB 4.29Å; L9-I772 HydrophobicContact CD1-CD1 3.5Å; L9-I772 VanDerWaalsContact CD1-CD1 3.5Å; L9-I772 HydrophobicContact CD2-CD1 3.66Å; L9-I772 HydrophobicContact CG-CD1 4.21Å; L9-V968 HydrophobicContact CD1-CG1 3.51Å
10L89.7Confident86.6Confident0 Ų050.4 Ų50.40%025%0.251CS..Hα-helixtrans-82.4-12-177.4-64178.4000114.4L6 W7 P12 V13 W703 Y732 V737 L741L6-L10 HydrophobicContact CD1-CD1 4.11Å; L6-L10 HydrophobicContact CD1-CG 4.1Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.41Å; L6-L10 WeakPolarHBondContact O-CG 3.44Å; L6-L10 PolarHBondContact O-N 2.83Å; W7-L10 HydrophobicContact CE3-CB 4.48Å; W7-L10 HydrophobicContact CE3-CD1 4.15Å; W7-L10 HydrophobicContact CZ3-CD1 4.27Å; W7-L10 PolarHBondContact O-N 2.69Å; L10-P12 VanDerWaalsContact C-N 3.32Å; L10-P12 WeakPolarHBondContact O-CD 3.22Å; L10-P12 VanDerWaalsContact O-N 3.08Å; L10-V13 WeakPolarHBondContact O-CA 3.48Å; L10-V13 VanDerWaalsContact O-CB 3.31Å; L10-V13 WeakPolarHBondContact O-CB 3.37Å; L10-V13 PolarHBondContact O-N 2.75Å; L10-W703 HydrophobicContact CD1-CD2 3.98Å; L10-W703 HydrophobicContact CD1-CG 4.27Å; L10-W703 HydrophobicContact CD1-CZ2 3.68Å; L10-W703 VanDerWaalsContact CD1-NE1 3.33Å; L10-Y732 HydrophobicContact CB-CD1 4.23Å; L10-Y732 HydrophobicContact CB-CE1 4.15Å; L10-Y732 WeakPolarHBondContact O-CE1 3.48Å; L10-V737 HydrophobicContact CD2-CB 4.49Å; L10-V737 HydrophobicContact CD2-CG1 3.77Å; L10-V737 HydrophobicContact CD2-CG2 3.84Å; L10-L741 HydrophobicContact CD2-CD1 3.75Å
11E87.7Confident86.5Confident45 Ų4553.1 Ų53.121%0.2126%0.263CS..G310 helixtrans-47.3-35.8-178.4-15962.6-167.900116.5W7 V13 R14 R712 Y732W7-E11 PolarHBondContact O-N 2.84Å; W7-E11 VanDerWaalsContact O-N 3.12Å; E11-V13 PolarHBondContact O-N 2.91Å; E11-R14 WeakPolarHBondContact O-CB 3.39Å; E11-R14 PolarHBondContact O-N 3.41Å; E11-R14 VanDerWaalsContact O-N 3.13Å; E11-R14 WeakPolarHBondContact OE1-CD 3.42Å; E11-R14 IonicContact OE1-CZ 3.95Å; E11-R14 IonicContact OE1-NE 3.74Å; E11-R14 IonicContact OE1-NH1 4Å; E11-R14 PolarHBondContact OE1-NH1 3.46Å; E11-R712 IonicContact OE2-NH1 2.87Å; E11-Y732 PolarHBondContact OE2-OH 3.07Å
12P85.9Confident87.1Confident28 Ų2846.2 Ų46.218%0.18223%0.229CC..G310 helixtrans-72.2-10.1176.8-8.723.1000114.7L9 L10 K740 P964L9-P12 WeakPolarHBondContact O-CD 3.17Å; L10-P12 VanDerWaalsContact C-N 3.32Å; L10-P12 WeakPolarHBondContact O-CD 3.22Å; L10-P12 VanDerWaalsContact O-N 3.08Å; P12-K740 VanDerWaalsContact O-CD 3.31Å; P12-K740 WeakPolarHBondContact O-CD 3.49Å; P12-K740 VanDerWaalsContact O-CE 3.3Å; P12-K740 WeakPolarHBondContact O-CE 3.24Å; P12-K740 PolarHBondContact O-NZ 2.82Å; P12-P964 HydrophobicContact CB-CG 4.34Å; P12-P964 HydrophobicContact CG-CG 3.27Å
13V88.3Confident87.2Confident0 Ų048.1 Ų48.10%024%0.24CC..G310 helixtrans-94.1-10.5175.71740000111.1L10 E11 E15 Y732 E736 V737 K740 L741L10-V13 WeakPolarHBondContact O-CA 3.48Å; L10-V13 VanDerWaalsContact O-CB 3.31Å; L10-V13 WeakPolarHBondContact O-CB 3.37Å; L10-V13 PolarHBondContact O-N 2.75Å; E11-V13 PolarHBondContact O-N 2.91Å; V13-E15 PolarHBondContact O-N 3.43Å; V13-Y732 HydrophobicContact CB-CD1 4.34Å; V13-Y732 HydrophobicContact CG1-CD1 4.33Å; V13-E736 HydrophobicContact CB-CG 4.4Å; V13-E736 HydrophobicContact CG1-CB 3.84Å; V13-E736 HydrophobicContact CG1-CG 3.61Å; V13-V737 HydrophobicContact CB-CG2 4.22Å; V13-V737 HydrophobicContact CG1-CB 4.5Å; V13-V737 HydrophobicContact CG1-CG2 3.57Å; V13-V737 HydrophobicContact CG2-CG2 4.2Å; V13-K740 HydrophobicContact CG2-CB 3.96Å; V13-K740 HydrophobicContact CG2-CD 3.86Å; V13-L741 HydrophobicContact CG2-CD1 3.87Å; V13-L741 HydrophobicContact CG2-CG 4.06Å
14R89.5Confident87.1Confident71 Ų7150.1 Ų50.127%0.26826%0.262SS..  trans-58.5126179.3-170.3178.4170.6-161.2-12111.4E11 T727 S730 Y732E11-R14 WeakPolarHBondContact O-CB 3.39Å; E11-R14 PolarHBondContact O-N 3.41Å; E11-R14 VanDerWaalsContact O-N 3.13Å; E11-R14 WeakPolarHBondContact OE1-CD 3.42Å; E11-R14 IonicContact OE1-CZ 3.95Å; E11-R14 IonicContact OE1-NE 3.74Å; E11-R14 IonicContact OE1-NH1 4Å; E11-R14 PolarHBondContact OE1-NH1 3.46Å; R14-T727 VanDerWaalsContact NH2-CG2 3.34Å; R14-S730 PolarHBondContact NE-OG 3.4Å; R14-S730 PolarHBondContact NH2-OG 3.23Å; R14-Y732 HydrophobicContact CB-CD1 4.35Å; R14-Y732 HydrophobicContact CB-CE1 3.6Å; R14-Y732 HydrophobicContact CG-CE1 4.09Å; R14-Y732 HydrophobicContact CG-CE2 4.29Å
15E89.7Confident87.3Confident57 Ų5751 Ų5127%0.26626%0.259SS..EExtended strand (participates in β ladder)trans-108.7107.7166.4-68.3176.3-162.300108.2V13 S730 I731 K733V13-E15 PolarHBondContact O-N 3.43Å; E15-S730 CarbonylContact O-C 3.54Å; E15-S730 WeakPolarHBondContact O-CA 3.5Å; E15-I731 PolarHBondContact N-O 2.87Å; E15-I731 PolarHBondContact O-N 3.01Å; E15-K733 IonicContact OE1-NZ 3.26Å; E15-K733 PolarHBondContact OE1-NZ 3.15Å; E15-K733 IonicContact OE2-NZ 3.05Å; E15-K733 PolarHBondContact OE2-NZ 3.33Å
16P88.3Confident87.6Confident69 Ų6951.3 Ų51.345%0.44825%0.252SS..EExtended strand (participates in β ladder)trans-66.2137.3171.828.8-33000109.5
17I86.3Confident87.9Confident16 Ų1651.2 Ų51.28%0.08225%0.252CS..  trans-132161.6-178.256.8146.7000111.6Q21 L22 P729 I731I17-Q21 VanDerWaalsContact CB-OE1 3.27Å; I17-L22 HydrophobicContact CD1-CD1 3.83Å; I17-L22 HydrophobicContact CD1-CD2 3.82Å; I17-L22 HydrophobicContact CD1-CG 3.77Å; I17-P729 HydrophobicContact CD1-CB 4.35Å; I17-P729 HydrophobicContact CD1-CG 4.48Å; I17-P729 HydrophobicContact CG1-CB 4.16Å; I17-P729 HydrophobicContact CG1-CG 4.19Å; I17-P729 VanDerWaalsContact CG1-O 3.24Å; I17-P729 WeakPolarHBondContact CG1-O 3.01Å; I17-P729 PolarHBondContact N-O 3.31Å; I17-P729 WeakPolarHBondContact O-CG 3.48Å; I17-I731 HydrophobicContact CD1-CD1 3.73Å; I17-I731 HydrophobicContact CD1-CG1 3.72Å; I17-I731 HydrophobicContact CG1-CD1 4.39Å; I17-I731 HydrophobicContact CG1-CG1 4.08Å; I17-I731 HydrophobicContact CG2-CB 4.38Å; I17-I731 HydrophobicContact CG2-CD1 4.13Å; I17-I731 HydrophobicContact CG2-CG1 4.22Å
18E84.2Confident88.1Confident108 Ų10850 Ų5051%0.50525%0.247SC..  trans-95.6150.3167.6-65-167171.200111.3Q20 Q21E18-Q20 PolarHBondContact O-N 3.14Å; E18-Q20 PolarHBondContact OE2-NE2 3.43Å; E18-Q20 VanDerWaalsContact OE2-NE2 3.09Å; E18-Q21 HydrophobicContact CB-CG 4.38Å; E18-Q21 WeakPolarHBondContact O-CB 3.46Å; E18-Q21 PolarHBondContact O-N 3.5Å
19L80.8Confident88.5Confident13 Ų1339.2 Ų39.27%0.06821%0.207CC..G310 helixtrans-61.8-28.2177.9-71.5172.9000113.3Q21 L22 K61 F65 I67 L714 F715 P729L19-Q21 PolarHBondContact O-N 2.77Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 WeakPolarHBondContact O-CB 3.23Å; L19-L22 PolarHBondContact O-N 2.79Å; L19-K61 HydrophobicContact CD1-CD 4.49Å; L19-F65 HydrophobicContact CB-CD1 4.23Å; L19-F65 HydrophobicContact CB-CD2 3.78Å; L19-F65 HydrophobicContact CB-CE1 4.25Å; L19-F65 HydrophobicContact CB-CE2 3.82Å; L19-F65 HydrophobicContact CB-CG 4.02Å; L19-F65 HydrophobicContact CB-CZ 4.06Å; L19-F65 HydrophobicContact CD1-CD2 3.98Å; L19-F65 HydrophobicContact CD1-CE2 3.57Å; L19-F65 HydrophobicContact CD1-CZ 4.25Å; L19-F65 HydrophobicContact CG-CD2 4.48Å; L19-F65 HydrophobicContact CG-CE2 4.35Å; L19-I67 HydrophobicContact CD2-CD1 4.3Å; L19-L714 HydrophobicContact CD2-CD1 3.66Å; L19-L714 WeakPolarHBondContact CD2-O 3.48Å; L19-F715 HydrophobicContact CD1-CD1 4.13Å; L19-F715 HydrophobicContact CD1-CE1 4.01Å; L19-P729 HydrophobicContact CD2-CB 4.48Å; L19-P729 HydrophobicContact CD2-CG 3.9Å; L19-P729 HydrophobicContact CG-CG 4.04Å
20Q81Confident88.8Confident80 Ų8039 Ų3937%0.37421%0.206SC..G310 helixtrans-58.3-32.8173.7-63.986.4-65.500111.8E18 L22 S23 F65E18-Q20 PolarHBondContact O-N 3.14Å; E18-Q20 PolarHBondContact OE2-NE2 3.43Å; E18-Q20 VanDerWaalsContact OE2-NE2 3.09Å; Q20-L22 PolarHBondContact O-N 3.13Å; Q20-S23 VanDerWaalsContact O-CB 3.29Å; Q20-S23 WeakPolarHBondContact O-CB 3.39Å; Q20-S23 PolarHBondContact O-N 2.97Å; Q20-F65 HydrophobicContact CG-CD1 4.09Å; Q20-F65 HydrophobicContact CG-CE1 3.9Å
21Q84.5Confident88.9Confident108 Ų10839.1 Ų39.151%0.50521%0.206SC..G310 helixtrans-76-7.1178.7-59.6173.6-23.400113.4I17 E18 L19 K25I17-Q21 VanDerWaalsContact CB-OE1 3.27Å; E18-Q21 HydrophobicContact CB-CG 4.38Å; E18-Q21 WeakPolarHBondContact O-CB 3.46Å; E18-Q21 PolarHBondContact O-N 3.5Å; L19-Q21 PolarHBondContact O-N 2.77Å; Q21-K25 PolarHBondContact O-NZ 2.8Å
22L86.2Confident89Confident1 Ų139.8 Ų39.81%0.00521%0.211CC..G310 helixtrans-98.3-2.1172-60.2-177.1000113.1I17 L19 Q20 G24 K25 I67 L694 L714 I731I17-L22 HydrophobicContact CD1-CD1 3.83Å; I17-L22 HydrophobicContact CD1-CD2 3.82Å; I17-L22 HydrophobicContact CD1-CG 3.77Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 WeakPolarHBondContact O-CB 3.23Å; L19-L22 PolarHBondContact O-N 2.79Å; Q20-L22 PolarHBondContact O-N 3.13Å; L22-G24 PolarHBondContact O-N 3.06Å; L22-K25 HydrophobicContact CD2-CD 4.21Å; L22-K25 PolarHBondContact O-N 2.88Å; L22-I67 HydrophobicContact CB-CD1 3.93Å; L22-I67 HydrophobicContact CB-CG1 3.99Å; L22-L694 HydrophobicContact CD1-CD2 4.15Å; L22-L694 HydrophobicContact CD2-CD2 3.57Å; L22-L714 HydrophobicContact CD1-CD1 3.52Å; L22-I731 HydrophobicContact CD2-CD1 4.23Å
23S87.2Confident89.1Confident50 Ų5039.8 Ų39.835%0.3521%0.21SC..THydrogen-bonded Turntrans-56.8133.3178-161.10000111.3Q20 K25 F65Q20-S23 VanDerWaalsContact O-CB 3.29Å; Q20-S23 WeakPolarHBondContact O-CB 3.39Å; Q20-S23 PolarHBondContact O-N 2.97Å; S23-K25 PolarHBondContact O-N 3.35Å; S23-F65 VanDerWaalsContact CB-O 3.24Å; S23-F65 WeakPolarHBondContact CB-O 3.5Å; S23-F65 PolarHBondContact OG-O 3.37Å
24G87.6Confident89.1Confident45 Ų4540.4 Ų40.446%0.46421%0.212SC..THydrogen-bonded Turntrans78.7-18.1-178.400000116.2L22 G66L22-G24 PolarHBondContact O-N 3.06Å; G24-G66 PolarHBondContact N-O 3.36Å
25K91.8Very high89Confident84 Ų8437.1 Ų37.137%0.36520%0.199SC..  trans-75.5148.1179-65.7179.3-176.6152.50111.9Q21 L22 S23 K68 D693Q21-K25 PolarHBondContact O-NZ 2.8Å; L22-K25 HydrophobicContact CD2-CD 4.21Å; L22-K25 PolarHBondContact O-N 2.88Å; S23-K25 PolarHBondContact O-N 3.35Å; K25-K68 WeakPolarHBondContact O-CB 3.4Å; K25-K68 PolarHBondContact O-N 3.45Å; K25-D693 WeakPolarHBondContact CA-OD2 3.43Å; K25-D693 HydrophobicContact CB-CB 4.48Å
26I95Very high88.8Confident39 Ų3938 Ų3820%0.220%0.203CC..EExtended strand (participates in β ladder)trans-88.6124.5174.8-54.4169.9000108.8K68 V70 V692 D693 L694 W879I26-K68 WeakPolarHBondContact CA-O 3.45Å; I26-K68 HydrophobicContact CG1-CB 4.27Å; I26-K68 HydrophobicContact CG1-CD 4.2Å; I26-V70 HydrophobicContact CG2-CG2 3.87Å; I26-V692 HydrophobicContact CG2-CB 4.36Å; I26-V692 HydrophobicContact CG2-CG2 3.98Å; I26-D693 PolarHBondContact N-OD2 2.75Å; I26-D693 WeakPolarHBondContact O-CB 3.44Å; I26-D693 PolarHBondContact O-N 2.91Å; I26-L694 PolarHBondContact O-N 2.96Å; I26-W879 HydrophobicContact CB-CH2 4.49Å; I26-W879 HydrophobicContact CD1-CH2 3.82Å; I26-W879 HydrophobicContact CD1-CZ3 4.45Å; I26-W879 HydrophobicContact CG1-CH2 3.77Å; I26-W879 HydrophobicContact CG1-CZ2 4.33Å; I26-W879 HydrophobicContact CG2-CH2 3.93Å; I26-W879 HydrophobicContact CG2-CZ2 3.91Å
27V95.3Very high88.6Confident0 Ų037.2 Ų37.20%019%0.194CC..EExtended strand (participates in β ladder)trans-126.2117.6-173.7-172.50000110.4I29 I67 K68 P69 V70 L694 A696 L714V27-I29 HydrophobicContact CG1-CG1 4.11Å; V27-I67 HydrophobicContact CB-CG2 4.33Å; V27-I67 HydrophobicContact CG2-CG2 3.69Å; V27-K68 PolarHBondContact N-O 2.86Å; V27-P69 CarbonylContact O-C 3.54Å; V27-P69 WeakPolarHBondContact O-CA 3.38Å; V27-V70 PolarHBondContact O-N 2.87Å; V27-L694 CarbonylContact C-O 3.47Å; V27-L694 VanDerWaalsContact CA-O 3.31Å; V27-L694 WeakPolarHBondContact CA-O 3.46Å; V27-L694 HydrophobicContact CG1-CB 4.43Å; V27-L694 HydrophobicContact CG1-CD2 4.2Å; V27-L694 HydrophobicContact CG1-CG 4.29Å; V27-L694 HydrophobicContact CG2-CB 4.31Å; V27-L694 HydrophobicContact CG2-CD2 4.07Å; V27-A696 HydrophobicContact CG1-CB 3.63Å; V27-L714 HydrophobicContact CG1-CD2 4.44Å
28A96.1Very high88.5Confident0 Ų036.7 Ų36.70%019%0.192CC..EExtended strand (participates in β ladder)trans-76.4127.3168.700000109.1V70 V72 C683 V692 L694 A696A28-V70 CarbonylContact C-O 3.55Å; A28-V70 VanDerWaalsContact CA-O 3.32Å; A28-V70 WeakPolarHBondContact CA-O 3.37Å; A28-V72 HydrophobicContact CB-CG2 4.5Å; A28-C683 HydrophobicContact CB-CB 3.97Å; A28-V692 HydrophobicContact CB-CB 4.46Å; A28-V692 HydrophobicContact CB-CG1 3.71Å; A28-V692 HydrophobicContact CB-CG2 4.13Å; A28-V692 VanDerWaalsContact N-CG1 3.26Å; A28-L694 PolarHBondContact N-O 2.88Å; A28-A696 PolarHBondContact O-N 3.13Å
29I95.2Very high88.4Confident0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-117.5123.6-177-58.5179.1000109.1V27 M31 W34 L62 P69 V70 F71 V72 A696 L714V27-I29 HydrophobicContact CG1-CG1 4.11Å; I29-M31 PolarHBondContact O-N 3.06Å; I29-M31 VanDerWaalsContact O-N 3.17Å; I29-W34 HydrophobicContact CD1-CH2 3.88Å; I29-W34 HydrophobicContact CD1-CZ2 4.17Å; I29-W34 HydrophobicContact CD1-CZ3 4.46Å; I29-W34 HydrophobicContact CG2-CD2 3.74Å; I29-W34 VanDerWaalsContact CG2-CE2 3.47Å; I29-W34 HydrophobicContact CG2-CE3 4.21Å; I29-W34 HydrophobicContact CG2-CG 4.13Å; I29-W34 HydrophobicContact CG2-CH2 4.15Å; I29-W34 HydrophobicContact CG2-CZ2 3.74Å; I29-W34 HydrophobicContact CG2-CZ3 4.38Å; I29-L62 HydrophobicContact CD1-CD1 3.79Å; I29-L62 HydrophobicContact CD1-CD2 4.36Å; I29-P69 HydrophobicContact CD1-CB 3.65Å; I29-P69 HydrophobicContact CG1-CB 4.46Å; I29-V70 PolarHBondContact N-O 3.07Å; I29-F71 HydrophobicContact CB-CD1 4.02Å; I29-F71 HydrophobicContact CB-CE1 4.14Å; I29-F71 HydrophobicContact CD1-CE1 3.88Å; I29-F71 HydrophobicContact CD1-CZ 4.07Å; I29-F71 HydrophobicContact CG2-CD1 4.13Å; I29-F71 HydrophobicContact CG2-CE1 4.06Å; I29-V72 PolarHBondContact O-N 3.35Å; I29-A696 HydrophobicContact CG1-CB 4.22Å; I29-L714 HydrophobicContact CD1-CD2 4.18Å; I29-L714 HydrophobicContact CG1-CD2 4.49Å
30D94.5Very high88.4Confident6 Ų636 Ų363%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-65.4111.6167.5-176.9-42.2000109.6N32 I33 W34 A696D30-N32 PolarHBondContact OD1-N 3.13Å; D30-I33 HydrophobicContact CB-CD1 4Å; D30-I33 HydrophobicContact CB-CG1 4.42Å; D30-I33 VanDerWaalsContact CG-CD1 3.48Å; D30-I33 WeakPolarHBondContact OD1-CG1 3.38Å; D30-I33 PolarHBondContact OD1-N 3.01Å; D30-I33 VanDerWaalsContact OD2-CD1 3.24Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.39Å; D30-W34 VanDerWaalsContact O-CD1 3.29Å; D30-A696 PolarHBondContact N-O 3.17Å
31M92.9Very high87.8Confident1 Ų133.9 Ų33.91%0.00518%0.182CC..Hα-helixtrans-82.5-24.5-175.5-169.156.1-14200112.9I29 W34 L35 F55 F71 V72 F73 A661I29-M31 PolarHBondContact O-N 3.06Å; I29-M31 VanDerWaalsContact O-N 3.17Å; M31-W34 HydrophobicContact CE-CB 4.4Å; M31-W34 PolarHBondContact O-N 2.94Å; M31-W34 HydrophobicContact SD-CB 4.28Å; M31-L35 HydrophobicContact CE-CB 4.04Å; M31-L35 HydrophobicContact CE-CD1 4.43Å; M31-L35 VanDerWaalsContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CB 3.35Å; M31-L35 PolarHBondContact O-N 3.31Å; M31-F55 HydrophobicContact CE-CD1 4.34Å; M31-F55 HydrophobicContact CE-CD2 3.87Å; M31-F55 HydrophobicContact CE-CE1 3.94Å; M31-F55 HydrophobicContact CE-CE2 3.41Å; M31-F55 VanDerWaalsContact CE-CE2 3.41Å; M31-F55 HydrophobicContact CE-CG 4.32Å; M31-F55 HydrophobicContact CE-CZ 3.43Å; M31-F55 VanDerWaalsContact CE-CZ 3.43Å; M31-F55 HydrophobicContact SD-CD2 4.49Å; M31-F55 HydrophobicContact SD-CE2 3.57Å; M31-F55 VanDerWaalsContact SD-CE2 3.57Å; M31-F55 HydrophobicContact SD-CZ 3.65Å; M31-F71 HydrophobicContact CG-CD1 4.48Å; M31-F71 HydrophobicContact SD-CD1 3.69Å; M31-F71 HydrophobicContact SD-CE1 4.14Å; M31-V72 WeakPolarHBondContact CB-O 3.47Å; M31-V72 PolarHBondContact N-O 2.7Å; M31-F73 HydrophobicContact CB-CD1 4.06Å; M31-F73 HydrophobicContact CB-CE1 4.07Å; M31-F73 HydrophobicContact CB-CG 4.32Å; M31-F73 HydrophobicContact CB-CZ 4.32Å; M31-F73 HydrophobicContact CG-CD1 3.88Å; M31-F73 HydrophobicContact CG-CE1 3.38Å; M31-F73 HydrophobicContact CG-CE2 4.2Å; M31-F73 HydrophobicContact CG-CG 4.48Å; M31-F73 HydrophobicContact CG-CZ 3.57Å; M31-A661 HydrophobicContact CE-CB 4.14Å
32N89.6Confident86.6Confident59 Ų5933.7 Ų33.732%0.31618%0.176SC..Hα-helixtrans-73.8-42.9-178.7-170.922000111.1D30 W34 L35 H36 D74 T653D30-N32 PolarHBondContact OD1-N 3.13Å; N32-W34 VanDerWaalsContact C-N 3.27Å; N32-W34 PolarHBondContact O-N 3.18Å; N32-L35 PolarHBondContact O-N 3.25Å; N32-H36 VanDerWaalsContact O-CB 3.24Å; N32-H36 WeakPolarHBondContact O-CB 3.39Å; N32-H36 PolarHBondContact O-N 3.47Å; N32-D74 WeakPolarHBondContact CB-OD2 3.37Å; N32-D74 PolarHBondContact ND2-OD2 3.15Å; N32-T653 PolarHBondContact OD1-OG1 3.39Å
33I87.7Confident84.9Confident29 Ų2935.6 Ų35.615%0.14920%0.196CC..Hα-helixtrans-58.1-43.7171.8-63.6170.5000110.2D30 Q37 S697 D698 D699D30-I33 HydrophobicContact CB-CD1 4Å; D30-I33 HydrophobicContact CB-CG1 4.42Å; D30-I33 VanDerWaalsContact CG-CD1 3.48Å; D30-I33 WeakPolarHBondContact OD1-CG1 3.38Å; D30-I33 PolarHBondContact OD1-N 3.01Å; D30-I33 VanDerWaalsContact OD2-CD1 3.24Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.39Å; I33-Q37 HydrophobicContact CG2-CG 4.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 VanDerWaalsContact O-CG 3.25Å; I33-Q37 WeakPolarHBondContact O-CG 3.44Å; I33-Q37 PolarHBondContact O-N 3.11Å; I33-S697 WeakPolarHBondContact CD1-OG 3.48Å; I33-D698 HydrophobicContact CG2-CB 4.36Å; I33-D699 HydrophobicContact CD1-CB 3.76Å
34W87.1Confident83.1Confident13 Ų1334.8 Ų34.85%0.04919%0.193CC..Hα-helixtrans-64.9-43.6179.3-87.544.4000113.3I29 D30 M31 N32 Q37 A38 F55 R58 L62 F71 L714 F715I29-W34 HydrophobicContact CD1-CH2 3.88Å; I29-W34 HydrophobicContact CD1-CZ2 4.17Å; I29-W34 HydrophobicContact CD1-CZ3 4.46Å; I29-W34 HydrophobicContact CG2-CD2 3.74Å; I29-W34 VanDerWaalsContact CG2-CE2 3.47Å; I29-W34 HydrophobicContact CG2-CE3 4.21Å; I29-W34 HydrophobicContact CG2-CG 4.13Å; I29-W34 HydrophobicContact CG2-CH2 4.15Å; I29-W34 HydrophobicContact CG2-CZ2 3.74Å; I29-W34 HydrophobicContact CG2-CZ3 4.38Å; D30-W34 VanDerWaalsContact O-CD1 3.29Å; M31-W34 HydrophobicContact CE-CB 4.4Å; M31-W34 PolarHBondContact O-N 2.94Å; M31-W34 HydrophobicContact SD-CB 4.28Å; N32-W34 VanDerWaalsContact C-N 3.27Å; N32-W34 PolarHBondContact O-N 3.18Å; W34-Q37 PolarHBondContact O-N 3.08Å; W34-A38 WeakPolarHBondContact O-CB 3.35Å; W34-A38 PolarHBondContact O-N 3.14Å; W34-F55 HydrophobicContact CE3-CE2 4.42Å; W34-R58 HydrophobicContact CE3-CB 4.44Å; W34-R58 HydrophobicContact CZ3-CB 3.9Å; W34-R58 HydrophobicContact CZ3-CG 4.49Å; W34-L62 HydrophobicContact CH2-CD1 4.1Å; W34-L62 HydrophobicContact CH2-CD2 4.44Å; W34-L62 HydrophobicContact CZ3-CD1 4.25Å; W34-F71 HydrophobicContact CE3-CE1 4.33Å; W34-F71 HydrophobicContact CZ3-CE1 4.16Å; W34-L714 HydrophobicContact CH2-CD2 4.37Å; W34-L714 HydrophobicContact CZ2-CB 4.26Å; W34-L714 HydrophobicContact CZ2-CD2 3.95Å; W34-L714 HydrophobicContact CZ2-CG 4.35Å; W34-F715 AromaticContact CH2-CD2 3.43Å; W34-F715 HydrophobicContact CH2-CD2 3.43Å; W34-F715 VanDerWaalsContact CH2-CD2 3.43Å; W34-F715 AromaticContact CH2-CE2 3.24Å; W34-F715 HydrophobicContact CH2-CE2 3.24Å; W34-F715 HydrophobicContact CH2-CZ 4.36Å; W34-F715 AromaticContact CZ2-CD2 3.83Å; W34-F715 HydrophobicContact CZ2-CD2 3.83Å; W34-F715 HydrophobicContact CZ2-CE2 4.06Å; W34-F715 HydrophobicContact CZ3-CD2 4.03Å; W34-F715 AromaticContact CZ3-CE2 3.8Å; W34-F715 HydrophobicContact CZ3-CE2 3.8Å
35L88.6Confident81.2Confident1 Ų135.7 Ų35.71%0.00520%0.196CC..Hα-helixtrans-68.3-42.5178.9-166.448.9000110.8M31 N32 A38 V39 Y51 T653 C657 I658M31-L35 HydrophobicContact CE-CB 4.04Å; M31-L35 HydrophobicContact CE-CD1 4.43Å; M31-L35 VanDerWaalsContact O-CB 3.29Å; M31-L35 WeakPolarHBondContact O-CB 3.35Å; M31-L35 PolarHBondContact O-N 3.31Å; N32-L35 PolarHBondContact O-N 3.25Å; L35-A38 PolarHBondContact O-N 2.78Å; L35-V39 HydrophobicContact CD1-CG2 4.48Å; L35-V39 WeakPolarHBondContact O-CB 3.27Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.13Å; L35-V39 PolarHBondContact O-N 3.19Å; L35-Y51 HydrophobicContact CD1-CD2 3.71Å; L35-Y51 HydrophobicContact CD1-CE2 4.28Å; L35-Y51 HydrophobicContact CD1-CG 4.43Å; L35-T653 HydrophobicContact CB-CG2 4.39Å; L35-T653 HydrophobicContact CD2-CG2 3.51Å; L35-T653 HydrophobicContact CG-CG2 3.87Å; L35-C657 HydrophobicContact CD1-CB 4.17Å; L35-C657 HydrophobicContact CD2-CB 3.87Å; L35-C657 HydrophobicContact CG-CB 4.18Å; L35-I658 HydrophobicContact CD2-CG1 3.87Å
36H85.8Confident79.3Confident76 Ų7632.7 Ų32.735%0.35219%0.189SC..Hα-helixtrans-62.5-43.8175.1-177-92.9000111.9N32 A38 V39 K40N32-H36 VanDerWaalsContact O-CB 3.24Å; N32-H36 WeakPolarHBondContact O-CB 3.39Å; N32-H36 PolarHBondContact O-N 3.47Å; H36-A38 PolarHBondContact O-N 3.13Å; H36-V39 PolarHBondContact O-N 3.12Å; H36-K40 WeakPolarHBondContact O-CB 3.44Å; H36-K40 PolarHBondContact O-N 2.71Å
37Q83.7Confident77.9Confident53 Ų5332.8 Ų32.825%0.24820%0.199CC..Hα-helixtrans-56.5-49.3171.3-77.9177.37.800111.3I33 W34 K40 S41 D698I33-Q37 HydrophobicContact CG2-CG 4.45Å; I33-Q37 WeakPolarHBondContact O-CB 3.44Å; I33-Q37 VanDerWaalsContact O-CG 3.25Å; I33-Q37 WeakPolarHBondContact O-CG 3.44Å; I33-Q37 PolarHBondContact O-N 3.11Å; W34-Q37 PolarHBondContact O-N 3.08Å; Q37-K40 PolarHBondContact O-N 2.75Å; Q37-S41 VanDerWaalsContact O-CB 3.27Å; Q37-S41 WeakPolarHBondContact O-CB 3.22Å; Q37-S41 PolarHBondContact O-N 3.1Å; Q37-S41 PolarHBondContact O-OG 3.03Å; Q37-D698 PolarHBondContact NE2-OD2 3.11Å
38A83.3Confident76.7Confident4 Ų437.6 Ų37.63%0.03323%0.23CC..Hα-helixtrans-68.5-32.5-176.600000113.8W34 L35 H36 S41 I54W34-A38 WeakPolarHBondContact O-CB 3.35Å; W34-A38 PolarHBondContact O-N 3.14Å; L35-A38 PolarHBondContact O-N 2.78Å; H36-A38 PolarHBondContact O-N 3.13Å; A38-S41 WeakPolarHBondContact CA-OG 3.25Å; A38-S41 PolarHBondContact O-OG 3Å; A38-I54 HydrophobicContact CB-CB 4.26Å; A38-I54 HydrophobicContact CB-CG2 4.08Å
39V83.8Confident75.9Confident16 Ų1640.9 Ų40.910%0.09724%0.243CC..Hα-helixtrans-71.2-49.9172.7170.30000110L35 H36 S41 R42 Y51 Q651L35-V39 HydrophobicContact CD1-CG2 4.48Å; L35-V39 WeakPolarHBondContact O-CB 3.27Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.13Å; L35-V39 PolarHBondContact O-N 3.19Å; H36-V39 PolarHBondContact O-N 3.12Å; V39-S41 VanDerWaalsContact C-N 3.29Å; V39-S41 PolarHBondContact O-N 3.44Å; V39-R42 PolarHBondContact O-N 3.23Å; V39-Y51 HydrophobicContact CG2-CD1 4.05Å; V39-Y51 HydrophobicContact CG2-CG 3.94Å; V39-Q651 HydrophobicContact CG1-CB 4.13Å; V39-Q651 PolarHBondContact O-OE1 3.24Å
40K78.9Confident75.2Confident91 Ų9142.7 Ų42.740%0.39625%0.252SS..Hα-helixtrans-64.2-31.9-179.3-177.8167.2-176179.20113H36 Q37 R42 R648H36-K40 WeakPolarHBondContact O-CB 3.44Å; H36-K40 PolarHBondContact O-N 2.71Å; Q37-K40 PolarHBondContact O-N 2.75Å; K40-R42 PolarHBondContact O-N 2.89Å; K40-R648 WeakPolarHBondContact CE-O 3.17Å; K40-R648 HydrophobicContact CG-CB 4.25Å; K40-R648 WeakPolarHBondContact CG-O 3.42Å
41S70Confident74.8Confident36 Ų3643.1 Ų43.125%0.25225%0.254SS..  trans-76.141.2174.965.40000113.1Q37 A38 V39 G43 I54Q37-S41 VanDerWaalsContact O-CB 3.27Å; Q37-S41 WeakPolarHBondContact O-CB 3.22Å; Q37-S41 PolarHBondContact O-N 3.1Å; Q37-S41 PolarHBondContact O-OG 3.03Å; A38-S41 WeakPolarHBondContact CA-OG 3.25Å; A38-S41 PolarHBondContact O-OG 3Å; V39-S41 VanDerWaalsContact C-N 3.29Å; V39-S41 PolarHBondContact O-N 3.44Å; S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 2.85Å; S41-I54 WeakPolarHBondContact OG-CD1 3.33Å
42R58.8Low74.5Confident103 Ų10343.2 Ų43.239%0.38925%0.254SS..  trans-62.299.1164.3-80.1-153.9-172.8-170.25.7109.2V39 K40 R648V39-R42 PolarHBondContact O-N 3.23Å; K40-R42 PolarHBondContact O-N 2.89Å; R42-R648 PolarHBondContact O-NE 3.12Å; R42-R648 PolarHBondContact O-NH2 3.3Å
43G50.5Low74.3Confident41 Ų4141.2 Ų41.242%0.42324%0.244SC..  trans-59.5140.1147.800000108.7S41 A45S41-G43 VanDerWaalsContact C-N 3.35Å; S41-G43 PolarHBondContact O-N 2.85Å; G43-A45 PolarHBondContact O-N 3.24Å
44A48.4Very low74.2Confident33 Ų3341.9 Ų41.927%0.27325%0.248SC..THydrogen-bonded Turntrans-43.7-49.8178.700000113.2G46 Q147 D149A44-G46 PolarHBondContact O-N 3.38Å; A44-Q147 HydrophobicContact CB-CB 3.97Å; A44-Q147 VanDerWaalsContact CB-CD 3.5Å; A44-Q147 HydrophobicContact CB-CG 4.28Å; A44-D149 WeakPolarHBondContact CB-OD1 3.4Å
45A47.5Very low74.2Confident65 Ų6541.4 Ų41.454%0.53725%0.246SC..THydrogen-bonded Turntrans-70.823.9-168.600000117.5G43 D149G43-A45 PolarHBondContact O-N 3.24Å; A45-D149 VanDerWaalsContact CA-OD1 3.25Å; A45-D149 WeakPolarHBondContact CA-OD1 3.45Å; A45-D149 VanDerWaalsContact CB-OD1 3.32Å; A45-D149 WeakPolarHBondContact CB-OD1 3.32Å; A45-D149 PolarHBondContact N-OD1 3.04Å; A45-D149 VanDerWaalsContact N-OD1 3.16Å
46G52.2Low74.2Confident21 Ų2141.4 Ų41.422%0.21625%0.246CC..  trans-161.9157.7173.400000118.6A44 N50A44-G46 PolarHBondContact O-N 3.38Å; G46-N50 VanDerWaalsContact C-ND2 3.27Å; G46-N50 WeakPolarHBondContact CA-ND2 3.44Å; G46-N50 WeakPolarHBondContact CA-OD1 3.36Å; G46-N50 PolarHBondContact N-ND2 3.05Å; G46-N50 PolarHBondContact O-ND2 3.11Å
47G66.5Low74.2Confident40 Ų4043 Ų4341%0.41225%0.249SC..  trans-70.7-174.7-162.100000115.3R49 N50G47-R49 PolarHBondContact O-N 3.07Å; G47-N50 PolarHBondContact N-OD1 3.24Å; G47-N50 WeakPolarHBondContact O-CB 3.26Å; G47-N50 PolarHBondContact O-N 2.85Å
48P69.8Low74.5Confident101 Ų10142 Ų4266%0.65624%0.243SC*.THydrogen-bonded Turntrans-59.1-18.2-173.123.2-34.2000114.7Y51P48-Y51 VanDerWaalsContact O-CE1 3.25Å; P48-Y51 WeakPolarHBondContact O-CE1 3.34Å
49R80.1Confident74.8Confident70 Ų7041.8 Ų41.826%0.26424%0.241SC..THydrogen-bonded Turntrans-97.811178.7-73.2-178.5169.6142.9-1.7115.3G47 Y51 L52 E660 L894 L895G47-R49 PolarHBondContact O-N 3.07Å; R49-Y51 PolarHBondContact O-N 3.23Å; R49-L52 HydrophobicContact CB-CD1 4.35Å; R49-L52 HydrophobicContact CG-CD1 4.44Å; R49-L52 WeakPolarHBondContact O-CB 3.49Å; R49-L52 PolarHBondContact O-N 2.98Å; R49-E660 IonicContact CZ-OE1 2.74Å; R49-E660 IonicContact NE-OE1 3.34Å; R49-E660 PolarHBondContact NE-OE1 2.8Å; R49-E660 IonicContact NE-OE2 3.12Å; R49-E660 PolarHBondContact NE-OE2 2.89Å; R49-E660 IonicContact NH2-OE1 3.58Å; R49-E660 PolarHBondContact NH2-OE1 2.68Å; R49-E660 VanDerWaalsContact NH2-OE1 3.15Å; R49-L894 VanDerWaalsContact CD-O 3.3Å; R49-L894 WeakPolarHBondContact CD-O 3.47Å; R49-L894 PolarHBondContact NH1-O 2.91Å; R49-L895 HydrophobicContact CB-CD2 3.81Å
50N80.6Confident75.1Confident37 Ų3741 Ų4120%0.19824%0.237CC..Hα-helixtrans-53-28.5-178.8-9913.3000114.9G46 G47 L52 T53 I54G46-N50 VanDerWaalsContact C-ND2 3.27Å; G46-N50 WeakPolarHBondContact CA-ND2 3.44Å; G46-N50 WeakPolarHBondContact CA-OD1 3.36Å; G46-N50 PolarHBondContact N-ND2 3.05Å; G46-N50 PolarHBondContact O-ND2 3.11Å; G47-N50 PolarHBondContact N-OD1 3.24Å; G47-N50 WeakPolarHBondContact O-CB 3.26Å; G47-N50 PolarHBondContact O-N 2.85Å; N50-L52 PolarHBondContact O-N 2.98Å; N50-T53 WeakPolarHBondContact O-CB 3.42Å; N50-T53 PolarHBondContact O-N 3.44Å; N50-T53 VanDerWaalsContact O-N 3.13Å; N50-I54 PolarHBondContact O-N 3.37Å
51Y84.9Confident75.4Confident15 Ų1538.9 Ų38.96%0.05923%0.227CC..Hα-helixtrans-59-33.7175.262.5-91000112.6L35 V39 P48 R49 I54 F55 C657 E660L35-Y51 HydrophobicContact CD1-CD2 3.71Å; L35-Y51 HydrophobicContact CD1-CE2 4.28Å; L35-Y51 HydrophobicContact CD1-CG 4.43Å; V39-Y51 HydrophobicContact CG2-CD1 4.05Å; V39-Y51 HydrophobicContact CG2-CG 3.94Å; P48-Y51 VanDerWaalsContact O-CE1 3.25Å; P48-Y51 WeakPolarHBondContact O-CE1 3.34Å; R49-Y51 PolarHBondContact O-N 3.23Å; Y51-I54 PolarHBondContact O-N 2.86Å; Y51-F55 VanDerWaalsContact O-CB 3.22Å; Y51-F55 WeakPolarHBondContact O-CB 3.43Å; Y51-F55 PolarHBondContact O-N 3.02Å; Y51-C657 HydrophobicContact CE2-CB 3.85Å; Y51-C657 VanDerWaalsContact CZ-SG 3.55Å; Y51-E660 PolarHBondContact OH-OE2 3.32Å
52L87.8Confident76.3Confident4 Ų437.2 Ų37.22%0.02122%0.215CC..Hα-helixtrans-67.6-37.4175.2-64.3-179.2000112.2R49 N50 I54 F55 F56 E660 L894 L895R49-L52 HydrophobicContact CB-CD1 4.35Å; R49-L52 HydrophobicContact CG-CD1 4.44Å; R49-L52 WeakPolarHBondContact O-CB 3.49Å; R49-L52 PolarHBondContact O-N 2.98Å; N50-L52 PolarHBondContact O-N 2.98Å; L52-I54 VanDerWaalsContact C-N 3.35Å; L52-I54 PolarHBondContact O-N 3.24Å; L52-F55 PolarHBondContact O-N 3.16Å; L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 2.96Å; L52-E660 HydrophobicContact CD1-CB 4.26Å; L52-E660 WeakPolarHBondContact CD1-OE2 3.37Å; L52-E660 HydrophobicContact CD2-CB 4.08Å; L52-L894 HydrophobicContact CD1-CB 4.49Å; L52-L894 HydrophobicContact CD1-CD1 3.67Å; L52-L895 HydrophobicContact CB-CD1 4.41Å; L52-L895 HydrophobicContact CB-CD2 4.37Å
53T85.3Confident77.7Confident17 Ų1732.4 Ų32.410%0.10420%0.197CC..Hα-helixtrans-59.7-46.9173.4-64.30000111N50 R57 W897N50-T53 WeakPolarHBondContact O-CB 3.42Å; N50-T53 PolarHBondContact O-N 3.44Å; N50-T53 VanDerWaalsContact O-N 3.13Å; T53-R57 VanDerWaalsContact O-CG 3.28Å; T53-R57 WeakPolarHBondContact O-CG 3.31Å; T53-R57 PolarHBondContact O-N 3.42Å; T53-R57 VanDerWaalsContact O-N 3.09Å; T53-W897 HydrophobicContact CG2-CH2 4.13Å; T53-W897 HydrophobicContact CG2-CZ2 3.68Å; T53-W897 WeakPolarHBondContact OG1-CZ2 3.36Å
54I84.7Confident79.3Confident42 Ų4231.1 Ų31.122%0.21518%0.18CC..Hα-helixtrans-68-42.6-179.4-63.1176.8000110A38 S41 N50 Y51 L52 R57 R58A38-I54 HydrophobicContact CB-CB 4.26Å; A38-I54 HydrophobicContact CB-CG2 4.08Å; S41-I54 WeakPolarHBondContact OG-CD1 3.33Å; N50-I54 PolarHBondContact O-N 3.37Å; Y51-I54 PolarHBondContact O-N 2.86Å; L52-I54 VanDerWaalsContact C-N 3.35Å; L52-I54 PolarHBondContact O-N 3.24Å; I54-R57 PolarHBondContact O-N 2.9Å; I54-R58 WeakPolarHBondContact O-CG 3.38Å; I54-R58 PolarHBondContact O-N 2.82Å
55F87.8Confident81Confident3 Ų330.6 Ų30.61%0.01317%0.172CC..Hα-helixtrans-63.7-48.4176.9-173.8-139.7000111.8M31 W34 Y51 L52 R57 R58 L59 F71 A661 L664 L665M31-F55 HydrophobicContact CE-CD1 4.34Å; M31-F55 HydrophobicContact CE-CD2 3.87Å; M31-F55 HydrophobicContact CE-CE1 3.94Å; M31-F55 HydrophobicContact CE-CE2 3.41Å; M31-F55 VanDerWaalsContact CE-CE2 3.41Å; M31-F55 HydrophobicContact CE-CG 4.32Å; M31-F55 HydrophobicContact CE-CZ 3.43Å; M31-F55 VanDerWaalsContact CE-CZ 3.43Å; M31-F55 HydrophobicContact SD-CD2 4.49Å; M31-F55 HydrophobicContact SD-CE2 3.57Å; M31-F55 VanDerWaalsContact SD-CE2 3.57Å; M31-F55 HydrophobicContact SD-CZ 3.65Å; W34-F55 HydrophobicContact CE3-CE2 4.42Å; Y51-F55 VanDerWaalsContact O-CB 3.22Å; Y51-F55 WeakPolarHBondContact O-CB 3.43Å; Y51-F55 PolarHBondContact O-N 3.02Å; L52-F55 PolarHBondContact O-N 3.16Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 2.7Å; F55-R58 CarbonylContact O-C 3.6Å; F55-R58 WeakPolarHBondContact O-CA 3.39Å; F55-R58 WeakPolarHBondContact O-CB 3.5Å; F55-R58 PolarHBondContact O-N 3.41Å; F55-L59 HydrophobicContact CD1-CD1 4.24Å; F55-L59 HydrophobicContact CD2-CD1 4.45Å; F55-L59 HydrophobicContact CD2-CD2 4.26Å; F55-L59 HydrophobicContact CD2-CG 4.08Å; F55-L59 HydrophobicContact CE1-CD1 3.94Å; F55-L59 HydrophobicContact CE2-CD1 4.18Å; F55-L59 HydrophobicContact CE2-CD2 3.64Å; F55-L59 HydrophobicContact CE2-CG 3.9Å; F55-L59 HydrophobicContact CG-CD1 4.47Å; F55-L59 HydrophobicContact CG-CG 4.47Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å; F55-L59 HydrophobicContact CZ-CD2 3.94Å; F55-L59 HydrophobicContact CZ-CG 4.15Å; F55-L59 WeakPolarHBondContact O-CG 3.47Å; F55-L59 PolarHBondContact O-N 3.39Å; F55-F71 HydrophobicContact CE2-CE1 4.19Å; F55-A661 HydrophobicContact CD1-CB 4.16Å; F55-A661 HydrophobicContact CE1-CB 3.71Å; F55-A661 HydrophobicContact CZ-CB 4.48Å; F55-L664 HydrophobicContact CD1-CD2 3.63Å; F55-L664 HydrophobicContact CE1-CB 4.37Å; F55-L664 HydrophobicContact CE1-CD2 4.09Å; F55-L664 HydrophobicContact CG-CD2 4.43Å; F55-L665 HydrophobicContact CE1-CD2 4.33Å; F55-L665 HydrophobicContact CE1-CG 4.18Å; F55-L665 HydrophobicContact CE2-CD2 4.47Å; F55-L665 HydrophobicContact CZ-CD1 4.23Å; F55-L665 HydrophobicContact CZ-CD2 3.63Å; F55-L665 HydrophobicContact CZ-CG 3.79Å
56F88.9Confident82.8Confident1 Ų128.4 Ų28.40%0.00416%0.155CC..Hα-helixtrans-53.8-44.2173.8176-91.3000112.5L52 L59 C60 L664 F668 L887 L891 W897 L905 L906L52-F56 WeakPolarHBondContact O-CB 3.44Å; L52-F56 PolarHBondContact O-N 2.96Å; F56-L59 PolarHBondContact O-N 2.78Å; F56-C60 WeakPolarHBondContact CE1-SG 3.42Å; F56-C60 WeakPolarHBondContact CZ-SG 2.94Å; F56-C60 WeakPolarHBondContact O-CB 3.26Å; F56-C60 PolarHBondContact O-N 2.9Å; F56-C60 PolarHBondContact O-SG 3.49Å; F56-L664 HydrophobicContact CB-CD2 4.32Å; F56-F668 AromaticContact CD2-CE2 3.68Å; F56-F668 HydrophobicContact CD2-CE2 3.68Å; F56-F668 AromaticContact CD2-CZ 3.64Å; F56-F668 HydrophobicContact CD2-CZ 3.64Å; F56-F668 AromaticContact CE2-CE2 3.96Å; F56-F668 HydrophobicContact CE2-CE2 3.96Å; F56-F668 AromaticContact CE2-CZ 3.58Å; F56-F668 HydrophobicContact CE2-CZ 3.58Å; F56-F668 HydrophobicContact CZ-CZ 4.5Å; F56-L887 HydrophobicContact CE2-CD1 4.45Å; F56-L887 HydrophobicContact CE2-CD2 4.31Å; F56-L887 HydrophobicContact CE2-CG 4.46Å; F56-L891 HydrophobicContact CD2-CD1 3.66Å; F56-L891 HydrophobicContact CD2-CD2 4.03Å; F56-L891 HydrophobicContact CD2-CG 4.49Å; F56-L891 HydrophobicContact CE2-CD1 3.33Å; F56-L891 HydrophobicContact CG-CD2 4.46Å; F56-L891 HydrophobicContact CZ-CD1 3.98Å; F56-W897 AromaticContact CD1-CH2 3.83Å; F56-W897 HydrophobicContact CD1-CH2 3.83Å; F56-W897 AromaticContact CD1-CZ3 3.63Å; F56-W897 HydrophobicContact CD1-CZ3 3.63Å; F56-W897 HydrophobicContact CE1-CH2 4.31Å; F56-W897 AromaticContact CE1-CZ3 3.7Å; F56-W897 HydrophobicContact CE1-CZ3 3.7Å; F56-W897 HydrophobicContact CG-CH2 4.42Å; F56-W897 HydrophobicContact CG-CZ3 4.25Å; F56-W897 HydrophobicContact CZ-CZ3 4.37Å; F56-L905 HydrophobicContact CE1-CD2 4.11Å; F56-L905 HydrophobicContact CZ-CD2 4.33Å; F56-L906 HydrophobicContact CE2-CD2 4Å; F56-L906 HydrophobicContact CZ-CD2 3.85Å; F56-L906 HydrophobicContact CZ-CG 4.2Å
57R85.8Confident84.7Confident109 Ų10927.7 Ų27.741%0.41115%0.146SC..Hα-helixtrans-62.8-42.3175.5-71.3175.1-177.5176.91.6112T53 I54 F55 K61 F935T53-R57 VanDerWaalsContact O-CG 3.28Å; T53-R57 WeakPolarHBondContact O-CG 3.31Å; T53-R57 PolarHBondContact O-N 3.42Å; T53-R57 VanDerWaalsContact O-N 3.09Å; I54-R57 PolarHBondContact O-N 2.9Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 2.7Å; R57-K61 WeakPolarHBondContact O-CB 3.44Å; R57-K61 PolarHBondContact O-N 2.92Å; R57-F935 HydrophobicContact CB-CE2 4.29Å; R57-F935 HydrophobicContact CB-CZ 4.47Å; R57-F935 HydrophobicContact CG-CD1 4.16Å; R57-F935 HydrophobicContact CG-CD2 4.24Å; R57-F935 HydrophobicContact CG-CE1 3.82Å; R57-F935 HydrophobicContact CG-CE2 3.9Å; R57-F935 HydrophobicContact CG-CG 4.36Å; R57-F935 HydrophobicContact CG-CZ 3.68Å
58R88.8Confident85.9Confident33 Ų3329.9 Ų29.913%0.12515%0.145CC..Hα-helixtrans-61.8-46.9174.3-72.4179178.8-154-2.2111.3W34 I54 F55 K61 L62 F715W34-R58 HydrophobicContact CE3-CB 4.44Å; W34-R58 HydrophobicContact CZ3-CB 3.9Å; W34-R58 HydrophobicContact CZ3-CG 4.49Å; I54-R58 WeakPolarHBondContact O-CG 3.38Å; I54-R58 PolarHBondContact O-N 2.82Å; F55-R58 CarbonylContact O-C 3.6Å; F55-R58 WeakPolarHBondContact O-CA 3.39Å; F55-R58 WeakPolarHBondContact O-CB 3.5Å; F55-R58 PolarHBondContact O-N 3.41Å; R58-K61 WeakPolarHBondContact O-CB 3.22Å; R58-K61 PolarHBondContact O-N 3.08Å; R58-K61 VanDerWaalsContact O-N 3.13Å; R58-L62 PolarHBondContact O-N 3.48Å; R58-F715 HydrophobicContact CB-CD2 3.75Å; R58-F715 HydrophobicContact CB-CE2 3.57Å; R58-F715 HydrophobicContact CG-CD2 3.55Å; R58-F715 HydrophobicContact CG-CE2 3.94Å; R58-F715 HydrophobicContact CG-CG 4.37Å; R58-F715 WeakPolarHBondContact O-CE2 3.35Å; R58-F715 VanDerWaalsContact O-CZ 3.32Å; R58-F715 WeakPolarHBondContact O-CZ 3.27Å
59L90.5Very high87.1Confident0 Ų025.1 Ų25.10%011%0.113CC..Hα-helixtrans-60.2-46.9176.3-66.3-175.5000112.1F55 F56 K61 L62 L63 F71 L664 L665 F668 F670F55-L59 HydrophobicContact CD1-CD1 4.24Å; F55-L59 HydrophobicContact CD2-CD1 4.45Å; F55-L59 HydrophobicContact CD2-CD2 4.26Å; F55-L59 HydrophobicContact CD2-CG 4.08Å; F55-L59 HydrophobicContact CE1-CD1 3.94Å; F55-L59 HydrophobicContact CE2-CD1 4.18Å; F55-L59 HydrophobicContact CE2-CD2 3.64Å; F55-L59 HydrophobicContact CE2-CG 3.9Å; F55-L59 HydrophobicContact CG-CD1 4.47Å; F55-L59 HydrophobicContact CG-CG 4.47Å; F55-L59 HydrophobicContact CZ-CD1 3.93Å; F55-L59 HydrophobicContact CZ-CD2 3.94Å; F55-L59 HydrophobicContact CZ-CG 4.15Å; F55-L59 WeakPolarHBondContact O-CG 3.47Å; F55-L59 PolarHBondContact O-N 3.39Å; F56-L59 PolarHBondContact O-N 2.78Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.28Å; L59-L62 HydrophobicContact CD2-CD1 4.43Å; L59-L62 PolarHBondContact O-N 3.49Å; L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 PolarHBondContact O-N 3.44Å; L59-F71 HydrophobicContact CD2-CE1 4.19Å; L59-F71 HydrophobicContact CD2-CE2 3.94Å; L59-F71 HydrophobicContact CD2-CZ 3.39Å; L59-L664 HydrophobicContact CD1-CD2 3.84Å; L59-L664 HydrophobicContact CD1-CG 3.98Å; L59-L665 HydrophobicContact CD1-CD2 4.11Å; L59-L665 HydrophobicContact CD2-CD2 3.76Å; L59-F668 HydrophobicContact CB-CD1 4.41Å; L59-F668 HydrophobicContact CB-CD2 4.33Å; L59-F668 HydrophobicContact CB-CE1 4.11Å; L59-F668 HydrophobicContact CB-CE2 4.01Å; L59-F668 HydrophobicContact CB-CZ 3.89Å; L59-F668 HydrophobicContact CD1-CD2 3.51Å; L59-F668 HydrophobicContact CD1-CE2 3.66Å; L59-F668 HydrophobicContact CD1-CG 4.14Å; L59-F668 HydrophobicContact CD1-CZ 4.39Å; L59-F668 HydrophobicContact CG-CE2 4.5Å; L59-F670 HydrophobicContact CB-CE2 4.14Å; L59-F670 HydrophobicContact CD2-CD2 3.94Å; L59-F670 HydrophobicContact CD2-CE2 3.88Å; L59-F670 HydrophobicContact CG-CE2 4.44Å
60C88.4Confident87.8Confident0 Ų021.8 Ų21.80%010%0.101CC..Hα-helixtrans-59.6-36174.1-70.10000112.2F56 F64 V909 I931F56-C60 WeakPolarHBondContact CE1-SG 3.42Å; F56-C60 WeakPolarHBondContact CZ-SG 2.94Å; F56-C60 WeakPolarHBondContact O-CB 3.26Å; F56-C60 PolarHBondContact O-N 2.9Å; F56-C60 PolarHBondContact O-SG 3.49Å; C60-F64 WeakPolarHBondContact O-CB 3.3Å; C60-F64 PolarHBondContact O-N 3.09Å; C60-V909 HydrophobicContact CB-CG2 4.4Å; C60-I931 HydrophobicContact CB-CD1 3.87Å
61K85.6Confident88.6Confident46 Ų4620 Ų2020%0.29%0.091CC..Hα-helixtrans-70.8-39.7177.8-167.1173.1168-174.70112.1L19 R57 R58 L59 F64 F65 F715 I931L19-K61 HydrophobicContact CD1-CD 4.49Å; R57-K61 WeakPolarHBondContact O-CB 3.44Å; R57-K61 PolarHBondContact O-N 2.92Å; R58-K61 WeakPolarHBondContact O-CB 3.22Å; R58-K61 PolarHBondContact O-N 3.08Å; R58-K61 VanDerWaalsContact O-N 3.13Å; L59-K61 VanDerWaalsContact C-N 3.25Å; L59-K61 PolarHBondContact O-N 3.28Å; K61-F64 PolarHBondContact O-N 3.39Å; K61-F65 HydrophobicContact CD-CE2 4.48Å; K61-F65 HydrophobicContact CG-CD2 4.04Å; K61-F65 HydrophobicContact CG-CE2 3.74Å; K61-F65 WeakPolarHBondContact O-CD2 3.45Å; K61-F65 PolarHBondContact O-N 3Å; K61-F715 HydrophobicContact CB-CE1 3.84Å; K61-F715 HydrophobicContact CB-CZ 3.8Å; K61-F715 HydrophobicContact CD-CD1 3.6Å; K61-F715 HydrophobicContact CD-CE1 3.43Å; K61-F715 VanDerWaalsContact CD-CE1 3.43Å; K61-F715 HydrophobicContact CD-CZ 4.21Å; K61-F715 HydrophobicContact CG-CD1 4.21Å; K61-F715 HydrophobicContact CG-CE1 3.5Å; K61-F715 HydrophobicContact CG-CZ 4.01Å; K61-I931 HydrophobicContact CB-CG2 4.32Å; K61-I931 HydrophobicContact CG-CG2 4.02Å
62L89.2Confident89.1Confident0 Ų019.3 Ų19.30%09%0.089CC..Hα-helixtrans-59.5-49.3170.9-65.3173.9000111I29 W34 R58 L59 F64 F65 G66 I67 P69 F71 L714 F715I29-L62 HydrophobicContact CD1-CD1 3.79Å; I29-L62 HydrophobicContact CD1-CD2 4.36Å; W34-L62 HydrophobicContact CH2-CD1 4.1Å; W34-L62 HydrophobicContact CH2-CD2 4.44Å; W34-L62 HydrophobicContact CZ3-CD1 4.25Å; R58-L62 PolarHBondContact O-N 3.48Å; L59-L62 HydrophobicContact CD2-CD1 4.43Å; L59-L62 PolarHBondContact O-N 3.49Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.05Å; L62-F65 PolarHBondContact O-N 3.31Å; L62-G66 PolarHBondContact O-N 3.12Å; L62-G66 VanDerWaalsContact O-N 3.17Å; L62-I67 HydrophobicContact CD2-CB 4.33Å; L62-I67 HydrophobicContact CD2-CD1 4.11Å; L62-I67 HydrophobicContact CD2-CG2 4.25Å; L62-I67 PolarHBondContact O-N 3.24Å; L62-I67 VanDerWaalsContact O-N 3.15Å; L62-P69 HydrophobicContact CD1-CB 3.89Å; L62-P69 HydrophobicContact CD1-CG 3.93Å; L62-F71 HydrophobicContact CD1-CZ 3.74Å; L62-L714 HydrophobicContact CD2-CD2 4.24Å; L62-F715 HydrophobicContact CD2-CE1 4.38Å; L62-F715 HydrophobicContact CD2-CE2 3.92Å; L62-F715 HydrophobicContact CD2-CZ 3.47Å; L62-F715 VanDerWaalsContact CD2-CZ 3.47Å; L62-F715 HydrophobicContact CG-CE2 3.89Å; L62-F715 HydrophobicContact CG-CZ 3.6Å
63L87.6Confident89.5Confident2 Ų219.4 Ų19.41%0.019%0.089CC..Hα-helixtrans-60.8-39.9179.6-169.369.2000112.2L59 G66 F668 F670 P882 V909 L910 R913L59-L63 WeakPolarHBondContact O-CB 3.47Å; L59-L63 PolarHBondContact O-N 3.44Å; L63-G66 PolarHBondContact O-N 3.06Å; L63-F668 HydrophobicContact CD2-CD1 4.35Å; L63-F668 HydrophobicContact CD2-CE1 4.2Å; L63-F670 HydrophobicContact CB-CZ 4.32Å; L63-F670 HydrophobicContact CD1-CE1 4.38Å; L63-F670 HydrophobicContact CD1-CZ 4.15Å; L63-P882 HydrophobicContact CD2-CG 4.35Å; L63-V909 HydrophobicContact CB-CG1 3.99Å; L63-V909 HydrophobicContact CD2-CG1 3.73Å; L63-V909 HydrophobicContact CG-CG1 3.88Å; L63-L910 HydrophobicContact CD2-CD2 4.24Å; L63-R913 VanDerWaalsContact CD1-CD 3.46Å; L63-R913 VanDerWaalsContact CD1-NH1 3.34Å
64F84Confident89.9Confident15 Ų1521.3 Ų21.37%0.06610%0.098CC..Hα-helixtrans-64.8-36.3178.3177.4-83.9000113.4C60 K61 L62 V909 S929 I931C60-F64 WeakPolarHBondContact O-CB 3.3Å; C60-F64 PolarHBondContact O-N 3.09Å; K61-F64 PolarHBondContact O-N 3.39Å; L62-F64 VanDerWaalsContact C-N 3.33Å; L62-F64 PolarHBondContact O-N 3.05Å; F64-V909 HydrophobicContact CB-CG1 4.15Å; F64-S929 WeakPolarHBondContact CZ-O 3.45Å; F64-I931 HydrophobicContact CB-CD1 4.48Å; F64-I931 HydrophobicContact CD1-CG2 4.44Å; F64-I931 HydrophobicContact CD2-CB 3.94Å; F64-I931 HydrophobicContact CD2-CD1 4.4Å; F64-I931 HydrophobicContact CE2-CB 4.01Å; F64-I931 HydrophobicContact CG-CB 4.25Å; F64-I931 HydrophobicContact CG-CG2 4.35Å; F64-I931 HydrophobicContact CZ-CB 4.41Å
65F84.4Confident90.2Very high22 Ų2221 Ų2110%0.09611%0.106CC..Hα-helixtrans-86.9-3.9176.2-71.4-65.7000113.3L19 Q20 S23 K61 L62 I67 L930L19-F65 HydrophobicContact CB-CD1 4.23Å; L19-F65 HydrophobicContact CB-CD2 3.78Å; L19-F65 HydrophobicContact CB-CE1 4.25Å; L19-F65 HydrophobicContact CB-CE2 3.82Å; L19-F65 HydrophobicContact CB-CG 4.02Å; L19-F65 HydrophobicContact CB-CZ 4.06Å; L19-F65 HydrophobicContact CD1-CD2 3.98Å; L19-F65 HydrophobicContact CD1-CE2 3.57Å; L19-F65 HydrophobicContact CD1-CZ 4.25Å; L19-F65 HydrophobicContact CG-CD2 4.48Å; L19-F65 HydrophobicContact CG-CE2 4.35Å; Q20-F65 HydrophobicContact CG-CD1 4.09Å; Q20-F65 HydrophobicContact CG-CE1 3.9Å; S23-F65 VanDerWaalsContact CB-O 3.24Å; S23-F65 WeakPolarHBondContact CB-O 3.5Å; S23-F65 PolarHBondContact OG-O 3.37Å; K61-F65 HydrophobicContact CD-CE2 4.48Å; K61-F65 HydrophobicContact CG-CD2 4.04Å; K61-F65 HydrophobicContact CG-CE2 3.74Å; K61-F65 WeakPolarHBondContact O-CD2 3.45Å; K61-F65 PolarHBondContact O-N 3Å; L62-F65 PolarHBondContact O-N 3.31Å; F65-I67 VanDerWaalsContact C-N 3.26Å; F65-I67 HydrophobicContact CB-CD1 4.03Å; F65-I67 HydrophobicContact CB-CG1 3.98Å; F65-I67 PolarHBondContact O-N 3.2Å; F65-L930 HydrophobicContact CZ-CD2 4.48Å
66G86.4Confident90.4Very high18 Ų1828 Ų2819%0.18614%0.138CC..THydrogen-bonded Turntrans66.127.8-176.900000113.3G24 L62 L63G24-G66 PolarHBondContact N-O 3.36Å; L62-G66 PolarHBondContact O-N 3.12Å; L62-G66 VanDerWaalsContact O-N 3.17Å; L63-G66 PolarHBondContact O-N 3.06Å
67I90.9Very high90.5Very high6 Ų630.5 Ų30.53%0.03115%0.154CC..  trans-74.7142.4172.1-59.1170.8000107.7L19 L22 V27 L62 F65 P69L19-I67 HydrophobicContact CD2-CD1 4.3Å; L22-I67 HydrophobicContact CB-CD1 3.93Å; L22-I67 HydrophobicContact CB-CG1 3.99Å; V27-I67 HydrophobicContact CB-CG2 4.33Å; V27-I67 HydrophobicContact CG2-CG2 3.69Å; L62-I67 HydrophobicContact CD2-CB 4.33Å; L62-I67 HydrophobicContact CD2-CD1 4.11Å; L62-I67 HydrophobicContact CD2-CG2 4.25Å; L62-I67 PolarHBondContact O-N 3.24Å; L62-I67 VanDerWaalsContact O-N 3.15Å; F65-I67 VanDerWaalsContact C-N 3.26Å; F65-I67 HydrophobicContact CB-CD1 4.03Å; F65-I67 HydrophobicContact CB-CG1 3.98Å; F65-I67 PolarHBondContact O-N 3.2Å; I67-P69 WeakPolarHBondContact O-CD 3.4Å
68K92.8Very high90.9Very high87 Ų8726 Ų2638%0.37814%0.139SC..EExtended strand (participates in β ladder)trans-102.390.1177.8-70.3-179.3176.9-179.10110.7K25 I26 V27 W879K25-K68 WeakPolarHBondContact O-CB 3.4Å; K25-K68 PolarHBondContact O-N 3.45Å; I26-K68 WeakPolarHBondContact CA-O 3.45Å; I26-K68 HydrophobicContact CG1-CB 4.27Å; I26-K68 HydrophobicContact CG1-CD 4.2Å; V27-K68 PolarHBondContact N-O 2.86Å; K68-W879 HydrophobicContact CB-CD2 4.27Å; K68-W879 HydrophobicContact CB-CH2 4.23Å; K68-W879 HydrophobicContact CB-CZ2 3.73Å; K68-W879 HydrophobicContact CD-CD2 4.31Å; K68-W879 HydrophobicContact CD-CE3 4.02Å; K68-W879 HydrophobicContact CD-CH2 4.18Å; K68-W879 HydrophobicContact CD-CZ2 4.44Å; K68-W879 HydrophobicContact CD-CZ3 3.95Å; K68-W879 HydrophobicContact CG-CD2 4.32Å
69P95.2Very high91Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-77.1146.1-179.733.2-37.6000112.2V27 I29 L62 I67 F71 F670 W879V27-P69 CarbonylContact O-C 3.54Å; V27-P69 WeakPolarHBondContact O-CA 3.38Å; I29-P69 HydrophobicContact CD1-CB 3.65Å; I29-P69 HydrophobicContact CG1-CB 4.46Å; L62-P69 HydrophobicContact CD1-CB 3.89Å; L62-P69 HydrophobicContact CD1-CG 3.93Å; I67-P69 WeakPolarHBondContact O-CD 3.4Å; P69-F71 HydrophobicContact CB-CD2 4.2Å; P69-F71 HydrophobicContact CB-CE2 3.54Å; P69-F71 HydrophobicContact CB-CZ 3.82Å; P69-F71 HydrophobicContact CG-CE2 3.63Å; P69-F71 HydrophobicContact CG-CZ 4.12Å; P69-F670 HydrophobicContact CG-CD1 3.7Å; P69-F670 HydrophobicContact CG-CD2 4.33Å; P69-F670 HydrophobicContact CG-CE1 3.75Å; P69-F670 HydrophobicContact CG-CE2 4.39Å; P69-F670 HydrophobicContact CG-CG 4.01Å; P69-F670 HydrophobicContact CG-CZ 4.11Å; P69-W879 PolarHBondContact O-NE1 3.48Å
70V95.4Very high91Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-120.1115.7161.5-178.40000106I26 V27 A28 I29 P671 V673 L686 V692 F877 W879I26-V70 HydrophobicContact CG2-CG2 3.87Å; V27-V70 PolarHBondContact O-N 2.87Å; A28-V70 CarbonylContact C-O 3.55Å; A28-V70 VanDerWaalsContact CA-O 3.32Å; A28-V70 WeakPolarHBondContact CA-O 3.37Å; I29-V70 PolarHBondContact N-O 3.07Å; V70-P671 HydrophobicContact CG2-CG 4.33Å; V70-V673 HydrophobicContact CG1-CG2 4.38Å; V70-L686 HydrophobicContact CG1-CD1 4.28Å; V70-V692 HydrophobicContact CG2-CG2 4.37Å; V70-F877 HydrophobicContact CB-CD2 4.47Å; V70-F877 HydrophobicContact CG1-CD1 4.14Å; V70-F877 HydrophobicContact CG1-CD2 4.07Å; V70-F877 HydrophobicContact CG1-CE1 3.89Å; V70-F877 HydrophobicContact CG1-CE2 3.8Å; V70-F877 HydrophobicContact CG1-CG 4.23Å; V70-F877 HydrophobicContact CG1-CZ 3.72Å; V70-F877 HydrophobicContact CG2-CB 4.23Å; V70-F877 HydrophobicContact CG2-CD2 3.59Å; V70-F877 HydrophobicContact CG2-CE2 4.06Å; V70-F877 HydrophobicContact CG2-CG 3.85Å; V70-W879 HydrophobicContact CG2-CZ2 3.86Å
71F96.2Very high91.1Very high0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-87135.6-177.8-69.1-86.2000110.7I29 M31 W34 F55 L59 L62 P69 L665 F670 P671 F672 V673I29-F71 HydrophobicContact CB-CD1 4.02Å; I29-F71 HydrophobicContact CB-CE1 4.14Å; I29-F71 HydrophobicContact CD1-CE1 3.88Å; I29-F71 HydrophobicContact CD1-CZ 4.07Å; I29-F71 HydrophobicContact CG2-CD1 4.13Å; I29-F71 HydrophobicContact CG2-CE1 4.06Å; M31-F71 HydrophobicContact CG-CD1 4.48Å; M31-F71 HydrophobicContact SD-CD1 3.69Å; M31-F71 HydrophobicContact SD-CE1 4.14Å; W34-F71 HydrophobicContact CE3-CE1 4.33Å; W34-F71 HydrophobicContact CZ3-CE1 4.16Å; F55-F71 HydrophobicContact CE2-CE1 4.19Å; L59-F71 HydrophobicContact CD2-CE1 4.19Å; L59-F71 HydrophobicContact CD2-CE2 3.94Å; L59-F71 HydrophobicContact CD2-CZ 3.39Å; L62-F71 HydrophobicContact CD1-CZ 3.74Å; P69-F71 HydrophobicContact CB-CD2 4.2Å; P69-F71 HydrophobicContact CB-CE2 3.54Å; P69-F71 HydrophobicContact CB-CZ 3.82Å; P69-F71 HydrophobicContact CG-CE2 3.63Å; P69-F71 HydrophobicContact CG-CZ 4.12Å; F71-L665 HydrophobicContact CB-CD1 3.7Å; F71-L665 HydrophobicContact CD1-CD1 4.35Å; F71-L665 HydrophobicContact CD1-CD2 4.32Å; F71-L665 HydrophobicContact CD2-CD1 3.86Å; F71-L665 HydrophobicContact CD2-CD2 3.33Å; F71-L665 HydrophobicContact CD2-CG 4.22Å; F71-L665 HydrophobicContact CE1-CD2 4.31Å; F71-L665 HydrophobicContact CE2-CD2 3.3Å; F71-L665 HydrophobicContact CG-CD1 3.69Å; F71-L665 HydrophobicContact CG-CD2 3.87Å; F71-L665 HydrophobicContact CG-CG 4.45Å; F71-L665 HydrophobicContact CZ-CD2 3.83Å; F71-F670 HydrophobicContact CD2-CB 4.17Å; F71-F670 HydrophobicContact CE2-CB 4.01Å; F71-F670 AromaticContact CE2-CD2 3.94Å; F71-F670 HydrophobicContact CE2-CD2 3.94Å; F71-F670 HydrophobicContact CE2-CG 4.11Å; F71-P671 PolarHBondContact N-O 2.92Å; F71-P671 VanDerWaalsContact N-O 3.08Å; F71-F672 HydrophobicContact CB-CB 3.95Å; F71-F672 CarbonylContact O-C 3.58Å; F71-F672 WeakPolarHBondContact O-CA 3.31Å; F71-F672 WeakPolarHBondContact O-CB 3.31Å; F71-V673 PolarHBondContact O-N 3.36Å
72V96.2Very high91.4Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-118.6125177.8-169.40000109.7A28 I29 M31 V673 A679 Q682 C683 L686A28-V72 HydrophobicContact CB-CG2 4.5Å; I29-V72 PolarHBondContact O-N 3.35Å; M31-V72 WeakPolarHBondContact CB-O 3.47Å; M31-V72 PolarHBondContact N-O 2.7Å; V72-V673 CarbonylContact C-O 3.36Å; V72-V673 WeakPolarHBondContact CA-O 3.48Å; V72-A679 HydrophobicContact CB-CB 4.26Å; V72-A679 HydrophobicContact CG1-CB 3.84Å; V72-Q682 HydrophobicContact CG1-CB 3.86Å; V72-Q682 HydrophobicContact CG1-CG 3.73Å; V72-C683 WeakPolarHBondContact CG2-SG 3.39Å; V72-L686 HydrophobicContact CG2-CD1 4Å
73F95.8Very high91.4Very high6 Ų639.6 Ų39.63%0.02622%0.221CC..EExtended strand (participates in β ladder)trans-101.7145.1175.8-68.7-91.8000110.5M31 I658 Q662 L665 F672 V673 V674 S675M31-F73 HydrophobicContact CB-CD1 4.06Å; M31-F73 HydrophobicContact CB-CE1 4.07Å; M31-F73 HydrophobicContact CB-CG 4.32Å; M31-F73 HydrophobicContact CB-CZ 4.32Å; M31-F73 HydrophobicContact CG-CD1 3.88Å; M31-F73 HydrophobicContact CG-CE1 3.38Å; M31-F73 HydrophobicContact CG-CE2 4.2Å; M31-F73 HydrophobicContact CG-CG 4.48Å; M31-F73 HydrophobicContact CG-CZ 3.57Å; F73-I658 HydrophobicContact CD1-CG2 3.78Å; F73-I658 HydrophobicContact CE1-CG2 3.84Å; F73-Q662 HydrophobicContact CD2-CG 4.37Å; F73-Q662 HydrophobicContact CE1-CG 3.94Å; F73-Q662 HydrophobicContact CE2-CG 3.6Å; F73-Q662 HydrophobicContact CZ-CG 3.34Å; F73-L665 HydrophobicContact CE2-CD1 3.82Å; F73-L665 HydrophobicContact CZ-CD1 3.82Å; F73-F672 HydrophobicContact CD2-CB 4.18Å; F73-F672 AromaticContact CD2-CD2 3.86Å; F73-F672 HydrophobicContact CD2-CD2 3.86Å; F73-F672 HydrophobicContact CD2-CG 4.34Å; F73-F672 HydrophobicContact CE2-CB 3.8Å; F73-F672 AromaticContact CE2-CD2 3.73Å; F73-F672 HydrophobicContact CE2-CD2 3.73Å; F73-F672 AromaticContact CE2-CG 3.88Å; F73-F672 HydrophobicContact CE2-CG 3.88Å; F73-V673 PolarHBondContact N-O 3.16Å; F73-V674 HydrophobicContact CB-CG2 4.31Å; F73-S675 WeakPolarHBondContact O-CB 3.3Å; F73-S675 PolarHBondContact O-N 3.37Å
74D93.4Very high91.5Very high57 Ų5741.1 Ų41.131%0.30523%0.231SC..  trans-64.6148.1168-71-40.4000111.1N32 A679N32-D74 WeakPolarHBondContact CB-OD2 3.37Å; N32-D74 PolarHBondContact ND2-OD2 3.15Å; D74-A679 WeakPolarHBondContact OD1-CB 3.42Å; D74-A679 PolarHBondContact OD1-N 3.2Å
75G92.2Very high91.8Very high36 Ų3643.1 Ų43.137%0.37124%0.241SC..  trans-107.4-125.4171.800000111.6S675 E677G75-S675 VanDerWaalsContact CA-O 3.32Å; G75-S675 WeakPolarHBondContact CA-O 3.04Å; G75-E677 PolarHBondContact N-O 2.68Å
76E91.5Very high92.2Very high149 Ų14946.5 Ų46.570%0.69626%0.26SS*.SBendtrans-77.7149.9179.8-65.4-167.5-17500112.4P78 P676 E677E76-P78 WeakPolarHBondContact O-CD 3.44Å; E76-P676 PolarHBondContact N-O 3.4Å; E76-E677 VanDerWaalsContact O-CA 3.32Å; E76-E677 WeakPolarHBondContact O-CA 3.37Å
77T91.3Very high92.5Very high55 Ų5548.7 Ų48.734%0.33727%0.273SS..PPolyproline II helixtrans-77.8118.9175.4-60.70000110.6K81 R82 I85T77-K81 HydrophobicContact CG2-CB 3.96Å; T77-K81 HydrophobicContact CG2-CG 4.31Å; T77-R82 HydrophobicContact CG2-CG 3.87Å; T77-R82 PolarHBondContact O-NE 3.47Å; T77-I85 HydrophobicContact CG2-CD1 3.56Å; T77-I85 HydrophobicContact CG2-CG1 4.32Å
78P92.5Very high92.5Very high14 Ų1451.9 Ų51.99%0.09128%0.284CS..PPolyproline II helixtrans-62.2150.2177.420.9-28.6000111.5E76 L80 K81 R82 E678 Y759E76-P78 WeakPolarHBondContact O-CD 3.44Å; P78-L80 PolarHBondContact O-N 2.87Å; P78-L80 VanDerWaalsContact O-N 3.08Å; P78-K81 HydrophobicContact CG-CB 3.96Å; P78-K81 HydrophobicContact CG-CD 4.49Å; P78-K81 PolarHBondContact O-N 3.43Å; P78-R82 PolarHBondContact O-N 3.28Å; P78-E678 HydrophobicContact CG-CG 4.07Å; P78-E678 WeakPolarHBondContact CG-OE1 3.19Å; P78-Y759 HydrophobicContact CG-CE1 3.99Å
79A91.6Very high92.5Very high72 Ų7254.9 Ų54.960%0.59529%0.293SS*.THydrogen-bonded Turntrans-53.3-38-170.600000113.8
80L90.2Very high92.4Very high48 Ų4860.8 Ų60.825%0.25132%0.321SS..THydrogen-bonded Turntrans-66.4-36.2178.6-60.9173000112.8P78 Y759 I861 A864P78-L80 PolarHBondContact O-N 2.87Å; P78-L80 VanDerWaalsContact O-N 3.08Å; L80-Y759 HydrophobicContact CB-CD1 3.98Å; L80-Y759 HydrophobicContact CB-CG 4.24Å; L80-Y759 HydrophobicContact CD1-CG 4.42Å; L80-I861 HydrophobicContact CD1-CG1 4.21Å; L80-A864 HydrophobicContact CD1-CB 3.78Å
81K91Very high92.3Very high21 Ų2166.7 Ų66.79%0.09135%0.352CS..Hα-helixtrans-80-14.5-176.6-165.7158.3179.5153.80113.1T77 P78 S83 T84 I85 E678 E680 D758 Y759T77-K81 HydrophobicContact CG2-CB 3.96Å; T77-K81 HydrophobicContact CG2-CG 4.31Å; P78-K81 HydrophobicContact CG-CB 3.96Å; P78-K81 HydrophobicContact CG-CD 4.49Å; P78-K81 PolarHBondContact O-N 3.43Å; K81-S83 VanDerWaalsContact C-N 3.35Å; K81-S83 PolarHBondContact O-N 3Å; K81-T84 PolarHBondContact O-N 3.19Å; K81-I85 HydrophobicContact CG-CD1 4.26Å; K81-I85 HydrophobicContact CG-CG1 4.18Å; K81-I85 PolarHBondContact O-N 3.1Å; K81-E678 WeakPolarHBondContact CD-OE1 3.46Å; K81-E678 IonicContact NZ-OE1 2.71Å; K81-E678 IonicContact NZ-OE2 3.54Å; K81-E678 PolarHBondContact NZ-OE2 2.95Å; K81-E680 IonicContact NZ-OE1 3.85Å; K81-D758 HydrophobicContact CD-CB 4Å; K81-D758 WeakPolarHBondContact CE-OD2 3.24Å; K81-D758 HydrophobicContact CG-CB 4.31Å; K81-D758 IonicContact NZ-OD2 3.98Å; K81-D758 PolarHBondContact NZ-OD2 3.18Å; K81-Y759 HydrophobicContact CB-CD1 4.09Å; K81-Y759 HydrophobicContact CB-CE1 4.05Å; K81-Y759 HydrophobicContact CD-CE1 4.16Å
82R92.2Very high92Very high140 Ų14070 Ų7053%0.52836%0.364SS..Hα-helixtrans-58.5-40.5-178.7-65.7179.9-173.8171.80.4113.2T77 P78 I85 N86T77-R82 HydrophobicContact CG2-CG 3.87Å; T77-R82 PolarHBondContact O-NE 3.47Å; P78-R82 PolarHBondContact O-N 3.28Å; R82-I85 PolarHBondContact O-N 3.11Å; R82-N86 PolarHBondContact O-N 3.42Å
83S89.7Confident91.9Very high83 Ų8374 Ų7458%0.5839%0.386SS*.Hα-helixtrans-61.6-52.4176.7-173.20000110.9K81 I85 N86 S87K81-S83 VanDerWaalsContact C-N 3.35Å; K81-S83 PolarHBondContact O-N 3Å; S83-I85 VanDerWaalsContact C-N 3.32Å; S83-I85 PolarHBondContact O-N 3.43Å; S83-N86 WeakPolarHBondContact O-CB 3.34Å; S83-N86 PolarHBondContact O-N 3.47Å; S83-S87 PolarHBondContact O-N 3.17Å; S83-S87 PolarHBondContact O-OG 2.72Å
84T89.6Confident91.8Very high35 Ų3577.9 Ų77.922%0.21541%0.406CS..Hα-helixtrans-57-41.1177.6-47.10000112.5K81 R88 D758K81-T84 PolarHBondContact O-N 3.19Å; T84-R88 WeakPolarHBondContact O-CB 3.41Å; T84-R88 VanDerWaalsContact O-CG 3.28Å; T84-R88 WeakPolarHBondContact O-CG 3.24Å; T84-R88 PolarHBondContact O-N 3.26Å; T84-D758 WeakPolarHBondContact CB-O 3.47Å; T84-D758 PolarHBondContact OG1-O 3.12Å
85I89.9Confident91.7Very high56 Ų5675.8 Ų75.829%0.28740%0.396SS..Hα-helixtrans-68.8-37176.5-68.3-168.2000112T77 K81 R82 S83 R88 R89T77-I85 HydrophobicContact CG2-CD1 3.56Å; T77-I85 HydrophobicContact CG2-CG1 4.32Å; K81-I85 HydrophobicContact CG-CD1 4.26Å; K81-I85 HydrophobicContact CG-CG1 4.18Å; K81-I85 PolarHBondContact O-N 3.1Å; R82-I85 PolarHBondContact O-N 3.11Å; S83-I85 VanDerWaalsContact C-N 3.32Å; S83-I85 PolarHBondContact O-N 3.43Å; I85-R88 PolarHBondContact O-N 3.23Å; I85-R89 WeakPolarHBondContact O-CB 3.36Å; I85-R89 PolarHBondContact O-N 3.42Å
86N93Very high91.6Very high93 Ų9379.4 Ų79.450%0.49740%0.404SS..Hα-helixtrans-64.7-44.1174.8-75.5-17.1000111.6R82 S83 R88 R89 Q90R82-N86 PolarHBondContact O-N 3.42Å; S83-N86 WeakPolarHBondContact O-CB 3.34Å; S83-N86 PolarHBondContact O-N 3.47Å; N86-R88 PolarHBondContact O-N 2.94Å; N86-R89 WeakPolarHBondContact O-CB 3.25Å; N86-R89 PolarHBondContact O-N 3.3Å; N86-R89 VanDerWaalsContact O-N 3.1Å; N86-Q90 WeakPolarHBondContact O-CG 3.44Å; N86-Q90 PolarHBondContact O-N 3.02Å
87S91.3Very high91.7Very high64 Ų6475.1 Ų75.145%0.44839%0.393SS..Hα-helixtrans-62-40.6173.6-550000112.3S83 R89 Q90 L91S83-S87 PolarHBondContact O-N 3.17Å; S83-S87 PolarHBondContact O-OG 2.72Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 3Å; S87-Q90 PolarHBondContact O-N 3.28Å; S87-L91 WeakPolarHBondContact O-CB 3.49Å; S87-L91 PolarHBondContact O-N 3.1Å
88R91.2Very high91.7Very high73 Ų7378.1 Ų78.128%0.27540%0.402SS..Hα-helixtrans-63-35.7172.1-73.4171.9-178.6170.55.1112.4M1 T84 I85 N86 R92 D758M1-R88 VanDerWaalsContact CE-CZ 3.45Å; M1-R88 VanDerWaalsContact CE-NH1 3.34Å; T84-R88 WeakPolarHBondContact O-CB 3.41Å; T84-R88 VanDerWaalsContact O-CG 3.28Å; T84-R88 WeakPolarHBondContact O-CG 3.24Å; T84-R88 PolarHBondContact O-N 3.26Å; I85-R88 PolarHBondContact O-N 3.23Å; N86-R88 PolarHBondContact O-N 2.94Å; R88-R92 VanDerWaalsContact O-CG 3.32Å; R88-R92 WeakPolarHBondContact O-CG 3.49Å; R88-R92 PolarHBondContact O-N 3.44Å; R88-R92 PolarHBondContact O-NE 3.47Å; R88-D758 IonicContact CZ-OD1 2.84Å; R88-D758 IonicContact CZ-OD2 3.68Å; R88-D758 IonicContact NH1-OD1 3.06Å; R88-D758 IonicContact NH1-OD2 3.24Å; R88-D758 PolarHBondContact NH1-OD2 2.79Å; R88-D758 IonicContact NH2-OD1 2.78Å; R88-D758 PolarHBondContact NH2-OD1 3.27Å; R88-D758 IonicContact NH2-OD2 2.83Å; R88-D758 PolarHBondContact NH2-OD2 3.31Å; R88-D758 VanDerWaalsContact NH2-OD2 3.16Å
89R93.3Very high91.5Very high150 Ų15077.6 Ų77.657%0.56640%0.399SS*.Hα-helixtrans-67.3-47.3174.9-173.5179.7-179.8-172.6-1.9111.2I85 N86 S87 L91 R92 N93I85-R89 WeakPolarHBondContact O-CB 3.36Å; I85-R89 PolarHBondContact O-N 3.42Å; N86-R89 WeakPolarHBondContact O-CB 3.25Å; N86-R89 PolarHBondContact O-N 3.3Å; N86-R89 VanDerWaalsContact O-N 3.1Å; S87-R89 VanDerWaalsContact C-N 3.32Å; S87-R89 PolarHBondContact O-N 3Å; R89-L91 PolarHBondContact O-N 3.37Å; R89-R92 PolarHBondContact O-N 3.04Å; R89-N93 PolarHBondContact O-N 3.35Å; R89-N93 PolarHBondContact O-OD1 3.25Å
90Q94.1Very high91.4Very high125 Ų12578.9 Ų78.958%0.58439%0.392SS*.Hα-helixtrans-57.7-47.8175-71.9171.1-37.800111.5N86 S87 R92 N93 L94N86-Q90 WeakPolarHBondContact O-CG 3.44Å; N86-Q90 PolarHBondContact O-N 3.02Å; S87-Q90 PolarHBondContact O-N 3.28Å; Q90-R92 VanDerWaalsContact C-N 3.31Å; Q90-R92 PolarHBondContact O-N 2.98Å; Q90-N93 PolarHBondContact O-N 2.96Å; Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 3Å
91L91.7Very high91.4Very high123 Ų12380.4 Ų80.464%0.64440%0.397SS*.Hα-helixtrans-61.3-38177.8-174.662.4000112.5S87 R89 L94 S95S87-L91 WeakPolarHBondContact O-CB 3.49Å; S87-L91 PolarHBondContact O-N 3.1Å; R89-L91 PolarHBondContact O-N 3.37Å; L91-L94 PolarHBondContact O-N 3.2Å; L91-S95 PolarHBondContact O-N 3.13Å
92R90.6Very high91.2Very high70 Ų7080.1 Ų80.126%0.26440%0.399SS..Hα-helixtrans-65.2-48.6173.8-76.3-177.7-57.317710.5112.1R88 R89 Q90 L94 S95 E96 S652R88-R92 VanDerWaalsContact O-CG 3.32Å; R88-R92 WeakPolarHBondContact O-CG 3.49Å; R88-R92 PolarHBondContact O-N 3.44Å; R88-R92 PolarHBondContact O-NE 3.47Å; R89-R92 PolarHBondContact O-N 3.04Å; Q90-R92 VanDerWaalsContact C-N 3.31Å; Q90-R92 PolarHBondContact O-N 2.98Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.43Å; R92-S95 WeakPolarHBondContact CA-OG 3.2Å; R92-S95 CarbonylContact O-C 3.51Å; R92-S95 WeakPolarHBondContact O-CA 3.34Å; R92-S95 PolarHBondContact O-N 3.38Å; R92-S95 PolarHBondContact O-OG 3.28Å; R92-E96 WeakPolarHBondContact O-CB 3.4Å; R92-E96 PolarHBondContact O-N 2.95Å; R92-S652 PolarHBondContact NH1-OG 2.95Å
93N93.5Very high91Very high85 Ų8577.6 Ų77.646%0.45539%0.393SS..Hα-helixtrans-56.5-41.6176.4-66.414.6000111.3R89 Q90 E96 A97R89-N93 PolarHBondContact O-N 3.35Å; R89-N93 PolarHBondContact O-OD1 3.25Å; Q90-N93 PolarHBondContact O-N 2.96Å; N93-E96 WeakPolarHBondContact O-CB 2.83Å; N93-E96 PolarHBondContact O-N 3.21Å; N93-A97 PolarHBondContact O-N 3.48Å
94L94Very high90.9Very high86 Ų8678.2 Ų78.245%0.4539%0.385SS..Hα-helixtrans-65-39.8174.6-69.7171.5000112.3Q90 L91 R92 E96 K98Q90-L94 WeakPolarHBondContact O-CG 3.47Å; Q90-L94 PolarHBondContact O-N 3Å; L91-L94 PolarHBondContact O-N 3.2Å; R92-L94 VanDerWaalsContact C-N 3.26Å; R92-L94 PolarHBondContact O-N 3.43Å; L94-E96 VanDerWaalsContact C-N 3.33Å; L94-K98 WeakPolarHBondContact O-CB 3.25Å; L94-K98 VanDerWaalsContact O-CG 3.26Å; L94-K98 WeakPolarHBondContact O-CG 3.34Å; L94-K98 PolarHBondContact O-N 3.42Å
95S90.5Very high90.8Very high13 Ų1379.3 Ų79.39%0.09139%0.388CS..Hα-helixtrans-68.5-31.5174.573.30000112.8L91 R92 A99 A650L91-S95 PolarHBondContact O-N 3.13Å; R92-S95 WeakPolarHBondContact CA-OG 3.2Å; R92-S95 CarbonylContact O-C 3.51Å; R92-S95 WeakPolarHBondContact O-CA 3.34Å; R92-S95 PolarHBondContact O-N 3.38Å; R92-S95 PolarHBondContact O-OG 3.28Å; S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.25Å; S95-A99 PolarHBondContact O-N 3.2Å; S95-A650 WeakPolarHBondContact OG-CA 3.39Å; S95-A650 PolarHBondContact OG-N 2.94Å
96E90.9Very high90.6Very high113 Ų11377.6 Ų77.653%0.52838%0.379SS..Hα-helixtrans-69.8-48.4176-169.5169-163.100111R92 N93 L94 K98 A99 E100 A650R92-E96 WeakPolarHBondContact O-CB 3.4Å; R92-E96 PolarHBondContact O-N 2.95Å; N93-E96 WeakPolarHBondContact O-CB 2.83Å; N93-E96 PolarHBondContact O-N 3.21Å; L94-E96 VanDerWaalsContact C-N 3.33Å; E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 PolarHBondContact O-N 3.48Å; E96-A99 WeakPolarHBondContact O-CB 3.3Å; E96-A99 PolarHBondContact O-N 3Å; E96-A99 VanDerWaalsContact O-N 3.13Å; E96-E100 WeakPolarHBondContact O-CB 3.44Å; E96-E100 PolarHBondContact O-N 3.42Å; E96-A650 HydrophobicContact CB-CB 3.78Å; E96-A650 HydrophobicContact CG-CB 4.25Å
97A93.1Very high90.3Very high58 Ų5877 Ų7748%0.47938%0.375SS..Hα-helixtrans-59.9-40.1173.500000112.2N93 E100 K101N93-A97 PolarHBondContact O-N 3.48Å; A97-E100 PolarHBondContact O-N 3.37Å; A97-K101 WeakPolarHBondContact O-CB 3.46Å; A97-K101 PolarHBondContact O-N 2.92Å
98K91.3Very high90.1Very high118 Ų11882.6 Ų82.651%0.51339%0.387SS..Hα-helixtrans-65.7-40.8173.1-73.8177.5-179-172.10112.2L94 E96 A102 L646L94-K98 WeakPolarHBondContact O-CB 3.25Å; L94-K98 VanDerWaalsContact O-CG 3.26Å; L94-K98 WeakPolarHBondContact O-CG 3.34Å; L94-K98 PolarHBondContact O-N 3.42Å; E96-K98 VanDerWaalsContact C-N 3.31Å; E96-K98 PolarHBondContact O-N 3.48Å; K98-A102 WeakPolarHBondContact O-CB 3.28Å; K98-A102 PolarHBondContact O-N 3.13Å; K98-L646 HydrophobicContact CB-CD1 4.18Å; K98-L646 HydrophobicContact CB-CD2 4.34Å
99A88.7Confident89.8Confident4 Ų480.4 Ų80.43%0.03338%0.378CS..Hα-helixtrans-61.6-45.9174.300000110.9S95 E96 A102 Q103 L646S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.25Å; S95-A99 PolarHBondContact O-N 3.2Å; E96-A99 WeakPolarHBondContact O-CB 3.3Å; E96-A99 PolarHBondContact O-N 3Å; E96-A99 VanDerWaalsContact O-N 3.13Å; A99-A102 PolarHBondContact O-N 3.48Å; A99-Q103 WeakPolarHBondContact O-CB 3.46Å; A99-Q103 VanDerWaalsContact O-CG 3.29Å; A99-Q103 WeakPolarHBondContact O-CG 3.41Å; A99-Q103 PolarHBondContact O-N 3.49Å; A99-L646 HydrophobicContact CB-CB 3.67Å
100E90.2Very high89.4Confident98 Ų9873.4 Ų73.446%0.45835%0.352SS..Hα-helixtrans-65.1-42179.9-157-156.5-175.300111.6E96 A97 A102 Q103 K104E96-E100 WeakPolarHBondContact O-CB 3.44Å; E96-E100 PolarHBondContact O-N 3.42Å; A97-E100 PolarHBondContact O-N 3.37Å; E100-A102 PolarHBondContact O-N 2.91Å; E100-Q103 PolarHBondContact O-N 2.97Å; E100-K104 HydrophobicContact CG-CD 4.25Å; E100-K104 VanDerWaalsContact O-CB 3.28Å; E100-K104 WeakPolarHBondContact O-CB 3.38Å; E100-K104 VanDerWaalsContact O-CG 3.24Å; E100-K104 WeakPolarHBondContact O-CG 3.44Å; E100-K104 PolarHBondContact O-N 2.89Å; E100-K104 WeakPolarHBondContact OE1-CE 3.49Å; E100-K104 IonicContact OE1-NZ 3.26Å; E100-K104 PolarHBondContact OE1-NZ 3.37Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.28Å
101K90.3Very high89.1Confident80 Ų8071.6 Ų71.635%0.34835%0.346SS..Hα-helixtrans-60.2-43.9173.1-167.5177.4-175.4-175.90111.1A97 H105 S624 L627A97-K101 WeakPolarHBondContact O-CB 3.46Å; A97-K101 PolarHBondContact O-N 2.92Å; K101-H105 WeakPolarHBondContact O-CB 3.42Å; K101-H105 PolarHBondContact O-N 3.46Å; K101-S624 PolarHBondContact NZ-O 2.73Å; K101-L627 HydrophobicContact CD-CD1 3.9Å; K101-L627 HydrophobicContact CG-CD1 4.2Å
102A87.3Confident88.7Confident16 Ų1671.7 Ų71.713%0.13234%0.338CS..Hα-helixtrans-65.8-44.5177.200000112.7K98 A99 E100 H105 L106 A643 L646K98-A102 WeakPolarHBondContact O-CB 3.28Å; K98-A102 PolarHBondContact O-N 3.13Å; A99-A102 PolarHBondContact O-N 3.48Å; E100-A102 PolarHBondContact O-N 2.91Å; A102-H105 PolarHBondContact O-N 3.37Å; A102-L106 WeakPolarHBondContact O-CB 3.37Å; A102-L106 PolarHBondContact O-N 3.11Å; A102-A643 HydrophobicContact CB-CB 4.12Å; A102-L646 HydrophobicContact CB-CD1 4.35Å
103Q86.4Confident88.3Confident86 Ų8672.5 Ų72.540%0.40234%0.341SS..Hα-helixtrans-63-43.6175.5-73.1177.55.400111.8A99 E100 L106 L107 A643 T647A99-Q103 WeakPolarHBondContact O-CB 3.46Å; A99-Q103 VanDerWaalsContact O-CG 3.29Å; A99-Q103 WeakPolarHBondContact O-CG 3.41Å; A99-Q103 PolarHBondContact O-N 3.49Å; E100-Q103 PolarHBondContact O-N 2.97Å; Q103-L106 PolarHBondContact O-N 3.3Å; Q103-L107 VanDerWaalsContact O-CB 3.28Å; Q103-L107 WeakPolarHBondContact O-CB 3.35Å; Q103-L107 PolarHBondContact O-N 3.39Å; Q103-A643 HydrophobicContact CG-CB 4Å; Q103-T647 PolarHBondContact NE2-OG1 3.03Å
104K89Confident87.8Confident96 Ų9669 Ų6942%0.41732%0.323SS..Hα-helixtrans-61.3-42.3174.3-76.4168.8178.1165.90111.5E100 L107 R108E100-K104 HydrophobicContact CG-CD 4.25Å; E100-K104 VanDerWaalsContact O-CB 3.28Å; E100-K104 WeakPolarHBondContact O-CB 3.38Å; E100-K104 VanDerWaalsContact O-CG 3.24Å; E100-K104 WeakPolarHBondContact O-CG 3.44Å; E100-K104 PolarHBondContact O-N 2.89Å; E100-K104 WeakPolarHBondContact OE1-CE 3.49Å; E100-K104 IonicContact OE1-NZ 3.26Å; E100-K104 PolarHBondContact OE1-NZ 3.37Å; E100-K104 IonicContact OE2-NZ 3.43Å; E100-K104 PolarHBondContact OE2-NZ 3.28Å; K104-L107 PolarHBondContact O-N 3.44Å; K104-R108 WeakPolarHBondContact O-CB 3.38Å; K104-R108 VanDerWaalsContact O-CG 3.28Å; K104-R108 WeakPolarHBondContact O-CG 3.49Å; K104-R108 PolarHBondContact O-N 2.91Å
105H86.2Confident87.3Confident59 Ų5967.5 Ų67.527%0.27332%0.323SS..Hα-helixtrans-64.3-48.9176.4-178.994.3000111.5K101 A102 L107 R108 R109K101-H105 WeakPolarHBondContact O-CB 3.42Å; K101-H105 PolarHBondContact O-N 3.46Å; A102-H105 PolarHBondContact O-N 3.37Å; H105-L107 PolarHBondContact O-N 3.43Å; H105-R108 PolarHBondContact O-N 3.41Å; H105-R109 WeakPolarHBondContact O-CB 3.17Å; H105-R109 PolarHBondContact O-N 3.41Å
106L86Confident86.8Confident19 Ų1971.9 Ų71.910%0.09934%0.342CS..Hα-helixtrans-57.7-45.9175.1178.162.7000111.6A102 Q103 R108 R109 L110 D636 L639 R640A102-L106 WeakPolarHBondContact O-CB 3.37Å; A102-L106 PolarHBondContact O-N 3.11Å; Q103-L106 PolarHBondContact O-N 3.3Å; L106-R108 PolarHBondContact O-N 2.93Å; L106-R109 PolarHBondContact O-N 3.05Å; L106-L110 HydrophobicContact CD1-CD1 4.22Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.09Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 2.92Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.09Å; L106-L110 PolarHBondContact O-N 3.48Å; L106-D636 HydrophobicContact CD1-CB 4.25Å; L106-L639 HydrophobicContact CD1-CB 4.16Å; L106-R640 HydrophobicContact CD2-CB 4Å; L106-R640 HydrophobicContact CD2-CG 4.28Å
107L87.1Confident86.1Confident80 Ų8068.7 Ų68.742%0.41933%0.332SS..Hα-helixtrans-62.4-42178.2-178.561000112Q103 K104 H105 L110 L111Q103-L107 VanDerWaalsContact O-CB 3.28Å; Q103-L107 WeakPolarHBondContact O-CB 3.35Å; Q103-L107 PolarHBondContact O-N 3.39Å; K104-L107 PolarHBondContact O-N 3.44Å; H105-L107 PolarHBondContact O-N 3.43Å; L107-L110 PolarHBondContact O-N 2.82Å; L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.3Å; L107-L111 HydrophobicContact CG-CD1 3.95Å; L107-L111 VanDerWaalsContact O-CB 3.32Å; L107-L111 WeakPolarHBondContact O-CB 3.45Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 2.89Å
108R87.6Confident85.3Confident182 Ų18267.4 Ų67.469%0.68732%0.319SS*.Hα-helixtrans-62.2-43.9174.1-75.7172.8177.5-177.4-0.5111.9K104 H105 L106 L111 R112K104-R108 WeakPolarHBondContact O-CB 3.38Å; K104-R108 VanDerWaalsContact O-CG 3.28Å; K104-R108 WeakPolarHBondContact O-CG 3.49Å; K104-R108 PolarHBondContact O-N 2.91Å; H105-R108 PolarHBondContact O-N 3.41Å; L106-R108 PolarHBondContact O-N 2.93Å; R108-L111 PolarHBondContact O-N 3.26Å; R108-R112 WeakPolarHBondContact O-CB 3.08Å; R108-R112 PolarHBondContact O-N 2.85Å
109R83.9Confident84.7Confident27 Ų2766.7 Ų66.710%0.10232%0.324CS..Hα-helixtrans-61.8-45.5177.2-172.9173.6174.1110.77.2111.3H105 L106 R112 R113 D631 Y632 I634 D636 L639H105-R109 WeakPolarHBondContact O-CB 3.17Å; H105-R109 PolarHBondContact O-N 3.41Å; L106-R109 PolarHBondContact O-N 3.05Å; R109-R112 PolarHBondContact O-N 3.36Å; R109-R113 VanDerWaalsContact NH2-NH2 3.11Å; R109-R113 WeakPolarHBondContact O-CG 3.42Å; R109-R113 PolarHBondContact O-N 2.88Å; R109-R113 VanDerWaalsContact O-N 3.08Å; R109-D631 PolarHBondContact NH1-O 2.85Å; R109-Y632 PolarHBondContact NH2-O 2.81Å; R109-I634 PolarHBondContact NH2-O 3.42Å; R109-D636 WeakPolarHBondContact CD-OD1 3.07Å; R109-D636 IonicContact CZ-OD1 3.75Å; R109-D636 IonicContact NE-OD1 3.15Å; R109-D636 PolarHBondContact NE-OD1 3.47Å; R109-D636 IonicContact NH2-OD1 3.32Å; R109-L639 VanDerWaalsContact CD-CD1 3.43Å
110L85Confident84.1Confident4 Ų473.6 Ų73.62%0.02135%0.354CS..Hα-helixtrans-63.6-47.7174.9-72.2177000112.7L106 L107 R112 R113 V114 R143 L144 D636L106-L110 HydrophobicContact CD1-CD1 4.22Å; L106-L110 HydrophobicContact CD1-CG 4.2Å; L106-L110 HydrophobicContact CG-CD1 4.09Å; L106-L110 HydrophobicContact CG-CG 4.46Å; L106-L110 WeakPolarHBondContact O-CB 2.92Å; L106-L110 VanDerWaalsContact O-CG 3.32Å; L106-L110 WeakPolarHBondContact O-CG 3.09Å; L106-L110 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 2.82Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.82Å; L110-R113 PolarHBondContact O-N 3.2Å; L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.81Å; L110-R143 HydrophobicContact CD2-CB 3.86Å; L110-L144 HydrophobicContact CD1-CD1 4.01Å; L110-L144 HydrophobicContact CD1-CG 4.41Å; L110-D636 VanDerWaalsContact CD2-OD2 3.27Å; L110-D636 WeakPolarHBondContact CD2-OD2 3.3Å
111L87.2Confident83Confident86 Ų8670.8 Ų70.845%0.4535%0.345SS..Hα-helixtrans-59.3-43.9176.9-79.5165.9000111.6L107 R108 V114 A115 L140L107-L111 HydrophobicContact CD1-CD1 4.18Å; L107-L111 HydrophobicContact CD1-CG 4.3Å; L107-L111 HydrophobicContact CG-CD1 3.95Å; L107-L111 VanDerWaalsContact O-CB 3.32Å; L107-L111 WeakPolarHBondContact O-CB 3.45Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.24Å; L107-L111 PolarHBondContact O-N 2.89Å; R108-L111 PolarHBondContact O-N 3.26Å; L111-V114 PolarHBondContact O-N 3.48Å; L111-A115 PolarHBondContact O-N 3.12Å; L111-L140 HydrophobicContact CD2-CD1 3.46Å; L111-L140 VanDerWaalsContact CD2-CD1 3.46Å; L111-L140 HydrophobicContact CG-CD1 4.2Å
112R84.4Confident81.9Confident126 Ų12671.8 Ų71.848%0.47535%0.354SS..Hα-helixtrans-61-48.3177.2-168.1-170.8-67.7-176.62.6111.3R108 R109 L110 V114 A115 E116 Y632R108-R112 WeakPolarHBondContact O-CB 3.08Å; R108-R112 PolarHBondContact O-N 2.85Å; R109-R112 PolarHBondContact O-N 3.36Å; L110-R112 VanDerWaalsContact C-N 3.34Å; L110-R112 PolarHBondContact O-N 2.82Å; R112-V114 VanDerWaalsContact C-N 3.32Å; R112-V114 PolarHBondContact O-N 3.41Å; R112-A115 CarbonylContact O-C 3.58Å; R112-A115 WeakPolarHBondContact O-CA 3.43Å; R112-A115 WeakPolarHBondContact O-CB 3.38Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-A115 VanDerWaalsContact O-N 3.11Å; R112-E116 VanDerWaalsContact CD-OE1 3.24Å; R112-E116 WeakPolarHBondContact CD-OE1 3.45Å; R112-E116 HydrophobicContact CG-CG 4.37Å; R112-E116 WeakPolarHBondContact CG-OE1 3.26Å; R112-E116 WeakPolarHBondContact O-CG 3.12Å; R112-E116 PolarHBondContact O-N 2.95Å; R112-Y632 PolarHBondContact NH1-OH 3.49Å
113R81.2Confident80.9Confident86 Ų8675.2 Ų75.233%0.32538%0.377SS..Hα-helixtrans-63.3-35.5177.3-72.2-173.5-171.9161.99113.4R109 L110 E116 S117 D636R109-R113 VanDerWaalsContact NH2-NH2 3.11Å; R109-R113 WeakPolarHBondContact O-CG 3.42Å; R109-R113 PolarHBondContact O-N 2.88Å; R109-R113 VanDerWaalsContact O-N 3.08Å; L110-R113 PolarHBondContact O-N 3.2Å; R113-E116 PolarHBondContact O-N 3.35Å; R113-S117 VanDerWaalsContact O-CB 3.27Å; R113-S117 WeakPolarHBondContact O-CB 3.25Å; R113-S117 PolarHBondContact O-N 2.92Å; R113-S117 PolarHBondContact O-OG 3.49Å; R113-D636 IonicContact CZ-OD1 2.8Å; R113-D636 IonicContact CZ-OD2 3.91Å; R113-D636 IonicContact NH1-OD1 2.6Å; R113-D636 PolarHBondContact NH1-OD1 3.26Å; R113-D636 IonicContact NH1-OD2 2.79Å; R113-D636 PolarHBondContact NH1-OD2 3.42Å; R113-D636 IonicContact NH2-OD1 3.76Å; R113-D636 PolarHBondContact NH2-OD1 2.92Å; R113-D636 IonicContact NH2-OD2 2.68Å
114V83.2Confident79.8Confident13 Ų1375.5 Ų75.58%0.07939%0.385CS..Hα-helixtrans-63.5-44.4172.8172.30000110L110 L111 R112 S117 S118 A136 E139 L140L110-V114 WeakPolarHBondContact O-CG2 3.42Å; L110-V114 PolarHBondContact O-N 2.81Å; L111-V114 PolarHBondContact O-N 3.48Å; R112-V114 VanDerWaalsContact C-N 3.32Å; R112-V114 PolarHBondContact O-N 3.41Å; V114-S117 WeakPolarHBondContact CA-OG 3.44Å; V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.41Å; V114-S118 WeakPolarHBondContact O-CB 3.48Å; V114-S118 PolarHBondContact O-N 2.85Å; V114-A136 HydrophobicContact CG1-CB 4.15Å; V114-E139 HydrophobicContact CG2-CG 4.45Å; V114-L140 HydrophobicContact CG2-CB 4.12Å
115A83.7Confident78.2Confident54 Ų5473.6 Ų73.645%0.44638%0.383SS..Hα-helixtrans-63.7-42.6174.700000113.4L111 R112 S118 V119L111-A115 PolarHBondContact O-N 3.12Å; R112-A115 CarbonylContact O-C 3.58Å; R112-A115 WeakPolarHBondContact O-CA 3.43Å; R112-A115 WeakPolarHBondContact O-CB 3.38Å; R112-A115 PolarHBondContact O-N 3.4Å; R112-A115 VanDerWaalsContact O-N 3.11Å; A115-S118 WeakPolarHBondContact O-CA 3.42Å; A115-S118 VanDerWaalsContact O-CB 3.25Å; A115-S118 WeakPolarHBondContact O-CB 3.43Å; A115-S118 PolarHBondContact O-N 3.41Å; A115-V119 WeakPolarHBondContact O-CG2 3.45Å; A115-V119 PolarHBondContact O-N 3.39Å
116E80.7Confident76.8Confident105 Ų10578.6 Ų78.649%0.49141%0.411SS..Hα-helixtrans-64.2-43.6175.6-72.3165.9-178.100111.8R112 R113 S118 V119 K120R112-E116 VanDerWaalsContact CD-OE1 3.24Å; R112-E116 WeakPolarHBondContact CD-OE1 3.45Å; R112-E116 HydrophobicContact CG-CG 4.37Å; R112-E116 WeakPolarHBondContact CG-OE1 3.26Å; R112-E116 WeakPolarHBondContact O-CG 3.12Å; R112-E116 PolarHBondContact O-N 2.95Å; R113-E116 PolarHBondContact O-N 3.35Å; E116-S118 VanDerWaalsContact C-N 3.26Å; E116-S118 PolarHBondContact O-N 2.84Å; E116-V119 PolarHBondContact O-N 3.29Å; E116-K120 WeakPolarHBondContact O-CB 3.41Å; E116-K120 PolarHBondContact O-N 3.46Å
117S76.9Confident75.2Confident45 Ų4584.5 Ų84.532%0.31544%0.443SS..Hα-helixtrans-62.6-36.3174720000111.5R113 V114 S121R113-S117 VanDerWaalsContact O-CB 3.27Å; R113-S117 WeakPolarHBondContact O-CB 3.25Å; R113-S117 PolarHBondContact O-N 2.92Å; R113-S117 PolarHBondContact O-OG 3.49Å; V114-S117 WeakPolarHBondContact CA-OG 3.44Å; V114-S117 PolarHBondContact O-N 2.91Å; V114-S117 PolarHBondContact O-OG 3.41Å; S117-S121 VanDerWaalsContact O-CB 3.27Å; S117-S121 WeakPolarHBondContact O-CB 3.39Å; S117-S121 PolarHBondContact O-N 3.16Å; S117-S121 PolarHBondContact O-OG 3.47Å
118S74.9Confident73.5Confident32 Ų3288.4 Ų88.422%0.22446%0.456CS..Hα-helixtrans-60.7-53.7172.6152.10000111.3V114 A115 E116 K120 S121 L122 F132V114-S118 WeakPolarHBondContact O-CB 3.48Å; V114-S118 PolarHBondContact O-N 2.85Å; A115-S118 WeakPolarHBondContact O-CA 3.42Å; A115-S118 VanDerWaalsContact O-CB 3.25Å; A115-S118 WeakPolarHBondContact O-CB 3.43Å; A115-S118 PolarHBondContact O-N 3.41Å; E116-S118 VanDerWaalsContact C-N 3.26Å; E116-S118 PolarHBondContact O-N 2.84Å; S118-K120 PolarHBondContact O-N 3.42Å; S118-S121 WeakPolarHBondContact CA-OG 3.3Å; S118-S121 CarbonylContact O-C 3.55Å; S118-S121 WeakPolarHBondContact O-CA 3.37Å; S118-S121 PolarHBondContact O-N 2.89Å; S118-S121 PolarHBondContact O-OG 2.93Å; S118-L122 PolarHBondContact O-N 3.5Å; S118-F132 VanDerWaalsContact OG-CE1 3.28Å; S118-F132 WeakPolarHBondContact OG-CE1 3.4Å; S118-F132 WeakPolarHBondContact OG-CZ 3.24Å
119V78.4Confident71.9Confident102 Ų10283.7 Ų83.762%0.61846%0.457SS*.Hα-helixtrans-60.5-42.6178.31740000111.8A115 E116 S121 L122 S123A115-V119 WeakPolarHBondContact O-CG2 3.45Å; A115-V119 PolarHBondContact O-N 3.39Å; E116-V119 PolarHBondContact O-N 3.29Å; V119-S121 PolarHBondContact O-N 3.48Å; V119-L122 PolarHBondContact O-N 3.3Å; V119-S123 PolarHBondContact O-N 3.08Å
120K76.5Confident70.4Confident149 Ų14991.1 Ų91.165%0.64849%0.492SS*.Hα-helixtrans-64.8-27.7175.6-168.7176.2-179.5-177.50112.5E116 S118 S123 T124E116-K120 WeakPolarHBondContact O-CB 3.41Å; E116-K120 PolarHBondContact O-N 3.46Å; S118-K120 PolarHBondContact O-N 3.42Å; K120-S123 PolarHBondContact O-OG 3.31Å; K120-S123 VanDerWaalsContact O-OG 3.12Å; K120-T124 PolarHBondContact O-OG1 2.96Å
121S68Low68.8Low39 Ų3995 Ų9527%0.27352%0.519SS..Hα-helixtrans-85.1-21.3174.872.10000114.1S117 S118 V119 S125 F132 R178S117-S121 VanDerWaalsContact O-CB 3.27Å; S117-S121 WeakPolarHBondContact O-CB 3.39Å; S117-S121 PolarHBondContact O-N 3.16Å; S117-S121 PolarHBondContact O-OG 3.47Å; S118-S121 WeakPolarHBondContact CA-OG 3.3Å; S118-S121 CarbonylContact O-C 3.55Å; S118-S121 WeakPolarHBondContact O-CA 3.37Å; S118-S121 PolarHBondContact O-N 2.89Å; S118-S121 PolarHBondContact O-OG 2.93Å; V119-S121 PolarHBondContact O-N 3.48Å; S121-S125 PolarHBondContact O-OG 2.72Å; S121-F132 VanDerWaalsContact OG-CE2 3.23Å; S121-F132 WeakPolarHBondContact OG-CE2 3.49Å; S121-F132 WeakPolarHBondContact OG-CZ 3.32Å; S121-R178 VanDerWaalsContact C-NH2 3.31Å; S121-R178 PolarHBondContact O-NH2 2.84Å
122L66.5Low67.1Low101 Ų10193.5 Ų93.553%0.52951%0.509SS..Hα-helixtrans-79.1-37.5170.7-121.669.3000111.9S118 V119 T124 S125 F132S118-L122 PolarHBondContact O-N 3.5Å; V119-L122 PolarHBondContact O-N 3.3Å; L122-T124 PolarHBondContact O-N 2.82Å; L122-S125 PolarHBondContact O-N 2.74Å; L122-F132 HydrophobicContact CD1-CE1 4.44Å; L122-F132 HydrophobicContact CD1-CE2 4.02Å; L122-F132 HydrophobicContact CD1-CZ 3.92Å
123S65.4Low66Low88 Ų8895.1 Ų95.162%0.61552%0.522SS*.THydrogen-bonded Turntrans-66.4-10.1-176.667.40000115.4V119 K120V119-S123 PolarHBondContact O-N 3.08Å; K120-S123 PolarHBondContact O-OG 3.31Å; K120-S123 VanDerWaalsContact O-OG 3.12Å
124T63.5Low65.2Low93 Ų9395.5 Ų95.557%0.57153%0.53SS*.THydrogen-bonded Turntrans-130.114-180320000114.1K120 L122 R178K120-T124 PolarHBondContact O-OG1 2.96Å; L122-T124 PolarHBondContact O-N 2.82Å; T124-R178 VanDerWaalsContact CB-NH2 3.32Å; T124-R178 VanDerWaalsContact O-CZ 3.23Å; T124-R178 PolarHBondContact O-NE 2.94Å; T124-R178 PolarHBondContact O-NH1 2.81Å; T124-R178 VanDerWaalsContact OG1-CZ 3.25Å; T124-R178 PolarHBondContact OG1-NE 3.33Å; T124-R178 PolarHBondContact OG1-NH2 3.42Å
125S55.2Low64.6Low56 Ų5698.7 Ų98.739%0.39255%0.55SS..  trans-162.5124.6162.753.70000110.5S121 L122 R178S121-S125 PolarHBondContact O-OG 2.72Å; L122-S125 PolarHBondContact O-N 2.74Å; S125-R178 PolarHBondContact OG-NH1 3.39Å
126L56.7Low63.9Low163 Ų16397.6 Ų97.685%0.85354%0.541SS*.  trans-92.2-10.2-171.1-96.4164.7000116
127D53.4Low63.4Low143 Ų14398.9 Ų98.977%0.76555%0.545SS*.  trans-114.8143.2-172.2-63.8-54.1000113.9
128K52Low63Low162 Ų162102.1 Ų102.170%0.70456%0.555SS**  trans90.783.8176.6-54167.2-174.41680116.7
129A53.3Low62.8Low84 Ų84101.7 Ų101.769%0.69455%0.549SS*.SBendtrans-75.4-35.9174.200000115.1C131 F132A129-C131 PolarHBondContact O-N 2.89Å; A129-F132 WeakPolarHBondContact O-CB 3.42Å; A129-F132 PolarHBondContact O-N 3.3Å; A129-F132 VanDerWaalsContact O-N 3.09Å
130E52.4Low62.5Low182 Ų18298.7 Ų98.785%0.8553%0.53SS*.Hα-helixtrans-73.9-24.2-170.7-64.2-175.8160.900114.5F132E130-F132 PolarHBondContact O-N 2.89Å
131C50.5Low62.3Low85 Ų8595 Ų9557%0.57452%0.516SS*.Hα-helixtrans-74.2-10.6172.7-164.80000112.3A129 T135A129-C131 PolarHBondContact O-N 2.89Å; C131-T135 PolarHBondContact O-N 2.92Å; C131-T135 PolarHBondContact O-OG1 3.41Å
132F52.6Low62.3Low56 Ų56100.1 Ų100.125%0.24653%0.53CS..Hα-helixtrans-87.8-45.2-162.8-163.4-102.9000114.2S118 S121 L122 A129 E130 N134 T135 A136S118-F132 VanDerWaalsContact OG-CE1 3.28Å; S118-F132 WeakPolarHBondContact OG-CE1 3.4Å; S118-F132 WeakPolarHBondContact OG-CZ 3.24Å; S121-F132 VanDerWaalsContact OG-CE2 3.23Å; S121-F132 WeakPolarHBondContact OG-CE2 3.49Å; S121-F132 WeakPolarHBondContact OG-CZ 3.32Å; L122-F132 HydrophobicContact CD1-CE1 4.44Å; L122-F132 HydrophobicContact CD1-CE2 4.02Å; L122-F132 HydrophobicContact CD1-CZ 3.92Å; A129-F132 WeakPolarHBondContact O-CB 3.42Å; A129-F132 PolarHBondContact O-N 3.3Å; A129-F132 VanDerWaalsContact O-N 3.09Å; E130-F132 PolarHBondContact O-N 2.89Å; F132-N134 VanDerWaalsContact C-N 3.26Å; F132-N134 PolarHBondContact O-N 2.84Å; F132-T135 CarbonylContact O-C 3.47Å; F132-T135 WeakPolarHBondContact O-CA 3.41Å; F132-T135 WeakPolarHBondContact O-CB 3.38Å; F132-T135 PolarHBondContact O-N 3.3Å; F132-A136 PolarHBondContact O-N 3.17Å
133E60.6Low62.3Low160 Ų16097.2 Ų97.275%0.74851%0.512SS*.Hα-helixtrans-58.2-41.8176.1-73.6-156.5145.600111.6T135 A136 K137E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.03Å; E133-A136 PolarHBondContact O-N 3.32Å; E133-K137 VanDerWaalsContact O-CB 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.43Å; E133-K137 PolarHBondContact O-N 3.26Å
134N65.3Low62.4Low93 Ų9396.5 Ų96.550%0.49750%0.501SS..Hα-helixtrans-59.1-46.2173.3-76.1-50.4000110.7F132 K137 H138F132-N134 VanDerWaalsContact C-N 3.26Å; F132-N134 PolarHBondContact O-N 2.84Å; N134-K137 PolarHBondContact O-N 3.31Å; N134-H138 WeakPolarHBondContact O-CB 3.47Å; N134-H138 PolarHBondContact O-N 2.91Å; N134-H138 PolarHBondContact O-ND1 3.26Å
135T70.6Confident62.2Low81 Ų81100.1 Ų100.150%0.49750%0.504SS..Hα-helixtrans-61-46.8177.7-57.30000111.9C131 F132 E133 H138 E139C131-T135 PolarHBondContact O-N 2.92Å; C131-T135 PolarHBondContact O-OG1 3.41Å; F132-T135 CarbonylContact O-C 3.47Å; F132-T135 WeakPolarHBondContact O-CA 3.41Å; F132-T135 WeakPolarHBondContact O-CB 3.38Å; F132-T135 PolarHBondContact O-N 3.3Å; E133-T135 VanDerWaalsContact C-N 3.33Å; E133-T135 PolarHBondContact O-N 3.03Å; T135-H138 PolarHBondContact O-N 3.47Å; T135-E139 WeakPolarHBondContact O-CB 3.24Å; T135-E139 PolarHBondContact O-N 3.31Å
136A68.3Low62.1Low31 Ų31101.8 Ų101.826%0.25651%0.506SS..Hα-helixtrans-64.1-42178.400000112.6V114 F132 E133 E139 L140V114-A136 HydrophobicContact CG1-CB 4.15Å; F132-A136 PolarHBondContact O-N 3.17Å; E133-A136 PolarHBondContact O-N 3.32Å; A136-E139 PolarHBondContact O-N 3.35Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 PolarHBondContact O-N 3.12Å
137K70.7Confident61.7Low131 Ų13196.3 Ų96.357%0.5748%0.475SS*.Hα-helixtrans-63.4-42.7174.1-179.2178.6178.4179.40111.8E133 N134 L141E133-K137 VanDerWaalsContact O-CB 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.43Å; E133-K137 PolarHBondContact O-N 3.26Å; N134-K137 PolarHBondContact O-N 3.31Å; K137-L141 HydrophobicContact CG-CD1 4.08Å; K137-L141 VanDerWaalsContact O-CB 3.3Å; K137-L141 WeakPolarHBondContact O-CB 3.48Å; K137-L141 VanDerWaalsContact O-CG 3.22Å; K137-L141 WeakPolarHBondContact O-CG 3.11Å; K137-L141 PolarHBondContact O-N 2.86Å
138H68.2Low61.4Low113 Ų11393.8 Ų93.852%0.52347%0.469SS..Hα-helixtrans-69.2-35.1177.5-75.973.9000111.9N134 T135 R142N134-H138 WeakPolarHBondContact O-CB 3.47Å; N134-H138 PolarHBondContact O-N 2.91Å; N134-H138 PolarHBondContact O-ND1 3.26Å; T135-H138 PolarHBondContact O-N 3.47Å; H138-R142 WeakPolarHBondContact O-CB 3.42Å; H138-R142 PolarHBondContact O-N 3.32Å
139E69.7Low61Low24 Ų2487.9 Ų87.911%0.11245%0.445CS..Hα-helixtrans-69.1-44.5175.1-175.853.1-142.800111.9V114 T135 A136 R142 R143V114-E139 HydrophobicContact CG2-CG 4.45Å; T135-E139 WeakPolarHBondContact O-CB 3.24Å; T135-E139 PolarHBondContact O-N 3.31Å; A136-E139 PolarHBondContact O-N 3.35Å; E139-R142 WeakPolarHBondContact O-CB 3.39Å; E139-R142 PolarHBondContact O-N 3.21Å; E139-R142 WeakPolarHBondContact OE2-CD 3Å; E139-R142 IonicContact OE2-CZ 3.81Å; E139-R142 IonicContact OE2-NE 3.04Å; E139-R142 IonicContact OE2-NH1 3.52Å; E139-R142 PolarHBondContact OE2-NH1 3.37Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 WeakPolarHBondContact OE1-CG 3.43Å; E139-R143 IonicContact OE1-CZ 3.63Å; E139-R143 IonicContact OE1-NE 3.46Å; E139-R143 PolarHBondContact OE1-NE 3.05Å; E139-R143 IonicContact OE1-NH1 3.27Å; E139-R143 PolarHBondContact OE1-NH1 2.91Å; E139-R143 IonicContact OE1-NH2 2.69Å; E139-R143 PolarHBondContact OE1-NH2 2.99Å
140L72.7Confident60.4Low39 Ų3985.7 Ų85.720%0.20443%0.425CS..Hα-helixtrans-61-45.8173.2-177.5139.9000111.3L111 V114 A136 R142 R143 L144L111-L140 HydrophobicContact CD2-CD1 3.46Å; L111-L140 VanDerWaalsContact CD2-CD1 3.46Å; L111-L140 HydrophobicContact CG-CD1 4.2Å; V114-L140 HydrophobicContact CG2-CB 4.12Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 PolarHBondContact O-N 3.12Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 2.71Å; L140-R143 PolarHBondContact O-N 3.35Å; L140-L144 HydrophobicContact CD2-CD1 3.73Å; L140-L144 HydrophobicContact CG-CD1 3.88Å; L140-L144 VanDerWaalsContact O-CD1 3.23Å; L140-L144 WeakPolarHBondContact O-CD1 3.15Å; L140-L144 PolarHBondContact O-N 3.21Å
141L71.8Confident59.8Low70 Ų7085.4 Ų85.437%0.36642%0.417SS..Hα-helixtrans-64.2-36.3175.1-74.3172.1000112.2K137 R145K137-L141 HydrophobicContact CG-CD1 4.08Å; K137-L141 VanDerWaalsContact O-CB 3.3Å; K137-L141 WeakPolarHBondContact O-CB 3.48Å; K137-L141 VanDerWaalsContact O-CG 3.22Å; K137-L141 WeakPolarHBondContact O-CG 3.11Å; K137-L141 PolarHBondContact O-N 2.86Å; L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 WeakPolarHBondContact O-CG 3.37Å; L141-R145 PolarHBondContact O-N 2.76Å
142R68.2Low59.3Low147 Ų14783.8 Ų83.856%0.55540%0.401SS*.Hα-helixtrans-63-45.5175.1178.2-172.7-63.2162.1-5111.1H138 E139 L140 R145 Q146H138-R142 WeakPolarHBondContact O-CB 3.42Å; H138-R142 PolarHBondContact O-N 3.32Å; E139-R142 WeakPolarHBondContact O-CB 3.39Å; E139-R142 PolarHBondContact O-N 3.21Å; E139-R142 WeakPolarHBondContact OE2-CD 3Å; E139-R142 IonicContact OE2-CZ 3.81Å; E139-R142 IonicContact OE2-NE 3.04Å; E139-R142 IonicContact OE2-NH1 3.52Å; E139-R142 PolarHBondContact OE2-NH1 3.37Å; L140-R142 VanDerWaalsContact C-N 3.33Å; L140-R142 PolarHBondContact O-N 2.71Å; R142-R145 CarbonylContact O-C 3.56Å; R142-R145 PolarHBondContact O-N 3.47Å; R142-Q146 PolarHBondContact O-N 2.77Å; R142-Q146 VanDerWaalsContact O-N 3.09Å
143R68.1Low58.8Low40 Ų4083.8 Ų83.815%0.15141%0.411CS..Hα-helixtrans-71.5-37.2177.7-69.3-174.5171.5123.78.3113.3L110 E139 L140 Q146 R640L110-R143 HydrophobicContact CD2-CB 3.86Å; E139-R143 PolarHBondContact O-N 2.94Å; E139-R143 WeakPolarHBondContact OE1-CG 3.43Å; E139-R143 IonicContact OE1-CZ 3.63Å; E139-R143 IonicContact OE1-NE 3.46Å; E139-R143 PolarHBondContact OE1-NE 3.05Å; E139-R143 IonicContact OE1-NH1 3.27Å; E139-R143 PolarHBondContact OE1-NH1 2.91Å; E139-R143 IonicContact OE1-NH2 2.69Å; E139-R143 PolarHBondContact OE1-NH2 2.99Å; L140-R143 PolarHBondContact O-N 3.35Å; R143-Q146 WeakPolarHBondContact O-CB 3.39Å; R143-Q146 PolarHBondContact O-N 2.98Å; R143-R640 PolarHBondContact O-NH1 3.05Å; R143-R640 PolarHBondContact O-NH2 3.48Å
144L66.6Low58Low74 Ų7481.6 Ų81.639%0.38740%0.4SS..Hα-helixtrans-63-41.9168.2-92.589.7000111.4L110 L140 Q146 R640L110-L144 HydrophobicContact CD1-CD1 4.01Å; L110-L144 HydrophobicContact CD1-CG 4.41Å; L140-L144 HydrophobicContact CD2-CD1 3.73Å; L140-L144 HydrophobicContact CG-CD1 3.88Å; L140-L144 VanDerWaalsContact O-CD1 3.23Å; L140-L144 WeakPolarHBondContact O-CD1 3.15Å; L140-L144 PolarHBondContact O-N 3.21Å; L144-Q146 PolarHBondContact O-N 2.9Å; L144-R640 PolarHBondContact O-NH1 3.45Å
145R60.4Low57Low168 Ų16881.4 Ų81.463%0.63440%0.396SS*.THydrogen-bonded Turntrans-77.59.2177.2-70178.3176.7-151.31.5115.1L141 R142 Q147 S150L141-R145 WeakPolarHBondContact O-CB 3.24Å; L141-R145 WeakPolarHBondContact O-CG 3.37Å; L141-R145 PolarHBondContact O-N 2.76Å; R142-R145 CarbonylContact O-C 3.56Å; R142-R145 PolarHBondContact O-N 3.47Å; R145-Q147 PolarHBondContact O-N 3.15Å; R145-S150 PolarHBondContact O-N 3.46Å
146Q52.6Low55.6Low92 Ų9280.2 Ų80.243%0.4339%0.386SS..THydrogen-bonded Turntrans-73.313.4161-80.2173.1-4800113R142 R143 L144 R640R142-Q146 PolarHBondContact O-N 2.77Å; R142-Q146 VanDerWaalsContact O-N 3.09Å; R143-Q146 WeakPolarHBondContact O-CB 3.39Å; R143-Q146 PolarHBondContact O-N 2.98Å; L144-Q146 PolarHBondContact O-N 2.9Å; Q146-R640 VanDerWaalsContact CB-NH2 3.31Å
147Q47.8Very low54.9Low47 Ų4781.3 Ų81.322%0.2240%0.396CS..SBendtrans-40.9151.1136.8-62.3-93.1-89.400110.2A44 R145 D149 S150 D644A44-Q147 HydrophobicContact CB-CB 3.97Å; A44-Q147 VanDerWaalsContact CB-CD 3.5Å; A44-Q147 HydrophobicContact CB-CG 4.28Å; R145-Q147 PolarHBondContact O-N 3.15Å; Q147-D149 HydrophobicContact CB-CB 3.9Å; Q147-D149 PolarHBondContact O-N 3.46Å; Q147-S150 PolarHBondContact O-N 2.69Å; Q147-D644 PolarHBondContact NE2-OD2 3.4Å
148S47Very low54.2Low90 Ų9083.7 Ų83.763%0.62941%0.406SS*.THydrogen-bonded Turntrans-55.6-18.4178.8-44.80000113.2S150 Y151 Q152S148-S150 PolarHBondContact O-N 2.97Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S148-Y151 PolarHBondContact O-N 3.11Å; S148-Q152 PolarHBondContact O-N 3.44Å
149D44.8Very low53.1Low39 Ų3982.5 Ų82.521%0.20940%0.402CS..Hα-helixtrans-37.5-32.5160.4-5621.6000115.3A44 A45 Q147 Y151 A153A44-D149 WeakPolarHBondContact CB-OD1 3.4Å; A45-D149 VanDerWaalsContact CA-OD1 3.25Å; A45-D149 WeakPolarHBondContact CA-OD1 3.45Å; A45-D149 VanDerWaalsContact CB-OD1 3.32Å; A45-D149 WeakPolarHBondContact CB-OD1 3.32Å; A45-D149 PolarHBondContact N-OD1 3.04Å; A45-D149 VanDerWaalsContact N-OD1 3.16Å; Q147-D149 HydrophobicContact CB-CB 3.9Å; Q147-D149 PolarHBondContact O-N 3.46Å; D149-Y151 VanDerWaalsContact C-N 3.29Å; D149-Y151 PolarHBondContact O-N 3.34Å; D149-A153 VanDerWaalsContact O-CA 3.31Å; D149-A153 WeakPolarHBondContact O-CA 3.31Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.17Å
150S39.4Very low51.7Low38 Ų3887.5 Ų87.527%0.26642%0.423SS..Hα-helixtrans-65.2-34.4175.2179.20000112.5R145 Q147 S148 K154R145-S150 PolarHBondContact O-N 3.46Å; Q147-S150 PolarHBondContact O-N 2.69Å; S148-S150 PolarHBondContact O-N 2.97Å; S148-S150 VanDerWaalsContact O-N 3.09Å; S150-K154 WeakPolarHBondContact O-CD 3.4Å; S150-K154 VanDerWaalsContact O-CE 3.24Å; S150-K154 WeakPolarHBondContact O-CE 3.13Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact OG-NZ 3.35Å
151Y40.8Very low50.1Low176 Ų17689.1 Ų89.169%0.6944%0.438SS*.Hα-helixtrans-86.8-49.9173.9-72.3-82.7000110.3S148 D149 A153 K154 E155S148-Y151 PolarHBondContact O-N 3.11Å; D149-Y151 VanDerWaalsContact C-N 3.29Å; D149-Y151 PolarHBondContact O-N 3.34Å; Y151-A153 PolarHBondContact O-N 2.79Å; Y151-K154 WeakPolarHBondContact O-CB 3.44Å; Y151-K154 PolarHBondContact O-N 3.42Å; Y151-K154 VanDerWaalsContact O-N 3.09Å; Y151-E155 PolarHBondContact O-N 2.72Å
152Q39.8Very low48.2Very low50 Ų5089.3 Ų89.323%0.23445%0.45CS..Hα-helixtrans-64.3-39.4-179.1-166.863.157.100112.3S148 K154 E155 D156S148-Q152 PolarHBondContact O-N 3.44Å; Q152-K154 VanDerWaalsContact C-N 3.31Å; Q152-K154 PolarHBondContact O-N 3Å; Q152-E155 CarbonylContact O-C 3.52Å; Q152-E155 PolarHBondContact O-N 2.66Å; Q152-D156 PolarHBondContact NE2-OD1 2.93Å; Q152-D156 VanDerWaalsContact O-CB 3.26Å; Q152-D156 WeakPolarHBondContact O-CB 3.39Å; Q152-D156 PolarHBondContact O-N 2.89Å
153A41.2Very low46.6Very low56 Ų5688.3 Ų88.346%0.46346%0.462SS..Hα-helixtrans-74.1-19.5175.400000113.3D149 Y151 A157D149-A153 VanDerWaalsContact O-CA 3.31Å; D149-A153 WeakPolarHBondContact O-CA 3.31Å; D149-A153 WeakPolarHBondContact O-CB 3.46Å; D149-A153 PolarHBondContact O-N 3.17Å; Y151-A153 PolarHBondContact O-N 2.79Å; A153-A157 WeakPolarHBondContact O-CB 3.28Å; A153-A157 PolarHBondContact O-N 2.98Å
154K44.6Very low44.9Very low115 Ų11591.7 Ų91.750%0.549%0.492SS..Hα-helixtrans-75.3-36.9166.8-76.8171.2-163.1153.50111.1S150 Y151 Q152 K158S150-K154 WeakPolarHBondContact O-CD 3.4Å; S150-K154 VanDerWaalsContact O-CE 3.24Å; S150-K154 WeakPolarHBondContact O-CE 3.13Å; S150-K154 WeakPolarHBondContact O-CG 3.37Å; S150-K154 PolarHBondContact OG-NZ 3.35Å; Y151-K154 WeakPolarHBondContact O-CB 3.44Å; Y151-K154 PolarHBondContact O-N 3.42Å; Y151-K154 VanDerWaalsContact O-N 3.09Å; Q152-K154 VanDerWaalsContact C-N 3.31Å; Q152-K154 PolarHBondContact O-N 3Å; K154-K158 VanDerWaalsContact O-CG 3.26Å; K154-K158 WeakPolarHBondContact O-CG 2.93Å; K154-K158 PolarHBondContact O-N 2.97Å
155E43.7Very low43.2Very low88 Ų8896.8 Ų96.841%0.41151%0.514SS..Hα-helixtrans-69.6-47.3172.2-70.2-169.1168.300111.2Y151 Q152 A157 K158 M159Y151-E155 PolarHBondContact O-N 2.72Å; Q152-E155 CarbonylContact O-C 3.52Å; Q152-E155 PolarHBondContact O-N 2.66Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 3.12Å; E155-K158 CarbonylContact O-C 3.52Å; E155-K158 WeakPolarHBondContact O-CA 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.38Å; E155-K158 PolarHBondContact O-N 2.9Å; E155-M159 WeakPolarHBondContact O-CB 3.31Å; E155-M159 PolarHBondContact O-N 3.2Å
156D41.9Very low41.7Very low56 Ų5696.3 Ų96.330%0.29952%0.524SS..Hα-helixtrans-61.5-35.1174.3-65.7-6.6000111.5Q152 M159 F160Q152-D156 PolarHBondContact NE2-OD1 2.93Å; Q152-D156 VanDerWaalsContact O-CB 3.26Å; Q152-D156 WeakPolarHBondContact O-CB 3.39Å; Q152-D156 PolarHBondContact O-N 2.89Å; D156-M159 PolarHBondContact O-N 2.93Å; D156-F160 HydrophobicContact CB-CD2 3.78Å; D156-F160 HydrophobicContact CB-CE2 4.12Å; D156-F160 WeakPolarHBondContact O-CA 3.5Å; D156-F160 VanDerWaalsContact O-CB 3.28Å; D156-F160 WeakPolarHBondContact O-CB 3.4Å; D156-F160 WeakPolarHBondContact O-CD2 3.45Å; D156-F160 PolarHBondContact O-N 2.84Å
157A52.5Low40.6Very low55 Ų5597.6 Ų97.646%0.45554%0.543SS..Hα-helixtrans-66.9-38169.800000111.9A153 E155 M159 S161A153-A157 WeakPolarHBondContact O-CB 3.28Å; A153-A157 PolarHBondContact O-N 2.98Å; E155-A157 VanDerWaalsContact C-N 3.29Å; E155-A157 PolarHBondContact O-N 3.12Å; A157-M159 VanDerWaalsContact C-N 3.35Å; A157-S161 WeakPolarHBondContact O-CA 3.44Å; A157-S161 WeakPolarHBondContact O-CB 3.26Å; A157-S161 PolarHBondContact O-N 2.86Å; A157-S161 VanDerWaalsContact O-N 3.12Å
158K56.8Low39.5Very low180 Ų180101 Ų10178%0.78357%0.567SS**Hα-helixtrans-71.6-26.8172.6-71.7169.3179.6-179.10113.4K154 E155K154-K158 VanDerWaalsContact O-CG 3.26Å; K154-K158 WeakPolarHBondContact O-CG 2.93Å; K154-K158 PolarHBondContact O-N 2.97Å; E155-K158 CarbonylContact O-C 3.52Å; E155-K158 WeakPolarHBondContact O-CA 3.34Å; E155-K158 WeakPolarHBondContact O-CB 3.38Å; E155-K158 PolarHBondContact O-N 2.9Å
159M44Very low38.5Very low89 Ų89101.8 Ų101.844%0.43857%0.573SS.*Hα-helixtrans-95.2-33-172.3-168.6-174.6-153.800112.8E155 D156 A157 E938E155-M159 WeakPolarHBondContact O-CB 3.31Å; E155-M159 PolarHBondContact O-N 3.2Å; D156-M159 PolarHBondContact O-N 2.93Å; A157-M159 VanDerWaalsContact C-N 3.35Å; M159-E938 HydrophobicContact CE-CG 3.86Å
160F41.7Very low37.8Very low128 Ų128106.4 Ų106.456%0.56160%0.602SS**Hα-helixtrans-120.8-15.7-174.5-55.6-64.4000114.7D156D156-F160 HydrophobicContact CB-CD2 3.78Å; D156-F160 HydrophobicContact CB-CE2 4.12Å; D156-F160 WeakPolarHBondContact O-CA 3.5Å; D156-F160 VanDerWaalsContact O-CB 3.28Å; D156-F160 WeakPolarHBondContact O-CB 3.4Å; D156-F160 WeakPolarHBondContact O-CD2 3.45Å; D156-F160 PolarHBondContact O-N 2.84Å
161S37.8Very low37.3Very low74 Ų74109.1 Ų109.152%0.51763%0.627SS.*SBendtrans-74.7129.2166.2-162.70000108.8A157A157-S161 WeakPolarHBondContact O-CA 3.44Å; A157-S161 WeakPolarHBondContact O-CB 3.26Å; A157-S161 PolarHBondContact O-N 2.86Å; A157-S161 VanDerWaalsContact O-N 3.12Å
162A33.2Very low36.6Very low74 Ų74105.9 Ų105.961%0.61263%0.629SS**  trans-58.2148.6169.600000109.8S164A162-S164 PolarHBondContact O-N 3.27Å
163P33.8Very low36Very low126 Ų126109.9 Ų109.982%0.81865%0.652SS**  trans-60.1100.4170.8-22.533.8000110Q165P163-Q165 PolarHBondContact O-N 2.89Å
164S32.9Very low35.5Very low110 Ų110113.8 Ų113.877%0.76967%0.665SS**  trans-62.5107.5168.7-63.80000107.5A162A162-S164 PolarHBondContact O-N 3.27Å
165Q31Very low35Very low181 Ų181115.2 Ų115.285%0.84668%0.678SS**  trans-58.6145.5176.2-69.5-169.3-23.700110.5P163 S167P163-Q165 PolarHBondContact O-N 2.89Å; Q165-S167 PolarHBondContact O-N 2.85Å
166D27.5Very low34.8Very low159 Ų159117.9 Ų117.985%0.8570%0.695SS**  trans-55.6105.6-174.8-56.4-75.5000112.6
167S30.5Very low34.9Very low119 Ų119122.3 Ų122.383%0.83272%0.719SS**  trans-99.484.9158.851.80000109.3Q165Q165-S167 PolarHBondContact O-N 2.85Å
168T24.2Very low34.4Very low118 Ų118125.1 Ų125.172%0.72472%0.718SS**  trans-53154.2170.146.80000112.9
169S26.1Very low33.2Very low107 Ų107122.7 Ų122.775%0.74871%0.711SS**  trans74.897.3167.174.10000118.1
170T30.7Very low32.6Very low135 Ų135123.3 Ų123.383%0.82872%0.715SS**  -137.8110.6108.7-68.40000107.8
171A27.9Very low32.7Very low95 Ų95121.9 Ų121.979%0.78572%0.721SS**  trans-88.4121.4172.500000108.9
172C25.9Very low32.7Very low108 Ų108125 Ų12573%0.7373%0.728SS**  trans-142.579.9166.756.40000111
173N27.4Very low32.9Very low135 Ų135126.6 Ų126.672%0.72272%0.721SS**  trans45.1113.3139.6-56.2-17000120.3
174N31.1Very low33.4Very low138 Ų138121.1 Ų121.174%0.73869%0.687SS**  44.889.5126.6-57.6-3.5000119.1
175D35.3Very low34Very low145 Ų145117.9 Ų117.978%0.77567%0.67SS**  trans-139.967.7150.8-89.8-37.4000108.3
176N38.9Very low34.7Very low143 Ų143114.6 Ų114.677%0.76566%0.658SS**  trans-86.9-0.9-165.9-92.4-12.1000116.1
177D43.3Very low37Very low150 Ų150110.8 Ų110.880%0.80264%0.635SS**SBendtrans-105.423.1-161.5-138.66000115.3
178R41.9Very low39.5Very low113 Ų113108.7 Ų108.743%0.42661%0.609SS.*SBendtrans-146-0.9-178-156.3130.4153.8-90.1-1.4118.3S121 T124 S125 L180S121-R178 VanDerWaalsContact C-NH2 3.31Å; S121-R178 PolarHBondContact O-NH2 2.84Å; T124-R178 VanDerWaalsContact CB-NH2 3.32Å; T124-R178 VanDerWaalsContact O-CZ 3.23Å; T124-R178 PolarHBondContact O-NE 2.94Å; T124-R178 PolarHBondContact O-NH1 2.81Å; T124-R178 VanDerWaalsContact OG1-CZ 3.25Å; T124-R178 PolarHBondContact OG1-NE 3.33Å; T124-R178 PolarHBondContact OG1-NH2 3.42Å; S125-R178 PolarHBondContact OG-NH1 3.39Å; R178-L180 VanDerWaalsContact C-N 3.3Å
179M32.4Very low42.3Very low130 Ų130104.5 Ų104.564%0.6458%0.582SS**  trans-84.72.1171.5-81.7-137.673.100114.3S181 K183M179-S181 VanDerWaalsContact C-N 3.3Å; M179-S181 PolarHBondContact O-N 3.46Å; M179-S181 VanDerWaalsContact O-N 3.11Å; M179-K183 WeakPolarHBondContact O-CB 3.27Å
180L31.4Very low45Very low101 Ų101104.9 Ų104.953%0.52957%0.572SS.*THydrogen-bonded Turntrans-85.229.2-165.6-57.5178.6000115.6R178 A184R178-L180 VanDerWaalsContact C-N 3.3Å; L180-A184 WeakPolarHBondContact O-CB 3.45Å
181S42.5Very low47.6Very low99 Ų99101.8 Ų101.869%0.69255%0.55SS**THydrogen-bonded Turntrans-110.8-52.8174.1-175.80000112.6M179M179-S181 VanDerWaalsContact C-N 3.3Å; M179-S181 PolarHBondContact O-N 3.46Å; M179-S181 VanDerWaalsContact O-N 3.11Å
182E38.3Very low50.4Low140 Ų14097.3 Ų97.365%0.65451%0.513SS*.Hα-helixtrans-86-29.7-178.7-150.8169-141.700111.1
183K37.4Very low53.2Low106 Ų10697.4 Ų97.446%0.46150%0.498SS..Hα-helixtrans-74.7-33.4175.7-143.5172.2-172-178.50113M179 G185 L186 E187M179-K183 WeakPolarHBondContact O-CB 3.27Å; K183-G185 PolarHBondContact O-N 3.04Å; K183-L186 WeakPolarHBondContact O-CB 3.21Å; K183-L186 PolarHBondContact O-N 3.35Å; K183-E187 PolarHBondContact O-N 3.12Å
184A45.4Very low55.8Low12 Ų1296.1 Ų96.110%0.09949%0.491CS..Hα-helixtrans-58.7-36.2176.400000112.3L180 L186 E187 Y188L180-A184 WeakPolarHBondContact O-CB 3.45Å; A184-L186 VanDerWaalsContact C-N 3.29Å; A184-L186 PolarHBondContact O-N 3.11Å; A184-E187 PolarHBondContact O-N 3.07Å; A184-Y188 HydrophobicContact CB-CD2 4.4Å; A184-Y188 HydrophobicContact CB-CE2 3.85Å; A184-Y188 WeakPolarHBondContact O-CD2 3.41Å; A184-Y188 VanDerWaalsContact O-CG 3.29Å; A184-Y188 PolarHBondContact O-N 2.92Å
185G45.4Very low58.4Low41 Ų4191.2 Ų91.242%0.42346%0.463SS..Hα-helixtrans-59.3-38.1174.200000113.1K183 D189K183-G185 PolarHBondContact O-N 3.04Å; G185-D189 WeakPolarHBondContact O-CB 3.48Å; G185-D189 PolarHBondContact O-N 2.78Å
186L45.3Very low60.7Low112 Ų11284.5 Ų84.559%0.58643%0.427SS*.Hα-helixtrans-74.9-41175.7-62.9174.5000111.9K183 A184 Y188 D189 E190K183-L186 WeakPolarHBondContact O-CB 3.21Å; K183-L186 PolarHBondContact O-N 3.35Å; A184-L186 VanDerWaalsContact C-N 3.29Å; A184-L186 PolarHBondContact O-N 3.11Å; L186-Y188 PolarHBondContact O-N 2.92Å; L186-D189 WeakPolarHBondContact O-CB 3.27Å; L186-D189 PolarHBondContact O-N 3.44Å; L186-D189 VanDerWaalsContact O-N 3.15Å; L186-E190 WeakPolarHBondContact O-CG 3.47Å; L186-E190 PolarHBondContact O-N 3.21Å
187E75.7Confident62.5Low79 Ų7982.8 Ų82.837%0.36942%0.418SS..Hα-helixtrans-62.3-40.2177.8-70.2166.9-168.700112K183 A184 E190 L191K183-E187 PolarHBondContact O-N 3.12Å; A184-E187 PolarHBondContact O-N 3.07Å; E187-E190 PolarHBondContact O-N 3.1Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 2.86Å
188Y83.8Confident64Low76 Ų7678.9 Ų78.930%0.29841%0.407SS..Hα-helixtrans-70.6-31.7173.6-59.9-46.7000112.9A184 L186 L191 A192 P220 P222 A223A184-Y188 HydrophobicContact CB-CD2 4.4Å; A184-Y188 HydrophobicContact CB-CE2 3.85Å; A184-Y188 WeakPolarHBondContact O-CD2 3.41Å; A184-Y188 VanDerWaalsContact O-CG 3.29Å; A184-Y188 PolarHBondContact O-N 2.92Å; L186-Y188 PolarHBondContact O-N 2.92Å; Y188-L191 HydrophobicContact CD1-CD1 4.37Å; Y188-A192 VanDerWaalsContact O-CB 3.26Å; Y188-A192 WeakPolarHBondContact O-CB 3.35Å; Y188-A192 PolarHBondContact O-N 2.86Å; Y188-P220 HydrophobicContact CD1-CB 4.04Å; Y188-P220 HydrophobicContact CD1-CG 4.23Å; Y188-P220 HydrophobicContact CE1-CB 3.63Å; Y188-P220 HydrophobicContact CE1-CG 3.88Å; Y188-P222 HydrophobicContact CD1-CB 4.43Å; Y188-P222 HydrophobicContact CD2-CB 3.56Å; Y188-P222 HydrophobicContact CD2-CG 4.13Å; Y188-P222 HydrophobicContact CE2-CB 3.86Å; Y188-P222 HydrophobicContact CE2-CG 3.88Å; Y188-P222 HydrophobicContact CG-CB 3.9Å; Y188-A223 HydrophobicContact CD1-CB 4.14Å; Y188-A223 HydrophobicContact CG-CB 4.5Å
189D82.6Confident65.2Low30 Ų3075.2 Ų75.216%0.1639%0.394CS..Hα-helixtrans-67.2-37.8173.2-116.853.9000111.8G185 L186 R193 R226G185-D189 WeakPolarHBondContact O-CB 3.48Å; G185-D189 PolarHBondContact O-N 2.78Å; L186-D189 WeakPolarHBondContact O-CB 3.27Å; L186-D189 PolarHBondContact O-N 3.44Å; L186-D189 VanDerWaalsContact O-N 3.15Å; D189-R193 WeakPolarHBondContact O-CG 3.45Å; D189-R193 PolarHBondContact O-N 3.3Å; D189-R193 VanDerWaalsContact O-N 3.11Å; D189-R193 PolarHBondContact O-NH1 3.19Å; D189-R193 IonicContact OD2-CZ 2.7Å; D189-R193 IonicContact OD2-NH1 3.4Å; D189-R193 PolarHBondContact OD2-NH1 3.03Å; D189-R193 IonicContact OD2-NH2 2.82Å; D189-R193 PolarHBondContact OD2-NH2 3Å; D189-R226 WeakPolarHBondContact OD1-CD 3.5Å; D189-R226 WeakPolarHBondContact OD1-CG 3.48Å; D189-R226 IonicContact OD1-CZ 3.37Å; D189-R226 IonicContact OD1-NE 3.34Å; D189-R226 PolarHBondContact OD1-NE 3.26Å; D189-R226 IonicContact OD1-NH2 2.72Å; D189-R226 PolarHBondContact OD1-NH2 3.2Å; D189-R226 IonicContact OD2-CZ 2.7Å; D189-R226 IonicContact OD2-NE 2.89Å; D189-R226 IonicContact OD2-NH2 3.27Å; D189-R226 PolarHBondContact OD2-NH2 3.12Å
190E81.8Confident66.9Low114 Ų11473.9 Ų73.953%0.53338%0.382SS..Hα-helixtrans-68.3-50.2174-73.9173.4-174.200110.9L186 E187 A192 R193 D194L186-E190 WeakPolarHBondContact O-CG 3.47Å; L186-E190 PolarHBondContact O-N 3.21Å; E187-E190 PolarHBondContact O-N 3.1Å; E190-A192 VanDerWaalsContact C-N 3.25Å; E190-A192 PolarHBondContact O-N 3.12Å; E190-R193 PolarHBondContact O-N 3.14Å; E190-D194 PolarHBondContact O-N 2.89Å
191L85.5Confident68.1Low71 Ų7173.6 Ų73.637%0.37239%0.389SS..Hα-helixtrans-57.3-36.6174.6-72.5171.2000113.1E187 Y188 Y195 L219 P220 A223E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 2.86Å; Y188-L191 HydrophobicContact CD1-CD1 4.37Å; L191-Y195 WeakPolarHBondContact O-CB 3.33Å; L191-Y195 PolarHBondContact O-N 2.76Å; L191-L219 HydrophobicContact CB-CD2 4.44Å; L191-P220 HydrophobicContact CD1-CG 4.38Å; L191-A223 HydrophobicContact CB-CB 4.28Å
192A87.4Confident68.5Low0 Ų071.6 Ų71.60%038%0.375CS..Hα-helixtrans-69.6-37.4176.300000112.6Y188 E190 L196 R226 V227Y188-A192 VanDerWaalsContact O-CB 3.26Å; Y188-A192 WeakPolarHBondContact O-CB 3.35Å; Y188-A192 PolarHBondContact O-N 2.86Å; E190-A192 VanDerWaalsContact C-N 3.25Å; E190-A192 PolarHBondContact O-N 3.12Å; A192-L196 WeakPolarHBondContact O-CG 3.44Å; A192-L196 PolarHBondContact O-N 3.19Å; A192-R226 HydrophobicContact CB-CB 3.92Å; A192-R226 HydrophobicContact CB-CG 3.75Å; A192-V227 HydrophobicContact CB-CG2 3.62Å
193R84.6Confident69Low110 Ų11073 Ų7342%0.41539%0.387SS..Hα-helixtrans-68-48.2173.2-74.7-178.3-165.292.29.9111.4D189 E190 Y195 L196 D197 M230D189-R193 WeakPolarHBondContact O-CG 3.45Å; D189-R193 PolarHBondContact O-N 3.3Å; D189-R193 VanDerWaalsContact O-N 3.11Å; D189-R193 PolarHBondContact O-NH1 3.19Å; D189-R193 IonicContact OD2-CZ 2.7Å; D189-R193 IonicContact OD2-NH1 3.4Å; D189-R193 PolarHBondContact OD2-NH1 3.03Å; D189-R193 IonicContact OD2-NH2 2.82Å; D189-R193 PolarHBondContact OD2-NH2 3Å; E190-R193 PolarHBondContact O-N 3.14Å; R193-Y195 VanDerWaalsContact C-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.05Å; R193-L196 CarbonylContact O-C 3.57Å; R193-L196 PolarHBondContact O-N 3.14Å; R193-L196 VanDerWaalsContact O-N 3.07Å; R193-D197 WeakPolarHBondContact O-CB 3.34Å; R193-D197 PolarHBondContact O-N 3.4Å; R193-M230 HydrophobicContact CG-CE 4.06Å; R193-M230 HydrophobicContact CG-SD 4.22Å
194D81.7Confident69.4Low109 Ų10973.9 Ų73.958%0.58339%0.393SS*.Hα-helixtrans-59.1-41.2179.9-75.93000111.7E190 D197 A198E190-D194 PolarHBondContact O-N 2.89Å; D194-D197 PolarHBondContact O-N 2.91Å; D194-A198 VanDerWaalsContact O-CB 3.23Å; D194-A198 WeakPolarHBondContact O-CB 3.47Å; D194-A198 PolarHBondContact O-N 3.48Å
195Y84.9Confident69.8Low34 Ų3479.1 Ų79.113%0.13341%0.413CS..Hα-helixtrans-61.4-44.2174.1-179.3-93.1000112.3L191 R193 F199 V209 A215 F216 L219 V227L191-Y195 WeakPolarHBondContact O-CB 3.33Å; L191-Y195 PolarHBondContact O-N 2.76Å; R193-Y195 VanDerWaalsContact C-N 3.3Å; R193-Y195 PolarHBondContact O-N 3.05Å; Y195-F199 WeakPolarHBondContact O-CB 3.4Å; Y195-F199 PolarHBondContact O-N 3.46Å; Y195-F199 VanDerWaalsContact O-N 3.13Å; Y195-V209 HydrophobicContact CE1-CG1 4.46Å; Y195-A215 HydrophobicContact CE2-CB 4.14Å; Y195-F216 HydrophobicContact CE1-CD2 4.12Å; Y195-F216 HydrophobicContact CE2-CB 4.4Å; Y195-L219 HydrophobicContact CD1-CD1 4.4Å; Y195-L219 HydrophobicContact CD2-CD1 3.83Å; Y195-L219 HydrophobicContact CD2-CG 4.49Å; Y195-L219 HydrophobicContact CE2-CD1 4.45Å; Y195-L219 HydrophobicContact CG-CD1 3.81Å; Y195-V227 HydrophobicContact CD1-CG1 3.85Å; Y195-V227 HydrophobicContact CD1-CG2 4Å; Y195-V227 HydrophobicContact CE1-CG1 4.07Å; Y195-V227 HydrophobicContact CG-CG2 4.44Å
196L83.9Confident70.6Confident5 Ų579 Ų793%0.02640%0.401CS..Hα-helixtrans-72.1-37.5179.1-73.9174.5000112.6A192 R193 F199 Y200 V227 M230 L231A192-L196 WeakPolarHBondContact O-CG 3.44Å; A192-L196 PolarHBondContact O-N 3.19Å; R193-L196 CarbonylContact O-C 3.57Å; R193-L196 PolarHBondContact O-N 3.14Å; R193-L196 VanDerWaalsContact O-N 3.07Å; L196-F199 CarbonylContact O-C 3.59Å; L196-F199 WeakPolarHBondContact O-CA 3.15Å; L196-F199 WeakPolarHBondContact O-CB 3.32Å; L196-F199 PolarHBondContact O-N 2.88Å; L196-F199 VanDerWaalsContact O-N 3.14Å; L196-Y200 HydrophobicContact CB-CD2 4.31Å; L196-Y200 HydrophobicContact CB-CE2 3.95Å; L196-Y200 WeakPolarHBondContact O-CD2 3.36Å; L196-Y200 PolarHBondContact O-N 3.06Å; L196-V227 HydrophobicContact CD2-CG1 4.06Å; L196-V227 HydrophobicContact CG-CG1 4.25Å; L196-M230 HydrophobicContact CD1-CB 3.64Å; L196-M230 HydrophobicContact CD1-CE 4.04Å; L196-M230 HydrophobicContact CD1-CG 4.45Å; L196-M230 HydrophobicContact CD1-SD 4.07Å; L196-L231 HydrophobicContact CD2-CD1 4.33Å; L196-L231 HydrophobicContact CD2-CD2 3.69Å; L196-L231 HydrophobicContact CD2-CG 3.94Å
197D77.9Confident71.2Confident106 Ų10677.4 Ų77.457%0.56740%0.399SS*.Hα-helixtrans-71.7-37.5-179.7-153.146.8000111.2R193 D194 F199 Y200 S201R193-D197 WeakPolarHBondContact O-CB 3.34Å; R193-D197 PolarHBondContact O-N 3.4Å; D194-D197 PolarHBondContact O-N 2.91Å; D197-F199 VanDerWaalsContact C-N 3.27Å; D197-F199 PolarHBondContact O-N 3.49Å; D197-Y200 PolarHBondContact O-N 3.4Å; D197-S201 VanDerWaalsContact O-CB 3.27Å; D197-S201 WeakPolarHBondContact O-CB 3.25Å; D197-S201 PolarHBondContact O-N 3.4Å; D197-S201 PolarHBondContact O-OG 3.13Å
198A74Confident70.7Confident69 Ų6975.3 Ų75.357%0.5740%0.399SS*.Hα-helixtrans-62-34.1167.300000112.4D194D194-A198 VanDerWaalsContact O-CB 3.23Å; D194-A198 WeakPolarHBondContact O-CB 3.47Å; D194-A198 PolarHBondContact O-N 3.48Å
199F67.5Low70.1Confident35 Ų3572.5 Ų72.515%0.15439%0.39CS..Hα-helixtrans-73-45.2174.6-163.2-81.4000112.2Y195 L196 D197 S201 S202 Q204 V209Y195-F199 WeakPolarHBondContact O-CB 3.4Å; Y195-F199 PolarHBondContact O-N 3.46Å; Y195-F199 VanDerWaalsContact O-N 3.13Å; L196-F199 CarbonylContact O-C 3.59Å; L196-F199 WeakPolarHBondContact O-CA 3.15Å; L196-F199 WeakPolarHBondContact O-CB 3.32Å; L196-F199 PolarHBondContact O-N 2.88Å; L196-F199 VanDerWaalsContact O-N 3.14Å; D197-F199 VanDerWaalsContact C-N 3.27Å; D197-F199 PolarHBondContact O-N 3.49Å; F199-S201 VanDerWaalsContact C-N 3.29Å; F199-S201 PolarHBondContact O-N 2.94Å; F199-S202 PolarHBondContact O-N 3.39Å; F199-Q204 HydrophobicContact CE1-CB 4.41Å; F199-Q204 HydrophobicContact CZ-CB 4.35Å; F199-V209 HydrophobicContact CD1-CG2 3.73Å; F199-V209 HydrophobicContact CD2-CG2 4.39Å; F199-V209 HydrophobicContact CE1-CB 4.48Å; F199-V209 HydrophobicContact CE1-CG2 3.53Å; F199-V209 HydrophobicContact CE2-CB 4.45Å; F199-V209 HydrophobicContact CE2-CG2 4.21Å; F199-V209 HydrophobicContact CG-CG2 4.18Å; F199-V209 HydrophobicContact CZ-CB 4.27Å; F199-V209 HydrophobicContact CZ-CG2 3.8Å
200Y67.6Low69.9Low102 Ų10274.7 Ų74.740%0.440%0.401SS..Hα-helixtrans-67.8-25.9177.9-68.1-52.9000113.3L196 D197 S202 F206L196-Y200 HydrophobicContact CB-CD2 4.31Å; L196-Y200 HydrophobicContact CB-CE2 3.95Å; L196-Y200 WeakPolarHBondContact O-CD2 3.36Å; L196-Y200 PolarHBondContact O-N 3.06Å; D197-Y200 PolarHBondContact O-N 3.4Å; Y200-S202 PolarHBondContact O-N 2.96Å; Y200-F206 HydrophobicContact CE1-CD2 4.24Å
201S56Low69.8Low95 Ų9569.5 Ų69.566%0.66438%0.377SS*.THydrogen-bonded Turntrans-73-15.3174.1-63.20000113.6D197 F199D197-S201 VanDerWaalsContact O-CB 3.27Å; D197-S201 WeakPolarHBondContact O-CB 3.25Å; D197-S201 PolarHBondContact O-N 3.4Å; D197-S201 PolarHBondContact O-OG 3.13Å; F199-S201 VanDerWaalsContact C-N 3.29Å; F199-S201 PolarHBondContact O-N 2.94Å
202S52.4Low69.5Low58 Ų5869.1 Ų69.141%0.40638%0.375SS..SBendtrans-95.2126.2166.4-1710000107.2F199 Y200 Q204F199-S202 PolarHBondContact O-N 3.39Å; Y200-S202 PolarHBondContact O-N 2.96Å; S202-Q204 PolarHBondContact O-N 3.12Å
203D48.6Very low69.3Low170 Ų17071 Ų7191%0.90939%0.388SS*.  trans-66.727.3-172.8-71.7-55.5000115.4
204Q45.6Very low69.1Low124 Ų12472.3 Ų72.358%0.57940%0.404SS*.  trans-84.3123.8177.1-62.1-166.21300111.3F199 S202F199-Q204 HydrophobicContact CE1-CB 4.41Å; F199-Q204 HydrophobicContact CZ-CB 4.35Å; S202-Q204 PolarHBondContact O-N 3.12Å
205K54.5Low69.1Low121 Ų12169.8 Ų69.853%0.52640%0.398SS..  trans-53.4143.9-175.8-57.8-171.1178.1-1630111.8S207 G208 Q246 N248K205-S207 PolarHBondContact O-N 3.49Å; K205-G208 PolarHBondContact O-N 3.3Å; K205-Q246 PolarHBondContact NZ-O 2.85Å; K205-N248 PolarHBondContact NZ-OD1 2.72Å
206F60.6Low69.3Low40 Ų4068.2 Ų68.218%0.17539%0.392CS..G310 helixtrans-41.1-34.1-178.6-175.3-89000116.2Y200 G208 L231 T234 L235 L268Y200-F206 HydrophobicContact CE1-CD2 4.24Å; F206-G208 PolarHBondContact O-N 3.14Å; F206-L231 HydrophobicContact CE2-CD2 4.03Å; F206-L231 HydrophobicContact CZ-CD2 4.13Å; F206-L231 WeakPolarHBondContact CZ-O 3.37Å; F206-T234 VanDerWaalsContact CE2-OG1 3.27Å; F206-T234 WeakPolarHBondContact CE2-OG1 3.44Å; F206-T234 WeakPolarHBondContact CZ-OG1 3.46Å; F206-L235 HydrophobicContact CE1-CB 4.15Å; F206-L235 HydrophobicContact CE1-CD1 3.84Å; F206-L235 HydrophobicContact CE1-CG 4.49Å; F206-L235 HydrophobicContact CZ-CB 4.17Å; F206-L268 HydrophobicContact CD1-CD2 4.16Å; F206-L268 HydrophobicContact CE1-CD2 4.01Å
207S59Low69.4Low77 Ų7774.4 Ų74.454%0.53842%0.415SS..G310 helixtrans-72.3-3.3177.358.60000115.2K205K205-S207 PolarHBondContact O-N 3.49Å
208G65.8Low69.7Low36 Ų3673.4 Ų73.437%0.37142%0.421SS..G310 helixtrans-96.10.8-17500000115.4K205 F206 D210K205-G208 PolarHBondContact O-N 3.3Å; F206-G208 PolarHBondContact O-N 3.14Å; G208-D210 PolarHBondContact O-N 3.12Å
209V70.7Confident70.3Confident16 Ų1671.3 Ų71.310%0.09740%0.4CS..  trans-65.5104.4178.6-175.10000109.7Y195 F199 L211 L231Y195-V209 HydrophobicContact CE1-CG1 4.46Å; F199-V209 HydrophobicContact CD1-CG2 3.73Å; F199-V209 HydrophobicContact CD2-CG2 4.39Å; F199-V209 HydrophobicContact CE1-CB 4.48Å; F199-V209 HydrophobicContact CE1-CG2 3.53Å; F199-V209 HydrophobicContact CE2-CB 4.45Å; F199-V209 HydrophobicContact CE2-CG2 4.21Å; F199-V209 HydrophobicContact CG-CG2 4.18Å; F199-V209 HydrophobicContact CZ-CB 4.27Å; F199-V209 HydrophobicContact CZ-CG2 3.8Å; V209-L211 PolarHBondContact O-N 3.43Å; V209-L211 VanDerWaalsContact O-N 3.13Å; V209-L231 HydrophobicContact CB-CD1 4.37Å; V209-L231 HydrophobicContact CG1-CD1 3.9Å; V209-L231 HydrophobicContact CG2-CD2 4.04Å
210D77.5Confident71.4Confident77 Ų7772.1 Ų72.141%0.41241%0.409SS..  trans-78.397.2178.5-176.621.7000110.9G208 D212 S213G208-D210 PolarHBondContact O-N 3.12Å; D210-D212 PolarHBondContact O-N 3.32Å; D210-D212 VanDerWaalsContact O-N 3.13Å; D210-D212 PolarHBondContact OD1-N 2.69Å; D210-D212 VanDerWaalsContact OD1-N 3.11Å; D210-S213 WeakPolarHBondContact O-CB 3.12Å; D210-S213 PolarHBondContact O-N 2.87Å; D210-S213 PolarHBondContact OD2-N 2.8Å
211L80.9Confident72.4Confident4 Ų469 Ų692%0.02140%0.4CS..THydrogen-bonded Turntrans-64.1-9.1176.2-61.1169.8000113.6V209 F216 V228 L231 R271 L272 R275V209-L211 PolarHBondContact O-N 3.43Å; V209-L211 VanDerWaalsContact O-N 3.13Å; L211-F216 HydrophobicContact CD2-CE2 4.23Å; L211-F216 HydrophobicContact CD2-CZ 4.33Å; L211-F216 WeakPolarHBondContact O-CD1 3.49Å; L211-V228 HydrophobicContact CD2-CG2 4Å; L211-L231 HydrophobicContact CD2-CD1 4.18Å; L211-R271 HydrophobicContact CD1-CG 4.34Å; L211-L272 HydrophobicContact CD1-CD2 3.85Å; L211-L272 HydrophobicContact CD2-CD2 4.21Å; L211-R275 HydrophobicContact CD1-CB 4.35Å; L211-R275 HydrophobicContact CD1-CG 4.38Å
212D78.2Confident74Confident63 Ų6366.2 Ų66.234%0.33738%0.379SS..THydrogen-bonded Turntrans-102.8-2.8175.6-73.7-69.6000113.4D210 R217 R271D210-D212 PolarHBondContact O-N 3.32Å; D210-D212 VanDerWaalsContact O-N 3.13Å; D210-D212 PolarHBondContact OD1-N 2.69Å; D210-D212 VanDerWaalsContact OD1-N 3.11Å; D212-R217 WeakPolarHBondContact O-CD 3.16Å; D212-R217 PolarHBondContact O-NE 3.09Å; D212-R217 VanDerWaalsContact O-NE 3.08Å; D212-R217 IonicContact OD1-CZ 3.87Å; D212-R217 IonicContact OD1-NE 3.76Å; D212-R217 IonicContact OD1-NH2 3.2Å; D212-R217 PolarHBondContact OD1-NH2 2.89Å; D212-R271 IonicContact OD2-CZ 3.15Å; D212-R271 IonicContact OD2-NH2 2.71Å; D212-R271 PolarHBondContact OD2-NH2 3.46Å
213S82.9Confident75.8Confident39 Ų3963.5 Ų63.527%0.27336%0.36SS..SBendtrans-58.6141.7178.9-175.70000112.6D210 A215 F216 R217D210-S213 WeakPolarHBondContact O-CB 3.12Å; D210-S213 PolarHBondContact O-N 2.87Å; D210-S213 PolarHBondContact OD2-N 2.8Å; S213-A215 PolarHBondContact O-N 2.92Å; S213-A215 VanDerWaalsContact O-N 3.15Å; S213-A215 PolarHBondContact OG-N 3.42Å; S213-F216 WeakPolarHBondContact O-CB 3.36Å; S213-F216 PolarHBondContact O-N 3.34Å; S213-R217 WeakPolarHBondContact O-CG 3.3Å; S213-R217 PolarHBondContact O-N 3.09Å
214D80.2Confident77.8Confident138 Ų13856.1 Ų56.174%0.73832%0.32SS*.Hα-helixtrans-54.9-32.6174.3-67.2-34.1000112.3R217 A218D214-R217 PolarHBondContact O-N 2.72Å; D214-A218 VanDerWaalsContact O-CB 3.32Å; D214-A218 WeakPolarHBondContact O-CB 3.43Å; D214-A218 PolarHBondContact O-N 3.3Å
215A82.2Confident80Confident57 Ų5751.4 Ų51.447%0.47130%0.299SS..Hα-helixtrans-68-39.8176.400000112.6Y195 S213Y195-A215 HydrophobicContact CE2-CB 4.14Å; S213-A215 PolarHBondContact O-N 2.92Å; S213-A215 VanDerWaalsContact O-N 3.15Å; S213-A215 PolarHBondContact OG-N 3.42Å
216F89.4Confident81.8Confident0 Ų048.3 Ų48.30%028%0.284CS..Hα-helixtrans-67.4-44173.1-178.6-95.8000110.8Y195 L211 S213 A218 L219 Q224 V227 V228 L279Y195-F216 HydrophobicContact CE1-CD2 4.12Å; Y195-F216 HydrophobicContact CE2-CB 4.4Å; L211-F216 HydrophobicContact CD2-CE2 4.23Å; L211-F216 HydrophobicContact CD2-CZ 4.33Å; L211-F216 WeakPolarHBondContact O-CD1 3.49Å; S213-F216 WeakPolarHBondContact O-CB 3.36Å; S213-F216 PolarHBondContact O-N 3.34Å; F216-A218 PolarHBondContact O-N 3.33Å; F216-L219 WeakPolarHBondContact O-CB 3.13Å; F216-L219 PolarHBondContact O-N 3.39Å; F216-Q224 HydrophobicContact CD1-CG 4.33Å; F216-Q224 HydrophobicContact CE1-CB 3.93Å; F216-Q224 HydrophobicContact CE1-CG 3.92Å; F216-Q224 HydrophobicContact CE2-CB 4.26Å; F216-Q224 HydrophobicContact CE2-CG 4.46Å; F216-Q224 HydrophobicContact CZ-CB 3.63Å; F216-Q224 HydrophobicContact CZ-CG 4Å; F216-Q224 WeakPolarHBondContact O-CG 3.22Å; F216-Q224 PolarHBondContact O-NE2 2.64Å; F216-V227 HydrophobicContact CD2-CG1 4.22Å; F216-V227 HydrophobicContact CE2-CB 3.98Å; F216-V227 HydrophobicContact CE2-CG1 3.77Å; F216-V228 HydrophobicContact CE2-CG2 4.29Å; F216-V228 HydrophobicContact CZ-CG2 3.88Å; F216-L279 HydrophobicContact CE1-CD1 4.33Å; F216-L279 HydrophobicContact CZ-CD1 4.02Å
217R86Confident83.2Confident136 Ų13646.4 Ų46.451%0.51328%0.275SS..Hα-helixtrans-66.3-23.3-179.9-68.3178.6174.1-152.8-0.9113.4D212 S213 D214 Q224D212-R217 WeakPolarHBondContact O-CD 3.16Å; D212-R217 PolarHBondContact O-NE 3.09Å; D212-R217 VanDerWaalsContact O-NE 3.08Å; D212-R217 IonicContact OD1-CZ 3.87Å; D212-R217 IonicContact OD1-NE 3.76Å; D212-R217 IonicContact OD1-NH2 3.2Å; D212-R217 PolarHBondContact OD1-NH2 2.89Å; S213-R217 WeakPolarHBondContact O-CG 3.3Å; S213-R217 PolarHBondContact O-N 3.09Å; D214-R217 PolarHBondContact O-N 2.72Å; R217-Q224 PolarHBondContact O-NE2 2.79Å
218A84Confident84.7Confident84 Ų8442.7 Ų42.769%0.69425%0.25SC*.THydrogen-bonded Turntrans-75.6-17.6175.200000114.2D214 F216D214-A218 VanDerWaalsContact O-CB 3.32Å; D214-A218 WeakPolarHBondContact O-CB 3.43Å; D214-A218 PolarHBondContact O-N 3.3Å; F216-A218 PolarHBondContact O-N 3.33Å
219L87.3Confident85.8Confident25 Ų2543.9 Ų43.913%0.13125%0.245CC..SBendtrans-70.1150.2175.2-68.4171.6000111.3L191 Y195 F216 A223 Q224 V227L191-L219 HydrophobicContact CB-CD2 4.44Å; Y195-L219 HydrophobicContact CD1-CD1 4.4Å; Y195-L219 HydrophobicContact CD2-CD1 3.83Å; Y195-L219 HydrophobicContact CD2-CG 4.49Å; Y195-L219 HydrophobicContact CE2-CD1 4.45Å; Y195-L219 HydrophobicContact CG-CD1 3.81Å; F216-L219 WeakPolarHBondContact O-CB 3.13Å; F216-L219 PolarHBondContact O-N 3.39Å; L219-A223 HydrophobicContact CB-CB 4.33Å; L219-Q224 HydrophobicContact CB-CG 3.8Å; L219-Q224 PolarHBondContact O-NE2 3.15Å; L219-V227 HydrophobicContact CD1-CG2 4.11Å
220P90Very high86.7Confident52 Ų5244.8 Ų44.834%0.33825%0.249SC..  trans-56.2145.2168.5-25.134.9000112.3Y188 L191 P222 A223 Q224Y188-P220 HydrophobicContact CD1-CB 4.04Å; Y188-P220 HydrophobicContact CD1-CG 4.23Å; Y188-P220 HydrophobicContact CE1-CB 3.63Å; Y188-P220 HydrophobicContact CE1-CG 3.88Å; L191-P220 HydrophobicContact CD1-CG 4.38Å; P220-P222 VanDerWaalsContact C-N 3.34Å; P220-A223 HydrophobicContact CB-CB 4.47Å; P220-A223 WeakPolarHBondContact O-CA 3.34Å; P220-A223 WeakPolarHBondContact O-CB 3.35Å; P220-A223 PolarHBondContact O-N 2.74Å; P220-Q224 PolarHBondContact O-N 3.22Å
221L88.6Confident87.1Confident38 Ų3841.3 Ų41.320%0.19923%0.23CC..Hα-helixtrans-50-41.8-179.5-89161.5000114.6Q224 L225 L279 N282 L283L221-Q224 PolarHBondContact O-N 2.7Å; L221-L225 PolarHBondContact O-N 3.01Å; L221-L279 HydrophobicContact CD2-CD2 3.68Å; L221-N282 HydrophobicContact CD2-CB 4.13Å; L221-L283 HydrophobicContact CB-CD1 4.39Å
222P89.9Confident87.3Confident36 Ų3645.9 Ų45.923%0.23425%0.247CC..Hα-helixtrans-63-39.6173-24.535.3000114Y188 P220 L225 R226 L283Y188-P222 HydrophobicContact CD1-CB 4.43Å; Y188-P222 HydrophobicContact CD2-CB 3.56Å; Y188-P222 HydrophobicContact CD2-CG 4.13Å; Y188-P222 HydrophobicContact CE2-CB 3.86Å; Y188-P222 HydrophobicContact CE2-CG 3.88Å; Y188-P222 HydrophobicContact CG-CB 3.9Å; P220-P222 VanDerWaalsContact C-N 3.34Å; P222-L225 PolarHBondContact O-N 2.67Å; P222-R226 PolarHBondContact O-N 3.35Å; P222-L283 HydrophobicContact CG-CD1 3.93Å
223A89.2Confident87.5Confident0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-69.2-39.6176.700000111.5Y188 L191 L219 P220 L225 R226 V227Y188-A223 HydrophobicContact CD1-CB 4.14Å; Y188-A223 HydrophobicContact CG-CB 4.5Å; L191-A223 HydrophobicContact CB-CB 4.28Å; L219-A223 HydrophobicContact CB-CB 4.33Å; P220-A223 HydrophobicContact CB-CB 4.47Å; P220-A223 WeakPolarHBondContact O-CA 3.34Å; P220-A223 WeakPolarHBondContact O-CB 3.35Å; P220-A223 PolarHBondContact O-N 2.74Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.9Å; A223-R226 PolarHBondContact O-N 2.91Å; A223-V227 WeakPolarHBondContact O-CG2 3.48Å; A223-V227 PolarHBondContact O-N 3.05Å
224Q91.4Very high87.4Confident15 Ų1547.7 Ų47.77%0.0725%0.252CS..Hα-helixtrans-56.2-46.2171.3-69.1-174.633.900111.4F216 R217 L219 P220 L221 R226 V227 V228 L279F216-Q224 HydrophobicContact CD1-CG 4.33Å; F216-Q224 HydrophobicContact CE1-CB 3.93Å; F216-Q224 HydrophobicContact CE1-CG 3.92Å; F216-Q224 HydrophobicContact CE2-CB 4.26Å; F216-Q224 HydrophobicContact CE2-CG 4.46Å; F216-Q224 HydrophobicContact CZ-CB 3.63Å; F216-Q224 HydrophobicContact CZ-CG 4Å; F216-Q224 WeakPolarHBondContact O-CG 3.22Å; F216-Q224 PolarHBondContact O-NE2 2.64Å; R217-Q224 PolarHBondContact O-NE2 2.79Å; L219-Q224 HydrophobicContact CB-CG 3.8Å; L219-Q224 PolarHBondContact O-NE2 3.15Å; P220-Q224 PolarHBondContact O-N 3.22Å; L221-Q224 PolarHBondContact O-N 2.7Å; Q224-R226 VanDerWaalsContact C-N 3.34Å; Q224-R226 PolarHBondContact O-N 3.05Å; Q224-V227 PolarHBondContact O-N 2.82Å; Q224-V228 WeakPolarHBondContact O-CG2 3.33Å; Q224-V228 PolarHBondContact O-N 2.82Å; Q224-L279 HydrophobicContact CB-CD1 3.96Å; Q224-L279 HydrophobicContact CB-CD2 3.98Å; Q224-L279 VanDerWaalsContact OE1-CD2 3.29Å
225L92.2Very high87.3Confident25 Ų2541.2 Ų41.213%0.13122%0.218CC..Hα-helixtrans-61.9-42.4177.4-175.767.5000111.5L221 P222 A223 V228 Q229 Q276 L279 L283L221-L225 PolarHBondContact O-N 3.01Å; P222-L225 PolarHBondContact O-N 2.67Å; A223-L225 VanDerWaalsContact C-N 3.32Å; A223-L225 PolarHBondContact O-N 2.9Å; L225-V228 PolarHBondContact O-N 3.43Å; L225-Q229 WeakPolarHBondContact O-CG 3.33Å; L225-Q229 PolarHBondContact O-N 2.91Å; L225-Q276 HydrophobicContact CD1-CG 3.75Å; L225-Q276 WeakPolarHBondContact CD1-O 3.05Å; L225-L279 HydrophobicContact CB-CB 4.42Å; L225-L279 HydrophobicContact CD1-CB 3.95Å; L225-L283 HydrophobicContact CD2-CD2 4.27Å
226R91.3Very high87Confident56 Ų5641.5 Ų41.521%0.21121%0.211CC..Hα-helixtrans-67.1-40.2179.9-173.153.2162.1148.72.5113.2D189 A192 P222 A223 Q224 V228 Q229 M230 E233D189-R226 WeakPolarHBondContact OD1-CD 3.5Å; D189-R226 WeakPolarHBondContact OD1-CG 3.48Å; D189-R226 IonicContact OD1-CZ 3.37Å; D189-R226 IonicContact OD1-NE 3.34Å; D189-R226 PolarHBondContact OD1-NE 3.26Å; D189-R226 IonicContact OD1-NH2 2.72Å; D189-R226 PolarHBondContact OD1-NH2 3.2Å; D189-R226 IonicContact OD2-CZ 2.7Å; D189-R226 IonicContact OD2-NE 2.89Å; D189-R226 IonicContact OD2-NH2 3.27Å; D189-R226 PolarHBondContact OD2-NH2 3.12Å; A192-R226 HydrophobicContact CB-CB 3.92Å; A192-R226 HydrophobicContact CB-CG 3.75Å; P222-R226 PolarHBondContact O-N 3.35Å; A223-R226 PolarHBondContact O-N 2.91Å; Q224-R226 VanDerWaalsContact C-N 3.34Å; Q224-R226 PolarHBondContact O-N 3.05Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.43Å; R226-Q229 PolarHBondContact O-N 3.48Å; R226-M230 WeakPolarHBondContact O-CG 3.46Å; R226-M230 PolarHBondContact O-N 3.1Å; R226-E233 IonicContact NH1-OE1 2.68Å; R226-E233 PolarHBondContact NH1-OE1 3.22Å
227V90.1Very high86.3Confident0 Ų044.4 Ų44.40%023%0.231CC..Hα-helixtrans-56.5-45.9171.5169.60000110.5A192 Y195 L196 F216 L219 A223 Q224 Q229 M230 L231A192-V227 HydrophobicContact CB-CG2 3.62Å; Y195-V227 HydrophobicContact CD1-CG1 3.85Å; Y195-V227 HydrophobicContact CD1-CG2 4Å; Y195-V227 HydrophobicContact CE1-CG1 4.07Å; Y195-V227 HydrophobicContact CG-CG2 4.44Å; L196-V227 HydrophobicContact CD2-CG1 4.06Å; L196-V227 HydrophobicContact CG-CG1 4.25Å; F216-V227 HydrophobicContact CD2-CG1 4.22Å; F216-V227 HydrophobicContact CE2-CB 3.98Å; F216-V227 HydrophobicContact CE2-CG1 3.77Å; L219-V227 HydrophobicContact CD1-CG2 4.11Å; A223-V227 WeakPolarHBondContact O-CG2 3.48Å; A223-V227 PolarHBondContact O-N 3.05Å; Q224-V227 PolarHBondContact O-N 2.82Å; V227-Q229 PolarHBondContact O-N 3.49Å; V227-M230 PolarHBondContact O-N 2.9Å; V227-L231 HydrophobicContact CG1-CD1 3.88Å; V227-L231 HydrophobicContact CG1-CG 4.48Å; V227-L231 WeakPolarHBondContact O-CB 3.23Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.28Å; V227-L231 PolarHBondContact O-N 3.01Å
228V91.1Very high84.6Confident0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-64.9-38.8178.8173.80000112.2L211 F216 Q224 L225 R226 L231 R232 L272 R275 Q276 L279L211-V228 HydrophobicContact CD2-CG2 4Å; F216-V228 HydrophobicContact CE2-CG2 4.29Å; F216-V228 HydrophobicContact CZ-CG2 3.88Å; Q224-V228 WeakPolarHBondContact O-CG2 3.33Å; Q224-V228 PolarHBondContact O-N 2.82Å; L225-V228 PolarHBondContact O-N 3.43Å; R226-V228 VanDerWaalsContact C-N 3.3Å; R226-V228 PolarHBondContact O-N 3.43Å; V228-L231 PolarHBondContact O-N 3.34Å; V228-R232 PolarHBondContact O-N 3.4Å; V228-L272 HydrophobicContact CG1-CB 4.32Å; V228-L272 HydrophobicContact CG1-CD2 4Å; V228-L272 VanDerWaalsContact CG1-O 3.24Å; V228-L272 WeakPolarHBondContact CG1-O 3.49Å; V228-R275 HydrophobicContact CG2-CG 4.26Å; V228-Q276 HydrophobicContact CG1-CB 3.79Å; V228-Q276 HydrophobicContact CG1-CG 4.49Å; V228-L279 HydrophobicContact CG2-CD1 3.92Å
229Q89.7Confident83.4Confident61 Ų6142.1 Ų42.129%0.28523%0.231SC..Hα-helixtrans-61.5-49.1173.6-71.6171.1-800111.8L225 R226 V227 L231 R232 E233L225-Q229 WeakPolarHBondContact O-CG 3.33Å; L225-Q229 PolarHBondContact O-N 2.91Å; R226-Q229 PolarHBondContact O-N 3.48Å; V227-Q229 PolarHBondContact O-N 3.49Å; Q229-L231 VanDerWaalsContact C-N 3.31Å; Q229-L231 PolarHBondContact O-N 3.08Å; Q229-R232 WeakPolarHBondContact O-CA 3.25Å; Q229-R232 WeakPolarHBondContact O-CB 3.5Å; Q229-R232 PolarHBondContact O-N 2.88Å; Q229-E233 WeakPolarHBondContact O-CG 3.27Å; Q229-E233 PolarHBondContact O-N 3.17Å
230M87.8Confident81.8Confident35 Ų3541.9 Ų41.917%0.17223%0.231CC..Hα-helixtrans-62.4-36.7178-71.3-172.865.700112.5R193 L196 R226 V227 R232 E233 T234R193-M230 HydrophobicContact CG-CE 4.06Å; R193-M230 HydrophobicContact CG-SD 4.22Å; L196-M230 HydrophobicContact CD1-CB 3.64Å; L196-M230 HydrophobicContact CD1-CE 4.04Å; L196-M230 HydrophobicContact CD1-CG 4.45Å; L196-M230 HydrophobicContact CD1-SD 4.07Å; R226-M230 WeakPolarHBondContact O-CG 3.46Å; R226-M230 PolarHBondContact O-N 3.1Å; V227-M230 PolarHBondContact O-N 2.9Å; M230-R232 VanDerWaalsContact C-N 3.28Å; M230-R232 PolarHBondContact O-N 2.91Å; M230-E233 PolarHBondContact O-N 3.06Å; M230-T234 WeakPolarHBondContact O-CB 3.35Å; M230-T234 WeakPolarHBondContact O-CG2 3.28Å; M230-T234 PolarHBondContact O-N 3.22Å; M230-T234 PolarHBondContact O-OG1 2.79Å
231L86.4Confident79.9Confident4 Ų447.5 Ų47.52%0.02125%0.246CC..Hα-helixtrans-65.5-29.7172-71.8169.1000112.6L196 F206 V209 L211 V227 V228 Q229 T234 L235 L272L196-L231 HydrophobicContact CD2-CD1 4.33Å; L196-L231 HydrophobicContact CD2-CD2 3.69Å; L196-L231 HydrophobicContact CD2-CG 3.94Å; F206-L231 HydrophobicContact CE2-CD2 4.03Å; F206-L231 HydrophobicContact CZ-CD2 4.13Å; F206-L231 WeakPolarHBondContact CZ-O 3.37Å; V209-L231 HydrophobicContact CB-CD1 4.37Å; V209-L231 HydrophobicContact CG1-CD1 3.9Å; V209-L231 HydrophobicContact CG2-CD2 4.04Å; L211-L231 HydrophobicContact CD2-CD1 4.18Å; V227-L231 HydrophobicContact CG1-CD1 3.88Å; V227-L231 HydrophobicContact CG1-CG 4.48Å; V227-L231 WeakPolarHBondContact O-CB 3.23Å; V227-L231 VanDerWaalsContact O-CG 3.3Å; V227-L231 WeakPolarHBondContact O-CG 3.28Å; V227-L231 PolarHBondContact O-N 3.01Å; V228-L231 PolarHBondContact O-N 3.34Å; Q229-L231 VanDerWaalsContact C-N 3.31Å; Q229-L231 PolarHBondContact O-N 3.08Å; L231-T234 VanDerWaalsContact CA-OG1 3.31Å; L231-T234 WeakPolarHBondContact CA-OG1 3.24Å; L231-T234 PolarHBondContact O-OG1 3.4Å; L231-T234 VanDerWaalsContact O-OG1 3.1Å; L231-L235 WeakPolarHBondContact O-CB 3.29Å; L231-L235 PolarHBondContact O-N 3.27Å; L231-L235 VanDerWaalsContact O-N 3.13Å; L231-L272 HydrophobicContact CB-CD1 4.09Å; L231-L272 HydrophobicContact CB-CD2 3.83Å; L231-L272 HydrophobicContact CD1-CD2 4.08Å
232R86Confident78.1Confident99 Ų9950.5 Ų50.537%0.37426%0.262SS..Hα-helixtrans-76.7-44.5174.5-166.2179175.9-75.17.5111.7V228 Q229 M230 T234 L235 D236V228-R232 PolarHBondContact O-N 3.4Å; Q229-R232 WeakPolarHBondContact O-CA 3.25Å; Q229-R232 WeakPolarHBondContact O-CB 3.5Å; Q229-R232 PolarHBondContact O-N 2.88Å; M230-R232 VanDerWaalsContact C-N 3.28Å; M230-R232 PolarHBondContact O-N 2.91Å; R232-T234 PolarHBondContact O-N 2.88Å; R232-L235 PolarHBondContact O-N 3.37Å; R232-D236 IonicContact CZ-OD2 3.15Å; R232-D236 IonicContact NH1-OD2 3.58Å; R232-D236 PolarHBondContact NH1-OD2 2.86Å; R232-D236 WeakPolarHBondContact O-CB 3.38Å; R232-D236 VanDerWaalsContact O-CG 3.26Å; R232-D236 PolarHBondContact O-N 3.28Å
233E82.8Confident76.1Confident100 Ų10053.1 Ų53.147%0.46727%0.274SS..Hα-helixtrans-58.2-44.4175.4-70166.8-161.900112R226 Q229 M230 D236 S237R226-E233 IonicContact NH1-OE1 2.68Å; R226-E233 PolarHBondContact NH1-OE1 3.22Å; Q229-E233 WeakPolarHBondContact O-CG 3.27Å; Q229-E233 PolarHBondContact O-N 3.17Å; M230-E233 PolarHBondContact O-N 3.06Å; E233-D236 PolarHBondContact O-N 3.3Å; E233-S237 WeakPolarHBondContact O-CB 3.45Å; E233-S237 PolarHBondContact O-N 2.75Å; E233-S237 PolarHBondContact O-OG 3.26Å
234T79.2Confident74Confident41 Ų4155.5 Ų55.525%0.25229%0.287SS..Hα-helixtrans-67.8-38.2175.147.40000112.2F206 M230 L231 R232 D236 S237 C240F206-T234 VanDerWaalsContact CE2-OG1 3.27Å; F206-T234 WeakPolarHBondContact CE2-OG1 3.44Å; F206-T234 WeakPolarHBondContact CZ-OG1 3.46Å; M230-T234 WeakPolarHBondContact O-CB 3.35Å; M230-T234 WeakPolarHBondContact O-CG2 3.28Å; M230-T234 PolarHBondContact O-N 3.22Å; M230-T234 PolarHBondContact O-OG1 2.79Å; L231-T234 VanDerWaalsContact CA-OG1 3.31Å; L231-T234 WeakPolarHBondContact CA-OG1 3.24Å; L231-T234 PolarHBondContact O-OG1 3.4Å; L231-T234 VanDerWaalsContact O-OG1 3.1Å; R232-T234 PolarHBondContact O-N 2.88Å; T234-D236 VanDerWaalsContact C-N 3.32Å; T234-D236 PolarHBondContact O-N 2.85Å; T234-S237 WeakPolarHBondContact O-CB 3.47Å; T234-S237 PolarHBondContact O-N 3.48Å; T234-C240 WeakPolarHBondContact O-CB 3.24Å; T234-C240 PolarHBondContact O-SG 3.16Å
235L79.6Confident71.9Confident2 Ų258.5 Ų58.51%0.0131%0.306CS..Hα-helixtrans-67-31.1175-171.258.3000113.1F206 L231 R232 R265 L268 R269 L272F206-L235 HydrophobicContact CE1-CB 4.15Å; F206-L235 HydrophobicContact CE1-CD1 3.84Å; F206-L235 HydrophobicContact CE1-CG 4.49Å; F206-L235 HydrophobicContact CZ-CB 4.17Å; L231-L235 WeakPolarHBondContact O-CB 3.29Å; L231-L235 PolarHBondContact O-N 3.27Å; L231-L235 VanDerWaalsContact O-N 3.13Å; R232-L235 PolarHBondContact O-N 3.37Å; L235-R265 HydrophobicContact CD1-CG 3.76Å; L235-R265 HydrophobicContact CG-CG 4.35Å; L235-R265 PolarHBondContact O-NH2 3.38Å; L235-L268 HydrophobicContact CD2-CD2 4.42Å; L235-L268 HydrophobicContact CD2-CG 4.36Å; L235-R269 HydrophobicContact CD2-CB 3.78Å; L235-R269 HydrophobicContact CD2-CG 4.49Å; L235-L272 HydrophobicContact CD2-CD1 4.08Å
236D75.9Confident69.6Low63 Ų6363.9 Ų63.934%0.33733%0.331SS..Hα-helixtrans-81.5-28.1178.3-69.6-14.6000112.2R232 E233 T234 R269R232-D236 IonicContact CZ-OD2 3.15Å; R232-D236 IonicContact NH1-OD2 3.58Å; R232-D236 PolarHBondContact NH1-OD2 2.86Å; R232-D236 WeakPolarHBondContact O-CB 3.38Å; R232-D236 VanDerWaalsContact O-CG 3.26Å; R232-D236 PolarHBondContact O-N 3.28Å; E233-D236 PolarHBondContact O-N 3.3Å; T234-D236 VanDerWaalsContact C-N 3.32Å; T234-D236 PolarHBondContact O-N 2.85Å; D236-R269 IonicContact OD1-CZ 2.61Å; D236-R269 VanDerWaalsContact OD1-CZ 3.27Å; D236-R269 IonicContact OD1-NE 2.79Å; D236-R269 PolarHBondContact OD1-NE 3.03Å; D236-R269 VanDerWaalsContact OD1-NE 3.12Å; D236-R269 IonicContact OD1-NH2 2.7Å; D236-R269 PolarHBondContact OD1-NH2 3Å
237S74.3Confident67.2Low60 Ų6065.9 Ų65.942%0.4235%0.349SS..SBendtrans-59.5142.6177.1-68.40000113.7E233 T234 S239 C240E233-S237 WeakPolarHBondContact O-CB 3.45Å; E233-S237 PolarHBondContact O-N 2.75Å; E233-S237 PolarHBondContact O-OG 3.26Å; T234-S237 WeakPolarHBondContact O-CB 3.47Å; T234-S237 PolarHBondContact O-N 3.48Å; S237-S239 PolarHBondContact O-N 3.12Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S237-C240 PolarHBondContact O-N 3.4Å
238S51Low64.8Low104 Ų10471.2 Ų71.273%0.72738%0.377SS*.Hα-helixtrans-59.3-29.1-17755.90000114.1C240 R241S238-C240 PolarHBondContact O-N 3.09Å; S238-R241 VanDerWaalsContact O-CB 3.26Å; S238-R241 WeakPolarHBondContact O-CB 3.42Å; S238-R241 PolarHBondContact O-N 3.42Å; S238-R241 VanDerWaalsContact O-N 3.1Å
239S58.5Low62.2Low68 Ų6877.8 Ų77.848%0.47641%0.412SS..Hα-helixtrans-57.2-43.4177.5-169.20000112.9S237 R241 N242 N243S237-S239 PolarHBondContact O-N 3.12Å; S237-S239 VanDerWaalsContact O-N 3.15Å; S239-R241 PolarHBondContact O-N 3.15Å; S239-N242 PolarHBondContact O-N 3.36Å; S239-N243 PolarHBondContact O-N 3Å
240C52.2Low60.2Low20 Ų2085 Ų8514%0.13545%0.446CS..Hα-helixtrans-65.8-19.3178.1-85.40000113.7T234 S237 S238 N242 L244T234-C240 WeakPolarHBondContact O-CB 3.24Å; T234-C240 PolarHBondContact O-SG 3.16Å; S237-C240 PolarHBondContact O-N 3.4Å; S238-C240 PolarHBondContact O-N 3.09Å; C240-N242 PolarHBondContact O-N 2.9Å; C240-L244 WeakPolarHBondContact O-CB 3.43Å; C240-L244 PolarHBondContact O-N 3.09Å
241R51.7Low58Low170 Ų17087.2 Ų87.264%0.64247%0.47SS*.Hα-helixtrans-67.2-27172.6-159.9-179.178.8153.81.9112.1S238 S239 V245S238-R241 VanDerWaalsContact O-CB 3.26Å; S238-R241 WeakPolarHBondContact O-CB 3.42Å; S238-R241 PolarHBondContact O-N 3.42Å; S238-R241 VanDerWaalsContact O-N 3.1Å; S239-R241 PolarHBondContact O-N 3.15Å; R241-V245 WeakPolarHBondContact O-CG2 3.49Å
242N49.2Very low55.9Low101 Ų10194.8 Ų94.854%0.5451%0.505SS..Hα-helixtrans-91.7-46.3-179.5-61.1-6.2000110.5S239 C240 L244 V245S239-N242 PolarHBondContact O-N 3.36Å; C240-N242 PolarHBondContact O-N 2.9Å; N242-L244 PolarHBondContact O-N 2.98Å; N242-V245 PolarHBondContact O-N 2.84Å
243N48.9Very low54.4Low91 Ų9198.6 Ų98.649%0.48753%0.525SS..Hα-helixtrans-70-31.5-174.6-66.5-0.8000113.6S239 V245 Q246S239-N243 PolarHBondContact O-N 3Å; N243-V245 PolarHBondContact O-N 2.89Å; N243-Q246 WeakPolarHBondContact O-CB 3.17Å; N243-Q246 PolarHBondContact O-N 3.21Å
244L45.6Very low53.3Low50 Ų5097.5 Ų97.526%0.26252%0.522SS..THydrogen-bonded Turntrans-74.8-14.8176.4-163.565000113C240 N242 Q246 V261 R265C240-L244 WeakPolarHBondContact O-CB 3.43Å; C240-L244 PolarHBondContact O-N 3.09Å; N242-L244 PolarHBondContact O-N 2.98Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-V261 HydrophobicContact CD2-CG1 3.81Å; L244-V261 HydrophobicContact CG-CG1 3.84Å; L244-R265 HydrophobicContact CD2-CB 4.11Å
245V47.4Very low53.1Low79 Ų79100.3 Ų100.348%0.47954%0.541SS..THydrogen-bonded Turntrans-84.1-10.7173.7177.90000111.5R241 N242 N243 V247R241-V245 WeakPolarHBondContact O-CG2 3.49Å; N242-V245 PolarHBondContact O-N 2.84Å; N243-V245 PolarHBondContact O-N 2.89Å; V245-V247 PolarHBondContact O-N 3.48Å
246Q43.5Very low52.8Low138 Ų138107.6 Ų107.665%0.64558%0.575SS**  trans-75.666.2169.2-65.2-179.9-17.100111.5K205 N243 L244K205-Q246 PolarHBondContact NZ-O 2.85Å; N243-Q246 WeakPolarHBondContact O-CB 3.17Å; N243-Q246 PolarHBondContact O-N 3.21Å; L244-Q246 VanDerWaalsContact C-N 3.33Å
247V40.7Very low52.5Low98 Ų98109.6 Ų109.659%0.59458%0.583SS**  trans-97.692.4155.8-178.60000106.9V245V245-V247 PolarHBondContact O-N 3.48Å
248N38.8Very low52.5Low112 Ų112111.9 Ų111.960%0.59959%0.585SS**  trans29.4108.5155.2-56.336.3000117.8K205K205-N248 PolarHBondContact NZ-OD1 2.72Å
249D38.1Very low53.8Low138 Ų138109.8 Ų109.874%0.73857%0.57SS**SBendtrans53.799.5133.4-44.5-27.2000119A251D249-A251 VanDerWaalsContact C-N 3.31Å; D249-A251 PolarHBondContact O-N 2.87Å
250E46.4Very low54.7Low211 Ų211110.2 Ų110.299%0.98657%0.567SS**SBendtrans61.6-3.6143.3-54.1-138.7128.100121.4
251A41.2Very low55.9Low82 Ų82110.5 Ų110.568%0.67857%0.568SS**SBendtrans-109.487.3-177.200000115D249D249-A251 VanDerWaalsContact C-N 3.31Å; D249-A251 PolarHBondContact O-N 2.87Å
252Q43.4Very low57.2Low163 Ų163105.7 Ų105.776%0.76255%0.553SS**  trans57.3105.9159.3-60-179.25.900117.4N254Q252-N254 PolarHBondContact O-N 3.3Å; Q252-N254 PolarHBondContact O-ND2 2.91Å
253F54.1Low58.6Low180 Ų180105.7 Ų105.779%0.78955%0.551SS**  trans-66.984.2-178.5-155.6-86.2000113.2
254N60.1Low60.2Low77 Ų77107.7 Ų107.741%0.41256%0.556SS.*  trans-78.7122.9178.9-76.4-55.6000111.2Q252 E256 Q257Q252-N254 PolarHBondContact O-N 3.3Å; Q252-N254 PolarHBondContact O-ND2 2.91Å; N254-E256 PolarHBondContact O-N 3.41Å; N254-E256 VanDerWaalsContact O-N 3.16Å; N254-Q257 HydrophobicContact CB-CG 4.05Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 3.09Å
255P74.9Confident61.8Low100 Ų100107.6 Ų107.665%0.64955%0.552SS**Hα-helixtrans-63.8-23.5-177.524.8-33.7000113.6F258 S259P255-F258 PolarHBondContact O-N 3.33Å; P255-S259 PolarHBondContact O-N 3.34Å; P255-S259 VanDerWaalsContact O-N 3.13Å
256E73.5Confident63.6Low154 Ų154109.3 Ų109.372%0.7256%0.557SS**Hα-helixtrans-63.4-40.1172.7-62.6-176.4165.700111.7N254 F258 S259 D260N254-E256 PolarHBondContact O-N 3.41Å; N254-E256 VanDerWaalsContact O-N 3.16Å; E256-F258 VanDerWaalsContact C-N 3.31Å; E256-F258 PolarHBondContact O-N 3.22Å; E256-S259 WeakPolarHBondContact O-CA 3.48Å; E256-S259 WeakPolarHBondContact O-CB 3.44Å; E256-S259 PolarHBondContact O-N 3.39Å; E256-S259 VanDerWaalsContact O-N 3.11Å; E256-D260 PolarHBondContact O-N 2.84Å
257Q69Low65.7Low106 Ų106107.8 Ų107.850%0.49555%0.553SS.*Hα-helixtrans-65.2-35.2177.3-65174.6-12.400112.1N254 D260 V261N254-Q257 HydrophobicContact CB-CG 4.05Å; N254-Q257 WeakPolarHBondContact O-CB 3.48Å; N254-Q257 PolarHBondContact O-N 3.09Å; Q257-D260 PolarHBondContact O-N 3.36Å; Q257-V261 WeakPolarHBondContact O-CG2 3.39Å; Q257-V261 PolarHBondContact O-N 2.91Å
258F74.9Confident67.8Low108 Ų108104.7 Ų104.747%0.47453%0.533SS..Hα-helixtrans-64.6-43.6172.2178.8-95.5000111.1P255 E256 D260 V261 Q262P255-F258 PolarHBondContact O-N 3.33Å; E256-F258 VanDerWaalsContact C-N 3.31Å; E256-F258 PolarHBondContact O-N 3.22Å; F258-D260 VanDerWaalsContact C-N 3.35Å; F258-D260 PolarHBondContact O-N 2.81Å; F258-V261 PolarHBondContact O-N 3.47Å; F258-Q262 HydrophobicContact CD1-CG 4.16Å; F258-Q262 HydrophobicContact CE1-CG 3.7Å; F258-Q262 HydrophobicContact CE2-CG 4.35Å; F258-Q262 VanDerWaalsContact CE2-NE2 3.33Å; F258-Q262 HydrophobicContact CZ-CG 3.81Å; F258-Q262 VanDerWaalsContact CZ-NE2 3.31Å; F258-Q262 WeakPolarHBondContact O-CG 3.46Å; F258-Q262 PolarHBondContact O-N 2.89Å
259S78.6Confident70Confident59 Ų59104.2 Ų104.241%0.41352%0.523SS..Hα-helixtrans-59.3-45174-1690000111.7P255 E256 V261 Q262 M263P255-S259 PolarHBondContact O-N 3.34Å; P255-S259 VanDerWaalsContact O-N 3.13Å; E256-S259 WeakPolarHBondContact O-CA 3.48Å; E256-S259 WeakPolarHBondContact O-CB 3.44Å; E256-S259 PolarHBondContact O-N 3.39Å; E256-S259 VanDerWaalsContact O-N 3.11Å; S259-V261 PolarHBondContact O-N 2.89Å; S259-Q262 PolarHBondContact O-N 3.47Å; S259-M263 WeakPolarHBondContact O-CB 3.2Å; S259-M263 PolarHBondContact O-N 3.17Å
260D77.5Confident72.4Confident77 Ų77105.2 Ų105.241%0.41252%0.517SS..Hα-helixtrans-60.3-41.5176.3-79.4-10.1000112.5E256 Q257 F258 M263 K264E256-D260 PolarHBondContact O-N 2.84Å; Q257-D260 PolarHBondContact O-N 3.36Å; F258-D260 VanDerWaalsContact C-N 3.35Å; F258-D260 PolarHBondContact O-N 2.81Å; D260-M263 PolarHBondContact O-N 3.23Å; D260-K264 VanDerWaalsContact O-CB 3.27Å; D260-K264 WeakPolarHBondContact O-CB 3.36Å; D260-K264 WeakPolarHBondContact O-CD 3.28Å; D260-K264 WeakPolarHBondContact O-CG 3.43Å; D260-K264 PolarHBondContact O-N 2.81Å
261V75.9Confident74.4Confident27 Ų27100.7 Ų100.716%0.16449%0.49CS..Hα-helixtrans-67.6-42177.11690000111.1L244 Q257 F258 S259 K264 R265L244-V261 HydrophobicContact CD2-CG1 3.81Å; L244-V261 HydrophobicContact CG-CG1 3.84Å; Q257-V261 WeakPolarHBondContact O-CG2 3.39Å; Q257-V261 PolarHBondContact O-N 2.91Å; F258-V261 PolarHBondContact O-N 3.47Å; S259-V261 PolarHBondContact O-N 2.89Å; V261-K264 PolarHBondContact O-N 3.37Å; V261-R265 WeakPolarHBondContact O-CB 3.4Å; V261-R265 PolarHBondContact O-N 2.86Å
262Q79.4Confident76.7Confident69 Ų6997 Ų9732%0.32246%0.459SS..Hα-helixtrans-64.7-42.5174.4-64-52.5-37.700111.7F258 S259 R265 L266F258-Q262 HydrophobicContact CD1-CG 4.16Å; F258-Q262 HydrophobicContact CE1-CG 3.7Å; F258-Q262 HydrophobicContact CE2-CG 4.35Å; F258-Q262 VanDerWaalsContact CE2-NE2 3.33Å; F258-Q262 HydrophobicContact CZ-CG 3.81Å; F258-Q262 VanDerWaalsContact CZ-NE2 3.31Å; F258-Q262 WeakPolarHBondContact O-CG 3.46Å; F258-Q262 PolarHBondContact O-N 2.89Å; S259-Q262 PolarHBondContact O-N 3.47Å; Q262-R265 PolarHBondContact O-N 3Å; Q262-L266 WeakPolarHBondContact O-CB 3.48Å; Q262-L266 PolarHBondContact O-N 3.05Å
263M79.5Confident78.9Confident101 Ų10191.3 Ų91.350%0.49844%0.44SS..Hα-helixtrans-63.2-46174.9-85.7179.143.900112S259 D260 R265 L266 L267S259-M263 WeakPolarHBondContact O-CB 3.2Å; S259-M263 PolarHBondContact O-N 3.17Å; D260-M263 PolarHBondContact O-N 3.23Å; M263-R265 VanDerWaalsContact C-N 3.32Å; M263-R265 PolarHBondContact O-N 2.9Å; M263-L266 PolarHBondContact O-N 3.41Å; M263-L267 WeakPolarHBondContact O-CB 3.39Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.32Å; M263-L267 PolarHBondContact O-N 2.86Å
264K82.1Confident80.7Confident133 Ų13387.3 Ų87.358%0.57842%0.424SS*.Hα-helixtrans-59.6-41.5175.5-75.5165-174.9167.80111.5D260 V261 L268D260-K264 VanDerWaalsContact O-CB 3.27Å; D260-K264 WeakPolarHBondContact O-CB 3.36Å; D260-K264 WeakPolarHBondContact O-CD 3.28Å; D260-K264 WeakPolarHBondContact O-CG 3.43Å; D260-K264 PolarHBondContact O-N 2.81Å; V261-K264 PolarHBondContact O-N 3.37Å; K264-L268 VanDerWaalsContact O-CB 3.3Å; K264-L268 WeakPolarHBondContact O-CB 3.14Å; K264-L268 PolarHBondContact O-N 3.16Å
265R79.8Confident82.1Confident47 Ų4785 Ų8518%0.17741%0.409CS..Hα-helixtrans-62.6-44.6174-173.8178.1-178.3-157.92.9112.1L235 L244 V261 Q262 M263 L268 R269L235-R265 HydrophobicContact CD1-CG 3.76Å; L235-R265 HydrophobicContact CG-CG 4.35Å; L235-R265 PolarHBondContact O-NH2 3.38Å; L244-R265 HydrophobicContact CD2-CB 4.11Å; V261-R265 WeakPolarHBondContact O-CB 3.4Å; V261-R265 PolarHBondContact O-N 2.86Å; Q262-R265 PolarHBondContact O-N 3Å; M263-R265 VanDerWaalsContact C-N 3.32Å; M263-R265 PolarHBondContact O-N 2.9Å; R265-L268 PolarHBondContact O-N 3.44Å; R265-R269 WeakPolarHBondContact O-CB 3.35Å; R265-R269 PolarHBondContact O-N 2.91Å
266L83.9Confident82.9Confident115 Ų11583 Ų8360%0.60239%0.391SS*.Hα-helixtrans-65.6-43.5178.8-176.464000111.7Q262 M263 R269 R270Q262-L266 WeakPolarHBondContact O-CB 3.48Å; Q262-L266 PolarHBondContact O-N 3.05Å; M263-L266 PolarHBondContact O-N 3.41Å; L266-R269 PolarHBondContact O-N 3.01Å; L266-R270 WeakPolarHBondContact O-CB 3.5Å; L266-R270 PolarHBondContact O-N 3.22Å
267L88.1Confident83.6Confident106 Ų10681.4 Ų81.456%0.55538%0.384SS*.Hα-helixtrans-64.7-39.9175.4-70.4170.1000111.8M263 R270 R271M263-L267 WeakPolarHBondContact O-CB 3.39Å; M263-L267 VanDerWaalsContact O-CG 3.24Å; M263-L267 WeakPolarHBondContact O-CG 3.32Å; M263-L267 PolarHBondContact O-N 2.86Å; L267-R270 PolarHBondContact O-N 3.31Å; L267-R271 PolarHBondContact O-N 2.87Å
268L84.6Confident84.7Confident34 Ų3480.7 Ų80.718%0.17838%0.381CS..Hα-helixtrans-66.2-44.5174.6-175.964.3000111.6F206 L235 K264 R265 R270 R271 L272F206-L268 HydrophobicContact CD1-CD2 4.16Å; F206-L268 HydrophobicContact CE1-CD2 4.01Å; L235-L268 HydrophobicContact CD2-CD2 4.42Å; L235-L268 HydrophobicContact CD2-CG 4.36Å; K264-L268 VanDerWaalsContact O-CB 3.3Å; K264-L268 WeakPolarHBondContact O-CB 3.14Å; K264-L268 PolarHBondContact O-N 3.16Å; R265-L268 PolarHBondContact O-N 3.44Å; L268-R270 VanDerWaalsContact C-N 3.26Å; L268-R270 PolarHBondContact O-N 2.92Å; L268-R271 PolarHBondContact O-N 2.98Å; L268-L272 HydrophobicContact CG-CD1 4.16Å; L268-L272 WeakPolarHBondContact O-CB 3.32Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.31Å
269R86Confident85.4Confident101 Ų10175.6 Ų75.638%0.38136%0.358SS..Hα-helixtrans-57.5-41.8173.6-175-171.8-91.9176.8-4.8110.8L235 D236 R265 L266 A273L235-R269 HydrophobicContact CD2-CB 3.78Å; L235-R269 HydrophobicContact CD2-CG 4.49Å; D236-R269 IonicContact OD1-CZ 2.61Å; D236-R269 VanDerWaalsContact OD1-CZ 3.27Å; D236-R269 IonicContact OD1-NE 2.79Å; D236-R269 PolarHBondContact OD1-NE 3.03Å; D236-R269 VanDerWaalsContact OD1-NE 3.12Å; D236-R269 IonicContact OD1-NH2 2.7Å; D236-R269 PolarHBondContact OD1-NH2 3Å; R265-R269 WeakPolarHBondContact O-CB 3.35Å; R265-R269 PolarHBondContact O-N 2.91Å; L266-R269 PolarHBondContact O-N 3.01Å; R269-A273 WeakPolarHBondContact O-CB 3.29Å; R269-A273 PolarHBondContact O-N 2.95Å
270R88.4Confident85.9Confident160 Ų16074.9 Ų74.960%0.60435%0.353SS*.Hα-helixtrans-64.8-48.2176-178.9175.5169.3159.64.4112.1L266 L267 L268 L272 A273 E274L266-R270 WeakPolarHBondContact O-CB 3.5Å; L266-R270 PolarHBondContact O-N 3.22Å; L267-R270 PolarHBondContact O-N 3.31Å; L268-R270 VanDerWaalsContact C-N 3.26Å; L268-R270 PolarHBondContact O-N 2.92Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.92Å; R270-A273 PolarHBondContact O-N 3.21Å; R270-A273 VanDerWaalsContact O-N 3.12Å; R270-E274 HydrophobicContact CG-CG 4.37Å; R270-E274 IonicContact CZ-OE1 3.28Å; R270-E274 VanDerWaalsContact CZ-OE1 3.27Å; R270-E274 IonicContact NE-OE1 2.84Å; R270-E274 PolarHBondContact NE-OE1 3.42Å; R270-E274 IonicContact NH2-OE1 2.8Å; R270-E274 PolarHBondContact NH2-OE1 3.25Å; R270-E274 WeakPolarHBondContact O-CG 3.23Å; R270-E274 PolarHBondContact O-N 2.74Å
271R87.9Confident86.3Confident116 Ų11674.6 Ų74.644%0.43835%0.351SS..Hα-helixtrans-61.4-39.2177.3-171.4177.5-179.1-172.4-2.3111.9L211 D212 L267 L268 R275L211-R271 HydrophobicContact CD1-CG 4.34Å; D212-R271 IonicContact OD2-CZ 3.15Å; D212-R271 IonicContact OD2-NH2 2.71Å; D212-R271 PolarHBondContact OD2-NH2 3.46Å; L267-R271 PolarHBondContact O-N 2.87Å; L268-R271 PolarHBondContact O-N 2.98Å; R271-R275 VanDerWaalsContact O-CB 3.25Å; R271-R275 WeakPolarHBondContact O-CB 3.27Å; R271-R275 PolarHBondContact O-N 3.35Å
272L89.8Confident86.9Confident4 Ų475.6 Ų75.62%0.02136%0.356CS..Hα-helixtrans-64-41.9173.3-73.6168.1000111.6L211 V228 L231 L235 L268 R270 R275 Q276L211-L272 HydrophobicContact CD1-CD2 3.85Å; L211-L272 HydrophobicContact CD2-CD2 4.21Å; V228-L272 HydrophobicContact CG1-CB 4.32Å; V228-L272 HydrophobicContact CG1-CD2 4Å; V228-L272 VanDerWaalsContact CG1-O 3.24Å; V228-L272 WeakPolarHBondContact CG1-O 3.49Å; L231-L272 HydrophobicContact CB-CD1 4.09Å; L231-L272 HydrophobicContact CB-CD2 3.83Å; L231-L272 HydrophobicContact CD1-CD2 4.08Å; L235-L272 HydrophobicContact CD2-CD1 4.08Å; L268-L272 HydrophobicContact CG-CD1 4.16Å; L268-L272 WeakPolarHBondContact O-CB 3.32Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.31Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-L272 PolarHBondContact O-N 2.92Å; L272-R275 PolarHBondContact O-N 3.13Å; L272-Q276 VanDerWaalsContact O-CB 3.25Å; L272-Q276 WeakPolarHBondContact O-CB 3.47Å; L272-Q276 PolarHBondContact O-N 3.31Å
273A89.7Confident87.2Confident43 Ų4373.7 Ų73.736%0.35535%0.348SS..Hα-helixtrans-67-44.3176.600000112.7R269 R270 R275 Q276 Q277R269-A273 WeakPolarHBondContact O-CB 3.29Å; R269-A273 PolarHBondContact O-N 2.95Å; R270-A273 PolarHBondContact O-N 3.21Å; R270-A273 VanDerWaalsContact O-N 3.12Å; A273-R275 VanDerWaalsContact C-N 3.35Å; A273-R275 PolarHBondContact O-N 3.17Å; A273-Q276 PolarHBondContact O-N 2.87Å; A273-Q277 PolarHBondContact O-N 3.5Å
274E90.8Very high87.4Confident97 Ų9771.3 Ų71.345%0.45334%0.339SS..Hα-helixtrans-60.6-43.5174.7-72.6171.5170.600110.8R270 Q277 E278R270-E274 HydrophobicContact CG-CG 4.37Å; R270-E274 IonicContact CZ-OE1 3.28Å; R270-E274 VanDerWaalsContact CZ-OE1 3.27Å; R270-E274 IonicContact NE-OE1 2.84Å; R270-E274 PolarHBondContact NE-OE1 3.42Å; R270-E274 IonicContact NH2-OE1 2.8Å; R270-E274 PolarHBondContact NH2-OE1 3.25Å; R270-E274 WeakPolarHBondContact O-CG 3.23Å; R270-E274 PolarHBondContact O-N 2.74Å; E274-Q277 PolarHBondContact O-N 2.68Å; E274-E278 WeakPolarHBondContact O-CB 3.35Å; E274-E278 PolarHBondContact O-N 3.03Å
275R89.5Confident87.4Confident28 Ų2868.9 Ų68.911%0.10633%0.328CS..Hα-helixtrans-68.9-37.1176-167.267178.6140.26.9112.6L211 V228 R271 L272 A273 Q277 E278 L279L211-R275 HydrophobicContact CD1-CB 4.35Å; L211-R275 HydrophobicContact CD1-CG 4.38Å; V228-R275 HydrophobicContact CG2-CG 4.26Å; R271-R275 VanDerWaalsContact O-CB 3.25Å; R271-R275 WeakPolarHBondContact O-CB 3.27Å; R271-R275 PolarHBondContact O-N 3.35Å; L272-R275 PolarHBondContact O-N 3.13Å; A273-R275 VanDerWaalsContact C-N 3.35Å; A273-R275 PolarHBondContact O-N 3.17Å; R275-Q277 VanDerWaalsContact C-N 3.33Å; R275-E278 IonicContact CZ-OE2 3.97Å; R275-E278 IonicContact NH1-OE1 3.81Å; R275-E278 PolarHBondContact NH1-OE1 3.28Å; R275-E278 IonicContact NH1-OE2 2.75Å; R275-E278 PolarHBondContact NH1-OE2 3.42Å; R275-E278 PolarHBondContact O-N 2.93Å; R275-L279 HydrophobicContact CG-CD1 4Å; R275-L279 HydrophobicContact CG-CG 4.39Å; R275-L279 WeakPolarHBondContact O-CB 3.49Å; R275-L279 WeakPolarHBondContact O-CG 3.5Å; R275-L279 PolarHBondContact O-N 3.15Å
276Q91.4Very high87.3Confident57 Ų5771.5 Ų71.527%0.26634%0.343SS..Hα-helixtrans-60.4-45.3174.4-173.5-179.1-25.300110.5L225 V228 L272 A273 L279 S280L225-Q276 HydrophobicContact CD1-CG 3.75Å; L225-Q276 WeakPolarHBondContact CD1-O 3.05Å; V228-Q276 HydrophobicContact CG1-CB 3.79Å; V228-Q276 HydrophobicContact CG1-CG 4.49Å; L272-Q276 VanDerWaalsContact O-CB 3.25Å; L272-Q276 WeakPolarHBondContact O-CB 3.47Å; L272-Q276 PolarHBondContact O-N 3.31Å; A273-Q276 PolarHBondContact O-N 2.87Å; Q276-L279 PolarHBondContact O-N 3.3Å; Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 2.99Å
277Q89.7Confident87.1Confident122 Ų12269.1 Ų69.157%0.5733%0.329SS*.Hα-helixtrans-64.9-45.6176.9-175.2175.6-7.100111.8A273 E274 R275 L279 S280 D281A273-Q277 PolarHBondContact O-N 3.5Å; E274-Q277 PolarHBondContact O-N 2.68Å; R275-Q277 VanDerWaalsContact C-N 3.33Å; Q277-L279 VanDerWaalsContact C-N 3.31Å; Q277-L279 PolarHBondContact O-N 3.32Å; Q277-S280 WeakPolarHBondContact CA-OG 3.43Å; Q277-S280 PolarHBondContact O-N 3.06Å; Q277-S280 PolarHBondContact O-OG 3.26Å; Q277-D281 WeakPolarHBondContact O-CB 3.5Å; Q277-D281 VanDerWaalsContact O-CG 3.25Å; Q277-D281 PolarHBondContact O-N 2.97Å
278E90.2Very high86.5Confident91 Ų9164.1 Ų64.143%0.42530%0.302SS..Hα-helixtrans-61.7-39.8177.9-162.2-151.3137.700112.1E274 R275 D281 N282E274-E278 WeakPolarHBondContact O-CB 3.35Å; E274-E278 PolarHBondContact O-N 3.03Å; R275-E278 IonicContact CZ-OE2 3.97Å; R275-E278 IonicContact NH1-OE1 3.81Å; R275-E278 PolarHBondContact NH1-OE1 3.28Å; R275-E278 IonicContact NH1-OE2 2.75Å; R275-E278 PolarHBondContact NH1-OE2 3.42Å; R275-E278 PolarHBondContact O-N 2.93Å; E278-D281 PolarHBondContact O-N 3.36Å; E278-N282 WeakPolarHBondContact O-CB 3.38Å; E278-N282 PolarHBondContact O-N 3.02Å; E278-N282 PolarHBondContact O-ND2 3.2Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; E278-N282 PolarHBondContact OE1-ND2 2.98Å
279L90.7Very high86Confident1 Ų164.6 Ų64.61%0.00531%0.306CS..Hα-helixtrans-69.8-38.4176.4-70.1170.7000112.2F216 L221 Q224 L225 V228 R275 Q276 Q277 N282 L283F216-L279 HydrophobicContact CE1-CD1 4.33Å; F216-L279 HydrophobicContact CZ-CD1 4.02Å; L221-L279 HydrophobicContact CD2-CD2 3.68Å; Q224-L279 HydrophobicContact CB-CD1 3.96Å; Q224-L279 HydrophobicContact CB-CD2 3.98Å; Q224-L279 VanDerWaalsContact OE1-CD2 3.29Å; L225-L279 HydrophobicContact CB-CB 4.42Å; L225-L279 HydrophobicContact CD1-CB 3.95Å; V228-L279 HydrophobicContact CG2-CD1 3.92Å; R275-L279 HydrophobicContact CG-CD1 4Å; R275-L279 HydrophobicContact CG-CG 4.39Å; R275-L279 WeakPolarHBondContact O-CB 3.49Å; R275-L279 WeakPolarHBondContact O-CG 3.5Å; R275-L279 PolarHBondContact O-N 3.15Å; Q276-L279 PolarHBondContact O-N 3.3Å; Q277-L279 VanDerWaalsContact C-N 3.31Å; Q277-L279 PolarHBondContact O-N 3.32Å; L279-N282 PolarHBondContact O-N 3.21Å; L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.34Å; L279-L283 PolarHBondContact O-N 3.2Å
280S89.6Confident85.3Confident44 Ų4465.1 Ų65.131%0.30831%0.313SS..Hα-helixtrans-66.6-37.317256.90000112.3Q276 Q277 L283 T284Q276-S280 PolarHBondContact O-N 3.44Å; Q276-S280 PolarHBondContact O-OG 2.99Å; Q277-S280 WeakPolarHBondContact CA-OG 3.43Å; Q277-S280 PolarHBondContact O-N 3.06Å; Q277-S280 PolarHBondContact O-OG 3.26Å; S280-L283 PolarHBondContact O-N 3Å; S280-T284 WeakPolarHBondContact O-CB 3.43Å; S280-T284 VanDerWaalsContact O-CG2 3.3Å; S280-T284 WeakPolarHBondContact O-CG2 3.48Å; S280-T284 PolarHBondContact O-N 2.88Å; S280-T284 PolarHBondContact O-OG1 3.24Å
281D86.3Confident84.5Confident70 Ų7060.4 Ų60.437%0.37430%0.298SS..Hα-helixtrans-67.8-37175.9-73.5-1.8000111.3Q277 E278 T284 K285Q277-D281 WeakPolarHBondContact O-CB 3.5Å; Q277-D281 VanDerWaalsContact O-CG 3.25Å; Q277-D281 PolarHBondContact O-N 2.97Å; E278-D281 PolarHBondContact O-N 3.36Å; D281-T284 WeakPolarHBondContact CA-OG1 3.32Å; D281-T284 PolarHBondContact O-OG1 3.29Å; D281-T284 VanDerWaalsContact O-OG1 3.1Å; D281-K285 WeakPolarHBondContact O-CB 3.47Å; D281-K285 VanDerWaalsContact O-CD 3.3Å; D281-K285 WeakPolarHBondContact O-CD 3.41Å; D281-K285 VanDerWaalsContact O-CE 3.25Å; D281-K285 WeakPolarHBondContact O-CE 3.1Å; D281-K285 WeakPolarHBondContact O-CG 3.24Å; D281-K285 PolarHBondContact O-N 3.37Å
282N87Confident83.5Confident48 Ų4855.3 Ų55.326%0.25728%0.279SS..Hα-helixtrans-75.4-36.6176.7-69.8-25.5000112.3L221 E278 L279 K285 Q286L221-N282 HydrophobicContact CD2-CB 4.13Å; E278-N282 WeakPolarHBondContact O-CB 3.38Å; E278-N282 PolarHBondContact O-N 3.02Å; E278-N282 PolarHBondContact O-ND2 3.2Å; E278-N282 VanDerWaalsContact O-ND2 3.16Å; E278-N282 PolarHBondContact OE1-ND2 2.98Å; L279-N282 PolarHBondContact O-N 3.21Å; N282-K285 PolarHBondContact O-N 3.32Å; N282-K285 PolarHBondContact OD1-NZ 3.37Å; N282-Q286 WeakPolarHBondContact O-CB 3.36Å; N282-Q286 PolarHBondContact O-N 3.13Å
283L86.8Confident82.3Confident29 Ų2958 Ų5815%0.15229%0.294CS..Hα-helixtrans-63.7-48172.4-177.861.7000111L221 P222 L225 L279 S280 K285 Q286 E287L221-L283 HydrophobicContact CB-CD1 4.39Å; P222-L283 HydrophobicContact CG-CD1 3.93Å; L225-L283 HydrophobicContact CD2-CD2 4.27Å; L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.34Å; L279-L283 PolarHBondContact O-N 3.2Å; S280-L283 PolarHBondContact O-N 3Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.23Å; L283-Q286 PolarHBondContact O-N 2.92Å; L283-Q286 VanDerWaalsContact O-N 3.08Å; L283-E287 HydrophobicContact CD1-CG 4.44Å; L283-E287 WeakPolarHBondContact O-CB 3.44Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 3.39Å
284T82.9Confident81.2Confident51 Ų5162.4 Ų62.431%0.31331%0.307SS..Hα-helixtrans-65-33.3177.5530000113.1S280 D281 A288S280-T284 WeakPolarHBondContact O-CB 3.43Å; S280-T284 VanDerWaalsContact O-CG2 3.3Å; S280-T284 WeakPolarHBondContact O-CG2 3.48Å; S280-T284 PolarHBondContact O-N 2.88Å; S280-T284 PolarHBondContact O-OG1 3.24Å; D281-T284 WeakPolarHBondContact CA-OG1 3.32Å; D281-T284 PolarHBondContact O-OG1 3.29Å; D281-T284 VanDerWaalsContact O-OG1 3.1Å; T284-A288 VanDerWaalsContact O-CB 3.24Å; T284-A288 WeakPolarHBondContact O-CB 3.45Å; T284-A288 PolarHBondContact O-N 2.89Å
285K81.5Confident80Confident82 Ų8263 Ų6336%0.35731%0.313SS..Hα-helixtrans-63.2-45.9168-72.7163.5-148.7158.70111.6D281 N282 L283 A288 V289D281-K285 WeakPolarHBondContact O-CB 3.47Å; D281-K285 VanDerWaalsContact O-CD 3.3Å; D281-K285 WeakPolarHBondContact O-CD 3.41Å; D281-K285 VanDerWaalsContact O-CE 3.25Å; D281-K285 WeakPolarHBondContact O-CE 3.1Å; D281-K285 WeakPolarHBondContact O-CG 3.24Å; D281-K285 PolarHBondContact O-N 3.37Å; N282-K285 PolarHBondContact O-N 3.32Å; N282-K285 PolarHBondContact OD1-NZ 3.37Å; L283-K285 VanDerWaalsContact C-N 3.34Å; L283-K285 PolarHBondContact O-N 3.23Å; K285-A288 PolarHBondContact O-N 3.42Å; K285-V289 WeakPolarHBondContact O-CG2 3.26Å; K285-V289 PolarHBondContact O-N 3.09Å
286Q78.9Confident78.7Confident102 Ų10268.5 Ų68.548%0.47734%0.344SS..Hα-helixtrans-64.6-44.1179.3-169.8-177.914.500111.6N282 L283 A288 V289 Q290N282-Q286 WeakPolarHBondContact O-CB 3.36Å; N282-Q286 PolarHBondContact O-N 3.13Å; L283-Q286 PolarHBondContact O-N 2.92Å; L283-Q286 VanDerWaalsContact O-N 3.08Å; Q286-A288 PolarHBondContact O-N 3.48Å; Q286-V289 PolarHBondContact O-N 3.45Å; Q286-Q290 WeakPolarHBondContact O-CB 3.35Å; Q286-Q290 PolarHBondContact O-N 2.87Å
287E79.9Confident77.5Confident66 Ų6669.4 Ų69.431%0.30835%0.351SS..Hα-helixtrans-61.5-41173.9-73.3-179.8-179.500112.2L283 Q290 Q291L283-E287 HydrophobicContact CD1-CG 4.44Å; L283-E287 WeakPolarHBondContact O-CB 3.44Å; L283-E287 WeakPolarHBondContact O-CG 3.48Å; L283-E287 PolarHBondContact O-N 3.39Å; E287-Q290 PolarHBondContact O-N 2.87Å; E287-Q291 WeakPolarHBondContact O-CB 3.32Å; E287-Q291 WeakPolarHBondContact O-CG 3.36Å; E287-Q291 PolarHBondContact O-N 2.72Å; E287-Q291 PolarHBondContact O-NE2 3Å
288A75.2Confident76.3Confident0 Ų067.7 Ų67.70%035%0.352CS..Hα-helixtrans-64-43.6175.200000111.4T284 K285 Q286 Q291 I292 I346T284-A288 VanDerWaalsContact O-CB 3.24Å; T284-A288 WeakPolarHBondContact O-CB 3.45Å; T284-A288 PolarHBondContact O-N 2.89Å; K285-A288 PolarHBondContact O-N 3.42Å; Q286-A288 PolarHBondContact O-N 3.48Å; A288-Q291 PolarHBondContact O-N 2.94Å; A288-I292 WeakPolarHBondContact O-CD1 3.36Å; A288-I292 VanDerWaalsContact O-CG1 3.24Å; A288-I292 WeakPolarHBondContact O-CG1 3.36Å; A288-I292 PolarHBondContact O-N 3.32Å; A288-I346 HydrophobicContact CB-CG2 4.33Å
289V73.9Confident74.8Confident44 Ų4469.5 Ų69.527%0.26736%0.362SS..Hα-helixtrans-61.8-42.5173.1169.70000110.9K285 Q286 I292 L293 L304 A334K285-V289 WeakPolarHBondContact O-CG2 3.26Å; K285-V289 PolarHBondContact O-N 3.09Å; Q286-V289 PolarHBondContact O-N 3.45Å; V289-I292 PolarHBondContact O-N 2.92Å; V289-L293 HydrophobicContact CG1-CD1 4Å; V289-L293 HydrophobicContact CG1-CG 4.37Å; V289-L293 WeakPolarHBondContact O-CB 3.45Å; V289-L293 VanDerWaalsContact O-CG 3.28Å; V289-L293 WeakPolarHBondContact O-CG 3.43Å; V289-L293 PolarHBondContact O-N 2.85Å; V289-L304 HydrophobicContact CG1-CD1 4.44Å; V289-L304 HydrophobicContact CG2-CD2 4.3Å; V289-A334 HydrophobicContact CG2-CB 4.26Å
290Q72.4Confident73.4Confident112 Ų11271.9 Ų71.952%0.52337%0.374SS..Hα-helixtrans-65.1-41.9178.1-168.7177.511.700112Q286 E287 L293 Q294Q286-Q290 WeakPolarHBondContact O-CB 3.35Å; Q286-Q290 PolarHBondContact O-N 2.87Å; E287-Q290 PolarHBondContact O-N 2.87Å; Q290-L293 CarbonylContact O-C 3.57Å; Q290-L293 PolarHBondContact O-N 3.25Å; Q290-Q294 WeakPolarHBondContact O-CG 3.24Å; Q290-Q294 PolarHBondContact O-N 3.25Å
291Q70.1Confident72.1Confident62 Ų6271.8 Ų71.829%0.2937%0.369SS..Hα-helixtrans-62.6-42.7173.2-75.3165.548.500111.2E287 A288 L293 Q294 L295 R336E287-Q291 WeakPolarHBondContact O-CB 3.32Å; E287-Q291 WeakPolarHBondContact O-CG 3.36Å; E287-Q291 PolarHBondContact O-N 2.72Å; E287-Q291 PolarHBondContact O-NE2 3Å; A288-Q291 PolarHBondContact O-N 2.94Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.27Å; Q291-Q294 WeakPolarHBondContact O-CB 3.3Å; Q291-Q294 PolarHBondContact O-N 2.85Å; Q291-Q294 VanDerWaalsContact O-N 3.11Å; Q291-L295 PolarHBondContact O-N 2.83Å; Q291-R336 VanDerWaalsContact OE1-NH2 3.08Å
292I67Low70.8Confident8 Ų873.1 Ų73.14%0.04138%0.376CS..Hα-helixtrans-64.4-35.8174-65.8161.8000111.7A288 V289 Q294 L295 I300 L304 A334 I346 I348A288-I292 WeakPolarHBondContact O-CD1 3.36Å; A288-I292 VanDerWaalsContact O-CG1 3.24Å; A288-I292 WeakPolarHBondContact O-CG1 3.36Å; A288-I292 PolarHBondContact O-N 3.32Å; V289-I292 PolarHBondContact O-N 2.92Å; I292-Q294 VanDerWaalsContact C-N 3.3Å; I292-L295 WeakPolarHBondContact O-CB 3.34Å; I292-L295 PolarHBondContact O-N 3.16Å; I292-L295 VanDerWaalsContact O-O 3.04Å; I292-I300 HydrophobicContact CG2-CB 4.25Å; I292-I300 HydrophobicContact CG2-CG2 3.32Å; I292-L304 HydrophobicContact CB-CD1 3.96Å; I292-L304 HydrophobicContact CD1-CD1 4.45Å; I292-L304 HydrophobicContact CG2-CD1 3.44Å; I292-L304 VanDerWaalsContact CG2-CD1 3.44Å; I292-A334 HydrophobicContact CD1-CB 3.65Å; I292-I346 HydrophobicContact CD1-CG2 3.78Å; I292-I346 HydrophobicContact CG1-CD1 4.19Å; I292-I346 HydrophobicContact CG1-CG2 4.46Å; I292-I348 HydrophobicContact CD1-CD1 4.28Å; I292-I348 HydrophobicContact CD1-CG1 4.47Å
293L64.6Low69.7Low61 Ų6174.3 Ų74.332%0.31938%0.381SS..Hα-helixtrans-72.3-20.7173.8-70.2173.4000113V289 Q290 Q291 K301 L304V289-L293 HydrophobicContact CG1-CD1 4Å; V289-L293 HydrophobicContact CG1-CG 4.37Å; V289-L293 WeakPolarHBondContact O-CB 3.45Å; V289-L293 VanDerWaalsContact O-CG 3.28Å; V289-L293 WeakPolarHBondContact O-CG 3.43Å; V289-L293 PolarHBondContact O-N 2.85Å; Q290-L293 CarbonylContact O-C 3.57Å; Q290-L293 PolarHBondContact O-N 3.25Å; Q291-L293 VanDerWaalsContact C-N 3.32Å; Q291-L293 PolarHBondContact O-N 3.27Å; L293-K301 HydrophobicContact CD2-CB 4.48Å; L293-K301 HydrophobicContact CD2-CG 4.03Å; L293-K301 WeakPolarHBondContact O-CE 3.2Å; L293-K301 PolarHBondContact O-NZ 3.28Å; L293-L304 HydrophobicContact CD2-CB 4.41Å
294Q67.1Low68.4Low135 Ų13573.6 Ų73.663%0.63138%0.378SS*.Hα-helixtrans-77.2-35.7169.8-73.2169.9-3.800111.5Q290 Q291 I292 N296Q290-Q294 WeakPolarHBondContact O-CG 3.24Å; Q290-Q294 PolarHBondContact O-N 3.25Å; Q291-Q294 WeakPolarHBondContact O-CB 3.3Å; Q291-Q294 PolarHBondContact O-N 2.85Å; Q291-Q294 VanDerWaalsContact O-N 3.11Å; I292-Q294 VanDerWaalsContact C-N 3.3Å; Q294-N296 PolarHBondContact O-N 3.5Å; Q294-N296 VanDerWaalsContact O-N 3.12Å
295L66.4Low67.2Low110 Ų11076.7 Ų76.758%0.57639%0.387SS*.SBendtrans-61116.2167.4-60.9177.1000108.8Q291 I292 N297 K301Q291-L295 PolarHBondContact O-N 2.83Å; I292-L295 WeakPolarHBondContact O-CB 3.34Å; I292-L295 PolarHBondContact O-N 3.16Å; I292-L295 VanDerWaalsContact O-O 3.04Å; L295-N297 PolarHBondContact O-N 2.89Å; L295-K301 WeakPolarHBondContact O-CE 3.44Å
296N60.6Low65.7Low144 Ų14478.4 Ų78.477%0.7740%0.4SS*.  trans-78.936.1-164.9-132.10.7000114Q294 K301Q294-N296 PolarHBondContact O-N 3.5Å; Q294-N296 VanDerWaalsContact O-N 3.12Å; N296-K301 PolarHBondContact OD1-NZ 3.42Å
297N67.7Low64.3Low76 Ų7677 Ų7741%0.40639%0.393SS..  trans-88.6109.4-178.4-171.4-40.3000110.7L295 M299 I300 K301L295-N297 PolarHBondContact O-N 2.89Å; N297-M299 VanDerWaalsContact C-N 3.29Å; N297-M299 PolarHBondContact O-N 3.07Å; N297-M299 WeakPolarHBondContact OD1-CB 3.22Å; N297-M299 PolarHBondContact OD1-N 2.81Å; N297-M299 VanDerWaalsContact OD1-N 3.17Å; N297-I300 HydrophobicContact CB-CD1 4.1Å; N297-I300 HydrophobicContact CB-CG1 4.21Å; N297-I300 PolarHBondContact O-N 3.43Å; N297-K301 WeakPolarHBondContact O-CG 3.34Å; N297-K301 PolarHBondContact O-N 3.16Å
298S64.6Low62.6Low86 Ų8677.5 Ų77.560%0.60140%0.404SS*.Hα-helixtrans-58.9-35.3-17655.10000113.7N302S298-N302 PolarHBondContact O-N 2.71Å; S298-N302 VanDerWaalsContact O-N 3.09Å
299M58.1Low60.8Low129 Ų12984.4 Ų84.464%0.63544%0.44SS*.Hα-helixtrans-66.7-45.4-179.5-166.2-176.5-163.900111.3N297 N302 I303N297-M299 VanDerWaalsContact C-N 3.29Å; N297-M299 PolarHBondContact O-N 3.07Å; N297-M299 WeakPolarHBondContact OD1-CB 3.22Å; N297-M299 PolarHBondContact OD1-N 2.81Å; N297-M299 VanDerWaalsContact OD1-N 3.17Å; M299-N302 PolarHBondContact O-N 2.96Å; M299-I303 HydrophobicContact CG-CD1 4.42Å; M299-I303 WeakPolarHBondContact O-CG1 3.43Å; M299-I303 PolarHBondContact O-N 3.32Å
300I62Low58.7Low50 Ų5091 Ų9126%0.25647%0.465SS..Hα-helixtrans-73.2-37.3-179-47.3175.8000110.5I292 N297 N302 I303 L304 I348I292-I300 HydrophobicContact CG2-CB 4.25Å; I292-I300 HydrophobicContact CG2-CG2 3.32Å; N297-I300 HydrophobicContact CB-CD1 4.1Å; N297-I300 HydrophobicContact CB-CG1 4.21Å; N297-I300 PolarHBondContact O-N 3.43Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 3.39Å; I300-I303 PolarHBondContact O-N 3.45Å; I300-L304 HydrophobicContact CG2-CD1 4.04Å; I300-L304 PolarHBondContact O-N 3.33Å; I300-I348 HydrophobicContact CG2-CD1 4.46Å
301K60.8Low56.8Low43 Ų4390.4 Ų90.419%0.18747%0.474CS..Hα-helixtrans-55.9-44172.1-77.5-177174.7-167.10112.5L293 L295 N296 N297 K305L293-K301 HydrophobicContact CD2-CB 4.48Å; L293-K301 HydrophobicContact CD2-CG 4.03Å; L293-K301 WeakPolarHBondContact O-CE 3.2Å; L293-K301 PolarHBondContact O-NZ 3.28Å; L295-K301 WeakPolarHBondContact O-CE 3.44Å; N296-K301 PolarHBondContact OD1-NZ 3.42Å; N297-K301 WeakPolarHBondContact O-CG 3.34Å; N297-K301 PolarHBondContact O-N 3.16Å; K301-K305 VanDerWaalsContact O-CB 3.25Å; K301-K305 WeakPolarHBondContact O-CB 3.4Å; K301-K305 VanDerWaalsContact O-CG 3.22Å; K301-K305 WeakPolarHBondContact O-CG 3.46Å; K301-K305 PolarHBondContact O-N 3.46Å
302N59.2Low54.9Low98 Ų9892.6 Ų92.652%0.52449%0.491SS..Hα-helixtrans-70.9-37.5-179.4-71.5-8.3000112.6S298 M299 I300 L304 N306S298-N302 PolarHBondContact O-N 2.71Å; S298-N302 VanDerWaalsContact O-N 3.09Å; M299-N302 PolarHBondContact O-N 2.96Å; I300-N302 VanDerWaalsContact C-N 3.33Å; I300-N302 PolarHBondContact O-N 3.39Å; N302-L304 VanDerWaalsContact C-N 3.35Å; N302-L304 PolarHBondContact O-N 2.96Å; N302-N306 PolarHBondContact O-N 2.74Å
303I65.2Low52.9Low73 Ų73100.1 Ų100.137%0.37453%0.531SS..Hα-helixtrans-63.8-39.8176-66.9165.8000111.4M299 I300 A332M299-I303 HydrophobicContact CG-CD1 4.42Å; M299-I303 WeakPolarHBondContact O-CG1 3.43Å; M299-I303 PolarHBondContact O-N 3.32Å; I300-I303 PolarHBondContact O-N 3.45Å; I303-A332 HydrophobicContact CG2-CB 4.18Å
304L58.7Low51.1Low14 Ų14102.6 Ų102.67%0.07355%0.551CS.*Hα-helixtrans-80.3-39.7-180-72.1170.3000113.5V289 I292 L293 I300 N302 N306 Q307V289-L304 HydrophobicContact CG1-CD1 4.44Å; V289-L304 HydrophobicContact CG2-CD2 4.3Å; I292-L304 HydrophobicContact CB-CD1 3.96Å; I292-L304 HydrophobicContact CD1-CD1 4.45Å; I292-L304 HydrophobicContact CG2-CD1 3.44Å; I292-L304 VanDerWaalsContact CG2-CD1 3.44Å; L293-L304 HydrophobicContact CD2-CB 4.41Å; I300-L304 HydrophobicContact CG2-CD1 4.04Å; I300-L304 PolarHBondContact O-N 3.33Å; N302-L304 VanDerWaalsContact C-N 3.35Å; N302-L304 PolarHBondContact O-N 2.96Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 3.11Å; L304-Q307 PolarHBondContact O-N 3.02Å; L304-Q307 VanDerWaalsContact O-N 3.08Å
305K57.3Low49Very low116 Ų116105.5 Ų105.550%0.50456%0.561SS.*Hα-helixtrans-58-38.2-179.9-83.3179.2174.3-170.70112.7K301 Q307 S308K301-K305 VanDerWaalsContact O-CB 3.25Å; K301-K305 WeakPolarHBondContact O-CB 3.4Å; K301-K305 VanDerWaalsContact O-CG 3.22Å; K301-K305 WeakPolarHBondContact O-CG 3.46Å; K301-K305 PolarHBondContact O-N 3.46Å; K305-Q307 PolarHBondContact O-N 2.88Å; K305-S308 PolarHBondContact O-N 3.49Å; K305-S308 VanDerWaalsContact O-N 3.13Å; K305-S308 PolarHBondContact O-OG 3.08Å
306N49.6Very low47.1Very low117 Ų117105.9 Ų105.963%0.62657%0.574SS**Hα-helixtrans-65.5-17.7179.9-70.21000113.6N302 L304N302-N306 PolarHBondContact O-N 2.74Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 3.11Å
307Q51.1Low45.3Very low72 Ų72106.1 Ų106.134%0.33658%0.575SS.*Hα-helixtrans-83.2-33.7172.8-63.5-17812.300112.7L304 K305 L309 F310 A332L304-Q307 PolarHBondContact O-N 3.02Å; L304-Q307 VanDerWaalsContact O-N 3.08Å; K305-Q307 PolarHBondContact O-N 2.88Å; Q307-L309 PolarHBondContact O-N 2.81Å; Q307-L309 VanDerWaalsContact O-N 3.14Å; Q307-F310 PolarHBondContact O-N 2.94Å; Q307-F310 VanDerWaalsContact O-N 3.1Å; Q307-A332 PolarHBondContact NE2-O 2.67Å; Q307-A332 PolarHBondContact OE1-O 2.85Å
308S43Very low43.3Very low77 Ų77109.9 Ų109.954%0.53859%0.592SS.*Hα-helixtrans-64.9-19.8-173.865.10000114.6K305K305-S308 PolarHBondContact O-N 3.49Å; K305-S308 VanDerWaalsContact O-N 3.13Å; K305-S308 PolarHBondContact O-OG 3.08Å
309L37.3Very low41.3Very low145 Ų145111.9 Ų111.976%0.75960%0.6SS**THydrogen-bonded Turntrans-83.9-7.1177.2-69.2171.8000114.1Q307Q307-L309 PolarHBondContact O-N 2.81Å; Q307-L309 VanDerWaalsContact O-N 3.14Å
310F30Very low39.8Very low182 Ų182113.9 Ų113.980%0.79861%0.608SS**THydrogen-bonded Turntrans-106.1-14.6-172.3-89.2-81.1000116Q307Q307-F310 PolarHBondContact O-N 2.94Å; Q307-F310 VanDerWaalsContact O-N 3.1Å
311S32.8Very low37.9Very low100 Ų100116 Ų11670%0.69963%0.628SS**SBendtrans-95.6-13.4-175.670.40000115.7
312T29Very low36.1Very low108 Ų108120.2 Ų120.266%0.66366%0.657SS**SBendtrans-144.879.4-174.5480000112.9
313L26.5Very low34.3Very low166 Ų166120.4 Ų120.487%0.86966%0.662SS**  trans179.5118.3150.7-100.7155.1000110.7
314P25.5Very low32.5Very low113 Ų113122 Ų12273%0.73468%0.675SS**  trans-79.3126.3170.431-31.2000111.1
315F24.1Very low31Very low196 Ų196123.2 Ų123.286%0.8669%0.685SS**  trans52.1103.8161.6-71.7-87.4000119.4
316S25.6Very low29.6Very low119 Ų119126.1 Ų126.183%0.83270%0.7SS**  trans-146.6115.5132.866.30000111.5M318S316-M318 PolarHBondContact O-N 3.47Å
317N23.2Very low29Very low149 Ų149124.5 Ų124.580%0.79770%0.695SS**  trans-67.6117.9175.8-73.3-30.6000111
318M25.3Very low28.2Very low155 Ų155126.6 Ų126.676%0.76471%0.713SS**  trans-127.3104.1154.1-108.4-123.566.400109.8S316S316-M318 PolarHBondContact O-N 3.47Å
319T23.7Very low28.2Very low127 Ų127130 Ų13078%0.77972%0.72SS**  trans-70.6122.2176.346.30000111.5
320Q25.3Very low28.4Very low171 Ų171126.8 Ų126.880%0.79971%0.707SS**  trans-151.492154.3-110.7170.855.200112.2
321S23.6Very low29.6Very low96 Ų96122 Ų12267%0.67169%0.689SS**  trans47.8100.7139.855.80000123
322T21.4Very low30.7Very low131 Ų131117.5 Ų117.580%0.80466%0.657SS**  58.6123.2120.258.80000123.6
323T22.5Very low32.2Very low102 Ų102115.1 Ų115.163%0.62664%0.642SS**  -170.1158.7120.322.90000110.1S365 T366T323-S365 CarbonylContact O-C 3.38Å; T323-S365 VanDerWaalsContact O-O 3.07Å; T323-T366 VanDerWaalsContact C-CB 3.46Å; T323-T366 WeakPolarHBondContact O-CB 3.12Å; T323-T366 WeakPolarHBondContact O-CG2 3.24Å
324T26.2Very low33.9Very low106 Ų106107.6 Ų107.665%0.6560%0.604SS**  trans-126.7117.1-157.152.80000119.4S365 T366T324-S365 VanDerWaalsContact C-OG 3.27Å; T324-S365 WeakPolarHBondContact CA-OG 3.41Å; T324-T366 VanDerWaalsContact C-CB 3.48Å
325S27Very low35.7Very low40 Ų40106.6 Ų106.628%0.2859%0.591SS.*  trans-171.4114.5156.157.10000114.9T327 S365 T366 T367S325-T327 PolarHBondContact O-N 2.88Å; S325-S365 WeakPolarHBondContact CA-OG 3.28Å; S325-S365 PolarHBondContact N-OG 2.82Å; S325-S365 WeakPolarHBondContact O-CB 3.46Å; S325-T366 PolarHBondContact N-OG1 3.24Å; S325-T366 CarbonylContact O-C 3.38Å; S325-T366 VanDerWaalsContact O-CA 3.22Å; S325-T366 WeakPolarHBondContact O-CA 3.32Å; S325-T366 PolarHBondContact OG-OG1 2.78Å; S325-T367 WeakPolarHBondContact OG-CB 3.49Å; S325-T367 WeakPolarHBondContact OG-CG2 3.02Å; S325-T367 PolarHBondContact OG-N 3.42Å; S325-T367 PolarHBondContact OG-OG1 3.26Å
326E28.6Very low37.5Very low176 Ų176100.9 Ų100.982%0.82256%0.564SS**  trans-41.3111.4-173.5-68145.9171.100116.6S365E326-S365 VanDerWaalsContact N-CB 3.29Å
327T36.2Very low39.4Very low84 Ų8499.1 Ų99.152%0.51554%0.544SS..  trans-106.8123.6162.947.80000108.6S325 E329 T367S325-T327 PolarHBondContact O-N 2.88Å; T327-E329 PolarHBondContact O-N 3.19Å; T327-T367 HydrophobicContact CG2-CG2 3.92Å
328T36.3Very low41.1Very low116 Ų11698.5 Ų98.571%0.71254%0.537SS*.  trans-66.4117.8170.840.20000108.7T330T328-T330 PolarHBondContact O-N 3.39Å
329E42.3Very low42.4Very low148 Ų14893.6 Ų93.669%0.69252%0.517SS*.  trans-60.3117.7175.2-69-173.3170.400108.6T327 V353T327-E329 PolarHBondContact O-N 3.19Å; E329-V353 HydrophobicContact CB-CG2 4.34Å; E329-V353 WeakPolarHBondContact O-CG2 3.28Å; E329-V353 PolarHBondContact O-N 3.39Å; E329-V353 VanDerWaalsContact O-N 3.12Å
330T42.2Very low44.1Very low77 Ų7796.9 Ų96.947%0.47252%0.524SS..EExtended strand (participates in β ladder)trans-110.6107.2179.538.10000107.8T328 A332 S351 P352T328-T330 PolarHBondContact O-N 3.39Å; T330-A332 PolarHBondContact O-N 3.19Å; T330-S351 WeakPolarHBondContact CA-O 3.4Å; T330-P352 HydrophobicContact CG2-CB 4.48Å
331I54.5Low45.7Very low83 Ų8395.9 Ų95.943%0.42652%0.524SS..EExtended strand (participates in β ladder)trans-74.9122.2176.1-59.7174.2000107.3T333 S351 V353I331-T333 HydrophobicContact CG2-CG2 4.11Å; I331-S351 PolarHBondContact N-O 3.09Å; I331-S351 PolarHBondContact O-N 3.23Å; I331-S351 PolarHBondContact O-OG 3.17Å; I331-V353 HydrophobicContact CD1-CG2 3.69Å; I331-V353 HydrophobicContact CG1-CG2 3.78Å
332A55.1Low47Very low4 Ų497.4 Ų97.43%0.03353%0.529CS..EExtended strand (participates in β ladder)trans-97.9108.7173.200000108.6I303 Q307 T330 I348 K349 K350I303-A332 HydrophobicContact CG2-CB 4.18Å; Q307-A332 PolarHBondContact NE2-O 2.67Å; Q307-A332 PolarHBondContact OE1-O 2.85Å; T330-A332 PolarHBondContact O-N 3.19Å; A332-I348 HydrophobicContact CB-CG2 4.21Å; A332-K349 WeakPolarHBondContact CA-O 3.17Å; A332-K350 HydrophobicContact CB-CG 4.16Å
333T62.2Low48.7Very low58 Ų5892.9 Ų92.936%0.35651%0.508SS..EExtended strand (participates in β ladder)trans-95.3127.8176510000109.9I331 I348 K349I331-T333 HydrophobicContact CG2-CG2 4.11Å; T333-I348 CarbonylContact O-C 3.57Å; T333-I348 WeakPolarHBondContact O-CA 3.27Å; T333-K349 PolarHBondContact N-O 3.21Å; T333-K349 PolarHBondContact O-N 3.11Å; T333-K349 PolarHBondContact OG1-O 2.89Å
334A61.2Low50.6Low8 Ų893.5 Ų93.57%0.06650%0.504CS..EExtended strand (participates in β ladder)trans-94.3126.3170.700000109.5V289 I292 I346 L347V289-A334 HydrophobicContact CG2-CB 4.26Å; I292-A334 HydrophobicContact CD1-CB 3.65Å; A334-I346 HydrophobicContact CB-CG2 4.27Å; A334-L347 CarbonylContact C-O 3.55Å; A334-L347 WeakPolarHBondContact CA-O 3.34Å
335M62.5Low52.4Low92 Ų9291.1 Ų91.145%0.45349%0.494SS..EExtended strand (participates in β ladder)trans-126.2135.6177.5-67.5-176.667.600110.1I346 L347M335-I346 CarbonylContact O-C 3.39Å; M335-I346 WeakPolarHBondContact O-CA 3.28Å; M335-L347 PolarHBondContact N-O 2.84Å; M335-L347 PolarHBondContact O-N 3.23Å
336R63.3Low54.3Low76 Ų7692.2 Ų92.229%0.28750%0.496SS..EExtended strand (participates in β ladder)trans-82.5128.1172.2-163.7-179.1-133.1-166.45.2109.1Q291Q291-R336 VanDerWaalsContact OE1-NH2 3.08Å
337I64.3Low56.1Low82 Ų8288 Ų8842%0.42148%0.479SS..EExtended strand (participates in β ladder)trans-109.4124.3170.8-57.3178.1000107.2A345 L347I337-A345 PolarHBondContact N-O 2.89Å; I337-A345 PolarHBondContact O-N 3.01Å; I337-L347 HydrophobicContact CD1-CB 3.87Å; I337-L347 HydrophobicContact CD1-CD1 4.39Å; I337-L347 HydrophobicContact CD1-CD2 4.4Å; I337-L347 HydrophobicContact CD1-CG 4.45Å; I337-L347 HydrophobicContact CG1-CB 4.37Å
338Q58.8Low57.7Low137 Ų13788 Ų8864%0.6448%0.475SS*.EExtended strand (participates in β ladder)trans-100.5121.5168.1-74.2175.3-31.200107.8H344Q338-H344 PolarHBondContact NE2-NE2 2.95Å
339S53.7Low59.2Low51 Ų5188.5 Ų88.536%0.35747%0.467SS..EExtended strand (participates in β ladder)trans-103.2143.8166.162.10000108.5D341 V342 G343S339-D341 PolarHBondContact O-N 3.26Å; S339-V342 VanDerWaalsContact OG-C 3.28Å; S339-V342 WeakPolarHBondContact OG-CA 3.2Å; S339-V342 WeakPolarHBondContact OG-CB 3.45Å; S339-V342 PolarHBondContact OG-N 2.91Å; S339-V342 VanDerWaalsContact OG-N 3.11Å; S339-G343 PolarHBondContact N-O 2.77Å; S339-G343 PolarHBondContact OG-N 3.32Å; S339-G343 PolarHBondContact OG-O 3.16Å; S339-G343 VanDerWaalsContact OG-O 3.09Å
340Q58.4Low59.9Low197 Ų19788.3 Ų88.392%0.92146%0.464SS*.THydrogen-bonded Turntrans-62.5-34.8178-73.2177.3-27.600111.3
341D59.4Low60.4Low150 Ų15086.7 Ų86.780%0.80246%0.456SS*.THydrogen-bonded Turntrans-105.3-21.3-169.4-46.2-49000115.2S339S339-D341 PolarHBondContact O-N 3.26Å
342V51.1Low59.9Low128 Ų12886.6 Ų86.678%0.77646%0.461SS*.THydrogen-bonded Turntrans-123.88.3-167.4-153.70000113.1S339S339-V342 VanDerWaalsContact OG-C 3.28Å; S339-V342 WeakPolarHBondContact OG-CA 3.2Å; S339-V342 WeakPolarHBondContact OG-CB 3.45Å; S339-V342 PolarHBondContact OG-N 2.91Å; S339-V342 VanDerWaalsContact OG-N 3.11Å
343G57.2Low59.2Low35 Ų3589.6 Ų89.636%0.36148%0.479SS..EExtended strand (participates in β ladder)trans77.3-154.5175.500000114.7S339S339-G343 PolarHBondContact N-O 2.77Å; S339-G343 PolarHBondContact OG-N 3.32Å; S339-G343 PolarHBondContact OG-O 3.16Å; S339-G343 VanDerWaalsContact OG-O 3.09Å
344H62.5Low58Low116 Ų11693.7 Ų93.754%0.53750%0.499SS..EExtended strand (participates in β ladder)trans-96.1120.1-170.4-66.484.2000112Q338Q338-H344 PolarHBondContact NE2-NE2 2.95Å
345A64.4Low56.5Low55 Ų55102.1 Ų102.146%0.45554%0.536SS..EExtended strand (participates in β ladder)trans-111.7152.117000000111I337I337-A345 PolarHBondContact N-O 2.89Å; I337-A345 PolarHBondContact O-N 3.01Å
346I65.6Low54.8Low63 Ų63105 Ų10532%0.32355%0.553SS.*EExtended strand (participates in β ladder)trans-116.2111.4171.4-51.7176.3000109A288 I292 A334 M335A288-I346 HydrophobicContact CB-CG2 4.33Å; I292-I346 HydrophobicContact CD1-CG2 3.78Å; I292-I346 HydrophobicContact CG1-CD1 4.19Å; I292-I346 HydrophobicContact CG1-CG2 4.46Å; A334-I346 HydrophobicContact CB-CG2 4.27Å; M335-I346 CarbonylContact O-C 3.39Å; M335-I346 WeakPolarHBondContact O-CA 3.28Å
347L68Low53.1Low88 Ų88108.5 Ų108.546%0.46158%0.578SS.*EExtended strand (participates in β ladder)trans-86.1122.5177.3-169.687.3000109.5A334 M335 I337 K349A334-L347 CarbonylContact C-O 3.55Å; A334-L347 WeakPolarHBondContact CA-O 3.34Å; M335-L347 PolarHBondContact N-O 2.84Å; M335-L347 PolarHBondContact O-N 3.23Å; I337-L347 HydrophobicContact CD1-CB 3.87Å; I337-L347 HydrophobicContact CD1-CD1 4.39Å; I337-L347 HydrophobicContact CD1-CD2 4.4Å; I337-L347 HydrophobicContact CD1-CG 4.45Å; I337-L347 HydrophobicContact CG1-CB 4.37Å; L347-K349 HydrophobicContact CD2-CB 4.49Å
348I68.1Low51.3Low83 Ų83113.9 Ų113.943%0.42660%0.601SS.*EExtended strand (participates in β ladder)trans-102.598.6171.9-56.6176.9000108.6I292 I300 A332 T333I292-I348 HydrophobicContact CD1-CD1 4.28Å; I292-I348 HydrophobicContact CD1-CG1 4.47Å; I300-I348 HydrophobicContact CG2-CD1 4.46Å; A332-I348 HydrophobicContact CB-CG2 4.21Å; T333-I348 CarbonylContact O-C 3.57Å; T333-I348 WeakPolarHBondContact O-CA 3.27Å
349K68.1Low49.6Very low127 Ų127118.5 Ų118.555%0.55261%0.612SS**EExtended strand (participates in β ladder)trans-90.7116.7178-174.6178.3-178.5-1800109.9A332 T333 L347A332-K349 WeakPolarHBondContact CA-O 3.17Å; T333-K349 PolarHBondContact N-O 3.21Å; T333-K349 PolarHBondContact O-N 3.11Å; T333-K349 PolarHBondContact OG1-O 2.89Å; L347-K349 HydrophobicContact CD2-CB 4.49Å
350K56.7Low48.3Very low144 Ų144122.4 Ų122.463%0.62663%0.634SS**EExtended strand (participates in β ladder)trans-86118.4167.1-66.4-176.6-179.9-178.60109.2A332A332-K350 HydrophobicContact CB-CG 4.16Å
351S53.6Low46.5Very low44 Ų44122.1 Ų122.131%0.30863%0.63SS.*EExtended strand (participates in β ladder)trans-112.5131.3170.845.50000110T330 I331T330-S351 WeakPolarHBondContact CA-O 3.4Å; I331-S351 PolarHBondContact N-O 3.09Å; I331-S351 PolarHBondContact O-N 3.23Å; I331-S351 PolarHBondContact O-OG 3.17Å
352P43.1Very low44.8Very low81 Ų81122.3 Ų122.353%0.52663%0.63SS.*EExtended strand (participates in β ladder)trans-65.5141.1166.630-33.3000109.5T330 N354T330-P352 HydrophobicContact CG2-CB 4.48Å; P352-N354 PolarHBondContact O-N 3.04Å
353V41.7Very low43.8Very low67 Ų67120.8 Ų120.841%0.40662%0.623SS.*  trans-70.3110.5171.5173.30000108.9E329 I331 Q355E329-V353 HydrophobicContact CB-CG2 4.34Å; E329-V353 WeakPolarHBondContact O-CG2 3.28Å; E329-V353 PolarHBondContact O-N 3.39Å; E329-V353 VanDerWaalsContact O-N 3.12Å; I331-V353 HydrophobicContact CD1-CG2 3.69Å; I331-V353 HydrophobicContact CG1-CG2 3.78Å; V353-Q355 PolarHBondContact O-N 2.72Å
354N36.9Very low42.2Very low144 Ų144122.2 Ų122.277%0.7763%0.627SS**  trans-72.4120.8166.6-77.8-13.7000108.7P352 L356P352-N354 PolarHBondContact O-N 3.04Å; N354-L356 PolarHBondContact O-N 2.86Å; N354-L356 VanDerWaalsContact O-N 3.12Å
355Q28.5Very low40.4Very low184 Ų184119.1 Ų119.186%0.8662%0.619SS**  trans-74.997.6176.1-68.3176.3-6.900110.7V353V353-Q355 PolarHBondContact O-N 2.72Å
356L27.3Very low38.6Very low154 Ų154119.3 Ų119.381%0.80661%0.614SS**  trans-158.9127.9157-12583.2000104.7N354N354-L356 PolarHBondContact O-N 2.86Å; N354-L356 VanDerWaalsContact O-N 3.12Å
357D27.9Very low36.8Very low149 Ų149120.3 Ų120.380%0.79762%0.624SS**  cis-111.9144.819.3-71.1-51.4000114.9R359D357-R359 PolarHBondContact O-N 2.81Å; D357-R359 VanDerWaalsContact O-N 3.08Å
358E25.6Very low34.8Very low194 Ų194124.3 Ų124.391%0.90764%0.644SS**  trans-71.999.3172.4-72.7-155155.400112.7
359R24.7Very low32.9Very low235 Ų235128.2 Ų128.289%0.88767%0.666SS**  trans-134.6120.3140.7-71.7-165.5173.2174.4-0.3111.8D357D357-R359 PolarHBondContact O-N 2.81Å; D357-R359 VanDerWaalsContact O-N 3.08Å
360T25.1Very low31.1Very low132 Ų132128.9 Ų128.981%0.8168%0.675SS**  trans7379.7161.345.40000121.1
361K22Very low29.9Very low192 Ų192130.5 Ų130.584%0.83569%0.685SS**  65.8135.7122.7-77.5-175.6174-178.20123.1
362L23.5Very low28.6Very low153 Ų153139.6 Ų139.680%0.80171%0.712SS**  trans87.1156.6145-103.286.1000118.3
363P29.7Very low28Very low97 Ų97142.9 Ų142.963%0.6373%0.725SS**  -135.6162.4-102.942.3-25.3000117.2
364S23.8Very low27.4Very low64 Ų64147 Ų14745%0.44874%0.743SS.*  trans50.185.8145.9700000119.5
365S24.6Very low26.9Very low52 Ų52145.1 Ų145.136%0.36474%0.737SS.*  81.6177.5117.561.80000124.2T323 T324 S325 E326T323-S365 CarbonylContact O-C 3.38Å; T323-S365 VanDerWaalsContact O-O 3.07Å; T324-S365 VanDerWaalsContact C-OG 3.27Å; T324-S365 WeakPolarHBondContact CA-OG 3.41Å; S325-S365 WeakPolarHBondContact CA-OG 3.28Å; S325-S365 PolarHBondContact N-OG 2.82Å; S325-S365 WeakPolarHBondContact O-CB 3.46Å; E326-S365 VanDerWaalsContact N-CB 3.29Å
366T27.1Very low27Very low58 Ų58147.5 Ų147.536%0.35674%0.739SS.*  -154.7-177.157.2-167.40000119.6T323 T324 S325T323-T366 VanDerWaalsContact C-CB 3.46Å; T323-T366 WeakPolarHBondContact O-CB 3.12Å; T323-T366 WeakPolarHBondContact O-CG2 3.24Å; T324-T366 VanDerWaalsContact C-CB 3.48Å; S325-T366 PolarHBondContact N-OG1 3.24Å; S325-T366 CarbonylContact O-C 3.38Å; S325-T366 VanDerWaalsContact O-CA 3.22Å; S325-T366 WeakPolarHBondContact O-CA 3.32Å; S325-T366 PolarHBondContact OG-OG1 2.78Å
367T27Very low27.1Very low85 Ų85147.9 Ų147.952%0.52174%0.742SS.*  trans-106.4139.2179.4570000116.1S325 T327S325-T367 WeakPolarHBondContact OG-CB 3.49Å; S325-T367 WeakPolarHBondContact OG-CG2 3.02Å; S325-T367 PolarHBondContact OG-N 3.42Å; S325-T367 PolarHBondContact OG-OG1 3.26Å; T327-T367 HydrophobicContact CG2-CG2 3.92Å
368L26.5Very low27Very low172 Ų172147.3 Ų147.390%0.90174%0.744SS**  trans-136.9147.3158.9-79176.2000111.7
369N27.2Very low27Very low164 Ų164146.6 Ų146.688%0.87774%0.741SS**  trans-82.9148.3-170.6-79.1-55.7000114.3
370L29.8Very low27.2Very low141 Ų141143.3 Ų143.374%0.73874%0.741SS**SBendtrans-880.6-166.7-81.1163.8000116.7R372L370-R372 PolarHBondContact O-N 3.03Å
371E32.3Very low27.4Very low178 Ų178145.3 Ų145.383%0.83275%0.746SS**THydrogen-bonded Turntrans-81-9.3-163.7-150.7171.1-15300115.7
372R26.4Very low27.4Very low236 Ų236143.7 Ų143.789%0.89175%0.746SS**THydrogen-bonded Turntrans-97.90-175-82.8-170.2-179.3175.81.8116.8L370L370-R372 PolarHBondContact O-N 3.03Å
373L30.8Very low27.6Very low150 Ų150142.5 Ų142.579%0.78575%0.745SS**SBendtrans-91-1.1-174.8-84162.2000115.1T375L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 3.19Å
374I28.9Very low27.4Very low154 Ų154142.3 Ų142.379%0.7975%0.746SS**SBendtrans-80.2-11.6-174.9-65.9175.5000112.9
375T25.8Very low27.4Very low104 Ų104146.3 Ų146.364%0.63876%0.763SS**  trans-127.184.8-174.458.30000113.4L373L373-T375 VanDerWaalsContact C-N 3.33Å; L373-T375 PolarHBondContact O-N 3.19Å
376Y31.1Very low27.3Very low233 Ų233152.3 Ų152.391%0.91479%0.785SS**  trans-143.9119.5144.7-97.8-73000110
377N29.5Very low27Very low162 Ų162153.5 Ų153.587%0.86679%0.794SS**  trans-81.7163.3-175.9-88.4-17.1000112.6E379N377-E379 PolarHBondContact O-N 3.5Å
378T26Very low26.7Very low137 Ų137158.2 Ų158.284%0.8481%0.808SS**  trans-8982.8-176.951.30000112.8
379E26.1Very low26.6Very low180 Ų180160.3 Ų160.384%0.84181%0.81SS**  trans-142.6108.4159.7-70.8-167.7170.300109.2N377N377-E379 PolarHBondContact O-N 3.5Å
380D27.6Very low26.3Very low165 Ų165159.6 Ų159.688%0.88281%0.811SS**  trans153.2113.4156.6-88.4-20.6000108.9
381L29.4Very low26Very low175 Ų175155.7 Ų155.792%0.91681%0.805SS**  trans171.178.4149.6-95.6170.8000108.7
382N22.1Very low25.5Very low157 Ų157155 Ų15584%0.8481%0.805SS**  trans-120.5100.2168.5-169.819.8000107.7
383V28.9Very low25.2Very low129 Ų129150.6 Ų150.678%0.78280%0.798SS**  trans-143.7109.7177.5-177.10000109.4
384S23.5Very low24.7Very low92 Ų92153.2 Ų153.264%0.64380%0.804SS**  trans-102.6155160.7-66.90000110.4
385D25Very low24.3Very low149 Ų149149.2 Ų149.280%0.79780%0.801SS**  trans73.8112.3150.4-59.6-19.9000122.1
386E22.8Very low24.1Very low177 Ų177151 Ų15183%0.82781%0.806SS**  84.5114.1128.4-68.7-131.913600123.2
387C19.5Very low23.6Very low83 Ų83146.7 Ų146.756%0.56180%0.795SS**  trans71.1106.6130.6-102.20000122.9
388K22Very low23.2Very low184 Ų184145 Ų14580%0.879%0.785SS**  51.3101.5127.7-58.6170.8-170.2157.80119
389K24Very low23.1Very low216 Ų216145.6 Ų145.694%0.93978%0.776SS**  -175.8162.6107.4-105.6174.3-179.8175.70114.6
390V21.7Very low22.8Very low149 Ų149143.6 Ų143.690%0.90377%0.767SS**  trans-76.3138.5-175.9174.40000112.7
391G22.2Very low22.5Very low60 Ų60143 Ų14362%0.61976%0.762SS**  trans114.4107.6131.400000120.7
392I22.1Very low22.4Very low163 Ų163140 Ų14084%0.83675%0.754SS**  trans75.4103.1137.7-54.2178.4000119.8
393L20Very low22.3Very low143 Ų143139.3 Ų139.375%0.74975%0.749SS**  trans45.3119.6132.8-58.4175.5000122.9
394K20.1Very low22.2Very low205 Ų205141.3 Ų141.389%0.89176%0.756SS**  trans64124.9135.4-65.7-176.7175.5-174.40120
395G21.2Very low22Very low71 Ų71139.9 Ų139.973%0.73276%0.756SS**  trans150.180.9147.500000117.3
396D21.8Very low21.9Very low141 Ų141143.1 Ų143.175%0.75476%0.763SS**  trans48.2125.5131.7-90.4-45.1000123.5
397Q21.1Very low21.9Very low143 Ų143142.9 Ų142.967%0.66876%0.764SS**  trans79.4118.4135.1-55.3-66.7-39.700122.5
398N21.1Very low22.2Very low125 Ų125143.4 Ų143.467%0.66877%0.769SS**  85.3124.1127.4-70.5-28.5000124.4
399K23.2Very low22.2Very low150 Ų150142.5 Ų142.565%0.65277%0.768SS**  92.4123.5128.3-80.4171.6159.7-87.40123.1
400E19.9Very low22.1Very low138 Ų138139.6 Ų139.665%0.64576%0.762SS**  73.6107.5128.4-67.8161.3-18000122.2
401I20.7Very low22.2Very low153 Ų153138.5 Ų138.579%0.78576%0.758SS**  41.1129.2113.3-58.9168.8000117
402P28.2Very low22.1Very low113 Ų113142 Ų14273%0.73477%0.772SS**  -151.2173.653.633-8.5000120.3
403N19.9Very low22.2Very low141 Ų141138.8 Ų138.875%0.75476%0.764SS**  trans3.8136.1148.1-52.8-8.4000121.5
404D25.4Very low22.2Very low171 Ų171138.7 Ų138.791%0.91477%0.769SS**  -166.2156.496.2-102-20.4000110.6
405G20.7Very low22.4Very low63 Ų63137.6 Ų137.665%0.64977%0.767SS**  trans-119.8167.5-17100000115.1
406F23.5Very low22.3Very low216 Ų216142.5 Ų142.595%0.94777%0.771SS**  trans-154.7160.1155-113.4-79.1000112
407M22.3Very low22.5Very low173 Ų173142.4 Ų142.485%0.85278%0.776SS**  trans-72.6142.5-167.1-66.7-81.217600115.7
408S24.8Very low22.5Very low93 Ų93142.1 Ų142.165%0.6578%0.779SS**  147.2135.6107.6-144.80000115.4
409E23.1Very low22.6Very low166 Ų166143.8 Ų143.878%0.77679%0.786SS**  trans64.987.9149.9-74.5162.5-123.500122.4
410N21.9Very low22.7Very low155 Ų155141.6 Ų141.683%0.82979%0.79SS**  5195.1126.3-62.9-7.1000121.5
411P23Very low22.8Very low126 Ų126141.4 Ų141.482%0.81880%0.798SS**PPolyproline II helixtrans-86.8139.114033.5-27.7000110.9
412C20.7Very low22.9Very low134 Ų134142 Ų14291%0.90580%0.803SS**PPolyproline II helixtrans-86.9130.5178.2-166.30000111.6
413S22.9Very low22.7Very low95 Ų95145.1 Ų145.166%0.66481%0.805SS**PPolyproline II helixtrans-57.9133.3-165-46.50000117.2
414T21.8Very low22.9Very low140 Ų140145.3 Ų145.386%0.85981%0.806SS**PPolyproline II helixtrans-61130.4135.817.50000109.1
415Q22.4Very low22.8Very low183 Ų183144.7 Ų144.786%0.85580%0.801SS**  trans-104.6112.4164.8-77.5-172.2-23.400109.3
416E19.6Very low22.8Very low173 Ų173147.1 Ų147.181%0.80880%0.803SS**  trans-81.1130.6159.8-61.8177.9155.900108.9
417T26.3Very low22.9Very low139 Ų139146.6 Ų146.685%0.85380%0.796SS**  trans-138.4115.1149.344.30000110.1
418N21.2Very low22.9Very low138 Ų138143.7 Ų143.774%0.73878%0.784SS**  trans-62.5154.9169.9-62.1-75.9000111.2
419I24.4Very low22.8Very low159 Ų159145 Ų14582%0.81579%0.793SS**  172.6134.4112.9-88.2158000112.8
420S24.1Very low22.7Very low105 Ų105145.5 Ų145.573%0.73480%0.796SS**  trans54.5109.4157-67.20000122.3
421T21.1Very low22.7Very low134 Ų134144.5 Ų144.582%0.82280%0.799SS**  trans-29.5136.5135.750.10000115.5
422N24.4Very low22.7Very low165 Ų165144 Ų14488%0.88279%0.794SS**  trans-149.2155.9135.8-131.5-23.5000112.6
423K23.7Very low22.9Very low178 Ų178143.4 Ų143.477%0.77479%0.789SS**  trans-88.3158.6-166.7-64.1170.9177.6172.20113.3
424N22.9Very low23Very low146 Ų146147 Ų14778%0.78180%0.798SS**  trans56117150.4-62.8-4.1000118.7
425I25Very low23.1Very low158 Ų158149.1 Ų149.181%0.8180%0.796SS**  179.7138.4104.7-91.4154.9000111.1
426V20.1Very low23Very low114 Ų114148.8 Ų148.869%0.69180%0.799SS**  trans-53.3137.4169.5169.90000112.5
427Y24.3Very low23.3Very low204 Ų204146.4 Ų146.480%0.880%0.796SS**  trans-150.4122.1135-107.6-73.2000112.9
428N24Very low23.1Very low112 Ų112146.5 Ų146.560%0.59979%0.791SS**  trans20120.6152-58.4-7.5000121.3E430N428-E430 PolarHBondContact O-N 3.42Å
429S22.4Very low23.2Very low121 Ų121148 Ų14885%0.84680%0.797SS**  28.286.7112.4-48.60000118.8
430E21.6Very low23.2Very low177 Ų177148.5 Ų148.583%0.82780%0.797SS**  trans-115.892.5152.3-73.7-167.4162.600110N428 T432N428-E430 PolarHBondContact O-N 3.42Å; E430-T432 PolarHBondContact O-N 2.85Å
431C20.2Very low23Very low134 Ų134152.3 Ų152.391%0.90580%0.803SS**  trans-78.5102.1169-171.70000108.5
432T23.7Very low22.9Very low116 Ų116156.5 Ų156.571%0.71281%0.805SS**  trans-101.7142174.845.80000111.5E430E430-T432 PolarHBondContact O-N 2.85Å
433P24.6Very low22.8Very low121 Ų121153.7 Ų153.779%0.78680%0.798SS**  trans-101.9143.3-161.137.3-33.1000113.4
434I26.3Very low22.7Very low169 Ų169152 Ų15287%0.86780%0.798SS**  trans-122.9101.1169.1-57.6-176.3000110.6
435K22.5Very low22.6Very low186 Ų186152.5 Ų152.581%0.80980%0.795SS**  trans5124.2160-71.5174.2172.5175.80118.8
436L20Very low22.6Very low175 Ų175151.7 Ų151.792%0.91679%0.788SS**  trans-61.3140.6145.2-73.187.9000109.9
437V27.2Very low22.6Very low124 Ų124154.2 Ų154.275%0.75279%0.792SS**  trans-132.4139.1164177.50000107.6
438N21.8Very low22.4Very low140 Ų140150.1 Ų150.175%0.74979%0.788SS**  trans-62.4148-171.1-62.5-6.7000112.9
439I23.2Very low22.1Very low169 Ų169149.5 Ų149.587%0.86779%0.792SS**  trans-113.3104169.4-59.9174.3000107
440E23.4Very low22.3Very low171 Ų171151.8 Ų151.880%0.79979%0.793SS**  trans-115.9128.7169.1-76.1179.6164.600109.7
441E20.4Very low22.2Very low184 Ų184149 Ų14986%0.8679%0.788SS**  trans35.6121.7156.6-58.3-170.213800123.2
442Y18.7Very low22.3Very low223 Ų223147.2 Ų147.288%0.87578%0.778SS**  trans6.5124.5139.9-76.7-95.6000119.6
443S23.3Very low22.2Very low106 Ų106150 Ų15074%0.74178%0.782SS**  178.7136104.3-72.90000113.8
444D20.7Very low22Very low142 Ų142150 Ų15076%0.75978%0.78SS**  trans44.1116.8138.4-60-8.6000123.9
445E21.3Very low21.8Very low157 Ų157147 Ų14773%0.73477%0.77SS**  71.5138.5126.9-60.1-147141.300124.5
446H24.1Very low21.8Very low140 Ų140144.9 Ų144.965%0.64877%0.767SS**  trans90117.5145.5-73.91000122.4
447Q21.6Very low22.3Very low167 Ų167144.9 Ų144.978%0.7877%0.768SS**  trans68.9149.3136.4-63.11793600118.7
448V19.5Very low22Very low118 Ų118148.1 Ų148.172%0.71577%0.772SS**  cis-172.7143.7-15.5132.80000104.2
449S18.2Very low22.2Very low99 Ų99146 Ų14669%0.69277%0.768SS**  trans10.5128.1158.1-45.50000121.9
450I26.6Very low22.1Very low169 Ų169146.4 Ų146.487%0.86777%0.766SS**  trans-133.2137.4135.2-62.7-174.2000109.4
451T19.4Very low22.2Very low118 Ų118147.1 Ų147.172%0.72477%0.767SS**  trans-139.2120.3-177.6-45.50000110.5
452S22.2Very low22.4Very low98 Ų98144.4 Ų144.469%0.68576%0.759SS**  trans179.4117.7161.350.20000108.4
453H20.3Very low22.6Very low173 Ų173140.3 Ų140.380%0.80175%0.752SS**  65.1140.266.2-74.9-74.8000115.8
454V22Very low22.5Very low123 Ų123142.1 Ų142.175%0.74575%0.753SS**  trans121.796.3147.9-178.80000117.3
455T22.4Very low22.6Very low105 Ų105141.3 Ų141.364%0.64476%0.757SS**  trans64123.9139.263.80000124.2
456D21.6Very low22.5Very low142 Ų142142.7 Ų142.776%0.75976%0.764SS**  49.9124.9119-46.8-19000121.2
457N31.3Very low22.7Very low175 Ų175143.8 Ų143.894%0.93678%0.775SS**  trans-148.5164.9132.7-109.4-45.8000112.6
458K20.8Very low22.8Very low191 Ų191142.5 Ų142.583%0.8377%0.773SS**  trans-128.5171.5-151.1-167.5175.1-177.91760112
459S24.4Very low23.1Very low96 Ų96144 Ų14467%0.67178%0.777SS**  trans80.6110.2159.871.20000121.4
460Q21.6Very low23.5Very low177 Ų177148.9 Ų148.983%0.82779%0.786SS**  53.5127.9119.7-62.9174.8-12.100120.8
461F25.9Very low24.5Very low187 Ų187146.1 Ų146.182%0.8278%0.779SS**  -174.6116.7118.9-109.9-80000112.6
462N24.6Very low24.7Very low126 Ų126146.6 Ų146.667%0.67478%0.784SS**  trans27.2120.2141.3-56.64.1000124.3
463D22.4Very low24.8Very low137 Ų137149.6 Ų149.673%0.73379%0.79SS**  46.2138.9110.1-59.6-3.1000124.9
464N22.1Very low24.9Very low145 Ų145149.8 Ų149.878%0.77579%0.789SS**  trans78114.9148.7-63.1-25.2000120.8
465C23.1Very low25Very low125 Ų125149.8 Ų149.885%0.84579%0.785SS**  177.8137.893.1-96.10000113
466E19.6Very low24.9Very low185 Ų185150 Ų15086%0.86479%0.791SS**  trans-80.1158.6162.1-62.9170.2124.900111
467N26.8Very low25.1Very low164 Ų164151 Ų15188%0.87780%0.795SS**  trans-169.9137.6144.8-105.4-46.6000113.4
468D23.7Very low24.7Very low140 Ų140149.1 Ų149.175%0.74979%0.785SS**  trans-79.3156.8171-69.8-66.9000113.3
469N26.6Very low25.1Very low148 Ų148147.2 Ų147.279%0.79178%0.784SS**  152.1118.2121.2-84.3-74.4000116.3
470K25.6Very low25.1Very low203 Ų203149 Ų14988%0.88379%0.786SS**  trans52.5154.2143.5-92.4-171.1170175.40124.5
471P47.7Very low25.3Very low111 Ų111148 Ų14872%0.72178%0.783SS**  trans-104.9178.7-17543.1-36.6000114.7
472P24.7Very low25.1Very low128 Ų128143.5 Ų143.583%0.83178%0.775SS**  -145178.3119.939.7-25.2000116.1
473I24Very low25.3Very low160 Ų160144.9 Ų144.982%0.82178%0.782SS**  trans-82.6141.5179.7-60.6151.8000111.4
474K22.8Very low25.6Very low177 Ų177146.7 Ų146.777%0.7779%0.787SS**  trans168.7144.7130.8-96.3-178.3177.8-163.80116.2
475D22.6Very low25.9Very low124 Ų124146.3 Ų146.366%0.66379%0.789SS**  trans42.3121.9139.4-52.5-34.8000122.3
476S21.1Very low25.9Very low110 Ų110148.3 Ų148.377%0.76979%0.79SS**  42.3122.3125.3-49.20000120.6
477L25.7Very low26.1Very low161 Ų161144.6 Ų144.684%0.84378%0.783SS**  trans-158.5148.4131.4-106.1168.8000111.5
478N22.3Very low25.9Very low136 Ų136145.4 Ų145.473%0.72778%0.781SS**  trans-68168178.6-52.6-49.5000112.8
479D29.8Very low25.8Very low151 Ų151143.9 Ų143.981%0.80778%0.781SS**  -168.1143.1116.2-89.2-22.1000113.6
480D25.4Very low25.6Very low135 Ų135141.2 Ų141.272%0.72277%0.774SS**  trans66.8111.6151.4-75.4-17.2000126.8
481M25.3Very low25.5Very low154 Ų154137 Ų13776%0.75977%0.771SS**  88.893125.6-65.6-64.7-167.900122.9
482S21.7Very low24.2Very low93 Ų93138.2 Ų138.265%0.6578%0.776SS**  32.8117.4113.7-49.20000121.2
483N28Very low24.1Very low155 Ų155138.4 Ų138.483%0.82977%0.768SS**  -178.7159.1119.1-92.9-23.5000114
484E29.2Very low23.9Very low176 Ų176134.7 Ų134.782%0.82276%0.757SS**  trans58.395162.2-67.6172.9167.700117.8
485V27.8Very low23.9Very low136 Ų136135.3 Ų135.382%0.82476%0.759SS**  64.993.276.8-176.60000113.2
486L23.3Very low23.8Very low167 Ų167139 Ų13987%0.87477%0.77SS**  trans-72.3131.1165.9-79.1160.7000111.1
487P25.1Very low23.8Very low108 Ų108138.7 Ų138.770%0.70176%0.76SS**  trans-81.2138.7156.232.3-29.4000110.9
488E21.5Very low23.6Very low181 Ų181139.3 Ų139.385%0.84676%0.756SS**  trans63.172.3148.1-57.5-173.1-179.500118.9
489S21.1Very low23.6Very low107 Ų107137.9 Ų137.975%0.74876%0.756SS**  -37147.2117.953.30000112.1
490S23Very low23.4Very low92 Ų92135.1 Ų135.164%0.64375%0.749SS**  cis-177.5140.96.942.10000108.2
491S23.1Very low23.5Very low116 Ų116135.5 Ų135.581%0.81175%0.751SS**  trans-125.344.517665.30000114.2I493S491-I493 PolarHBondContact O-N 3.5Å
492T20.8Very low23.4Very low135 Ų135137.6 Ų137.683%0.82876%0.756SS**  trans-87.964.8143.250.70000109.3S494T492-S494 PolarHBondContact O-N 3.37Å
493I23.7Very low23.8Very low132 Ų132139.3 Ų139.368%0.67776%0.757SS**  trans-88.287.2162.1-63.5174.2000104.5S491S491-I493 PolarHBondContact O-N 3.5Å
494S19.8Very low23.3Very low83 Ų83140.5 Ų140.558%0.5876%0.757SS**  59.410283.681.30000113.3T492T492-S494 PolarHBondContact O-N 3.37Å
495K21.3Very low23.2Very low189 Ų189139.8 Ų139.882%0.82276%0.758SS**  trans40.383.3141.6-62.3179.9177.7179.60117D497K495-D497 HydrophobicContact CB-CB 4.34Å
496F22Very low22.8Very low202 Ų202138 Ų13889%0.88675%0.752SS**  -97.1108.1124.5-74.1-95.9000104.3
497D19.8Very low22.7Very low104 Ų104137 Ų13756%0.55675%0.746SS**  cis61.3103.228.4-135.953.6000113.8K495K495-D497 HydrophobicContact CB-CB 4.34Å
498K22.2Very low22.6Very low173 Ų173138 Ų13875%0.75275%0.752SS**  trans86.3105.1159.3-65170.2-175.4159.40119.4
499S21.2Very low22.5Very low106 Ų106137.3 Ų137.374%0.74175%0.749SS**  trans56.3116.7131.161.40000118.6
500S25.5Very low22.7Very low93 Ų93140.9 Ų140.965%0.6575%0.754SS**  -163.3135.783.5-111.20000112.7
501D28.6Very low22.7Very low144 Ų144140.9 Ų140.977%0.7775%0.754SS**  trans45.885.8139.7-44.4-40.3000118.2
502F22.7Very low22.7Very low197 Ų197140.1 Ų140.186%0.86475%0.748SS**  trans-125.385.9158-138.3-88.7000112.1
503I29.5Very low23Very low130 Ų130140.9 Ų140.967%0.66775%0.747SS**  trans36.2102.1138.4-55.1175.9000116.7
504E19.3Very low22.8Very low179 Ų179142.2 Ų142.284%0.83676%0.755SS**  trans-47.5131.3150.8170.9-177.5-159.900112.7
505L25.5Very low23Very low161 Ų161146 Ų14684%0.84377%0.767SS**  trans-155.3121.5150.5-107.4170.9000111.7
506S20.2Very low22.9Very low100 Ų100144.2 Ų144.270%0.69976%0.761SS**  trans-28.6137.3-175.1-50.90000121.3
507I22Very low23.1Very low145 Ų145139.8 Ų139.874%0.74475%0.751SS**  trans-66.1136.7151.9-63.9162.2000109.4E509I507-E509 PolarHBondContact O-N 3.21Å
508P21.9Very low23.2Very low128 Ų128143.2 Ų143.283%0.83176%0.756SS**  trans-76.6108.1155-7.725.4000108.6
509E20.4Very low23.1Very low167 Ų167143.3 Ų143.378%0.7876%0.756SS**  trans-67.3137.6175.8-57.8-178.2144.900110.5I507I507-E509 PolarHBondContact O-N 3.21Å
510H24.5Very low23.3Very low183 Ų183144.6 Ų144.685%0.84776%0.755SS**  trans-151.395.8140.1-104.1-61.2000111.5
511S23.3Very low23.3Very low92 Ų92148.5 Ų148.564%0.64376%0.763SS**  trans38.8115.4133.6570000119.9
512S22.8Very low23.2Very low99 Ų99147.6 Ų147.669%0.69276%0.757SS**  98.7108.7122.2-78.10000120.7
513D26.2Very low23.2Very low151 Ų151144.2 Ų144.281%0.80775%0.753SS**  84.3119.9122-56.7-37.4000120.7
514L19.7Very low23Very low161 Ų161142.4 Ų142.484%0.84376%0.757SS**  trans-59.5145.7162.7-58.3161.7000110.6
515I24Very low23.4Very low162 Ų162142.5 Ų142.583%0.83176%0.757SS**  -177.4134126.8-95.2153.4000110.9
516E20Very low23.3Very low151 Ų151142.1 Ų142.171%0.70676%0.755SS**  trans-78.9125.3162173.9-150.2146.300109.2R518E516-R518 IonicContact OE1-CZ 2.69Å; E516-R518 IonicContact OE1-NH1 3.93Å; E516-R518 PolarHBondContact OE1-NH1 3.13Å; E516-R518 IonicContact OE1-NH2 3.95Å
517V26.2Very low23.4Very low110 Ų110144.9 Ų144.967%0.66776%0.762SS**  trans-170116.8144.6134.50000114
518R21.8Very low23.4Very low175 Ų175144.4 Ų144.466%0.6677%0.766SS**  trans29.7119136.6-58.4170176.466.38.4121.2E516E516-R518 IonicContact OE1-CZ 2.69Å; E516-R518 IonicContact OE1-NH1 3.93Å; E516-R518 PolarHBondContact OE1-NH1 3.13Å; E516-R518 IonicContact OE1-NH2 3.95Å
519K20.4Very low23.6Very low175 Ų175146 Ų14676%0.76177%0.767SS**  84.5132.3117.5-78.2-165.8168.1-151.40122.9
520D24.3Very low23.5Very low133 Ų133143.1 Ų143.171%0.71177%0.765SS**  trans78.9144.3146.7-51.6-22.1000119.4
521E26.6Very low23.4Very low176 Ų176138.9 Ų138.982%0.82276%0.756SS**  trans70.9144.3173.7-59.3-164.5136.700117.9
522I25.6Very low23.3Very low125 Ų125141.3 Ų141.364%0.64176%0.762SS**  cis-157.8144-7.7-117.5167.2000110.7
523T23.3Very low23.3Very low126 Ų126143.4 Ų143.477%0.77376%0.764SS**  trans39.5125.5160.864.10000122.4
524A25.5Very low23.1Very low92 Ų92143.4 Ų143.476%0.7676%0.758SS**  148.9140.4114.100000112.8
525E26.6Very low23.1Very low180 Ų180143.3 Ų143.384%0.84175%0.754SS**SBendtrans7495.3167.6-47.9-153.4162.300119.2
526L24.6Very low23Very low153 Ų153140.9 Ų140.980%0.80175%0.751SS**SBendtrans74.577.8141-61168000120.2
527N22.1Very low23.2Very low158 Ų158142.1 Ų142.185%0.84576%0.757SS**  175.299.5107-98.8-22.1000113.1
528V22.7Very low22.9Very low135 Ų135142.1 Ų142.182%0.81876%0.762SS**  trans-146.7122.6157.8178.70000108.5
529L24.6Very low22.9Very low162 Ų162142.5 Ų142.585%0.84878%0.776SS**  trans179.886.8132.9-97.4165.3000110.5
530S19.7Very low22.9Very low106 Ų106143.3 Ų143.374%0.74178%0.782SS**  trans-90.4150.4146.7-67.80000108.1
531S20.9Very low23Very low95 Ų95143.8 Ų143.866%0.66479%0.79SS**  trans52.9114.8167.248.70000115.8
532D21.6Very low22.8Very low143 Ų143142.3 Ų142.377%0.76579%0.787SS**  -178.3165.958.3-109.8-19000113.6
533I23.8Very low22.6Very low143 Ų143143.8 Ų143.873%0.73379%0.791SS**  trans82.5114.1149.2-73.2160.7000121.2
534H21.5Very low22.8Very low150 Ų150145.9 Ų145.969%0.69479%0.792SS**  trans57.9116.3143.5-75.4-97.2000124.2
535E19.7Very low22.7Very low160 Ų160146.9 Ų146.975%0.74878%0.784SS**  49.3109125.7-69.3178.7127.600121.6
536S21.3Very low22.7Very low110 Ų110146.2 Ų146.277%0.76978%0.779SS**  124.3142.3127.1-60.20000118.1
537E23.5Very low22.8Very low177 Ų177148.8 Ų148.883%0.82778%0.779SS**  trans75.996.5158-70.3178.5-168.500121.3
538S20.4Very low23.1Very low110 Ų110147.5 Ų147.577%0.76977%0.772SS**  62.3101.1115.6-570000120.9
539L22.8Very low23.4Very low183 Ų183149.7 Ų149.796%0.95877%0.773SS**  -142.9139.9128.7-85.5-171.4000111.7
540Q19.3Very low23.6Very low192 Ų192150 Ų15090%0.89777%0.774SS**  trans-85.9129.5-174-66160.4-53.600112.7
541V27.6Very low24Very low144 Ų144153.3 Ų153.387%0.87378%0.775SS**  trans-139.6102.6148.1-174.30000110.9
542L21.9Very low24.4Very low144 Ų144154.5 Ų154.575%0.75478%0.784SS**  trans31.7103.7153.2-146.973.5000120.3
543H22.1Very low24.8Very low156 Ų156151.7 Ų151.772%0.72278%0.775SS**  trans-57.6138.9153.2-85.8-112.5000111.3D545H543-D545 IonicContact CE1-OD2 2.69Å; H543-D545 IonicContact CG-OD2 2.98Å; H543-D545 IonicContact ND1-OD1 2.64Å; H543-D545 IonicContact ND1-OD2 3.82Å; H543-D545 PolarHBondContact ND1-OD2 3.31Å
544Q25.6Very low25.3Very low170 Ų170150.4 Ų150.479%0.79478%0.779SS**  trans-140.769.7155.8-135.5167.118.800110.6K546Q544-K546 PolarHBondContact O-N 2.92Å
545D24.5Very low25.8Very low113 Ų113149.4 Ų149.460%0.60478%0.779SS**  trans-60.7100.6173-59.1-63.2000110.2H543H543-D545 IonicContact CE1-OD2 2.69Å; H543-D545 IonicContact CG-OD2 2.98Å; H543-D545 IonicContact ND1-OD1 2.64Å; H543-D545 IonicContact ND1-OD2 3.82Å; H543-D545 PolarHBondContact ND1-OD2 3.31Å
546K26.8Very low26.7Very low167 Ų167148.4 Ų148.473%0.72678%0.778SS**  trans-11292.7162.9-89.9-168.6164.8-158.90108.8Q544 D548Q544-K546 PolarHBondContact O-N 2.92Å; K546-D548 PolarHBondContact O-N 3.01Å
547Y25.7Very low27.6Very low207 Ų207149.2 Ų149.281%0.81277%0.774SS**  trans-74.395157.7-71.2-88000107.9E549Y547-E549 PolarHBondContact O-N 2.92Å
548D29.3Very low28.1Very low131 Ų131147.5 Ų147.570%0.70177%0.77SS**  trans-78.8109163.1-76.1-43.6000107.5K546 I550K546-D548 PolarHBondContact O-N 3.01Å; D548-I550 PolarHBondContact O-N 2.82Å
549E28.6Very low28.9Very low180 Ų180149.7 Ų149.784%0.84177%0.774SS**  trans-58.5122.2178-73.2-178.8134.500110.5Y547 K551Y547-E549 PolarHBondContact O-N 2.92Å; E549-K551 PolarHBondContact O-N 2.89Å
550I29.5Very low29.3Very low168 Ų168148.4 Ų148.486%0.86277%0.768SS**  trans-66.295.9170.7-58.4172.9000108D548 S552D548-I550 PolarHBondContact O-N 2.82Å; I550-S552 PolarHBondContact O-N 3.34Å
551K27.6Very low30.2Very low177 Ų177147.9 Ų147.977%0.7776%0.763SS**  trans-70.9109.8166.8-88.4-173.6172.5-177.90109.4E549 S553E549-K551 PolarHBondContact O-N 2.89Å; K551-S553 PolarHBondContact O-N 2.91Å
552S28.3Very low30.4Very low120 Ų120148 Ų14884%0.83976%0.757SS**  trans-69.780.4159.245.60000110.3I550I550-S552 PolarHBondContact O-N 3.34Å
553S31.9Very low30.8Very low83 Ų83149.1 Ų149.158%0.5876%0.759SS**  trans-102.8106162.748.50000109.1K551 D555K551-S553 PolarHBondContact O-N 2.91Å; S553-D555 PolarHBondContact O-N 2.93Å
554S32.7Very low31.4Very low116 Ų116146.9 Ų146.981%0.81176%0.756SS**  trans-69.776.2170.1-56.70000110.5
555D32.6Very low31.4Very low130 Ų130147.2 Ų147.270%0.69576%0.757SS**  trans-9786.6164.4-89.6-40.9000108.3S553 N557S553-D555 PolarHBondContact O-N 2.93Å; D555-N557 VanDerWaalsContact C-N 3.25Å; D555-N557 PolarHBondContact O-N 3.49Å
556D38.2Very low31.8Very low138 Ų138148 Ų14874%0.73877%0.766SS**  trans-66.681.6173.1-73.5-15.7000110.5
557N40.7Very low31.9Very low127 Ų127148.6 Ų148.668%0.67977%0.771SS**  trans-11289.6159.5-69.5-78.4000108.2D555 D559D555-N557 VanDerWaalsContact C-N 3.25Å; D555-N557 PolarHBondContact O-N 3.49Å; N557-D559 VanDerWaalsContact C-N 3.26Å; N557-D559 PolarHBondContact O-N 2.9Å
558D34.2Very low31.9Very low141 Ų141148.2 Ų148.275%0.75478%0.777SS**THydrogen-bonded Turntrans-61.879.9172.2-68.5-43000111
559D36Very low31.5Very low156 Ų156150.5 Ų150.583%0.83478%0.783SS**THydrogen-bonded Turntrans-159.51.1169-98.8-31.4000114.1N557 F561N557-D559 VanDerWaalsContact C-N 3.26Å; N557-D559 PolarHBondContact O-N 2.9Å; D559-F561 PolarHBondContact O-N 2.91Å
560D32.3Very low31.3Very low156 Ų156148 Ų14883%0.83478%0.78SS**  trans-80.387.4177.4-85.4-12.1000111.8I562D560-I562 PolarHBondContact O-N 2.92Å; D560-I562 VanDerWaalsContact O-N 3.14Å
561F38Very low31Very low182 Ų182149.3 Ų149.380%0.79878%0.782SS**  trans-63.8105.2173-175.4-93.7000111.3D559 E563D559-F561 PolarHBondContact O-N 2.91Å; F561-E563 HydrophobicContact CE1-CB 4.39Å; F561-E563 PolarHBondContact O-N 3.17Å
562I32Very low30.9Very low145 Ų145148 Ų14874%0.74478%0.782SS**  trans-74.8110.1170.7-61.5174.9000108.4D560 V564D560-I562 PolarHBondContact O-N 2.92Å; D560-I562 VanDerWaalsContact O-N 3.14Å; I562-V564 HydrophobicContact CG2-CG2 4.37Å; I562-V564 PolarHBondContact O-N 2.97Å
563E30.3Very low30.6Very low169 Ų169147.4 Ų147.479%0.7978%0.778SS**  trans-72.195.4175.5-166.7166.2-142.400109.4F561F561-E563 HydrophobicContact CE1-CB 4.39Å; F561-E563 PolarHBondContact O-N 3.17Å
564V34.2Very low30.2Very low109 Ų109151 Ų15166%0.66179%0.791SS**  trans-77.8120.3174.9178.90000109I562 T566I562-V564 HydrophobicContact CG2-CG2 4.37Å; I562-V564 PolarHBondContact O-N 2.97Å; V564-T566 PolarHBondContact O-N 3.48Å
565E26.3Very low29.7Very low176 Ų176151.6 Ų151.682%0.82279%0.79SS**  trans-66.194.8172.5-67.9-175.2157.200110.3H567E565-H567 PolarHBondContact O-N 3.33Å
566T33Very low29.1Very low129 Ų129150.9 Ų150.979%0.79180%0.795SS**  trans-78.5111.8171.955.30000109.7V564V564-T566 PolarHBondContact O-N 3.48Å
567H27.5Very low28.6Very low181 Ų181150.6 Ų150.684%0.83880%0.799SS**PPolyproline II helixtrans-52.8148.7178.8-75.3-86.8000113.7E565E565-H567 PolarHBondContact O-N 3.33Å
568E26.7Very low27.9Very low198 Ų198151.7 Ų151.793%0.92580%0.804SS**PPolyproline II helixtrans-57.9147.1-174.9-68.6173.6119.300113.9
569Q21.7Very low27.7Very low180 Ų180150.1 Ų150.184%0.84180%0.804SS**PPolyproline II helixtrans-80158.9165.6-65.1-179.1-24.100111
570V24.2Very low27.1Very low126 Ų126150.2 Ų150.276%0.76481%0.805SS**  trans84.9100.3160.5-165.80000117.5
571E21.9Very low26.8Very low196 Ų196150.4 Ų150.492%0.91681%0.805SS**  trans-13590.7134.4-78.4-160.1157.800110.5
572I26.4Very low25.9Very low149 Ų149147.4 Ų147.476%0.76481%0.807SS**  trans-133.6100.8144.4-51.5179.4000107N574I572-N574 PolarHBondContact O-N 3.02Å
573S21.4Very low25.5Very low109 Ų109147.8 Ų147.876%0.76281%0.805SS**  trans-64.6122.4169.852.80000110.4
574N24.5Very low24.9Very low157 Ų157148.3 Ų148.384%0.8481%0.808SS**  trans-129.6129.7153.4-96.8-28.3000109.6I572I572-N574 PolarHBondContact O-N 3.02Å
575T22.7Very low24.4Very low130 Ų130152.4 Ų152.480%0.79881%0.813SS**  trans-81.2151-168.945.70000112.9
576S20Very low24Very low115 Ų115149 Ų14980%0.80481%0.808SS**  trans-35.9135.5173.2-42.90000116.9
577T27.8Very low23.4Very low132 Ų132148.8 Ų148.881%0.8181%0.807SS**  trans-156.8107.3136.915.30000112.3
578D25.2Very low23.3Very low149 Ų149148.3 Ų148.380%0.79781%0.81SS**  trans40.4148.3141.4-68.8-38.9000125.8
579S29.8Very low23.1Very low108 Ų108146.9 Ų146.976%0.75580%0.804SS**  trans85.292.3147.265.10000120.4
580N22.7Very low23.4Very low158 Ų158146.2 Ų146.285%0.84581%0.806SS**  trans4.8124.2134.8-60.4-30.4000118.1
581L27.5Very low23.6Very low160 Ų160148.3 Ų148.384%0.83881%0.813SS**  -151.8118.3118.2-14970.8000111.7
582S18.8Very low23.7Very low120 Ų120143.1 Ų143.184%0.83980%0.803SS**  trans-102.7113.9159.9-55.50000107.5
583Q23.7Very low23.6Very low153 Ų153144.5 Ų144.572%0.71581%0.807SS**  trans-162.4134.8156.2-119.31671.400113
584E17.2Very low24Very low179 Ų179147.6 Ų147.684%0.83681%0.814SS**  trans-82.2133.1172.2-53.5154.2124.500109.7
585Y22.6Very low23.9Very low195 Ų195149 Ų14977%0.76582%0.816SS**  trans-157.3119.1152.2-77.2-67.9000106
586S18.1Very low24Very low104 Ų104150.3 Ų150.373%0.72782%0.818SS**  83102.468.1-70.20000114.7
587V21.9Very low24.5Very low126 Ų126153.8 Ų153.876%0.76482%0.819SS**  trans52.3103.3146.7-165.90000118.6E589V587-E589 HydrophobicContact CG1-CG 4.3Å
588D25.3Very low24.4Very low171 Ų171154.6 Ų154.691%0.91482%0.817SS**  trans-89.3109.7152.6-78.4-50000110.2
589E22.3Very low24.4Very low167 Ų167154.5 Ų154.578%0.7882%0.816SS**  trans-82.2126.3156-72.6-169.1150.100108.7V587V587-E589 HydrophobicContact CG1-CG 4.3Å
590N26.6Very low24Very low166 Ų166154.6 Ų154.689%0.88882%0.816SS**  trans179.581.8149.6-93.6-43.8000112.3
591N30.3Very low24.1Very low171 Ų171153 Ų15391%0.91481%0.812SS**  -166.2112128.7-128.6-8.5000111.1
592A24Very low24.2Very low86 Ų86152.1 Ų152.171%0.71181%0.813SS**  trans-97.9165.817100000110.5
593Q24.3Very low24.7Very low179 Ų179150.8 Ų150.884%0.83680%0.804SS**  trans81.582.3176.6-51.7-175-10.200116.3
594N27.9Very low25Very low173 Ų173152.3 Ų152.393%0.92581%0.811SS**  -16285.2125-92.3-34.3000109
595E22.4Very low25.7Very low188 Ų188152.2 Ų152.288%0.87981%0.81SS**  trans-86.3122.2164.4-68.3-166150.300109.3
596D26.6Very low26Very low156 Ų156151.1 Ų151.183%0.83481%0.813SS**  179.2147.8129-104.1-29.5000112.4
597K29.4Very low26.5Very low189 Ų189153.9 Ų153.982%0.82282%0.818SS**  trans80.268.3172.5-61.1176.5179.9171.50119.7
598I25.3Very low27Very low149 Ų149153 Ų15376%0.76481%0.812SS**  37.9111.8105.5-56.8177.5000118.1
599N24.9Very low27.4Very low147 Ų147148.9 Ų148.979%0.78680%0.797SS**  trans69109.9143.4-65.9-4.7000123.1
600S21.9Very low27.9Very low109 Ų109147.2 Ų147.276%0.76279%0.794SS**  91139.8113.6-1570000120.3
601V24.2Very low28.2Very low125 Ų125146.9 Ų146.976%0.75879%0.787SS**  trans71.780.6169.9-1600000117.3
602V30.2Very low28.4Very low141 Ų141143.9 Ų143.986%0.85577%0.774SS**  -140.8131.8124.3-178.20000107.4
603S29.2Very low28.7Very low92 Ų92144.2 Ų144.264%0.64377%0.768SS**  trans-76143.9177.2-51.10000111.2E605S603-E605 PolarHBondContact O-N 3.46Å
604E29.5Very low28.9Very low186 Ų186144.1 Ų144.187%0.86976%0.761SS**SBendtrans-75.137.7-173.7-58.5-178.9147.200114.8
605E32.2Very low29.1Very low176 Ų176143.2 Ų143.282%0.82275%0.751SS**  trans-89-2.1-175.4-71-170.5143.600114.9S603S603-E605 PolarHBondContact O-N 3.46Å
606E29.7Very low29.7Very low173 Ų173138.1 Ų138.181%0.80873%0.733SS**SBendtrans-112.98.6-173.6-145.7173.2-172.900115.7
607L28Very low29.9Very low162 Ų162135.6 Ų135.685%0.84872%0.719SS**SBendtrans-104.13.3179.3-81.6170000115.9
608V33.7Very low30Very low106 Ų106133.6 Ų133.664%0.64271%0.713SS**SBendtrans-106.9-7.8-179-166.20000113.4N610V608-N610 PolarHBondContact O-N 2.84Å
609S33.4Very low30.4Very low85 Ų85133.5 Ų133.559%0.59471%0.709SS**THydrogen-bonded Turntrans-76-14.7-175.6-60.40000115.4
610N31.9Very low30.8Very low133 Ų133132.8 Ų132.871%0.71170%0.701SS**THydrogen-bonded Turntrans-96.8-17.4-172.8-74.5-16.6000114.8V608V608-N610 PolarHBondContact O-N 2.84Å
611E33.3Very low31.4Very low159 Ų159132.4 Ų132.474%0.74370%0.695SS**THydrogen-bonded Turntrans-88-25.3-173.8-155.6158.2-146.900112.9T613E611-T613 VanDerWaalsContact C-N 3.29Å; E611-T613 PolarHBondContact O-N 3.17Å
612V33.6Very low32.2Very low107 Ų107130 Ų13065%0.64869%0.687SS**THydrogen-bonded Turntrans-75.1-14-178-174.60000113.5
613T30.8Very low32.5Very low93 Ų93127.5 Ų127.557%0.57167%0.669SS**THydrogen-bonded Turntrans-79.5-21.4-178.5-55.90000113.1E611E611-T613 VanDerWaalsContact C-N 3.29Å; E611-T613 PolarHBondContact O-N 3.17Å
614Y28Very low33.2Very low178 Ų178126.8 Ų126.870%0.69866%0.664SS**THydrogen-bonded Turntrans-89.4-14-173.1-79.7-78000115.6
615E32Very low33.8Very low153 Ų153122.9 Ų122.972%0.71566%0.657SS**THydrogen-bonded Turntrans-88.5-23.9179.3-63-159.5146.700114.2N617 Q618E615-N617 VanDerWaalsContact C-N 3.31Å; E615-N617 PolarHBondContact O-N 3.12Å; E615-Q618 PolarHBondContact O-N 3.01Å
616T34.9Very low34.3Very low82 Ų82122.4 Ų122.450%0.50366%0.655SS.*Hα-helixtrans-63.9-36.2-178.1-55.50000112Q618 Q619T616-Q618 VanDerWaalsContact C-N 3.27Å; T616-Q618 PolarHBondContact O-N 2.9Å; T616-Q619 PolarHBondContact O-N 3.35Å
617N32.1Very low35.1Very low102 Ų102117.5 Ų117.555%0.54563%0.634SS.*Hα-helixtrans-71.8-15.2-177.2-66.4-21.1000114.3E615 T621E615-N617 VanDerWaalsContact C-N 3.31Å; E615-N617 PolarHBondContact O-N 3.12Å; N617-T621 PolarHBondContact O-OG1 3.41Å
618Q32.1Very low35.9Very low147 Ų147114.8 Ų114.869%0.68763%0.626SS**Hα-helixtrans-91.3-22179.6-61.1-169.335.800112.9E615 T616 T621E615-Q618 PolarHBondContact O-N 3.01Å; T616-Q618 VanDerWaalsContact C-N 3.27Å; T616-Q618 PolarHBondContact O-N 2.9Å; Q618-T621 PolarHBondContact O-OG1 2.89Å; Q618-T621 VanDerWaalsContact O-OG1 3.08Å
619Q32.6Very low36.5Very low147 Ų147115.8 Ų115.869%0.68763%0.628SS**Hα-helixtrans-84.9-28.7175.7-73-178.3-9.400113T616 T621 L623T616-Q619 PolarHBondContact O-N 3.35Å; Q619-T621 VanDerWaalsContact C-N 3.33Å; Q619-T621 PolarHBondContact O-N 3.42Å; Q619-L623 PolarHBondContact O-N 3.14Å; Q619-L623 VanDerWaalsContact O-N 3.14Å
620E33Very low37.2Very low132 Ų132116.9 Ų116.962%0.61763%0.627SS**Hα-helixtrans-66.3-34173.1-67.5-166.1153.500112.9S624E620-S624 PolarHBondContact O-N 3.13Å; E620-S624 PolarHBondContact O-OG 2.92Å
621T35.8Very low38Very low102 Ų102113.7 Ų113.763%0.62661%0.61SS**Hα-helixtrans-72.9-40.9177.639.50000112N617 Q618 Q619 S624N617-T621 PolarHBondContact O-OG1 3.41Å; Q618-T621 PolarHBondContact O-OG1 2.89Å; Q618-T621 VanDerWaalsContact O-OG1 3.08Å; Q619-T621 VanDerWaalsContact C-N 3.33Å; Q619-T621 PolarHBondContact O-N 3.42Å; T621-S624 WeakPolarHBondContact O-CB 3.32Å; T621-S624 PolarHBondContact O-N 3.3Å
622A40.2Very low39Very low73 Ų73112 Ų11260%0.60360%0.598SS**Hα-helixtrans-66.3-4017600000113.4S624A622-S624 PolarHBondContact O-N 3.32Å
623L37Very low40.1Very low90 Ų90112.6 Ų112.647%0.47160%0.602SS.*THydrogen-bonded Turntrans-76.7-2.1179.3-92.7159.6000114.7Q619 S625Q619-L623 PolarHBondContact O-N 3.14Å; Q619-L623 VanDerWaalsContact O-N 3.14Å; L623-S625 VanDerWaalsContact C-N 3.33Å; L623-S625 PolarHBondContact O-N 2.74Å
624S42.8Very low41.6Very low76 Ų76110.9 Ų110.953%0.53159%0.588SS.*THydrogen-bonded Turntrans-70.2-28.9179.2-73.60000113K101 E620 T621 A622K101-S624 PolarHBondContact NZ-O 2.73Å; E620-S624 PolarHBondContact O-N 3.13Å; E620-S624 PolarHBondContact O-OG 2.92Å; T621-S624 WeakPolarHBondContact O-CB 3.32Å; T621-S624 PolarHBondContact O-N 3.3Å; A622-S624 PolarHBondContact O-N 3.32Å
625S43.3Very low44Very low104 Ų104107.9 Ų107.973%0.72758%0.584SS**SBendtrans-81.2-23.8-167.5-156.30000116.5L623 L627L623-S625 VanDerWaalsContact C-N 3.33Å; L623-S625 PolarHBondContact O-N 2.74Å; S625-L627 VanDerWaalsContact C-N 3.3Å; S625-L627 PolarHBondContact O-N 2.82Å; S625-L627 VanDerWaalsContact O-N 3.14Å
626E42.4Very low46.2Very low166 Ų166101.2 Ų101.278%0.77655%0.553SS**SBendtrans-87.327.9-168.4-65.4-158.916200116.3
627L45.7Very low48.3Very low71 Ų71101.5 Ų101.537%0.37255%0.552SS.*SBendtrans-125.7112157-72.6179.4000106.7K101 S625 D629K101-L627 HydrophobicContact CD-CD1 3.9Å; K101-L627 HydrophobicContact CG-CD1 4.2Å; S625-L627 VanDerWaalsContact C-N 3.3Å; S625-L627 PolarHBondContact O-N 2.82Å; S625-L627 VanDerWaalsContact O-N 3.14Å; L627-D629 PolarHBondContact O-N 3.47Å
628P45.1Very low50.8Low105 Ų105100.4 Ų100.468%0.68255%0.549SS*.  trans-55.3111170.7-24.534.5000109.1D630P628-D630 PolarHBondContact O-N 2.78Å
629D47.2Very low53.1Low127 Ų12794.5 Ų94.568%0.67952%0.522SS*.THydrogen-bonded Turntrans-59.3135.7157.7-72.4-49.4000106.6L627L627-D629 PolarHBondContact O-N 3.47Å
630D46.7Very low55.5Low108 Ų10888.4 Ų88.458%0.57849%0.493SS*.THydrogen-bonded Turntrans88.419.8177.3-59.7-23.8000120.3P628 Y632P628-D630 PolarHBondContact O-N 2.78Å; D630-Y632 HydrophobicContact CB-CD2 4.17Å; D630-Y632 HydrophobicContact CB-CE2 3.5Å; D630-Y632 VanDerWaalsContact O-CD2 3.23Å; D630-Y632 WeakPolarHBondContact O-CD2 3.4Å; D630-Y632 PolarHBondContact O-N 3.34Å; D630-Y632 VanDerWaalsContact OD1-CE2 3.29Å; D630-Y632 WeakPolarHBondContact OD1-CE2 3.45Å; D630-Y632 VanDerWaalsContact OD1-CZ 3.22Å; D630-Y632 PolarHBondContact OD1-OH 3.5Å
631D49.2Very low57.9Low65 Ų6588.1 Ų88.135%0.34849%0.491SS..  trans-7690.1155.3-169.8-0.8000111.7R109 T633 I634R109-D631 PolarHBondContact NH1-O 2.85Å; D631-T633 PolarHBondContact O-N 2.83Å; D631-T633 WeakPolarHBondContact OD1-CB 3.35Å; D631-T633 PolarHBondContact OD1-N 2.83Å; D631-T633 PolarHBondContact OD1-OG1 3.19Å; D631-I634 HydrophobicContact CB-CD1 4.5Å; D631-I634 WeakPolarHBondContact OD2-CD1 3.23Å; D631-I634 WeakPolarHBondContact OD2-CG1 3.29Å
632Y54.8Low60.2Low125 Ų12588.6 Ų88.649%0.4948%0.484SS..THydrogen-bonded Turntrans-73-12.3176.5-69.8-80000113.8R109 R112 D630R109-Y632 PolarHBondContact NH2-O 2.81Å; R112-Y632 PolarHBondContact NH1-OH 3.49Å; D630-Y632 HydrophobicContact CB-CD2 4.17Å; D630-Y632 HydrophobicContact CB-CE2 3.5Å; D630-Y632 VanDerWaalsContact O-CD2 3.23Å; D630-Y632 WeakPolarHBondContact O-CD2 3.4Å; D630-Y632 PolarHBondContact O-N 3.34Å; D630-Y632 VanDerWaalsContact OD1-CE2 3.29Å; D630-Y632 WeakPolarHBondContact OD1-CE2 3.45Å; D630-Y632 VanDerWaalsContact OD1-CZ 3.22Å; D630-Y632 PolarHBondContact OD1-OH 3.5Å
633T55.5Low62.3Low119 Ų11985.2 Ų85.273%0.7346%0.457SS*.THydrogen-bonded Turntrans-79.9-22.3-170.471.60000114.8D631 D635D631-T633 PolarHBondContact O-N 2.83Å; D631-T633 WeakPolarHBondContact OD1-CB 3.35Å; D631-T633 PolarHBondContact OD1-N 2.83Å; D631-T633 PolarHBondContact OD1-OG1 3.19Å; T633-D635 PolarHBondContact O-N 2.94Å
634I64Low64.6Low57 Ų5783.3 Ų83.329%0.29245%0.447SS..SBendtrans-72.8126.4-177.3-53.6176000111.2R109 D631 V638 L639R109-I634 PolarHBondContact NH2-O 3.42Å; D631-I634 HydrophobicContact CB-CD1 4.5Å; D631-I634 WeakPolarHBondContact OD2-CD1 3.23Å; D631-I634 WeakPolarHBondContact OD2-CG1 3.29Å; I634-V638 HydrophobicContact CG2-CB 3.79Å; I634-V638 HydrophobicContact CG2-CG1 3.77Å; I634-L639 HydrophobicContact CB-CG 4.41Å; I634-L639 HydrophobicContact CG2-CD2 4.12Å; I634-L639 HydrophobicContact CG2-CG 3.85Å
635D77.5Confident66.6Low115 Ų11586.4 Ų86.462%0.61545%0.447SS*.  trans-60.1145.3174.8-73.8-46.3000112.6T633 D637 V638 L639T633-D635 PolarHBondContact O-N 2.94Å; D635-D637 PolarHBondContact O-N 3.5Å; D635-D637 VanDerWaalsContact O-N 3.16Å; D635-V638 HydrophobicContact CB-CG2 4.29Å; D635-V638 PolarHBondContact O-N 2.87Å; D635-V638 VanDerWaalsContact O-N 3.07Å; D635-L639 PolarHBondContact O-N 3.45Å; D635-L639 VanDerWaalsContact O-N 3.12Å
636D79.1Confident68.7Low12 Ų1282.8 Ų82.86%0.06442%0.419CS..Hα-helixtrans-61.2-28.4179.8-77.117.4000112L106 R109 L110 R113 L639 R640L106-D636 HydrophobicContact CD1-CB 4.25Å; R109-D636 WeakPolarHBondContact CD-OD1 3.07Å; R109-D636 IonicContact CZ-OD1 3.75Å; R109-D636 IonicContact NE-OD1 3.15Å; R109-D636 PolarHBondContact NE-OD1 3.47Å; R109-D636 IonicContact NH2-OD1 3.32Å; L110-D636 VanDerWaalsContact CD2-OD2 3.27Å; L110-D636 WeakPolarHBondContact CD2-OD2 3.3Å; R113-D636 IonicContact CZ-OD1 2.8Å; R113-D636 IonicContact CZ-OD2 3.91Å; R113-D636 IonicContact NH1-OD1 2.6Å; R113-D636 PolarHBondContact NH1-OD1 3.26Å; R113-D636 IonicContact NH1-OD2 2.79Å; R113-D636 PolarHBondContact NH1-OD2 3.42Å; R113-D636 IonicContact NH2-OD1 3.76Å; R113-D636 PolarHBondContact NH2-OD1 2.92Å; R113-D636 IonicContact NH2-OD2 2.68Å; D636-L639 PolarHBondContact O-N 3.12Å; D636-R640 WeakPolarHBondContact O-CB 3.48Å; D636-R640 PolarHBondContact O-N 2.87Å
637D79.3Confident70.8Confident89 Ų8976.5 Ų76.548%0.47639%0.392SS..Hα-helixtrans-72.5-32.8178.6-64.6-28.1000111.9D635 R640 E641D635-D637 PolarHBondContact O-N 3.5Å; D635-D637 VanDerWaalsContact O-N 3.16Å; D637-R640 PolarHBondContact O-N 3.46Å; D637-R640 IonicContact OD1-CZ 2.66Å; D637-R640 IonicContact OD1-NE 3.43Å; D637-R640 PolarHBondContact OD1-NE 2.89Å; D637-R640 VanDerWaalsContact OD1-NE 3.16Å; D637-R640 IonicContact OD1-NH2 3.12Å; D637-R640 PolarHBondContact OD1-NH2 2.92Å; D637-E641 WeakPolarHBondContact O-CB 3.38Å; D637-E641 PolarHBondContact O-N 2.64Å
638V83.4Confident72.7Confident78 Ų7877.6 Ų77.647%0.47339%0.392SS..Hα-helixtrans-69.5-41.4171.1177.60000110.8I634 D635 R640 E641 K642I634-V638 HydrophobicContact CG2-CB 3.79Å; I634-V638 HydrophobicContact CG2-CG1 3.77Å; D635-V638 HydrophobicContact CB-CG2 4.29Å; D635-V638 PolarHBondContact O-N 2.87Å; D635-V638 VanDerWaalsContact O-N 3.07Å; V638-R640 VanDerWaalsContact C-N 3.34Å; V638-E641 PolarHBondContact O-N 2.88Å; V638-K642 VanDerWaalsContact O-CB 3.28Å; V638-K642 WeakPolarHBondContact O-CB 3.33Å; V638-K642 PolarHBondContact O-N 2.54Å
639L81Confident74.6Confident23 Ų2376.8 Ų76.812%0.1238%0.379CS..Hα-helixtrans-64.6-38.2174-70.9173.7000112.1L106 R109 I634 D635 D636 A643L106-L639 HydrophobicContact CD1-CB 4.16Å; R109-L639 VanDerWaalsContact CD-CD1 3.43Å; I634-L639 HydrophobicContact CB-CG 4.41Å; I634-L639 HydrophobicContact CG2-CD2 4.12Å; I634-L639 HydrophobicContact CG2-CG 3.85Å; D635-L639 PolarHBondContact O-N 3.45Å; D635-L639 VanDerWaalsContact O-N 3.12Å; D636-L639 PolarHBondContact O-N 3.12Å; L639-A643 WeakPolarHBondContact O-CB 3.44Å; L639-A643 PolarHBondContact O-N 3.07Å
640R82.4Confident76.5Confident20 Ų2071.6 Ų71.68%0.07535%0.353CS..Hα-helixtrans-65.4-49.5175.2-169.6-164.1-44-101.31111.1L106 R143 L144 Q146 D636 D637 V638 K642 A643 D644L106-R640 HydrophobicContact CD2-CB 4Å; L106-R640 HydrophobicContact CD2-CG 4.28Å; R143-R640 PolarHBondContact O-NH1 3.05Å; R143-R640 PolarHBondContact O-NH2 3.48Å; L144-R640 PolarHBondContact O-NH1 3.45Å; Q146-R640 VanDerWaalsContact CB-NH2 3.31Å; D636-R640 WeakPolarHBondContact O-CB 3.48Å; D636-R640 PolarHBondContact O-N 2.87Å; D637-R640 PolarHBondContact O-N 3.46Å; D637-R640 IonicContact OD1-CZ 2.66Å; D637-R640 IonicContact OD1-NE 3.43Å; D637-R640 PolarHBondContact OD1-NE 2.89Å; D637-R640 VanDerWaalsContact OD1-NE 3.16Å; D637-R640 IonicContact OD1-NH2 3.12Å; D637-R640 PolarHBondContact OD1-NH2 2.92Å; V638-R640 VanDerWaalsContact C-N 3.34Å; R640-K642 VanDerWaalsContact C-N 3.32Å; R640-K642 PolarHBondContact O-N 3.25Å; R640-A643 PolarHBondContact O-N 2.96Å; R640-D644 WeakPolarHBondContact O-CB 3.31Å; R640-D644 PolarHBondContact O-N 2.82Å
641E83.8Confident78.4Confident125 Ų12568 Ų6858%0.58433%0.333SS*.Hα-helixtrans-60.9-42.1177.2-167.1-167.9155.900111.3D637 V638 A643 D644 R645D637-E641 WeakPolarHBondContact O-CB 3.38Å; D637-E641 PolarHBondContact O-N 2.64Å; V638-E641 PolarHBondContact O-N 2.88Å; E641-A643 PolarHBondContact O-N 3.4Å; E641-D644 PolarHBondContact O-N 3.05Å; E641-R645 WeakPolarHBondContact O-CB 3.38Å; E641-R645 PolarHBondContact O-N 2.74Å
642K84.2Confident80.2Confident112 Ų11267.1 Ų67.149%0.48733%0.332SS..Hα-helixtrans-60.5-44.6174.4-173.8172.4-177.41740111.9V638 R640 L646V638-K642 VanDerWaalsContact O-CB 3.28Å; V638-K642 WeakPolarHBondContact O-CB 3.33Å; V638-K642 PolarHBondContact O-N 2.54Å; R640-K642 VanDerWaalsContact C-N 3.32Å; R640-K642 PolarHBondContact O-N 3.25Å; K642-L646 HydrophobicContact CG-CD1 4.33Å; K642-L646 VanDerWaalsContact O-CG 3.29Å; K642-L646 WeakPolarHBondContact O-CG 3.2Å; K642-L646 PolarHBondContact O-N 3.18Å; K642-L646 VanDerWaalsContact O-N 3.08Å
643A84.7Confident81.7Confident3 Ų362.1 Ų62.13%0.02532%0.315CS..Hα-helixtrans-64.3-43.9175.900000112.2A102 Q103 L639 R640 E641 L646 T647A102-A643 HydrophobicContact CB-CB 4.12Å; Q103-A643 HydrophobicContact CG-CB 4Å; L639-A643 WeakPolarHBondContact O-CB 3.44Å; L639-A643 PolarHBondContact O-N 3.07Å; R640-A643 PolarHBondContact O-N 2.96Å; E641-A643 PolarHBondContact O-N 3.4Å; A643-L646 PolarHBondContact O-N 3.41Å; A643-T647 WeakPolarHBondContact O-CB 3.49Å; A643-T647 PolarHBondContact O-N 2.99Å; A643-T647 PolarHBondContact O-OG1 3.05Å
644D84.2Confident83.3Confident50 Ų5059.7 Ų59.727%0.26730%0.3SS..Hα-helixtrans-67.7-39.8178.4-77.1-15000111.7Q147 R640 E641 T647 R648Q147-D644 PolarHBondContact NE2-OD2 3.4Å; R640-D644 WeakPolarHBondContact O-CB 3.31Å; R640-D644 PolarHBondContact O-N 2.82Å; E641-D644 PolarHBondContact O-N 3.05Å; D644-T647 PolarHBondContact O-N 2.84Å; D644-R648 WeakPolarHBondContact O-CB 3.42Å; D644-R648 VanDerWaalsContact O-CG 3.25Å; D644-R648 WeakPolarHBondContact O-CG 3.25Å; D644-R648 PolarHBondContact O-N 3.15Å
645R84.9Confident84.6Confident140 Ų14062.8 Ų62.853%0.52832%0.322SS..Hα-helixtrans-59.6-47.2173.8177.1174.7170.6170-4111.5E641 R648 Q649E641-R645 WeakPolarHBondContact O-CB 3.38Å; E641-R645 PolarHBondContact O-N 2.74Å; R645-R648 PolarHBondContact O-N 3.3Å; R645-Q649 WeakPolarHBondContact O-CG 3.24Å; R645-Q649 PolarHBondContact O-N 2.78Å; R645-Q649 VanDerWaalsContact O-N 3.17Å
646L87.9Confident85.2Confident28 Ų2863.8 Ų63.815%0.14732%0.316CS..Hα-helixtrans-66-41.4176.4-69.2166.8000111.4K98 A99 A102 K642 A643 R648 Q649 A650K98-L646 HydrophobicContact CB-CD1 4.18Å; K98-L646 HydrophobicContact CB-CD2 4.34Å; A99-L646 HydrophobicContact CB-CB 3.67Å; A102-L646 HydrophobicContact CB-CD1 4.35Å; K642-L646 HydrophobicContact CG-CD1 4.33Å; K642-L646 VanDerWaalsContact O-CG 3.29Å; K642-L646 WeakPolarHBondContact O-CG 3.2Å; K642-L646 PolarHBondContact O-N 3.18Å; K642-L646 VanDerWaalsContact O-N 3.08Å; A643-L646 PolarHBondContact O-N 3.41Å; L646-R648 VanDerWaalsContact C-N 3.32Å; L646-R648 PolarHBondContact O-N 3.02Å; L646-Q649 WeakPolarHBondContact O-CA 3.43Å; L646-Q649 WeakPolarHBondContact O-CB 3.36Å; L646-Q649 PolarHBondContact O-N 2.83Å; L646-A650 PolarHBondContact O-N 3.49Å
647T87Confident85.7Confident34 Ų3463.7 Ų63.721%0.20932%0.317CS..Hα-helixtrans-60.7-40.3175.8-54.20000111.8Q103 A643 D644 Q649 A650 Q651Q103-T647 PolarHBondContact NE2-OG1 3.03Å; A643-T647 WeakPolarHBondContact O-CB 3.49Å; A643-T647 PolarHBondContact O-N 2.99Å; A643-T647 PolarHBondContact O-OG1 3.05Å; D644-T647 PolarHBondContact O-N 2.84Å; T647-Q649 VanDerWaalsContact C-N 3.26Å; T647-Q649 PolarHBondContact O-N 2.92Å; T647-A650 PolarHBondContact O-N 3.43Å; T647-Q651 WeakPolarHBondContact O-CG 3.31Å; T647-Q651 PolarHBondContact O-N 3.22Å
648R84.9Confident86.4Confident95 Ų9561.9 Ų61.936%0.35831%0.307SS..Hα-helixtrans-68.2-19.9173.3-72.4171177.5166.30.8113.5K40 R42 D644 R645 L646K40-R648 WeakPolarHBondContact CE-O 3.17Å; K40-R648 HydrophobicContact CG-CB 4.25Å; K40-R648 WeakPolarHBondContact CG-O 3.42Å; R42-R648 PolarHBondContact O-NE 3.12Å; R42-R648 PolarHBondContact O-NH2 3.3Å; D644-R648 WeakPolarHBondContact O-CB 3.42Å; D644-R648 VanDerWaalsContact O-CG 3.25Å; D644-R648 WeakPolarHBondContact O-CG 3.25Å; D644-R648 PolarHBondContact O-N 3.15Å; R645-R648 PolarHBondContact O-N 3.3Å; L646-R648 VanDerWaalsContact C-N 3.32Å; L646-R648 PolarHBondContact O-N 3.02Å
649Q85.7Confident86.9Confident88 Ų8861 Ų6141%0.41130%0.304SS..Hα-helixtrans-86.2-33.7174.1-73.4175.7-21.400112.5R645 L646 T647R645-Q649 WeakPolarHBondContact O-CG 3.24Å; R645-Q649 PolarHBondContact O-N 2.78Å; R645-Q649 VanDerWaalsContact O-N 3.17Å; L646-Q649 WeakPolarHBondContact O-CA 3.43Å; L646-Q649 WeakPolarHBondContact O-CB 3.36Å; L646-Q649 PolarHBondContact O-N 2.83Å; T647-Q649 VanDerWaalsContact C-N 3.26Å; T647-Q649 PolarHBondContact O-N 2.92Å
650A87.2Confident87.4Confident17 Ų1760.6 Ų60.614%0.1430%0.302CS..Hα-helixtrans-70.5-28.517800000113.9S95 E96 L646 T647S95-A650 WeakPolarHBondContact OG-CA 3.39Å; S95-A650 PolarHBondContact OG-N 2.94Å; E96-A650 HydrophobicContact CB-CB 3.78Å; E96-A650 HydrophobicContact CG-CB 4.25Å; L646-A650 PolarHBondContact O-N 3.49Å; T647-A650 PolarHBondContact O-N 3.43Å
651Q85.7Confident87.9Confident33 Ų3359.7 Ų59.715%0.15430%0.298CS..  trans-61.8147.7-174.5-80171.49.400114.2V39 T647V39-Q651 HydrophobicContact CG1-CB 4.13Å; V39-Q651 PolarHBondContact O-OE1 3.24Å; T647-Q651 WeakPolarHBondContact O-CG 3.31Å; T647-Q651 PolarHBondContact O-N 3.22Å
652S86.5Confident88.5Confident47 Ų4756 Ų5633%0.32928%0.281SS..  trans-132.6149.8177.4-172.50000110.7R92 T654R92-S652 PolarHBondContact NH1-OG 2.95Å; S652-T654 PolarHBondContact O-N 3.28Å
653T87Confident88.9Confident20 Ų2054.2 Ų54.212%0.12328%0.276CS..  trans-54.8135.7155.3-56.80000109N32 L35 C657 I658N32-T653 PolarHBondContact OD1-OG1 3.39Å; L35-T653 HydrophobicContact CB-CG2 4.39Å; L35-T653 HydrophobicContact CD2-CG2 3.51Å; L35-T653 HydrophobicContact CG-CG2 3.87Å; T653-C657 HydrophobicContact CG2-CB 4.49Å; T653-I658 HydrophobicContact CG2-CD1 4.03Å; T653-I658 HydrophobicContact CG2-CG1 3.79Å
654T89.1Confident89.3Confident67 Ų6754.1 Ų54.141%0.41128%0.276SS..  trans-113.6159.617369.40000110.2S652 R656 C657 I658S652-T654 PolarHBondContact O-N 3.28Å; T654-R656 PolarHBondContact O-N 3.26Å; T654-C657 WeakPolarHBondContact O-CB 3.25Å; T654-C657 PolarHBondContact O-N 3.22Å; T654-C657 PolarHBondContact OG1-N 3.09Å; T654-C657 PolarHBondContact OG1-SG 2.92Å; T654-I658 PolarHBondContact O-N 3.21Å; T654-I658 VanDerWaalsContact O-N 3.13Å
655T90Very high89.8Confident123 Ų12351.8 Ų51.876%0.75526%0.263SS*.Hα-helixtrans-55.1-35.4173.950.70000112.4I658 S659T655-I658 WeakPolarHBondContact O-CB 3.35Å; T655-I658 PolarHBondContact O-N 3.43Å; T655-S659 PolarHBondContact O-N 3.15Å
656R91Very high90.2Very high135 Ų13551.5 Ų51.551%0.50927%0.267SS..Hα-helixtrans-63.3-43.3173179.3177.6167.6-168.4-9.5112.6T654 I658 S659 E660T654-R656 PolarHBondContact O-N 3.26Å; R656-I658 PolarHBondContact O-N 3.17Å; R656-S659 PolarHBondContact O-N 3.2Å; R656-E660 HydrophobicContact CG-CG 4.34Å; R656-E660 IonicContact CZ-OE1 3.16Å; R656-E660 VanDerWaalsContact CZ-OE1 3.28Å; R656-E660 IonicContact NE-OE1 2.68Å; R656-E660 PolarHBondContact NE-OE1 2.61Å; R656-E660 IonicContact NH2-OE1 3.64Å; R656-E660 PolarHBondContact NH2-OE1 2.78Å; R656-E660 PolarHBondContact O-N 2.84Å
657C90.2Very high90.4Very high11 Ų1151.2 Ų51.27%0.07427%0.266CS..Hα-helixtrans-62.3-34.9176.2-58.20000111.4L35 Y51 T653 T654 A661L35-C657 HydrophobicContact CD1-CB 4.17Å; L35-C657 HydrophobicContact CD2-CB 3.87Å; L35-C657 HydrophobicContact CG-CB 4.18Å; Y51-C657 HydrophobicContact CE2-CB 3.85Å; Y51-C657 VanDerWaalsContact CZ-SG 3.55Å; T653-C657 HydrophobicContact CG2-CB 4.49Å; T654-C657 WeakPolarHBondContact O-CB 3.25Å; T654-C657 PolarHBondContact O-N 3.22Å; T654-C657 PolarHBondContact OG1-N 3.09Å; T654-C657 PolarHBondContact OG1-SG 2.92Å; C657-A661 VanDerWaalsContact O-CB 3.24Å; C657-A661 WeakPolarHBondContact O-CB 3.3Å; C657-A661 PolarHBondContact O-N 2.7Å; C657-A661 VanDerWaalsContact O-N 3.09Å
658I92.8Very high90.7Very high51 Ų5149.6 Ų49.626%0.26226%0.256SS..Hα-helixtrans-67.1-47.8176.2-66.4168.1000110.3L35 F73 T653 T654 T655 R656 A661 Q662L35-I658 HydrophobicContact CD2-CG1 3.87Å; F73-I658 HydrophobicContact CD1-CG2 3.78Å; F73-I658 HydrophobicContact CE1-CG2 3.84Å; T653-I658 HydrophobicContact CG2-CD1 4.03Å; T653-I658 HydrophobicContact CG2-CG1 3.79Å; T654-I658 PolarHBondContact O-N 3.21Å; T654-I658 VanDerWaalsContact O-N 3.13Å; T655-I658 WeakPolarHBondContact O-CB 3.35Å; T655-I658 PolarHBondContact O-N 3.43Å; R656-I658 PolarHBondContact O-N 3.17Å; I658-A661 PolarHBondContact O-N 2.79Å; I658-Q662 HydrophobicContact CG2-CG 4.49Å; I658-Q662 WeakPolarHBondContact O-CG 3.46Å; I658-Q662 PolarHBondContact O-N 2.84Å
659S94.1Very high91.1Very high59 Ų5945.4 Ų45.441%0.41324%0.242SC..Hα-helixtrans-61.1-51176.4-169.10000112.3T655 R656 A661 Q662 D663T655-S659 PolarHBondContact O-N 3.15Å; R656-S659 PolarHBondContact O-N 3.2Å; S659-A661 PolarHBondContact O-N 2.88Å; S659-Q662 PolarHBondContact O-N 2.71Å; S659-Q662 VanDerWaalsContact O-N 3.11Å; S659-D663 VanDerWaalsContact O-CG 3.3Å; S659-D663 PolarHBondContact O-N 2.87Å
660E92.7Very high91.5Very high15 Ų1541.7 Ų41.77%0.0723%0.225CC..Hα-helixtrans-61.7-25.6178.4-68-173-179.400111.3R49 Y51 L52 R656 L664R49-E660 IonicContact CZ-OE1 2.74Å; R49-E660 IonicContact NE-OE1 3.34Å; R49-E660 PolarHBondContact NE-OE1 2.8Å; R49-E660 IonicContact NE-OE2 3.12Å; R49-E660 PolarHBondContact NE-OE2 2.89Å; R49-E660 IonicContact NH2-OE1 3.58Å; R49-E660 PolarHBondContact NH2-OE1 2.68Å; R49-E660 VanDerWaalsContact NH2-OE1 3.15Å; Y51-E660 PolarHBondContact OH-OE2 3.32Å; L52-E660 HydrophobicContact CD1-CB 4.26Å; L52-E660 WeakPolarHBondContact CD1-OE2 3.37Å; L52-E660 HydrophobicContact CD2-CB 4.08Å; R656-E660 HydrophobicContact CG-CG 4.34Å; R656-E660 IonicContact CZ-OE1 3.16Å; R656-E660 VanDerWaalsContact CZ-OE1 3.28Å; R656-E660 IonicContact NE-OE1 2.68Å; R656-E660 PolarHBondContact NE-OE1 2.61Å; R656-E660 IonicContact NH2-OE1 3.64Å; R656-E660 PolarHBondContact NH2-OE1 2.78Å; R656-E660 PolarHBondContact O-N 2.84Å; E660-L664 PolarHBondContact O-N 2.97Å
661A92.9Very high91.9Very high0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-79.2-40.2172.500000113.5M31 F55 C657 I658 S659 L664 L665M31-A661 HydrophobicContact CE-CB 4.14Å; F55-A661 HydrophobicContact CD1-CB 4.16Å; F55-A661 HydrophobicContact CE1-CB 3.71Å; F55-A661 HydrophobicContact CZ-CB 4.48Å; C657-A661 VanDerWaalsContact O-CB 3.24Å; C657-A661 WeakPolarHBondContact O-CB 3.3Å; C657-A661 PolarHBondContact O-N 2.7Å; C657-A661 VanDerWaalsContact O-N 3.09Å; I658-A661 PolarHBondContact O-N 2.79Å; S659-A661 PolarHBondContact O-N 2.88Å; A661-L664 PolarHBondContact O-N 3.49Å; A661-L665 WeakPolarHBondContact O-CG 2.84Å; A661-L665 PolarHBondContact O-N 3.5Å
662Q94.8Very high92.3Very high47 Ų4744 Ų4422%0.2223%0.234CC..Hα-helixtrans-63.4-42.7175.2-75174.9-9.200111.5F73 I658 S659 L664 L665 H666 F672F73-Q662 HydrophobicContact CD2-CG 4.37Å; F73-Q662 HydrophobicContact CE1-CG 3.94Å; F73-Q662 HydrophobicContact CE2-CG 3.6Å; F73-Q662 HydrophobicContact CZ-CG 3.34Å; I658-Q662 HydrophobicContact CG2-CG 4.49Å; I658-Q662 WeakPolarHBondContact O-CG 3.46Å; I658-Q662 PolarHBondContact O-N 2.84Å; S659-Q662 PolarHBondContact O-N 2.71Å; S659-Q662 VanDerWaalsContact O-N 3.11Å; Q662-L664 VanDerWaalsContact C-N 3.29Å; Q662-L664 PolarHBondContact O-N 3.22Å; Q662-L665 PolarHBondContact O-N 2.87Å; Q662-H666 PolarHBondContact O-N 2.85Å; Q662-F672 HydrophobicContact CB-CE1 4.43Å; Q662-F672 HydrophobicContact CB-CE2 4.48Å; Q662-F672 HydrophobicContact CB-CZ 4.11Å; Q662-F672 HydrophobicContact CG-CD2 4.32Å; Q662-F672 HydrophobicContact CG-CE2 3.91Å; Q662-F672 HydrophobicContact CG-CZ 4.05Å
663D94Very high92.7Very high75 Ų7542.2 Ų42.240%0.40122%0.221SC..Hα-helixtrans-55.6-45.9172.8-68.5-25000110.9S659 H666 L667S659-D663 VanDerWaalsContact O-CG 3.3Å; S659-D663 PolarHBondContact O-N 2.87Å; D663-H666 PolarHBondContact O-N 3.48Å; D663-L667 VanDerWaalsContact O-CG 3.3Å; D663-L667 WeakPolarHBondContact O-CG 3.3Å; D663-L667 PolarHBondContact O-N 2.85Å
664L92.7Very high93.1Very high2 Ų243.9 Ų43.91%0.0123%0.231CC..Hα-helixtrans-65.4-42.4178.7-166.866.4000111.9F55 F56 L59 E660 A661 Q662 H666 L667 F668 L887 L891F55-L664 HydrophobicContact CD1-CD2 3.63Å; F55-L664 HydrophobicContact CE1-CB 4.37Å; F55-L664 HydrophobicContact CE1-CD2 4.09Å; F55-L664 HydrophobicContact CG-CD2 4.43Å; F56-L664 HydrophobicContact CB-CD2 4.32Å; L59-L664 HydrophobicContact CD1-CD2 3.84Å; L59-L664 HydrophobicContact CD1-CG 3.98Å; E660-L664 PolarHBondContact O-N 2.97Å; A661-L664 PolarHBondContact O-N 3.49Å; Q662-L664 VanDerWaalsContact C-N 3.29Å; Q662-L664 PolarHBondContact O-N 3.22Å; L664-H666 PolarHBondContact O-N 2.78Å; L664-L667 PolarHBondContact O-N 2.75Å; L664-F668 HydrophobicContact CD1-CD2 4.24Å; L664-F668 HydrophobicContact CD1-CE2 4.05Å; L664-F668 HydrophobicContact CD2-CE2 4.49Å; L664-F668 HydrophobicContact CG-CD2 4.03Å; L664-F668 HydrophobicContact CG-CE2 4.06Å; L664-F668 WeakPolarHBondContact O-CD2 3.2Å; L664-F668 PolarHBondContact O-N 3.13Å; L664-L887 HydrophobicContact CD1-CD1 3.49Å; L664-L887 VanDerWaalsContact CD1-CD1 3.49Å; L664-L891 HydrophobicContact CD1-CD2 4.39Å
665L94.2Very high93.4Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-61.2-43.1176.6-72.9177.2000112.3F55 L59 F71 F73 A661 Q662 F668 G669 F670 F672F55-L665 HydrophobicContact CE1-CD2 4.33Å; F55-L665 HydrophobicContact CE1-CG 4.18Å; F55-L665 HydrophobicContact CE2-CD2 4.47Å; F55-L665 HydrophobicContact CZ-CD1 4.23Å; F55-L665 HydrophobicContact CZ-CD2 3.63Å; F55-L665 HydrophobicContact CZ-CG 3.79Å; L59-L665 HydrophobicContact CD1-CD2 4.11Å; L59-L665 HydrophobicContact CD2-CD2 3.76Å; F71-L665 HydrophobicContact CB-CD1 3.7Å; F71-L665 HydrophobicContact CD1-CD1 4.35Å; F71-L665 HydrophobicContact CD1-CD2 4.32Å; F71-L665 HydrophobicContact CD2-CD1 3.86Å; F71-L665 HydrophobicContact CD2-CD2 3.33Å; F71-L665 HydrophobicContact CD2-CG 4.22Å; F71-L665 HydrophobicContact CE1-CD2 4.31Å; F71-L665 HydrophobicContact CE2-CD2 3.3Å; F71-L665 HydrophobicContact CG-CD1 3.69Å; F71-L665 HydrophobicContact CG-CD2 3.87Å; F71-L665 HydrophobicContact CG-CG 4.45Å; F71-L665 HydrophobicContact CZ-CD2 3.83Å; F73-L665 HydrophobicContact CE2-CD1 3.82Å; F73-L665 HydrophobicContact CZ-CD1 3.82Å; A661-L665 WeakPolarHBondContact O-CG 2.84Å; A661-L665 PolarHBondContact O-N 3.5Å; Q662-L665 PolarHBondContact O-N 2.87Å; L665-F668 PolarHBondContact O-N 3.22Å; L665-F668 VanDerWaalsContact O-N 3.16Å; L665-G669 PolarHBondContact O-N 3.17Å; L665-G669 VanDerWaalsContact O-N 3.15Å; L665-F670 HydrophobicContact CD2-CB 4.11Å; L665-F670 HydrophobicContact CD2-CD2 4.06Å; L665-F670 PolarHBondContact O-N 3.41Å; L665-F672 HydrophobicContact CB-CD1 4.34Å; L665-F672 HydrophobicContact CD1-CB 4.15Å
666H94Very high93.6Very high134 Ų13436.7 Ų36.762%0.6219%0.188SC*.Hα-helixtrans-62.2-43.4175.9-17453.9000111.4Q662 D663 L664 F668 G669Q662-H666 PolarHBondContact O-N 2.85Å; D663-H666 PolarHBondContact O-N 3.48Å; L664-H666 PolarHBondContact O-N 2.78Å; H666-F668 VanDerWaalsContact C-N 3.26Å; H666-F668 PolarHBondContact O-N 2.87Å; H666-G669 PolarHBondContact O-N 2.88Å
667L92.8Very high93.7Very high22 Ų2232.8 Ų32.812%0.11518%0.175CC..Hα-helixtrans-63.5-28.7174.3-70.2170.7000113.7D663 L664 G669 P882 N883 L886 L887 H890D663-L667 VanDerWaalsContact O-CG 3.3Å; D663-L667 WeakPolarHBondContact O-CG 3.3Å; D663-L667 PolarHBondContact O-N 2.85Å; L664-L667 PolarHBondContact O-N 2.75Å; L667-G669 VanDerWaalsContact C-N 3.34Å; L667-P882 WeakPolarHBondContact O-CA 3.33Å; L667-N883 PolarHBondContact O-N 2.92Å; L667-L886 HydrophobicContact CD2-CB 3.54Å; L667-L886 HydrophobicContact CD2-CD1 4.28Å; L667-L887 HydrophobicContact CB-CB 4.5Å; L667-L887 HydrophobicContact CB-CD1 4.14Å; L667-L887 HydrophobicContact CD1-CD1 4.45Å; L667-H890 HydrophobicContact CD1-CB 3.69Å
668F92.2Very high93.9Very high0 Ų032.5 Ų32.50%017%0.173CC..Hα-helixtrans-81-9.8173.8-93.1-86.1000114.2F56 L59 L63 L664 L665 H666 F670 P882 L887 L906F56-F668 AromaticContact CD2-CE2 3.68Å; F56-F668 HydrophobicContact CD2-CE2 3.68Å; F56-F668 AromaticContact CD2-CZ 3.64Å; F56-F668 HydrophobicContact CD2-CZ 3.64Å; F56-F668 AromaticContact CE2-CE2 3.96Å; F56-F668 HydrophobicContact CE2-CE2 3.96Å; F56-F668 AromaticContact CE2-CZ 3.58Å; F56-F668 HydrophobicContact CE2-CZ 3.58Å; F56-F668 HydrophobicContact CZ-CZ 4.5Å; L59-F668 HydrophobicContact CB-CD1 4.41Å; L59-F668 HydrophobicContact CB-CD2 4.33Å; L59-F668 HydrophobicContact CB-CE1 4.11Å; L59-F668 HydrophobicContact CB-CE2 4.01Å; L59-F668 HydrophobicContact CB-CZ 3.89Å; L59-F668 HydrophobicContact CD1-CD2 3.51Å; L59-F668 HydrophobicContact CD1-CE2 3.66Å; L59-F668 HydrophobicContact CD1-CG 4.14Å; L59-F668 HydrophobicContact CD1-CZ 4.39Å; L59-F668 HydrophobicContact CG-CE2 4.5Å; L63-F668 HydrophobicContact CD2-CD1 4.35Å; L63-F668 HydrophobicContact CD2-CE1 4.2Å; L664-F668 HydrophobicContact CD1-CD2 4.24Å; L664-F668 HydrophobicContact CD1-CE2 4.05Å; L664-F668 HydrophobicContact CD2-CE2 4.49Å; L664-F668 HydrophobicContact CG-CD2 4.03Å; L664-F668 HydrophobicContact CG-CE2 4.06Å; L664-F668 WeakPolarHBondContact O-CD2 3.2Å; L664-F668 PolarHBondContact O-N 3.13Å; L665-F668 PolarHBondContact O-N 3.22Å; L665-F668 VanDerWaalsContact O-N 3.16Å; H666-F668 VanDerWaalsContact C-N 3.26Å; H666-F668 PolarHBondContact O-N 2.87Å; F668-F670 VanDerWaalsContact C-N 3.32Å; F668-F670 HydrophobicContact CB-CD2 3.52Å; F668-F670 HydrophobicContact CB-CE2 3.76Å; F668-F670 HydrophobicContact CB-CG 4.16Å; F668-F670 AromaticContact CD1-CE2 3.87Å; F668-F670 HydrophobicContact CD1-CE2 3.87Å; F668-F670 HydrophobicContact CD1-CZ 4.4Å; F668-F670 HydrophobicContact CG-CD2 4.18Å; F668-F670 AromaticContact CG-CE2 3.99Å; F668-F670 HydrophobicContact CG-CE2 3.99Å; F668-P882 HydrophobicContact CD1-CB 4.27Å; F668-P882 WeakPolarHBondContact O-CB 3.39Å; F668-L887 HydrophobicContact CD1-CD2 4.49Å; F668-L887 HydrophobicContact CD2-CD1 4.18Å; F668-L887 HydrophobicContact CD2-CD2 4.16Å; F668-L887 HydrophobicContact CE1-CD2 4.2Å; F668-L887 HydrophobicContact CE2-CD1 3.91Å; F668-L887 HydrophobicContact CE2-CD2 3.86Å; F668-L887 HydrophobicContact CG-CD2 4.48Å; F668-L887 HydrophobicContact CZ-CD2 3.89Å; F668-L906 HydrophobicContact CE1-CD2 4.44Å; F668-L906 HydrophobicContact CZ-CD2 4.45Å
669G92.5Very high94Very high7 Ų730.1 Ų30.17%0.07216%0.16CC..THydrogen-bonded Turntrans73.121.8-173.900000114L665 H666 L667 E880L665-G669 PolarHBondContact O-N 3.17Å; L665-G669 VanDerWaalsContact O-N 3.15Å; H666-G669 PolarHBondContact O-N 2.88Å; L667-G669 VanDerWaalsContact C-N 3.34Å; G669-E880 PolarHBondContact O-N 3.33Å
670F94.8Very high94Very high10 Ų1027.6 Ų27.64%0.04414%0.142CC..  trans-92.4129.9180-67.8-40.6000111.8L59 L63 P69 F71 L665 F668L59-F670 HydrophobicContact CB-CE2 4.14Å; L59-F670 HydrophobicContact CD2-CD2 3.94Å; L59-F670 HydrophobicContact CD2-CE2 3.88Å; L59-F670 HydrophobicContact CG-CE2 4.44Å; L63-F670 HydrophobicContact CB-CZ 4.32Å; L63-F670 HydrophobicContact CD1-CE1 4.38Å; L63-F670 HydrophobicContact CD1-CZ 4.15Å; P69-F670 HydrophobicContact CG-CD1 3.7Å; P69-F670 HydrophobicContact CG-CD2 4.33Å; P69-F670 HydrophobicContact CG-CE1 3.75Å; P69-F670 HydrophobicContact CG-CE2 4.39Å; P69-F670 HydrophobicContact CG-CG 4.01Å; P69-F670 HydrophobicContact CG-CZ 4.11Å; F71-F670 HydrophobicContact CD2-CB 4.17Å; F71-F670 HydrophobicContact CE2-CB 4.01Å; F71-F670 AromaticContact CE2-CD2 3.94Å; F71-F670 HydrophobicContact CE2-CD2 3.94Å; F71-F670 HydrophobicContact CE2-CG 4.11Å; L665-F670 HydrophobicContact CD2-CB 4.11Å; L665-F670 HydrophobicContact CD2-CD2 4.06Å; L665-F670 PolarHBondContact O-N 3.41Å; F668-F670 VanDerWaalsContact C-N 3.32Å; F668-F670 HydrophobicContact CB-CD2 3.52Å; F668-F670 HydrophobicContact CB-CE2 3.76Å; F668-F670 HydrophobicContact CB-CG 4.16Å; F668-F670 AromaticContact CD1-CE2 3.87Å; F668-F670 HydrophobicContact CD1-CE2 3.87Å; F668-F670 HydrophobicContact CD1-CZ 4.4Å; F668-F670 HydrophobicContact CG-CD2 4.18Å; F668-F670 AromaticContact CG-CE2 3.99Å; F668-F670 HydrophobicContact CG-CE2 3.99Å
671P95.1Very high94.1Very high23 Ų2327.1 Ų27.115%0.14914%0.141CC..  trans-69.5142.8176.329.7-34.1000110.7V70 F71 F877 W879V70-P671 HydrophobicContact CG2-CG 4.33Å; F71-P671 PolarHBondContact N-O 2.92Å; F71-P671 VanDerWaalsContact N-O 3.08Å; P671-F877 HydrophobicContact CB-CB 4.37Å; P671-F877 HydrophobicContact CB-CD1 4Å; P671-F877 HydrophobicContact CG-CB 4.08Å; P671-F877 HydrophobicContact CG-CD1 4.44Å; P671-F877 HydrophobicContact CG-CG 4.5Å; P671-W879 HydrophobicContact CG-CZ2 4.41Å
672F95Very high94.2Very high76 Ų7627.1 Ų27.133%0.33314%0.141SC..EExtended strand (participates in β ladder)trans-136.2151.1171.669.8-91.6000112.1F71 F73 Q662 L665 V674F71-F672 HydrophobicContact CB-CB 3.95Å; F71-F672 CarbonylContact O-C 3.58Å; F71-F672 WeakPolarHBondContact O-CA 3.31Å; F71-F672 WeakPolarHBondContact O-CB 3.31Å; F73-F672 HydrophobicContact CD2-CB 4.18Å; F73-F672 AromaticContact CD2-CD2 3.86Å; F73-F672 HydrophobicContact CD2-CD2 3.86Å; F73-F672 HydrophobicContact CD2-CG 4.34Å; F73-F672 HydrophobicContact CE2-CB 3.8Å; F73-F672 AromaticContact CE2-CD2 3.73Å; F73-F672 HydrophobicContact CE2-CD2 3.73Å; F73-F672 AromaticContact CE2-CG 3.88Å; F73-F672 HydrophobicContact CE2-CG 3.88Å; Q662-F672 HydrophobicContact CB-CE1 4.43Å; Q662-F672 HydrophobicContact CB-CE2 4.48Å; Q662-F672 HydrophobicContact CB-CZ 4.11Å; Q662-F672 HydrophobicContact CG-CD2 4.32Å; Q662-F672 HydrophobicContact CG-CE2 3.91Å; Q662-F672 HydrophobicContact CG-CZ 4.05Å; L665-F672 HydrophobicContact CB-CD1 4.34Å; L665-F672 HydrophobicContact CD1-CB 4.15Å; F672-V674 HydrophobicContact CD2-CG2 4.41Å; F672-V674 HydrophobicContact CE2-CG2 4.34Å
673V95.1Very high94.3Very high9 Ų924.9 Ų24.96%0.05513%0.131CC..EExtended strand (participates in β ladder)trans-122.5131.5178.1-179.30000108.1V70 F71 V72 F73 Q682 L874 F877V70-V673 HydrophobicContact CG1-CG2 4.38Å; F71-V673 PolarHBondContact O-N 3.36Å; V72-V673 CarbonylContact C-O 3.36Å; V72-V673 WeakPolarHBondContact CA-O 3.48Å; F73-V673 PolarHBondContact N-O 3.16Å; V673-Q682 HydrophobicContact CG1-CG 4.19Å; V673-L874 HydrophobicContact CG1-CD1 3.96Å; V673-L874 HydrophobicContact CG2-CD1 4.18Å; V673-F877 HydrophobicContact CG2-CE1 3.57Å; V673-F877 HydrophobicContact CG2-CZ 3.75Å
674V95Very high94.3Very high56 Ų5621.4 Ų21.434%0.33911%0.112SC..EExtended strand (participates in β ladder)trans-92.5118.5165.7-174.90000107.3F73 F672 K871F73-V674 HydrophobicContact CB-CG2 4.31Å; F672-V674 HydrophobicContact CD2-CG2 4.41Å; F672-V674 HydrophobicContact CE2-CG2 4.34Å; V674-K871 PolarHBondContact O-NZ 3.4Å
675S95.2Very high94.3Very high3 Ų321.6 Ų21.62%0.02111%0.114CC..  trans-63.4150.8174.5-168.90000110.5F73 G75 E677 E678 Q682F73-S675 WeakPolarHBondContact O-CB 3.3Å; F73-S675 PolarHBondContact O-N 3.37Å; G75-S675 VanDerWaalsContact CA-O 3.32Å; G75-S675 WeakPolarHBondContact CA-O 3.04Å; S675-E677 VanDerWaalsContact C-N 3.3Å; S675-E677 PolarHBondContact OG-N 3.12Å; S675-E678 WeakPolarHBondContact CB-O 3.45Å; S675-E678 PolarHBondContact OG-N 2.87Å; S675-E678 PolarHBondContact OG-O 3.38Å; S675-Q682 WeakPolarHBondContact OG-CB 3.46Å
676P94.5Very high94.3Very high36 Ų3621.7 Ų21.723%0.23411%0.114CC..SBendtrans-61.1-43.5165.5-19.132.5000111.2E76 K871E76-P676 PolarHBondContact N-O 3.4Å; P676-K871 HydrophobicContact CG-CG 3.94Å
677E93.6Very high94.4Very high52 Ų5215.9 Ų15.924%0.2439%0.087CC..SBendtrans-122.7-95.5179-69.2174-16600109.9G75 E76 S675 N869G75-E677 PolarHBondContact N-O 2.68Å; E76-E677 VanDerWaalsContact O-CA 3.32Å; E76-E677 WeakPolarHBondContact O-CA 3.37Å; S675-E677 VanDerWaalsContact C-N 3.3Å; S675-E677 PolarHBondContact OG-N 3.12Å; E677-N869 VanDerWaalsContact CD-CB 3.45Å; E677-N869 HydrophobicContact CG-CB 4.16Å; E677-N869 WeakPolarHBondContact OE1-CB 3.32Å; E677-N869 PolarHBondContact OE1-ND2 2.88Å
678E94.2Very high94.2Very high6 Ų616.2 Ų16.23%0.0289%0.087CC..  trans-101138.7-168.6-56.6-160.4-144.700113.6P78 K81 S675 E680 A681 Q682 Y759P78-E678 HydrophobicContact CG-CG 4.07Å; P78-E678 WeakPolarHBondContact CG-OE1 3.19Å; K81-E678 WeakPolarHBondContact CD-OE1 3.46Å; K81-E678 IonicContact NZ-OE1 2.71Å; K81-E678 IonicContact NZ-OE2 3.54Å; K81-E678 PolarHBondContact NZ-OE2 2.95Å; S675-E678 WeakPolarHBondContact CB-O 3.45Å; S675-E678 PolarHBondContact OG-N 2.87Å; S675-E678 PolarHBondContact OG-O 3.38Å; E678-E680 HydrophobicContact CB-CG 4.43Å; E678-A681 HydrophobicContact CB-CB 4.22Å; E678-Q682 WeakPolarHBondContact O-CB 3.25Å; E678-Q682 PolarHBondContact O-N 3.32Å; E678-Q682 VanDerWaalsContact O-N 3.15Å; E678-Y759 WeakPolarHBondContact OE1-CE1 3.33Å; E678-Y759 VanDerWaalsContact OE1-CZ 3.23Å; E678-Y759 PolarHBondContact OE1-OH 2.92Å
679A95.1Very high94.2Very high0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-66.5-39.8-179.700000112V72 D74 Q682 C683V72-A679 HydrophobicContact CB-CB 4.26Å; V72-A679 HydrophobicContact CG1-CB 3.84Å; D74-A679 WeakPolarHBondContact OD1-CB 3.42Å; D74-A679 PolarHBondContact OD1-N 3.2Å; A679-Q682 PolarHBondContact O-N 2.91Å; A679-C683 WeakPolarHBondContact O-CB 3.37Å; A679-C683 PolarHBondContact O-N 3.43Å; A679-C683 PolarHBondContact O-SG 3.08Å
680E94.4Very high94.1Very high6 Ų622.4 Ų22.43%0.02813%0.13CC..Hα-helixtrans-66.2-42.7179.354.2-175.315300112.6K81 E678 Q682 C683 V684 D701 V702 F705K81-E680 IonicContact NZ-OE1 3.85Å; E678-E680 HydrophobicContact CB-CG 4.43Å; E680-Q682 VanDerWaalsContact C-N 3.35Å; E680-Q682 PolarHBondContact O-N 2.86Å; E680-C683 WeakPolarHBondContact O-CB 3.43Å; E680-C683 PolarHBondContact O-N 3.46Å; E680-V684 WeakPolarHBondContact O-CG2 3.28Å; E680-V684 PolarHBondContact O-N 2.98Å; E680-D701 WeakPolarHBondContact OE2-CB 3.35Å; E680-V702 HydrophobicContact CB-CG1 3.89Å; E680-V702 PolarHBondContact OE2-N 2.86Å; E680-F705 HydrophobicContact CG-CD2 4.19Å; E680-F705 HydrophobicContact CG-CE2 3.88Å
681A94.5Very high94Very high5 Ų523.3 Ų23.34%0.04114%0.136CC..Hα-helixtrans-58.9-46.2172.400000111.5E678 V684 A685 F705 P868 V870E678-A681 HydrophobicContact CB-CB 4.22Å; A681-V684 PolarHBondContact O-N 2.81Å; A681-A685 WeakPolarHBondContact O-CB 3.41Å; A681-A685 PolarHBondContact O-N 2.84Å; A681-F705 HydrophobicContact CB-CD1 3.96Å; A681-F705 HydrophobicContact CB-CD2 4.21Å; A681-F705 HydrophobicContact CB-CE1 3.72Å; A681-F705 HydrophobicContact CB-CE2 4Å; A681-F705 HydrophobicContact CB-CG 4.23Å; A681-F705 HydrophobicContact CB-CZ 3.75Å; A681-P868 HydrophobicContact CB-CB 3.93Å; A681-P868 HydrophobicContact CB-CG 4.49Å; A681-V870 HydrophobicContact CB-CG1 3.98Å
682Q95.7Very high94Very high0 Ų022.5 Ų22.50%013%0.13CC..Hα-helixtrans-65.7-38.1176.9-18070.374.300112.3V72 V673 S675 E678 A679 E680 V684 A685 L686 V870 K871V72-Q682 HydrophobicContact CG1-CB 3.86Å; V72-Q682 HydrophobicContact CG1-CG 3.73Å; V673-Q682 HydrophobicContact CG1-CG 4.19Å; S675-Q682 WeakPolarHBondContact OG-CB 3.46Å; E678-Q682 WeakPolarHBondContact O-CB 3.25Å; E678-Q682 PolarHBondContact O-N 3.32Å; E678-Q682 VanDerWaalsContact O-N 3.15Å; A679-Q682 PolarHBondContact O-N 2.91Å; E680-Q682 VanDerWaalsContact C-N 3.35Å; E680-Q682 PolarHBondContact O-N 2.86Å; Q682-V684 VanDerWaalsContact C-N 3.35Å; Q682-V684 PolarHBondContact O-N 3.41Å; Q682-A685 WeakPolarHBondContact O-CB 3.41Å; Q682-A685 PolarHBondContact O-N 3.4Å; Q682-L686 VanDerWaalsContact O-CG 3.3Å; Q682-L686 WeakPolarHBondContact O-CG 3.41Å; Q682-L686 PolarHBondContact O-N 3.43Å; Q682-V870 HydrophobicContact CB-CG1 4.34Å; Q682-K871 PolarHBondContact NE2-O 3.37Å
683C95.8Very high93.9Very high1 Ų122.9 Ų22.91%0.00714%0.136CC..Hα-helixtrans-59.7-45174.5-72.70000111.5A28 V72 A679 E680 L686 Q687 V695A28-C683 HydrophobicContact CB-CB 3.97Å; V72-C683 WeakPolarHBondContact CG2-SG 3.39Å; A679-C683 WeakPolarHBondContact O-CB 3.37Å; A679-C683 PolarHBondContact O-N 3.43Å; A679-C683 PolarHBondContact O-SG 3.08Å; E680-C683 WeakPolarHBondContact O-CB 3.43Å; E680-C683 PolarHBondContact O-N 3.46Å; C683-L686 PolarHBondContact O-N 2.86Å; C683-Q687 PolarHBondContact O-N 3.31Å; C683-V695 HydrophobicContact CB-CG1 3.75Å; C683-V695 HydrophobicContact CB-CG2 4.1Å; C683-V695 WeakPolarHBondContact O-CG2 3.29Å
684V94.7Very high93.9Very high2 Ų222.5 Ų22.51%0.01213%0.133CC..Hα-helixtrans-69.7-37.8178.3-179.30000111.1E680 A681 Q682 L686 Q687 R688 V695 V702 F705 V707E680-V684 WeakPolarHBondContact O-CG2 3.28Å; E680-V684 PolarHBondContact O-N 2.98Å; A681-V684 PolarHBondContact O-N 2.81Å; Q682-V684 VanDerWaalsContact C-N 3.35Å; Q682-V684 PolarHBondContact O-N 3.41Å; V684-L686 PolarHBondContact O-N 2.89Å; V684-Q687 PolarHBondContact O-N 2.94Å; V684-R688 HydrophobicContact CG1-CG 4.49Å; V684-R688 WeakPolarHBondContact O-CG 3.29Å; V684-R688 PolarHBondContact O-N 3.39Å; V684-V695 HydrophobicContact CG2-CG2 4.38Å; V684-V702 HydrophobicContact CG2-CB 4.25Å; V684-V702 HydrophobicContact CG2-CG1 4.43Å; V684-F705 HydrophobicContact CB-CB 4.29Å; V684-F705 HydrophobicContact CG1-CB 4.46Å; V684-F705 WeakPolarHBondContact CG1-O 3.42Å; V684-F705 HydrophobicContact CG2-CB 4.19Å; V684-V707 HydrophobicContact CG1-CB 4.35Å; V684-V707 HydrophobicContact CG2-CB 3.8Å; V684-V707 HydrophobicContact CG2-CG2 4.08Å
685A92.9Very high93.9Very high6 Ų619.9 Ų19.95%0.0512%0.117CC..Hα-helixtrans-57.2-45.7171.500000112A681 Q682 Q687 R688 H689 V870A681-A685 WeakPolarHBondContact O-CB 3.41Å; A681-A685 PolarHBondContact O-N 2.84Å; Q682-A685 WeakPolarHBondContact O-CB 3.41Å; Q682-A685 PolarHBondContact O-N 3.4Å; A685-Q687 VanDerWaalsContact C-N 3.31Å; A685-Q687 PolarHBondContact O-N 2.98Å; A685-R688 WeakPolarHBondContact O-CB 3.39Å; A685-R688 PolarHBondContact O-N 3.3Å; A685-R688 VanDerWaalsContact O-N 3.12Å; A685-H689 PolarHBondContact O-N 3.46Å; A685-H689 VanDerWaalsContact O-N 3.08Å; A685-H689 PolarHBondContact O-ND1 3.49Å; A685-V870 HydrophobicContact CB-CB 4.06Å; A685-V870 HydrophobicContact CB-CG1 4.28Å; A685-V870 HydrophobicContact CB-CG2 3.73Å
686L94.5Very high93.9Very high2 Ų219.9 Ų19.91%0.0112%0.117CC..Hα-helixtrans-60.1-38.2176.2-68.5175.5000112.8V70 V72 Q682 C683 V684 G690 L691 V692 L874 F877V70-L686 HydrophobicContact CG1-CD1 4.28Å; V72-L686 HydrophobicContact CG2-CD1 4Å; Q682-L686 VanDerWaalsContact O-CG 3.3Å; Q682-L686 WeakPolarHBondContact O-CG 3.41Å; Q682-L686 PolarHBondContact O-N 3.43Å; C683-L686 PolarHBondContact O-N 2.86Å; V684-L686 PolarHBondContact O-N 2.89Å; L686-G690 PolarHBondContact O-N 2.99Å; L686-L691 HydrophobicContact CD2-CB 4.37Å; L686-L691 HydrophobicContact CD2-CD1 3.7Å; L686-L691 PolarHBondContact O-N 2.92Å; L686-V692 HydrophobicContact CB-CB 4.2Å; L686-V692 HydrophobicContact CB-CG2 3.73Å; L686-V692 HydrophobicContact CD1-CG2 4.27Å; L686-V692 PolarHBondContact O-N 2.88Å; L686-L874 HydrophobicContact CD2-CD1 3.67Å; L686-F877 HydrophobicContact CD1-CE2 4.25Å; L686-F877 HydrophobicContact CD1-CZ 4.15Å; L686-F877 HydrophobicContact CD2-CE2 3.88Å; L686-F877 HydrophobicContact CD2-CZ 3.76Å
687Q94.3Very high93.8Very high11 Ų1118.3 Ų18.35%0.05111%0.107CC..Hα-helixtrans-70.2-32.4175.2179.9175.677.600112.8C683 V684 A685 G690 V692 D693 V695 L709C683-Q687 PolarHBondContact O-N 3.31Å; V684-Q687 PolarHBondContact O-N 2.94Å; A685-Q687 VanDerWaalsContact C-N 3.31Å; A685-Q687 PolarHBondContact O-N 2.98Å; Q687-G690 PolarHBondContact O-N 3.47Å; Q687-V692 WeakPolarHBondContact CA-O 3.28Å; Q687-D693 PolarHBondContact NE2-O 2.86Å; Q687-V695 HydrophobicContact CB-CG2 4.05Å; Q687-L709 PolarHBondContact NE2-O 2.81Å
688R90.3Very high93.6Very high30 Ų3017.6 Ų17.611%0.11311%0.105CC..Hα-helixtrans-67.6-45.4176.2-70.6166.4177.4-153.9-6.6112.1V684 A685 G690 F705 W793V684-R688 HydrophobicContact CG1-CG 4.49Å; V684-R688 WeakPolarHBondContact O-CG 3.29Å; V684-R688 PolarHBondContact O-N 3.39Å; A685-R688 WeakPolarHBondContact O-CB 3.39Å; A685-R688 PolarHBondContact O-N 3.3Å; A685-R688 VanDerWaalsContact O-N 3.12Å; R688-G690 PolarHBondContact O-N 3.08Å; R688-F705 PolarHBondContact NH2-O 3.49Å; R688-W793 VanDerWaalsContact NH1-NE1 3.19Å
689H90.5Very high93.5Very high75 Ų7518 Ų1835%0.34711%0.107SC..THydrogen-bonded Turntrans-72.3-0.6176.9-64.880.4000113.4A685 L691A685-H689 PolarHBondContact O-N 3.46Å; A685-H689 VanDerWaalsContact O-N 3.08Å; A685-H689 PolarHBondContact O-ND1 3.49Å; H689-L691 HydrophobicContact CB-CD1 4.46Å; H689-L691 HydrophobicContact CB-CG 4.33Å; H689-L691 PolarHBondContact O-N 3.38Å
690G90.5Very high93.4Very high61 Ų6118 Ų1863%0.62911%0.108SC*.THydrogen-bonded Turntrans71.913.5178.300000114.8L686 Q687 R688 V692L686-G690 PolarHBondContact O-N 2.99Å; Q687-G690 PolarHBondContact O-N 3.47Å; R688-G690 PolarHBondContact O-N 3.08Å; G690-V692 PolarHBondContact O-N 2.93Å
691L92.8Very high93.2Very high30 Ų3017.8 Ų17.816%0.15711%0.107CC..SBendtrans-75.4-16.4175.1-64.7174.2000112.4L686 H689 L874 F877L686-L691 HydrophobicContact CD2-CB 4.37Å; L686-L691 HydrophobicContact CD2-CD1 3.7Å; L686-L691 PolarHBondContact O-N 2.92Å; H689-L691 HydrophobicContact CB-CD1 4.46Å; H689-L691 HydrophobicContact CB-CG 4.33Å; H689-L691 PolarHBondContact O-N 3.38Å; L691-L874 HydrophobicContact CD1-CB 4.05Å; L691-F877 HydrophobicContact CB-CD2 4.43Å; L691-F877 HydrophobicContact CB-CE2 4.01Å; L691-F877 HydrophobicContact CD1-CE2 4.33Å
692V94.6Very high93.2Very high6 Ų617.5 Ų17.54%0.03611%0.105CC..  trans-143.8136-172170.40000109.9I26 A28 V70 L686 Q687 G690 L694 F877I26-V692 HydrophobicContact CG2-CB 4.36Å; I26-V692 HydrophobicContact CG2-CG2 3.98Å; A28-V692 HydrophobicContact CB-CB 4.46Å; A28-V692 HydrophobicContact CB-CG1 3.71Å; A28-V692 HydrophobicContact CB-CG2 4.13Å; A28-V692 VanDerWaalsContact N-CG1 3.26Å; V70-V692 HydrophobicContact CG2-CG2 4.37Å; L686-V692 HydrophobicContact CB-CB 4.2Å; L686-V692 HydrophobicContact CB-CG2 3.73Å; L686-V692 HydrophobicContact CD1-CG2 4.27Å; L686-V692 PolarHBondContact O-N 2.88Å; Q687-V692 WeakPolarHBondContact CA-O 3.28Å; G690-V692 PolarHBondContact O-N 2.93Å; V692-L694 WeakPolarHBondContact CG1-O 3.49Å; V692-F877 HydrophobicContact CG2-CE2 4.44Å
693D94.1Very high93.2Very high84 Ų8417.6 Ų17.645%0.44911%0.105SC..SBendtrans-77.6-39.7177.8-57.6-60.4000112.2K25 I26 Q687K25-D693 WeakPolarHBondContact CA-OD2 3.43Å; K25-D693 HydrophobicContact CB-CB 4.48Å; I26-D693 PolarHBondContact N-OD2 2.75Å; I26-D693 WeakPolarHBondContact O-CB 3.44Å; I26-D693 PolarHBondContact O-N 2.91Å; Q687-D693 PolarHBondContact NE2-O 2.86Å
694L94.5Very high93Very high1 Ų117.5 Ų17.51%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-139.7135.1-164.5178.668.5000111.7L22 I26 V27 A28 V692 L709 C711 I731L22-L694 HydrophobicContact CD1-CD2 4.15Å; L22-L694 HydrophobicContact CD2-CD2 3.57Å; I26-L694 PolarHBondContact O-N 2.96Å; V27-L694 CarbonylContact C-O 3.47Å; V27-L694 VanDerWaalsContact CA-O 3.31Å; V27-L694 WeakPolarHBondContact CA-O 3.46Å; V27-L694 HydrophobicContact CG1-CB 4.43Å; V27-L694 HydrophobicContact CG1-CD2 4.2Å; V27-L694 HydrophobicContact CG1-CG 4.29Å; V27-L694 HydrophobicContact CG2-CB 4.31Å; V27-L694 HydrophobicContact CG2-CD2 4.07Å; A28-L694 PolarHBondContact N-O 2.88Å; V692-L694 WeakPolarHBondContact CG1-O 3.49Å; L694-L709 HydrophobicContact CB-CD2 4.47Å; L694-L709 HydrophobicContact CD1-CB 4.26Å; L694-L709 HydrophobicContact CD1-CD2 3.71Å; L694-L709 HydrophobicContact CD1-CG 3.6Å; L694-C711 HydrophobicContact CD1-CB 3.8Å; L694-C711 HydrophobicContact CD2-CB 3.69Å; L694-C711 HydrophobicContact CG-CB 3.93Å; L694-I731 HydrophobicContact CD1-CD1 4.47Å; L694-I731 HydrophobicContact CD1-CG1 4.48Å
695V95.8Very high93Very high0 Ų017.6 Ų17.60%011%0.105CC..EExtended strand (participates in β ladder)trans-93.3130.8168.6176.10000109.4C683 V684 Q687 V702 V707 L709 V710 C711C683-V695 HydrophobicContact CB-CG1 3.75Å; C683-V695 HydrophobicContact CB-CG2 4.1Å; C683-V695 WeakPolarHBondContact O-CG2 3.29Å; V684-V695 HydrophobicContact CG2-CG2 4.38Å; Q687-V695 HydrophobicContact CB-CG2 4.05Å; V695-V702 HydrophobicContact CG1-CG1 4.25Å; V695-V707 HydrophobicContact CB-CG2 3.93Å; V695-V707 HydrophobicContact CG2-CG2 3.94Å; V695-L709 PolarHBondContact N-O 3.07Å; V695-L709 VanDerWaalsContact N-O 3.09Å; V695-V710 CarbonylContact O-C 3.6Å; V695-V710 VanDerWaalsContact O-CA 3.25Å; V695-V710 WeakPolarHBondContact O-CA 3.44Å; V695-C711 PolarHBondContact O-N 3Å
696A93.8Very high92.9Very high3 Ų317.3 Ų17.33%0.02510%0.103CC..EExtended strand (participates in β ladder)trans-11394.4173.700000109.9V27 A28 I29 D30 C711 L714V27-A696 HydrophobicContact CG1-CB 3.63Å; A28-A696 PolarHBondContact O-N 3.13Å; I29-A696 HydrophobicContact CG1-CB 4.22Å; D30-A696 PolarHBondContact N-O 3.17Å; A696-C711 WeakPolarHBondContact CA-O 3.15Å; A696-L714 HydrophobicContact CB-CD2 3.87Å
697S92.5Very high92.9Very high3 Ų317.2 Ų17.22%0.02110%0.102CC..  trans-136.2143.1170.7-178.70000109.2I33 D699I33-S697 WeakPolarHBondContact CD1-OG 3.48Å; S697-D699 PolarHBondContact OG-N 2.87Å; S697-D699 VanDerWaalsContact OG-N 3.09Å
698D90.7Very high92.8Very high37 Ų3719.3 Ų19.320%0.19811%0.111CC..SBendtrans-88.6-9.6170.5-71.8-36.5000111.9W7 I33 Q37 R712 H713W7-D698 PolarHBondContact NE1-O 3.43Å; I33-D698 HydrophobicContact CG2-CB 4.36Å; Q37-D698 PolarHBondContact NE2-OD2 3.11Å; D698-R712 VanDerWaalsContact OD1-CG 3.31Å; D698-R712 WeakPolarHBondContact OD1-CG 3.4Å; D698-H713 WeakPolarHBondContact OD1-CA 3.34Å; D698-H713 IonicContact OD1-CD2 2.68Å; D698-H713 PolarHBondContact OD1-N 3.36Å
699D91.7Very high93Very high14 Ų1419.9 Ų19.98%0.07512%0.116CC..  trans-77159.2175.3-136.9-39.9000111.9M1 G2 W7 I33 S697 V702M1-D699 VanDerWaalsContact CB-CG 3.42Å; M1-D699 VanDerWaalsContact CB-OD1 3.23Å; M1-D699 WeakPolarHBondContact CB-OD1 3.25Å; M1-D699 WeakPolarHBondContact CB-OD2 3.5Å; G2-D699 PolarHBondContact N-OD1 2.98Å; W7-D699 VanDerWaalsContact CZ2-O 3.3Å; W7-D699 WeakPolarHBondContact CZ2-O 3.17Å; I33-D699 HydrophobicContact CD1-CB 3.76Å; S697-D699 PolarHBondContact OG-N 2.87Å; S697-D699 VanDerWaalsContact OG-N 3.09Å; D699-V702 WeakPolarHBondContact O-CG2 3.32Å
700S92.1Very high93.2Very high1 Ų116.3 Ų16.31%0.00710%0.1CC..SBendtrans-102-11.3-174.658.50000114.1M1 V3 V702 W703M1-S700 PolarHBondContact O-OG 3.31Å; M1-S700 VanDerWaalsContact O-OG 3.05Å; V3-S700 PolarHBondContact N-OG 2.91Å; V3-S700 PolarHBondContact O-OG 3.38Å; S700-V702 PolarHBondContact O-N 3.11Å; S700-W703 WeakPolarHBondContact O-CB 3.12Å; S700-W703 PolarHBondContact O-N 3.23Å; S700-W703 VanDerWaalsContact O-N 3.14Å
701D92.2Very high93.3Very high1 Ų113.5 Ų13.51%0.0057%0.07CC..THydrogen-bonded Turntrans-73.2-13.8179.8-8114000112.9G2 V3 E680 W703 P704 F705 D758 Y865G2-D701 VanDerWaalsContact CA-CG 3.45Å; G2-D701 WeakPolarHBondContact CA-OD1 3.16Å; V3-D701 WeakPolarHBondContact CG2-OD1 3.27Å; V3-D701 PolarHBondContact N-OD1 3.08Å; E680-D701 WeakPolarHBondContact OE2-CB 3.35Å; D701-W703 PolarHBondContact O-N 2.93Å; D701-W703 VanDerWaalsContact O-N 3.09Å; D701-P704 WeakPolarHBondContact O-CD 3.4Å; D701-P704 VanDerWaalsContact O-CG 3.23Å; D701-P704 WeakPolarHBondContact O-CG 3.29Å; D701-F705 HydrophobicContact CB-CE2 4.47Å; D701-F705 WeakPolarHBondContact O-CD2 3.43Å; D701-F705 PolarHBondContact O-N 3.43Å; D701-D758 PolarHBondContact OD2-N 3.48Å; D701-Y865 HydrophobicContact CB-CE1 4.4Å; D701-Y865 PolarHBondContact OD2-OH 3.29Å
702V94.2Very high93.2Very high0 Ų014.2 Ų14.20%07%0.071CC..THydrogen-bonded Turntrans-50.9-28.2162-65.50000114.4E680 V684 V695 D699 S700 G706 V707 V710E680-V702 HydrophobicContact CB-CG1 3.89Å; E680-V702 PolarHBondContact OE2-N 2.86Å; V684-V702 HydrophobicContact CG2-CB 4.25Å; V684-V702 HydrophobicContact CG2-CG1 4.43Å; V695-V702 HydrophobicContact CG1-CG1 4.25Å; D699-V702 WeakPolarHBondContact O-CG2 3.32Å; S700-V702 PolarHBondContact O-N 3.11Å; V702-G706 PolarHBondContact O-N 3.09Å; V702-V707 HydrophobicContact CB-CB 4.26Å; V702-V707 HydrophobicContact CB-CG1 4.17Å; V702-V707 HydrophobicContact CG2-CG1 4.14Å; V702-V707 WeakPolarHBondContact O-CB 3.11Å; V702-V707 WeakPolarHBondContact O-CG1 3.24Å; V702-V707 PolarHBondContact O-N 3.24Å; V702-V707 VanDerWaalsContact O-N 3.1Å; V702-V710 HydrophobicContact CG2-CG2 4.25Å
703W94.5Very high92.8Very high1 Ų114.9 Ų14.90%0.0047%0.074CC..THydrogen-bonded Turntrans-75.2-49.9-177.9-72104.3000114L6 W7 L10 S700 D701 F705 G706 V707 V710 Y732 L734 V737 I748L6-W703 HydrophobicContact CD2-CB 3.9Å; L6-W703 HydrophobicContact CD2-CG 4.13Å; W7-W703 HydrophobicContact CH2-CZ2 4.45Å; W7-W703 AromaticContact CH2-NE1 3.38Å; W7-W703 AromaticContact CZ2-NE1 3.94Å; W7-W703 HydrophobicContact CZ3-CZ2 4.21Å; W7-W703 AromaticContact CZ3-NE1 3.5Å; L10-W703 HydrophobicContact CD1-CD2 3.98Å; L10-W703 HydrophobicContact CD1-CG 4.27Å; L10-W703 HydrophobicContact CD1-CZ2 3.68Å; L10-W703 VanDerWaalsContact CD1-NE1 3.33Å; S700-W703 WeakPolarHBondContact O-CB 3.12Å; S700-W703 PolarHBondContact O-N 3.23Å; S700-W703 VanDerWaalsContact O-N 3.14Å; D701-W703 PolarHBondContact O-N 2.93Å; D701-W703 VanDerWaalsContact O-N 3.09Å; W703-F705 VanDerWaalsContact C-N 3.26Å; W703-F705 PolarHBondContact O-N 2.92Å; W703-G706 WeakPolarHBondContact O-CA 3.3Å; W703-G706 PolarHBondContact O-N 3.13Å; W703-V707 HydrophobicContact CD2-CG1 3.92Å; W703-V707 HydrophobicContact CE3-CG1 3.8Å; W703-V707 HydrophobicContact CG-CG1 4.42Å; W703-V707 HydrophobicContact CZ3-CG1 4.11Å; W703-V710 HydrophobicContact CH2-CG1 4.01Å; W703-V710 HydrophobicContact CZ2-CG1 3.41Å; W703-V710 VanDerWaalsContact CZ2-CG1 3.41Å; W703-Y732 HydrophobicContact CZ2-CG 4.33Å; W703-L734 HydrophobicContact CE3-CD1 4.21Å; W703-L734 HydrophobicContact CZ3-CB 4.31Å; W703-L734 HydrophobicContact CZ3-CD1 3.86Å; W703-V737 HydrophobicContact CH2-CG2 3.62Å; W703-V737 HydrophobicContact CZ2-CG2 4.42Å; W703-V737 HydrophobicContact CZ3-CG2 3.87Å; W703-I748 HydrophobicContact CB-CG2 3.8Å; W703-I748 HydrophobicContact CE3-CD1 4.14Å
704P92.8Very high92.3Very high0 Ų011.1 Ų11.10%05%0.053CC..THydrogen-bonded Turntrans-63.7-28.5169.922.3-32.5000113.1D701 G706 I748 L749 T752 Y865D701-P704 WeakPolarHBondContact O-CD 3.4Å; D701-P704 VanDerWaalsContact O-CG 3.23Å; D701-P704 WeakPolarHBondContact O-CG 3.29Å; P704-G706 PolarHBondContact O-N 3.13Å; P704-G706 VanDerWaalsContact O-N 3.17Å; P704-I748 HydrophobicContact CB-CG2 4.45Å; P704-L749 HydrophobicContact CB-CD1 4.03Å; P704-T752 HydrophobicContact CB-CG2 4.18Å; P704-T752 HydrophobicContact CG-CG2 4.04Å; P704-Y865 HydrophobicContact CB-CD1 3.7Å; P704-Y865 HydrophobicContact CB-CD2 4.24Å; P704-Y865 HydrophobicContact CB-CE1 3.93Å; P704-Y865 HydrophobicContact CB-CE2 4.41Å; P704-Y865 HydrophobicContact CB-CG 3.88Å; P704-Y865 HydrophobicContact CG-CD1 3.84Å; P704-Y865 HydrophobicContact CG-CE1 3.57Å; P704-Y865 HydrophobicContact CG-CG 4.45Å
705F93.3Very high91.2Very high3 Ų312.8 Ų12.81%0.0136%0.061CC..THydrogen-bonded Turntrans-68.40.1165.1-69-57.6000114E680 A681 V684 R688 D701 W703 Y759 Y865 P868E680-F705 HydrophobicContact CG-CD2 4.19Å; E680-F705 HydrophobicContact CG-CE2 3.88Å; A681-F705 HydrophobicContact CB-CD1 3.96Å; A681-F705 HydrophobicContact CB-CD2 4.21Å; A681-F705 HydrophobicContact CB-CE1 3.72Å; A681-F705 HydrophobicContact CB-CE2 4Å; A681-F705 HydrophobicContact CB-CG 4.23Å; A681-F705 HydrophobicContact CB-CZ 3.75Å; V684-F705 HydrophobicContact CB-CB 4.29Å; V684-F705 HydrophobicContact CG1-CB 4.46Å; V684-F705 WeakPolarHBondContact CG1-O 3.42Å; V684-F705 HydrophobicContact CG2-CB 4.19Å; R688-F705 PolarHBondContact NH2-O 3.49Å; D701-F705 HydrophobicContact CB-CE2 4.47Å; D701-F705 WeakPolarHBondContact O-CD2 3.43Å; D701-F705 PolarHBondContact O-N 3.43Å; W703-F705 VanDerWaalsContact C-N 3.26Å; W703-F705 PolarHBondContact O-N 2.92Å; F705-Y759 HydrophobicContact CZ-CE2 4.29Å; F705-Y865 AromaticContact CD1-CD1 3.75Å; F705-Y865 HydrophobicContact CD1-CD1 3.75Å; F705-Y865 HydrophobicContact CD2-CD1 4.19Å; F705-Y865 HydrophobicContact CD2-CE1 4.31Å; F705-Y865 AromaticContact CE1-CD1 3.52Å; F705-Y865 HydrophobicContact CE1-CD1 3.52Å; F705-Y865 HydrophobicContact CE1-CE1 4.16Å; F705-Y865 HydrophobicContact CE1-CG 4.39Å; F705-Y865 AromaticContact CE2-CD1 3.97Å; F705-Y865 HydrophobicContact CE2-CD1 3.97Å; F705-Y865 AromaticContact CE2-CE1 3.85Å; F705-Y865 HydrophobicContact CE2-CE1 3.85Å; F705-Y865 HydrophobicContact CG-CD1 4.06Å; F705-Y865 AromaticContact CZ-CD1 3.63Å; F705-Y865 HydrophobicContact CZ-CD1 3.63Å; F705-Y865 AromaticContact CZ-CE1 3.77Å; F705-Y865 HydrophobicContact CZ-CE1 3.77Å; F705-P868 HydrophobicContact CD1-CB 4.3Å; F705-P868 HydrophobicContact CD1-CG 4.33Å; F705-P868 HydrophobicContact CE1-CB 3.94Å; F705-P868 HydrophobicContact CE1-CG 4.46Å
706G91Very high89.6Confident1 Ų113.5 Ų13.51%0.017%0.068CC..THydrogen-bonded Turntrans73.34117100000115.3V702 W703 P704 I745V702-G706 PolarHBondContact O-N 3.09Å; W703-G706 WeakPolarHBondContact O-CA 3.3Å; W703-G706 PolarHBondContact O-N 3.13Å; P704-G706 PolarHBondContact O-N 3.13Å; P704-G706 VanDerWaalsContact O-N 3.17Å; G706-I745 VanDerWaalsContact CA-CD1 3.44Å
707V94.1Very high87.7Confident0 Ų017 Ų170%09%0.089CC..  trans-58.9138.8172.171.90000111.8V684 V695 V702 W703 V710V684-V707 HydrophobicContact CG1-CB 4.35Å; V684-V707 HydrophobicContact CG2-CB 3.8Å; V684-V707 HydrophobicContact CG2-CG2 4.08Å; V695-V707 HydrophobicContact CB-CG2 3.93Å; V695-V707 HydrophobicContact CG2-CG2 3.94Å; V702-V707 HydrophobicContact CB-CB 4.26Å; V702-V707 HydrophobicContact CB-CG1 4.17Å; V702-V707 HydrophobicContact CG2-CG1 4.14Å; V702-V707 WeakPolarHBondContact O-CB 3.11Å; V702-V707 WeakPolarHBondContact O-CG1 3.24Å; V702-V707 PolarHBondContact O-N 3.24Å; V702-V707 VanDerWaalsContact O-N 3.1Å; W703-V707 HydrophobicContact CD2-CG1 3.92Å; W703-V707 HydrophobicContact CE3-CG1 3.8Å; W703-V707 HydrophobicContact CG-CG1 4.42Å; W703-V707 HydrophobicContact CZ3-CG1 4.11Å; V707-V710 HydrophobicContact CG1-CB 4.19Å; V707-V710 HydrophobicContact CG1-CG1 4.27Å; V707-V710 HydrophobicContact CG2-CB 4.01Å
708K92.1Very high85.1Confident54 Ų5420.3 Ų20.324%0.23512%0.124CC..SBendtrans-88.7-44175.3-65.7174-175.3154.10111.8L734 L794K708-L734 PolarHBondContact O-N 2.97Å; K708-L794 WeakPolarHBondContact CE-O 3.36Å; K708-L794 PolarHBondContact NZ-O 3.3Å
709L94.6Very high82.4Confident43 Ų4322.1 Ų22.123%0.22515%0.151CC..EExtended strand (participates in β ladder)trans-140.2114.5-175.2-165.775000109.2Q687 L694 V695 I731 K733Q687-L709 PolarHBondContact NE2-O 2.81Å; L694-L709 HydrophobicContact CB-CD2 4.47Å; L694-L709 HydrophobicContact CD1-CB 4.26Å; L694-L709 HydrophobicContact CD1-CD2 3.71Å; L694-L709 HydrophobicContact CD1-CG 3.6Å; V695-L709 PolarHBondContact N-O 3.07Å; V695-L709 VanDerWaalsContact N-O 3.09Å; L709-I731 HydrophobicContact CD1-CG2 3.55Å; L709-I731 HydrophobicContact CG-CG2 4.22Å; L709-K733 HydrophobicContact CD1-CB 4.12Å; L709-K733 HydrophobicContact CD1-CD 3.95Å; L709-K733 HydrophobicContact CD1-CG 3.61Å
710V95.3Very high79.6Confident0 Ų024.1 Ų24.10%018%0.175CC..EExtended strand (participates in β ladder)trans-120.2139.617962.30000110.9W7 V695 V702 W703 V707 I731 Y732W7-V710 HydrophobicContact CH2-CG1 3.93Å; W7-V710 HydrophobicContact CH2-CG2 4.27Å; W7-V710 HydrophobicContact CZ3-CG1 4.49Å; V695-V710 CarbonylContact O-C 3.6Å; V695-V710 VanDerWaalsContact O-CA 3.25Å; V695-V710 WeakPolarHBondContact O-CA 3.44Å; V702-V710 HydrophobicContact CG2-CG2 4.25Å; W703-V710 HydrophobicContact CH2-CG1 4.01Å; W703-V710 HydrophobicContact CZ2-CG1 3.41Å; W703-V710 VanDerWaalsContact CZ2-CG1 3.41Å; V707-V710 HydrophobicContact CG1-CB 4.19Å; V707-V710 HydrophobicContact CG1-CG1 4.27Å; V707-V710 HydrophobicContact CG2-CB 4.01Å; V710-I731 CarbonylContact O-C 3.53Å; V710-I731 WeakPolarHBondContact O-CA 3.43Å; V710-Y732 HydrophobicContact CG1-CD2 4.44Å; V710-Y732 PolarHBondContact N-O 2.83Å; V710-Y732 VanDerWaalsContact N-O 3.11Å; V710-Y732 PolarHBondContact O-N 3.38Å
711C92.9Very high77Confident1 Ų131.8 Ų31.81%0.00722%0.216CC..EExtended strand (participates in β ladder)trans-113.1116.8172.4174.20000110.3L694 V695 A696 S730 I731L694-C711 HydrophobicContact CD1-CB 3.8Å; L694-C711 HydrophobicContact CD2-CB 3.69Å; L694-C711 HydrophobicContact CG-CB 3.93Å; V695-C711 PolarHBondContact O-N 3Å; A696-C711 WeakPolarHBondContact CA-O 3.15Å; C711-S730 CarbonylContact C-O 3.6Å; C711-S730 WeakPolarHBondContact CA-O 3.47Å; C711-I731 HydrophobicContact CB-CG1 4.23Å
712R90.7Very high74.2Confident46 Ų4638.7 Ų38.717%0.17425%0.253CS..EExtended strand (participates in β ladder)trans-94.7150.7175.8-165.1178.6166.2-146.4-9.1110.5W7 E11 D698 L714 P729 S730 Y732W7-R712 HydrophobicContact CH2-CB 4.38Å; W7-R712 HydrophobicContact CZ2-CG 4.36Å; E11-R712 IonicContact OE2-NH1 2.87Å; D698-R712 VanDerWaalsContact OD1-CG 3.31Å; D698-R712 WeakPolarHBondContact OD1-CG 3.4Å; R712-L714 PolarHBondContact O-N 3.11Å; R712-P729 WeakPolarHBondContact O-CA 3.33Å; R712-S730 PolarHBondContact N-O 3.35Å; R712-S730 PolarHBondContact O-N 2.92Å; R712-Y732 HydrophobicContact CB-CD2 4.48Å; R712-Y732 HydrophobicContact CB-CE2 3.89Å
713H86.7Confident71.4Confident20 Ų2046.1 Ų46.19%0.09329%0.292CS..  trans56.144.9178.7-46.9132.4000113.9D698 F715 G716 T727D698-H713 WeakPolarHBondContact OD1-CA 3.34Å; D698-H713 IonicContact OD1-CD2 2.68Å; D698-H713 PolarHBondContact OD1-N 3.36Å; H713-F715 PolarHBondContact O-N 3.09Å; H713-G716 PolarHBondContact O-N 3.38Å; H713-T727 WeakPolarHBondContact ND1-CG2 3.46Å
714L83.3Confident68.7Low5 Ų556.1 Ų56.13%0.02634%0.335CS..THydrogen-bonded Turntrans-52.5-27.3-174-174.157.2000113.8L19 L22 V27 I29 W34 L62 A696 R712L19-L714 HydrophobicContact CD2-CD1 3.66Å; L19-L714 WeakPolarHBondContact CD2-O 3.48Å; L22-L714 HydrophobicContact CD1-CD1 3.52Å; V27-L714 HydrophobicContact CG1-CD2 4.44Å; I29-L714 HydrophobicContact CD1-CD2 4.18Å; I29-L714 HydrophobicContact CG1-CD2 4.49Å; W34-L714 HydrophobicContact CH2-CD2 4.37Å; W34-L714 HydrophobicContact CZ2-CB 4.26Å; W34-L714 HydrophobicContact CZ2-CD2 3.95Å; W34-L714 HydrophobicContact CZ2-CG 4.35Å; L62-L714 HydrophobicContact CD2-CD2 4.24Å; A696-L714 HydrophobicContact CB-CD2 3.87Å; R712-L714 PolarHBondContact O-N 3.11Å
715F70.3Confident66.2Low36 Ų3659.8 Ų59.816%0.15836%0.361CS..THydrogen-bonded Turntrans-120.716172.2-73.9-43.4000116.6L19 W34 R58 K61 L62 H713L19-F715 HydrophobicContact CD1-CD1 4.13Å; L19-F715 HydrophobicContact CD1-CE1 4.01Å; W34-F715 AromaticContact CH2-CD2 3.43Å; W34-F715 HydrophobicContact CH2-CD2 3.43Å; W34-F715 VanDerWaalsContact CH2-CD2 3.43Å; W34-F715 AromaticContact CH2-CE2 3.24Å; W34-F715 HydrophobicContact CH2-CE2 3.24Å; W34-F715 HydrophobicContact CH2-CZ 4.36Å; W34-F715 AromaticContact CZ2-CD2 3.83Å; W34-F715 HydrophobicContact CZ2-CD2 3.83Å; W34-F715 HydrophobicContact CZ2-CE2 4.06Å; W34-F715 HydrophobicContact CZ3-CD2 4.03Å; W34-F715 AromaticContact CZ3-CE2 3.8Å; W34-F715 HydrophobicContact CZ3-CE2 3.8Å; R58-F715 HydrophobicContact CB-CD2 3.75Å; R58-F715 HydrophobicContact CB-CE2 3.57Å; R58-F715 HydrophobicContact CG-CD2 3.55Å; R58-F715 HydrophobicContact CG-CE2 3.94Å; R58-F715 HydrophobicContact CG-CG 4.37Å; R58-F715 WeakPolarHBondContact O-CE2 3.35Å; R58-F715 VanDerWaalsContact O-CZ 3.32Å; R58-F715 WeakPolarHBondContact O-CZ 3.27Å; K61-F715 HydrophobicContact CB-CE1 3.84Å; K61-F715 HydrophobicContact CB-CZ 3.8Å; K61-F715 HydrophobicContact CD-CD1 3.6Å; K61-F715 HydrophobicContact CD-CE1 3.43Å; K61-F715 VanDerWaalsContact CD-CE1 3.43Å; K61-F715 HydrophobicContact CD-CZ 4.21Å; K61-F715 HydrophobicContact CG-CD1 4.21Å; K61-F715 HydrophobicContact CG-CE1 3.5Å; K61-F715 HydrophobicContact CG-CZ 4.01Å; L62-F715 HydrophobicContact CD2-CE1 4.38Å; L62-F715 HydrophobicContact CD2-CE2 3.92Å; L62-F715 HydrophobicContact CD2-CZ 3.47Å; L62-F715 VanDerWaalsContact CD2-CZ 3.47Å; L62-F715 HydrophobicContact CG-CE2 3.89Å; L62-F715 HydrophobicContact CG-CZ 3.6Å; H713-F715 PolarHBondContact O-N 3.09Å
716G63.8Low64.2Low15 Ų1565.1 Ų65.116%0.15539%0.394CS..  trans69.4152-171.900000112.1H713 G718 T727H713-G716 PolarHBondContact O-N 3.38Å; G716-G718 PolarHBondContact O-N 2.86Å; G716-T727 WeakPolarHBondContact CA-O 3.38Å
717T52.2Low63Low76 Ų7666.1 Ų66.147%0.46640%0.4SS..  trans-78.366.3172.847.20000110.6G719T717-G719 PolarHBondContact O-N 3.36Å
718G38.9Very low62.1Low73 Ų7370.7 Ų70.775%0.75342%0.424SS*.  trans-7190.717200000110.5G716G716-G718 PolarHBondContact O-N 2.86Å
719G34.6Very low61.8Low74 Ų7468.5 Ų68.576%0.76342%0.416SS*.  trans-176.728.3-171.800000117T717T717-G719 PolarHBondContact O-N 3.36Å
720G32.2Very low61.7Low56 Ų5666.5 Ų66.558%0.57741%0.405SS*.SBendtrans-158.7149.8169.100000109.9N722G720-N722 PolarHBondContact O-N 3.49Å
721D36.4Very low61.5Low163 Ų16367.1 Ų67.187%0.87241%0.408SS*.SBendtrans-66.6-5.7-167-56-71.3000114.6L723D721-L723 PolarHBondContact O-N 2.7Å
722N34.7Very low61.6Low145 Ų14567 Ų6778%0.77541%0.408SS*.  trans-75.482.1167.6-71.7-41.9000112G720 K724G720-N722 PolarHBondContact O-N 3.49Å; N722-K724 PolarHBondContact O-N 2.93Å
723L35.5Very low61.8Low157 Ų15768.3 Ų68.382%0.82242%0.415SS*.THydrogen-bonded Turntrans-50.5-11170.6-17859.1000115D721D721-L723 PolarHBondContact O-N 2.7Å
724K37.9Very low62Low210 Ų21068 Ų6891%0.91341%0.413SS*.THydrogen-bonded Turntrans-870.3-172.2-69.5-173.6176.2178.80116.6N722N722-K724 PolarHBondContact O-N 2.93Å
725S39.7Very low62.3Low77 Ų7773.9 Ų73.954%0.53845%0.445SS..  trans-133.972.4171.8-170.10000112.3T727S725-T727 PolarHBondContact O-N 2.93Å; S725-T727 PolarHBondContact O-OG1 2.82Å; S725-T727 PolarHBondContact OG-OG1 3.34Å; S725-T727 VanDerWaalsContact OG-OG1 3.12Å
726T50.4Low63.3Low115 Ų11573.4 Ų73.471%0.70644%0.443SS*.  trans-6777156.440.20000109N728T726-N728 PolarHBondContact O-N 3.49Å
727T66.3Low64.6Low22 Ų2272.7 Ų72.714%0.13544%0.436CS..  trans-58.3106.3-178.1-50.50000109.7R14 H713 G716 S725R14-T727 VanDerWaalsContact NH2-CG2 3.34Å; H713-T727 WeakPolarHBondContact ND1-CG2 3.46Å; G716-T727 WeakPolarHBondContact CA-O 3.38Å; S725-T727 PolarHBondContact O-N 2.93Å; S725-T727 PolarHBondContact O-OG1 2.82Å; S725-T727 PolarHBondContact OG-OG1 3.34Å; S725-T727 VanDerWaalsContact OG-OG1 3.12Å
728N76.2Confident66.3Low97 Ų9772.2 Ų72.252%0.51943%0.427SS..  trans-56.6146.6177.5-78.9-24000110.7T726 S730T726-N728 PolarHBondContact O-N 3.49Å; N728-S730 PolarHBondContact O-OG 3.38Å
729P86.3Confident68.6Low8 Ų875.3 Ų75.35%0.05242%0.416CS..  trans-55.9145.5176.224-31000109.6I17 L19 R712I17-P729 HydrophobicContact CD1-CB 4.35Å; I17-P729 HydrophobicContact CD1-CG 4.48Å; I17-P729 HydrophobicContact CG1-CB 4.16Å; I17-P729 HydrophobicContact CG1-CG 4.19Å; I17-P729 VanDerWaalsContact CG1-O 3.24Å; I17-P729 WeakPolarHBondContact CG1-O 3.01Å; I17-P729 PolarHBondContact N-O 3.31Å; I17-P729 WeakPolarHBondContact O-CG 3.48Å; L19-P729 HydrophobicContact CD2-CB 4.48Å; L19-P729 HydrophobicContact CD2-CG 3.9Å; L19-P729 HydrophobicContact CG-CG 4.04Å; R712-P729 WeakPolarHBondContact O-CA 3.33Å
730S90.5Very high71Confident0 Ų075.9 Ų75.90%040%0.398CS..EExtended strand (participates in β ladder)trans-138.6122.1-167.1-610000110.7R14 E15 C711 R712 N728R14-S730 PolarHBondContact NE-OG 3.4Å; R14-S730 PolarHBondContact NH2-OG 3.23Å; E15-S730 CarbonylContact O-C 3.54Å; E15-S730 WeakPolarHBondContact O-CA 3.5Å; C711-S730 CarbonylContact C-O 3.6Å; C711-S730 WeakPolarHBondContact CA-O 3.47Å; R712-S730 PolarHBondContact N-O 3.35Å; R712-S730 PolarHBondContact O-N 2.92Å; N728-S730 PolarHBondContact O-OG 3.38Å
731I93Very high73.6Confident13 Ų1373.7 Ų73.77%0.06737%0.373CS..EExtended strand (participates in β ladder)trans-89.2143.3177.8-73.6-177.1000110.1E15 I17 L22 L694 L709 V710 C711 K733E15-I731 PolarHBondContact N-O 2.87Å; E15-I731 PolarHBondContact O-N 3.01Å; I17-I731 HydrophobicContact CD1-CD1 3.73Å; I17-I731 HydrophobicContact CD1-CG1 3.72Å; I17-I731 HydrophobicContact CG1-CD1 4.39Å; I17-I731 HydrophobicContact CG1-CG1 4.08Å; I17-I731 HydrophobicContact CG2-CB 4.38Å; I17-I731 HydrophobicContact CG2-CD1 4.13Å; I17-I731 HydrophobicContact CG2-CG1 4.22Å; L22-I731 HydrophobicContact CD2-CD1 4.23Å; L694-I731 HydrophobicContact CD1-CD1 4.47Å; L694-I731 HydrophobicContact CD1-CG1 4.48Å; L709-I731 HydrophobicContact CD1-CG2 3.55Å; L709-I731 HydrophobicContact CG-CG2 4.22Å; V710-I731 CarbonylContact O-C 3.53Å; V710-I731 WeakPolarHBondContact O-CA 3.43Å; C711-I731 HydrophobicContact CB-CG1 4.23Å; I731-K733 HydrophobicContact CG2-CG 4.18Å
732Y94.8Very high75.8Confident0 Ų065.9 Ų65.90%033%0.331CS..EExtended strand (participates in β ladder)trans-126.7129.6166.8-57.8-104.4000108W7 L10 E11 V13 R14 W703 V710 R712W7-Y732 HydrophobicContact CE3-CE1 4.32Å; W7-Y732 HydrophobicContact CE3-CE2 4.12Å; W7-Y732 AromaticContact CE3-CZ 3.98Å; W7-Y732 HydrophobicContact CH2-CD2 4.25Å; W7-Y732 HydrophobicContact CH2-CE2 4.36Å; W7-Y732 HydrophobicContact CZ3-CD1 4.25Å; W7-Y732 AromaticContact CZ3-CD2 3.63Å; W7-Y732 HydrophobicContact CZ3-CD2 3.63Å; W7-Y732 HydrophobicContact CZ3-CE1 4.2Å; W7-Y732 AromaticContact CZ3-CE2 3.59Å; W7-Y732 HydrophobicContact CZ3-CE2 3.59Å; W7-Y732 AromaticContact CZ3-CG 3.97Å; W7-Y732 HydrophobicContact CZ3-CG 3.97Å; W7-Y732 AromaticContact CZ3-CZ 3.87Å; L10-Y732 HydrophobicContact CB-CD1 4.23Å; L10-Y732 HydrophobicContact CB-CE1 4.15Å; L10-Y732 WeakPolarHBondContact O-CE1 3.48Å; E11-Y732 PolarHBondContact OE2-OH 3.07Å; V13-Y732 HydrophobicContact CB-CD1 4.34Å; V13-Y732 HydrophobicContact CG1-CD1 4.33Å; R14-Y732 HydrophobicContact CB-CD1 4.35Å; R14-Y732 HydrophobicContact CB-CE1 3.6Å; R14-Y732 HydrophobicContact CG-CE1 4.09Å; R14-Y732 HydrophobicContact CG-CE2 4.29Å; W703-Y732 HydrophobicContact CZ2-CG 4.33Å; V710-Y732 HydrophobicContact CG1-CD2 4.44Å; V710-Y732 PolarHBondContact N-O 2.83Å; V710-Y732 VanDerWaalsContact N-O 3.11Å; V710-Y732 PolarHBondContact O-N 3.38Å; R712-Y732 HydrophobicContact CB-CD2 4.48Å; R712-Y732 HydrophobicContact CB-CE2 3.89Å
733K93.7Very high78.3Confident73 Ų7359.1 Ų59.132%0.31730%0.295SS..EExtended strand (participates in β ladder)trans-104134.1176.4-39.5-155.6179.288.20109.8E15 L709 I731 D735 E736 V737E15-K733 IonicContact OE1-NZ 3.26Å; E15-K733 PolarHBondContact OE1-NZ 3.15Å; E15-K733 IonicContact OE2-NZ 3.05Å; E15-K733 PolarHBondContact OE2-NZ 3.33Å; L709-K733 HydrophobicContact CD1-CB 4.12Å; L709-K733 HydrophobicContact CD1-CD 3.95Å; L709-K733 HydrophobicContact CD1-CG 3.61Å; I731-K733 HydrophobicContact CG2-CG 4.18Å; K733-D735 VanDerWaalsContact C-N 3.29Å; K733-D735 PolarHBondContact O-N 3.37Å; K733-E736 HydrophobicContact CB-CB 4.04Å; K733-E736 WeakPolarHBondContact O-CB 3.04Å; K733-E736 PolarHBondContact O-N 3.41Å; K733-V737 PolarHBondContact O-N 3.4Å
734L91.7Very high80.7Confident13 Ų1352 Ų527%0.06826%0.258CS..Hα-helixtrans-60.2-39.4177.9-179.268.2000112.4W703 K708 E736 V737 K738 I745 I748 L794W703-L734 HydrophobicContact CE3-CD1 4.21Å; W703-L734 HydrophobicContact CZ3-CB 4.31Å; W703-L734 HydrophobicContact CZ3-CD1 3.86Å; K708-L734 PolarHBondContact O-N 2.97Å; L734-E736 PolarHBondContact O-N 2.98Å; L734-V737 WeakPolarHBondContact O-CB 3.34Å; L734-V737 PolarHBondContact O-N 2.98Å; L734-V737 VanDerWaalsContact O-N 3.11Å; L734-K738 PolarHBondContact O-N 3.06Å; L734-I745 HydrophobicContact CD1-CD1 4.4Å; L734-I745 HydrophobicContact CD1-CG1 4.07Å; L734-I745 HydrophobicContact CD2-CD1 3.56Å; L734-I745 HydrophobicContact CD2-CG1 4.11Å; L734-I748 HydrophobicContact CD1-CD1 4.29Å; L734-L794 HydrophobicContact CD2-CD2 3.43Å; L734-L794 VanDerWaalsContact CD2-CD2 3.43Å
735D90.2Very high83.1Confident129 Ų12942.3 Ų42.369%0.6922%0.216SC*.Hα-helixtrans-58.5-38.2175.6-60.4-45.3000111.7K733 R739K733-D735 VanDerWaalsContact C-N 3.29Å; K733-D735 PolarHBondContact O-N 3.37Å; D735-R739 WeakPolarHBondContact O-CB 3.4Å; D735-R739 PolarHBondContact O-N 3.39Å
736E90.3Very high85.4Confident26 Ų2639 Ų3912%0.12119%0.192CC..Hα-helixtrans-73.5-33.8178.2-174.267.6176.500111.7V13 K733 L734 R739 K740V13-E736 HydrophobicContact CB-CG 4.4Å; V13-E736 HydrophobicContact CG1-CB 3.84Å; V13-E736 HydrophobicContact CG1-CG 3.61Å; K733-E736 HydrophobicContact CB-CB 4.04Å; K733-E736 WeakPolarHBondContact O-CB 3.04Å; K733-E736 PolarHBondContact O-N 3.41Å; L734-E736 PolarHBondContact O-N 2.98Å; E736-R739 PolarHBondContact O-N 3.41Å; E736-R739 IonicContact OE1-CZ 3.17Å; E736-R739 IonicContact OE1-NH2 2.74Å; E736-R739 PolarHBondContact OE1-NH2 3.13Å; E736-R739 IonicContact OE2-CZ 3.74Å; E736-R739 IonicContact OE2-NE 2.86Å; E736-R739 PolarHBondContact OE2-NE 2.83Å; E736-R739 IonicContact OE2-NH2 2.69Å; E736-R739 PolarHBondContact OE2-NH2 3.17Å; E736-K740 HydrophobicContact CG-CD 4.08Å; E736-K740 WeakPolarHBondContact O-CB 3.48Å; E736-K740 PolarHBondContact O-N 3.44Å; E736-K740 WeakPolarHBondContact OE1-CD 3.05Å; E736-K740 WeakPolarHBondContact OE1-CE 3.28Å; E736-K740 IonicContact OE1-NZ 3.23Å; E736-K740 PolarHBondContact OE1-NZ 3.25Å
737V90.6Very high87.3Confident0 Ų033.5 Ų33.50%016%0.158CC..Hα-helixtrans-63.3-52.3169.9174.50000110.7L10 V13 W703 K733 L734 R739 L741 G742 L743L10-V737 HydrophobicContact CD2-CB 4.49Å; L10-V737 HydrophobicContact CD2-CG1 3.77Å; L10-V737 HydrophobicContact CD2-CG2 3.84Å; V13-V737 HydrophobicContact CB-CG2 4.22Å; V13-V737 HydrophobicContact CG1-CB 4.5Å; V13-V737 HydrophobicContact CG1-CG2 3.57Å; V13-V737 HydrophobicContact CG2-CG2 4.2Å; W703-V737 HydrophobicContact CH2-CG2 3.62Å; W703-V737 HydrophobicContact CZ2-CG2 4.42Å; W703-V737 HydrophobicContact CZ3-CG2 3.87Å; K733-V737 PolarHBondContact O-N 3.4Å; L734-V737 WeakPolarHBondContact O-CB 3.34Å; L734-V737 PolarHBondContact O-N 2.98Å; L734-V737 VanDerWaalsContact O-N 3.11Å; V737-R739 VanDerWaalsContact C-N 3.27Å; V737-R739 PolarHBondContact O-N 3.02Å; V737-L741 WeakPolarHBondContact O-CB 3.42Å; V737-L741 PolarHBondContact O-N 2.94Å; V737-G742 PolarHBondContact O-N 2.94Å; V737-L743 HydrophobicContact CG1-CB 3.9Å; V737-L743 HydrophobicContact CG1-CD1 4.45Å
738K88.4Confident88.5Confident66 Ų6632.6 Ų32.629%0.28715%0.152SC..Hα-helixtrans-58.3-40.8176.3-173.5172.7-175.91690110.8L734 G742 L743 T744 N787L734-K738 PolarHBondContact O-N 3.06Å; K738-G742 WeakPolarHBondContact O-CA 3.3Å; K738-G742 PolarHBondContact O-N 3.39Å; K738-G742 VanDerWaalsContact O-N 3.14Å; K738-L743 WeakPolarHBondContact CA-O 3.31Å; K738-T744 HydrophobicContact CD-CG2 3.94Å; K738-T744 HydrophobicContact CG-CG2 4.21Å; K738-N787 PolarHBondContact NZ-OD1 3.3Å
739R86.6Confident89.3Confident138 Ų13828 Ų2852%0.52113%0.128SC..Hα-helixtrans-69.1-60.1178.7-167.6-17873.594.7-1.1112.4D735 E736 V737 R976D735-R739 WeakPolarHBondContact O-CB 3.4Å; D735-R739 PolarHBondContact O-N 3.39Å; E736-R739 PolarHBondContact O-N 3.41Å; E736-R739 IonicContact OE1-CZ 3.17Å; E736-R739 IonicContact OE1-NH2 2.74Å; E736-R739 PolarHBondContact OE1-NH2 3.13Å; E736-R739 IonicContact OE2-CZ 3.74Å; E736-R739 IonicContact OE2-NE 2.86Å; E736-R739 PolarHBondContact OE2-NE 2.83Å; E736-R739 IonicContact OE2-NH2 2.69Å; E736-R739 PolarHBondContact OE2-NH2 3.17Å; V737-R739 VanDerWaalsContact C-N 3.27Å; V737-R739 PolarHBondContact O-N 3.02Å; R739-R976 PolarHBondContact O-NE 2.86Å; R739-R976 PolarHBondContact O-NH2 3.48Å
740K85.9Confident89.5Confident85 Ų8528 Ų2837%0.3713%0.127SC..Hα-helixtrans-72.7-42.7-173.3-81.5176.5166.5152.20113.1P12 V13 E736P12-K740 VanDerWaalsContact O-CD 3.31Å; P12-K740 WeakPolarHBondContact O-CD 3.49Å; P12-K740 VanDerWaalsContact O-CE 3.3Å; P12-K740 WeakPolarHBondContact O-CE 3.24Å; P12-K740 PolarHBondContact O-NZ 2.82Å; V13-K740 HydrophobicContact CG2-CB 3.96Å; V13-K740 HydrophobicContact CG2-CD 3.86Å; E736-K740 HydrophobicContact CG-CD 4.08Å; E736-K740 WeakPolarHBondContact O-CB 3.48Å; E736-K740 PolarHBondContact O-N 3.44Å; E736-K740 WeakPolarHBondContact OE1-CD 3.05Å; E736-K740 WeakPolarHBondContact OE1-CE 3.28Å; E736-K740 IonicContact OE1-NZ 3.23Å; E736-K740 PolarHBondContact OE1-NZ 3.25Å
741L85.7Confident89.6Confident10 Ų1028 Ų285%0.05213%0.127CC..Hα-helixtrans-104.2-14-171.1-60.7174.2000113.6L9 L10 V13 V737 L743 A972L9-L741 WeakPolarHBondContact O-CD1 3.39Å; L10-L741 HydrophobicContact CD2-CD1 3.75Å; V13-L741 HydrophobicContact CG2-CD1 3.87Å; V13-L741 HydrophobicContact CG2-CG 4.06Å; V737-L741 WeakPolarHBondContact O-CB 3.42Å; V737-L741 PolarHBondContact O-N 2.94Å; L741-L743 HydrophobicContact CB-CD1 3.92Å; L741-L743 HydrophobicContact CB-CG 3.98Å; L741-L743 HydrophobicContact CD1-CD1 4.1Å; L741-L743 PolarHBondContact O-N 3.48Å; L741-A972 WeakPolarHBondContact O-CB 3.48Å
742G83Confident89.7Confident0 Ų027.4 Ų27.40%012%0.124CC..  trans76.92.2-175.700000113.9V737 K738 T744 R979V737-G742 PolarHBondContact O-N 2.94Å; K738-G742 WeakPolarHBondContact O-CA 3.3Å; K738-G742 PolarHBondContact O-N 3.39Å; K738-G742 VanDerWaalsContact O-N 3.14Å; G742-T744 PolarHBondContact O-N 2.68Å; G742-R979 PolarHBondContact O-NH1 2.79Å
743L87.3Confident89.6Confident2 Ų227.4 Ų27.41%0.0112%0.124CC..  trans-79.9112.4-176.4-59.6169.1000110.3L9 V737 K738 L741 N747 I748 I772 L975L9-L743 HydrophobicContact CD2-CD1 3.78Å; L9-L743 HydrophobicContact CG-CD1 4.3Å; V737-L743 HydrophobicContact CG1-CB 3.9Å; V737-L743 HydrophobicContact CG1-CD1 4.45Å; K738-L743 WeakPolarHBondContact CA-O 3.31Å; L741-L743 HydrophobicContact CB-CD1 3.92Å; L741-L743 HydrophobicContact CB-CG 3.98Å; L741-L743 HydrophobicContact CD1-CD1 4.1Å; L741-L743 PolarHBondContact O-N 3.48Å; L743-N747 HydrophobicContact CD2-CB 4.47Å; L743-I748 HydrophobicContact CB-CG1 4.21Å; L743-I772 HydrophobicContact CD2-CG1 4.48Å; L743-L975 HydrophobicContact CD2-CD1 4.38Å
744T86.8Confident89.6Confident8 Ų823.9 Ų23.95%0.04911%0.109CC..  trans-83.8166.7163.232.90000110.3K738 G742 E746 N747 I748 R979K738-T744 HydrophobicContact CD-CG2 3.94Å; K738-T744 HydrophobicContact CG-CG2 4.21Å; G742-T744 PolarHBondContact O-N 2.68Å; T744-E746 VanDerWaalsContact C-N 3.27Å; T744-E746 PolarHBondContact O-N 3.08Å; T744-N747 CarbonylContact O-C 3.47Å; T744-N747 PolarHBondContact O-N 2.92Å; T744-I748 WeakPolarHBondContact O-CG1 2.87Å; T744-I748 PolarHBondContact O-N 3.05Å; T744-R979 VanDerWaalsContact CG2-NH2 3.25Å; T744-R979 PolarHBondContact OG1-NH2 2.9Å; T744-R979 VanDerWaalsContact OG1-NH2 3.16Å
745I88.5Confident89.6Confident7 Ų723.8 Ų23.84%0.03611%0.109CC..Hα-helixtrans-61.9-35.7176.7-73.3163.5000111.9G706 L734 N747 I748 L749 W793 L794G706-I745 VanDerWaalsContact CA-CD1 3.44Å; L734-I745 HydrophobicContact CD1-CD1 4.4Å; L734-I745 HydrophobicContact CD1-CG1 4.07Å; L734-I745 HydrophobicContact CD2-CD1 3.56Å; L734-I745 HydrophobicContact CD2-CG1 4.11Å; I745-N747 VanDerWaalsContact C-N 3.32Å; I745-N747 PolarHBondContact O-N 3.02Å; I745-I748 PolarHBondContact O-N 3.14Å; I745-L749 WeakPolarHBondContact O-CB 3.34Å; I745-L749 PolarHBondContact O-N 3.38Å; I745-W793 HydrophobicContact CG2-CZ3 4.31Å; I745-L794 HydrophobicContact CD1-CD1 3.53Å; I745-L794 HydrophobicContact CD1-CD2 3.62Å; I745-L794 HydrophobicContact CD1-CG 3.9Å
746E87.3Confident89.7Confident7 Ų717.8 Ų17.83%0.0338%0.078CC..Hα-helixtrans-52.8-51.2169.5-58.1175-143.300111.3T744 I748 L749 R750 I790 I809T744-E746 VanDerWaalsContact C-N 3.27Å; T744-E746 PolarHBondContact O-N 3.08Å; E746-I748 VanDerWaalsContact C-N 3.33Å; E746-I748 PolarHBondContact O-N 2.98Å; E746-L749 PolarHBondContact O-N 3.31Å; E746-R750 WeakPolarHBondContact O-CB 3.46Å; E746-R750 VanDerWaalsContact O-CG 3.23Å; E746-R750 WeakPolarHBondContact O-CG 3.47Å; E746-R750 PolarHBondContact O-N 3.06Å; E746-R750 IonicContact OE2-CZ 3.91Å; E746-R750 IonicContact OE2-NH1 3.49Å; E746-R750 IonicContact OE2-NH2 3.91Å; E746-R750 PolarHBondContact OE2-NH2 3.01Å; E746-I790 HydrophobicContact CG-CD1 3.25Å; E746-I790 WeakPolarHBondContact OE1-CD1 3.5Å; E746-I809 HydrophobicContact CB-CG1 4.17Å; E746-I809 HydrophobicContact CG-CD1 4.43Å; E746-I809 HydrophobicContact CG-CG1 3.96Å
747N89.6Confident89.8Confident0 Ų017.2 Ų17.20%08%0.076CC..Hα-helixtrans-72.4-24.7-178.5-82.1-20.9000113L743 T744 I745 R750 L751 L775 D779L743-N747 HydrophobicContact CD2-CB 4.47Å; T744-N747 CarbonylContact O-C 3.47Å; T744-N747 PolarHBondContact O-N 2.92Å; I745-N747 VanDerWaalsContact C-N 3.32Å; I745-N747 PolarHBondContact O-N 3.02Å; N747-R750 WeakPolarHBondContact OD1-CD 3.44Å; N747-R750 PolarHBondContact OD1-NH1 2.96Å; N747-L751 WeakPolarHBondContact O-CB 3.48Å; N747-L751 PolarHBondContact O-N 3.28Å; N747-L775 HydrophobicContact CB-CD1 4.32Å; N747-L775 WeakPolarHBondContact O-CD1 3.47Å; N747-D779 PolarHBondContact ND2-OD2 3.22Å; N747-D779 PolarHBondContact OD1-OD2 3.04Å
748I92.4Very high89.7Confident2 Ų217.3 Ų17.31%0.018%0.077CC..Hα-helixtrans-69.5-44.5167.8-69.6169.1000110.6W703 P704 L734 L743 T744 I745 E746 L751 T752W703-I748 HydrophobicContact CB-CG2 3.8Å; W703-I748 HydrophobicContact CE3-CD1 4.14Å; P704-I748 HydrophobicContact CB-CG2 4.45Å; L734-I748 HydrophobicContact CD1-CD1 4.29Å; L743-I748 HydrophobicContact CB-CG1 4.21Å; T744-I748 WeakPolarHBondContact O-CG1 2.87Å; T744-I748 PolarHBondContact O-N 3.05Å; I745-I748 PolarHBondContact O-N 3.14Å; E746-I748 VanDerWaalsContact C-N 3.33Å; E746-I748 PolarHBondContact O-N 2.98Å; I748-L751 PolarHBondContact O-N 3.14Å; I748-T752 WeakPolarHBondContact O-CB 3.34Å; I748-T752 PolarHBondContact O-N 3.19Å; I748-T752 PolarHBondContact O-OG1 3.4Å
749L92.2Very high89.8Confident0 Ų015 Ų150%07%0.066CC..Hα-helixtrans-70.5-39179.9-176.954.3000111.7P704 I745 E746 L751 T752 L753 I809 A862 Y865 L866P704-L749 HydrophobicContact CB-CD1 4.03Å; I745-L749 WeakPolarHBondContact O-CB 3.34Å; I745-L749 PolarHBondContact O-N 3.38Å; E746-L749 PolarHBondContact O-N 3.31Å; L749-L751 VanDerWaalsContact C-N 3.34Å; L749-L751 PolarHBondContact O-N 3.08Å; L749-T752 VanDerWaalsContact O-CB 3.32Å; L749-T752 WeakPolarHBondContact O-CB 3.48Å; L749-T752 PolarHBondContact O-N 3.06Å; L749-L753 WeakPolarHBondContact O-CG 3.38Å; L749-L753 PolarHBondContact O-N 2.82Å; L749-I809 HydrophobicContact CD2-CD1 4.24Å; L749-I809 HydrophobicContact CD2-CG2 4.04Å; L749-I809 HydrophobicContact CG-CG2 4.2Å; L749-A862 HydrophobicContact CD2-CB 4.18Å; L749-Y865 HydrophobicContact CD1-CD2 3.48Å; L749-Y865 VanDerWaalsContact CD1-CD2 3.48Å; L749-Y865 HydrophobicContact CD1-CE2 4.28Å; L749-Y865 HydrophobicContact CD1-CG 3.93Å; L749-L866 HydrophobicContact CD2-CD2 4.26Å; L749-L866 HydrophobicContact CD2-CG 4.12Å
750R92.2Very high90Very high8 Ų88.8 Ų8.83%0.034%0.044CC..Hα-helixtrans-62.5-40.1170.4-67168.6-174.1147.24111.6E746 N747 L754 L775 D779 D808 I809 L813E746-R750 WeakPolarHBondContact O-CB 3.46Å; E746-R750 VanDerWaalsContact O-CG 3.23Å; E746-R750 WeakPolarHBondContact O-CG 3.47Å; E746-R750 PolarHBondContact O-N 3.06Å; E746-R750 IonicContact OE2-CZ 3.91Å; E746-R750 IonicContact OE2-NH1 3.49Å; E746-R750 IonicContact OE2-NH2 3.91Å; E746-R750 PolarHBondContact OE2-NH2 3.01Å; N747-R750 WeakPolarHBondContact OD1-CD 3.44Å; N747-R750 PolarHBondContact OD1-NH1 2.96Å; R750-L754 WeakPolarHBondContact O-CG 3.22Å; R750-L754 PolarHBondContact O-N 2.73Å; R750-L775 HydrophobicContact CB-CD1 3.95Å; R750-L775 HydrophobicContact CB-CD2 3.62Å; R750-L775 HydrophobicContact CB-CG 4.45Å; R750-L775 HydrophobicContact CG-CD2 4.38Å; R750-D779 IonicContact CZ-OD1 2.77Å; R750-D779 IonicContact NH1-OD1 3.66Å; R750-D779 PolarHBondContact NH1-OD1 3.19Å; R750-D808 PolarHBondContact NH2-O 3.19Å; R750-I809 HydrophobicContact CG-CG2 4.2Å; R750-I809 VanDerWaalsContact CG-O 3.25Å; R750-I809 WeakPolarHBondContact CG-O 3.32Å; R750-I809 PolarHBondContact NE-O 3.12Å; R750-L813 HydrophobicContact CB-CD1 4.32Å; R750-L813 HydrophobicContact CB-CD2 4.43Å; R750-L813 HydrophobicContact CB-CG 4.48Å; R750-L813 HydrophobicContact CG-CD1 4.38Å; R750-L813 HydrophobicContact CG-CG 4.41Å
751L92.7Very high90.1Very high1 Ų110.6 Ų10.61%0.0055%0.054CC..Hα-helixtrans-65.6-39.7173.2-177.4156.3000111.8V3 L6 L9 N747 I748 L749 L754 C755 P768 A771 I772 L775V3-L751 HydrophobicContact CG1-CD2 3.57Å; L6-L751 HydrophobicContact CD1-CD2 4.42Å; L9-L751 HydrophobicContact CD2-CD1 3.92Å; N747-L751 WeakPolarHBondContact O-CB 3.48Å; N747-L751 PolarHBondContact O-N 3.28Å; I748-L751 PolarHBondContact O-N 3.14Å; L749-L751 VanDerWaalsContact C-N 3.34Å; L749-L751 PolarHBondContact O-N 3.08Å; L751-L754 PolarHBondContact O-N 3.36Å; L751-C755 HydrophobicContact CD2-CB 4.32Å; L751-C755 WeakPolarHBondContact O-CB 3.18Å; L751-C755 PolarHBondContact O-N 3.44Å; L751-P768 HydrophobicContact CD1-CB 4.25Å; L751-P768 HydrophobicContact CD2-CB 4.44Å; L751-A771 HydrophobicContact CD1-CB 4.46Å; L751-A771 HydrophobicContact CG-CB 3.97Å; L751-I772 HydrophobicContact CD1-CD1 4.46Å; L751-I772 HydrophobicContact CD1-CG1 3.93Å; L751-L775 HydrophobicContact CB-CD1 4.35Å
752T93.3Very high90.4Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-58.4-48.3175.9-60.70000110.8V3 P704 I748 L749 L754 G756 Y865V3-T752 HydrophobicContact CG2-CG2 3.88Å; V3-T752 WeakPolarHBondContact CG2-OG1 3.45Å; P704-T752 HydrophobicContact CB-CG2 4.18Å; P704-T752 HydrophobicContact CG-CG2 4.04Å; I748-T752 WeakPolarHBondContact O-CB 3.34Å; I748-T752 PolarHBondContact O-N 3.19Å; I748-T752 PolarHBondContact O-OG1 3.4Å; L749-T752 VanDerWaalsContact O-CB 3.32Å; L749-T752 WeakPolarHBondContact O-CB 3.48Å; L749-T752 PolarHBondContact O-N 3.06Å; T752-L754 VanDerWaalsContact C-N 3.31Å; T752-L754 PolarHBondContact O-N 3.38Å; T752-G756 CarbonylContact O-C 3.59Å; T752-G756 WeakPolarHBondContact O-CA 3.21Å; T752-G756 PolarHBondContact O-N 2.93Å; T752-Y865 HydrophobicContact CG2-CD2 4.49Å; T752-Y865 HydrophobicContact CG2-CE2 3.68Å
753L93.8Very high90.7Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-62.3-35.6176.2-69.6168.7000113L749 L810 L813 F856 I861 A862L749-L753 WeakPolarHBondContact O-CG 3.38Å; L749-L753 PolarHBondContact O-N 2.82Å; L753-L810 HydrophobicContact CD1-CD2 4Å; L753-L813 HydrophobicContact CB-CD1 3.84Å; L753-L813 HydrophobicContact CD1-CD1 3.54Å; L753-L813 HydrophobicContact CG-CD1 4.35Å; L753-F856 HydrophobicContact CB-CE2 4.28Å; L753-F856 WeakPolarHBondContact O-CE2 3.21Å; L753-I861 HydrophobicContact CD2-CB 3.85Å; L753-I861 HydrophobicContact CD2-CG2 3.72Å; L753-A862 HydrophobicContact CD1-CB 4.45Å
754L93.7Very high90.8Very high0 Ų015.4 Ų15.40%08%0.079CC..Hα-helixtrans-77.1-43179.4-75.7169.8000113.2R750 L751 T752 I763 V766 A771 I774 L775 L813 F856R750-L754 WeakPolarHBondContact O-CG 3.22Å; R750-L754 PolarHBondContact O-N 2.73Å; L751-L754 PolarHBondContact O-N 3.36Å; T752-L754 VanDerWaalsContact C-N 3.31Å; T752-L754 PolarHBondContact O-N 3.38Å; L754-I763 HydrophobicContact CD2-CD1 3.8Å; L754-I763 PolarHBondContact O-N 2.77Å; L754-V766 HydrophobicContact CB-CG1 4.03Å; L754-A771 HydrophobicContact CB-CB 3.91Å; L754-A771 HydrophobicContact CD1-CB 3.9Å; L754-I774 HydrophobicContact CD1-CB 4.39Å; L754-I774 HydrophobicContact CD1-CG2 4.23Å; L754-I774 HydrophobicContact CD2-CD1 4.4Å; L754-L775 HydrophobicContact CD1-CD2 3.88Å; L754-L775 HydrophobicContact CD1-CG 4.16Å; L754-L813 HydrophobicContact CD1-CD2 3.76Å; L754-L813 HydrophobicContact CD2-CD2 4Å; L754-L813 HydrophobicContact CG-CD2 3.77Å; L754-F856 HydrophobicContact CD2-CE1 4.34Å; L754-F856 HydrophobicContact CD2-CZ 3.76Å; L754-F856 HydrophobicContact CG-CZ 4.38Å
755C92.3Very high90.8Very high10 Ų1023.3 Ų23.37%0.06812%0.116CC..Hα-helixtrans-88.3-18.1-173.7-68.60000114.5V3 P4 L751 V766 G767 P768 A771V3-C755 HydrophobicContact CG1-CB 4.11Å; P4-C755 WeakPolarHBondContact CD-O 3.18Å; P4-C755 HydrophobicContact CG-CB 4.2Å; P4-C755 WeakPolarHBondContact CG-O 3.24Å; L751-C755 HydrophobicContact CD2-CB 4.32Å; L751-C755 WeakPolarHBondContact O-CB 3.18Å; L751-C755 PolarHBondContact O-N 3.44Å; C755-V766 WeakPolarHBondContact CA-O 3.38Å; C755-V766 PolarHBondContact SG-O 3.09Å; C755-G767 VanDerWaalsContact SG-C 3.51Å; C755-P768 WeakPolarHBondContact SG-CA 2.93Å; C755-P768 VanDerWaalsContact SG-N 3.42Å; C755-A771 VanDerWaalsContact SG-CB 3.57Å
756G91.7Very high90.8Very high4 Ų423.3 Ų23.34%0.04112%0.116CC..  trans94.3159.7-170.800000112.4V3 P4 T752 T760V3-G756 WeakPolarHBondContact CA-O 3.17Å; P4-G756 WeakPolarHBondContact CD-O 3.38Å; T752-G756 CarbonylContact O-C 3.59Å; T752-G756 WeakPolarHBondContact O-CA 3.21Å; T752-G756 PolarHBondContact O-N 2.93Å; G756-T760 CarbonylContact C-O 3.48Å; G756-T760 WeakPolarHBondContact CA-O 3.42Å
757S91.5Very high90.9Very high13 Ų1324.5 Ų24.59%0.09113%0.13CC..BIsolated β-bridgetrans-163.8-169.1177.167.80000109.4Y759 T760 Y865S757-Y759 PolarHBondContact O-N 2.88Å; S757-Y759 PolarHBondContact OG-N 2.88Å; S757-T760 PolarHBondContact N-O 3.34Å; S757-T760 PolarHBondContact O-N 3.05Å; S757-Y865 WeakPolarHBondContact CB-OH 3.48Å; S757-Y865 PolarHBondContact OG-OH 3.41Å
758D89.5Confident90.8Very high3 Ų325.4 Ų25.42%0.01614%0.136CC..THydrogen-bonded Turntrans-66.3-17.3178.7-82.430000113.7G2 K81 T84 R88 D701G2-D758 PolarHBondContact N-OD1 3.32Å; K81-D758 HydrophobicContact CD-CB 4Å; K81-D758 WeakPolarHBondContact CE-OD2 3.24Å; K81-D758 HydrophobicContact CG-CB 4.31Å; K81-D758 IonicContact NZ-OD2 3.98Å; K81-D758 PolarHBondContact NZ-OD2 3.18Å; T84-D758 WeakPolarHBondContact CB-O 3.47Å; T84-D758 PolarHBondContact OG1-O 3.12Å; R88-D758 IonicContact CZ-OD1 2.84Å; R88-D758 IonicContact CZ-OD2 3.68Å; R88-D758 IonicContact NH1-OD1 3.06Å; R88-D758 IonicContact NH1-OD2 3.24Å; R88-D758 PolarHBondContact NH1-OD2 2.79Å; R88-D758 IonicContact NH2-OD1 2.78Å; R88-D758 PolarHBondContact NH2-OD1 3.27Å; R88-D758 IonicContact NH2-OD2 2.83Å; R88-D758 PolarHBondContact NH2-OD2 3.31Å; R88-D758 VanDerWaalsContact NH2-OD2 3.16Å; D701-D758 PolarHBondContact OD2-N 3.48Å
759Y90.8Very high90.6Very high16 Ų1627.1 Ų27.16%0.06315%0.147CC..THydrogen-bonded Turntrans-96.6-18.7176.7-62-22.9000115.4P78 L80 K81 E678 F705 S757 I861 A864 Y865P78-Y759 HydrophobicContact CG-CE1 3.99Å; L80-Y759 HydrophobicContact CB-CD1 3.98Å; L80-Y759 HydrophobicContact CB-CG 4.24Å; L80-Y759 HydrophobicContact CD1-CG 4.42Å; K81-Y759 HydrophobicContact CB-CD1 4.09Å; K81-Y759 HydrophobicContact CB-CE1 4.05Å; K81-Y759 HydrophobicContact CD-CE1 4.16Å; E678-Y759 WeakPolarHBondContact OE1-CE1 3.33Å; E678-Y759 VanDerWaalsContact OE1-CZ 3.23Å; E678-Y759 PolarHBondContact OE1-OH 2.92Å; F705-Y759 HydrophobicContact CZ-CE2 4.29Å; S757-Y759 PolarHBondContact O-N 2.88Å; S757-Y759 PolarHBondContact OG-N 2.88Å; Y759-I861 HydrophobicContact CD2-CG2 4.18Å; Y759-I861 HydrophobicContact CG-CG2 4.44Å; Y759-A864 HydrophobicContact CD2-CB 3.99Å; Y759-A864 HydrophobicContact CE2-CB 3.68Å; Y759-Y865 HydrophobicContact CD2-CD1 4.49Å; Y759-Y865 AromaticContact CD2-CD2 3.91Å; Y759-Y865 HydrophobicContact CD2-CD2 3.91Å; Y759-Y865 HydrophobicContact CD2-CE1 4.03Å; Y759-Y865 AromaticContact CD2-CE2 3.4Å; Y759-Y865 HydrophobicContact CD2-CE2 3.4Å; Y759-Y865 HydrophobicContact CD2-CG 4.43Å; Y759-Y865 AromaticContact CD2-CZ 3.45Å; Y759-Y865 VanDerWaalsContact CD2-CZ 3.45Å; Y759-Y865 HydrophobicContact CE2-CD1 4.06Å; Y759-Y865 HydrophobicContact CE2-CD2 4.19Å; Y759-Y865 AromaticContact CE2-CE1 3.77Å; Y759-Y865 HydrophobicContact CE2-CE1 3.77Å; Y759-Y865 AromaticContact CE2-CE2 3.94Å; Y759-Y865 HydrophobicContact CE2-CE2 3.94Å; Y759-Y865 HydrophobicContact CE2-CG 4.26Å; Y759-Y865 AromaticContact CE2-CZ 3.71Å; Y759-Y865 HydrophobicContact CG-CE2 4.34Å
760T90.3Very high90.4Very high9 Ų928.1 Ų28.16%0.05515%0.153CC..BIsolated β-bridgetrans-146.6142.4-179177.10000111.8G756 S757 G762 I861G756-T760 CarbonylContact C-O 3.48Å; G756-T760 WeakPolarHBondContact CA-O 3.42Å; S757-T760 PolarHBondContact N-O 3.34Å; S757-T760 PolarHBondContact O-N 3.05Å; T760-G762 PolarHBondContact O-N 3.27Å; T760-G762 PolarHBondContact OG1-N 3.1Å; T760-I861 HydrophobicContact CG2-CD1 4.25Å; T760-I861 HydrophobicContact CG2-CG2 4.36Å
761H88.6Confident90.3Very high123 Ų12327.7 Ų27.757%0.56915%0.151SC*.  trans-67.6-13.2170.764.3-79.9000112.8Y853H761-Y853 AromaticContact CE1-CD1 3.36Å; H761-Y853 WeakPolarHBondContact CE1-CD1 3.5Å; H761-Y853 AromaticContact CE1-CE1 3.99Å; H761-Y853 AromaticContact CE1-CG 3.68Å; H761-Y853 AromaticContact NE2-CD1 3.47Å; H761-Y853 WeakPolarHBondContact NE2-CD1 3.49Å; H761-Y853 AromaticContact NE2-CG 3.93Å
762G90.9Very high90.2Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans77.3-149.7-176.800000112.2T760T760-G762 PolarHBondContact O-N 3.27Å; T760-G762 PolarHBondContact OG1-N 3.1Å
763I90.6Very high89.9Confident7 Ų728.7 Ų28.74%0.03616%0.156CC..  trans-113.8127.2170.4-55.4179.5000108.3L754 Q765 V766 F816 L850 P852 F856L754-I763 HydrophobicContact CD2-CD1 3.8Å; L754-I763 PolarHBondContact O-N 2.77Å; I763-Q765 PolarHBondContact O-N 2.7Å; I763-V766 HydrophobicContact CB-CB 4.16Å; I763-V766 HydrophobicContact CB-CG2 3.65Å; I763-V766 HydrophobicContact CG2-CG2 3.67Å; I763-V766 WeakPolarHBondContact O-CB 3.2Å; I763-V766 PolarHBondContact O-N 3.23Å; I763-F816 HydrophobicContact CD1-CE1 3.87Å; I763-L850 HydrophobicContact CG2-CB 4.1Å; I763-P852 HydrophobicContact CD1-CB 4.22Å; I763-P852 HydrophobicContact CD1-CG 4.19Å; I763-F856 HydrophobicContact CD1-CD1 4.21Å; I763-F856 HydrophobicContact CD1-CD2 4.48Å; I763-F856 HydrophobicContact CD1-CE1 3.93Å; I763-F856 HydrophobicContact CD1-CE2 4.18Å; I763-F856 HydrophobicContact CD1-CZ 3.91Å; I763-F856 HydrophobicContact CG1-CD2 4.46Å; I763-F856 HydrophobicContact CG1-CE2 4.31Å
764D88.3Confident89.7Confident105 Ų10528.8 Ų28.856%0.56116%0.156SC*.THydrogen-bonded Turntrans-49136176.5-63.1-26.9000111.5V766 L850D764-V766 PolarHBondContact O-N 2.83Å; D764-L850 WeakPolarHBondContact O-CD2 3.47Å
765Q86.6Confident89.4Confident175 Ų17528.8 Ų28.882%0.81816%0.156SC*.THydrogen-bonded Turntrans66.68-178.1-52.9-63.8-27.200116I763 G767 L850I763-Q765 PolarHBondContact O-N 2.7Å; Q765-G767 PolarHBondContact O-N 3.14Å; Q765-L850 HydrophobicContact CB-CD2 4.3Å
766V89.8Confident89.1Confident6 Ų628.6 Ų28.64%0.03616%0.155CC..  trans-95.778.5175-171.90000111.9L754 C755 I763 D764 T770 A771 I774 L850L754-V766 HydrophobicContact CB-CG1 4.03Å; C755-V766 WeakPolarHBondContact CA-O 3.38Å; C755-V766 PolarHBondContact SG-O 3.09Å; I763-V766 HydrophobicContact CB-CB 4.16Å; I763-V766 HydrophobicContact CB-CG2 3.65Å; I763-V766 HydrophobicContact CG2-CG2 3.67Å; I763-V766 WeakPolarHBondContact O-CB 3.2Å; I763-V766 PolarHBondContact O-N 3.23Å; D764-V766 PolarHBondContact O-N 2.83Å; V766-T770 HydrophobicContact CG1-CG2 4.25Å; V766-A771 HydrophobicContact CG1-CB 4.08Å; V766-I774 HydrophobicContact CG1-CD1 4.15Å; V766-L850 HydrophobicContact CG2-CD1 3.62Å; V766-L850 HydrophobicContact CG2-CD2 3.59Å; V766-L850 HydrophobicContact CG2-CG 4.16Å
767G88.6Confident88.7Confident32 Ų3230.5 Ų30.533%0.3316%0.163SC..  trans-68.8166.4166.900000113.2C755 Q765 V769 T770 A771C755-G767 VanDerWaalsContact SG-C 3.51Å; Q765-G767 PolarHBondContact O-N 3.14Å; G767-V769 PolarHBondContact O-N 2.84Å; G767-T770 WeakPolarHBondContact O-CA 3.23Å; G767-T770 WeakPolarHBondContact O-CB 2.93Å; G767-T770 PolarHBondContact O-N 3.36Å; G767-A771 PolarHBondContact O-N 3.38Å
768P88.3Confident88.3Confident20 Ų2030.7 Ų30.713%0.1316%0.162CC..Hα-helixtrans-57.2-31.6-172.919.7-33000113.7P4 L9 L751 C755 A771 I772P4-P768 WeakPolarHBondContact O-CD 3.14Å; L9-P768 HydrophobicContact CD2-CB 4.29Å; L751-P768 HydrophobicContact CD1-CB 4.25Å; L751-P768 HydrophobicContact CD2-CB 4.44Å; C755-P768 WeakPolarHBondContact SG-CA 2.93Å; C755-P768 VanDerWaalsContact SG-N 3.42Å; P768-A771 PolarHBondContact O-N 3.33Å; P768-I772 WeakPolarHBondContact O-CD1 3.42Å; P768-I772 WeakPolarHBondContact O-CG1 3.23Å; P768-I772 PolarHBondContact O-N 3.29Å
769V86.5Confident87.7Confident38 Ų3831.4 Ų31.423%0.2317%0.166CC..Hα-helixtrans-66.5-40.7175.7-1690000112G767 E773 R967 V968G767-V769 PolarHBondContact O-N 2.84Å; V769-E773 WeakPolarHBondContact O-CG 3.43Å; V769-E773 PolarHBondContact O-N 2.99Å; V769-R967 HydrophobicContact CG1-CB 4.04Å; V769-R967 HydrophobicContact CG1-CG 3.62Å; V769-V968 HydrophobicContact CB-CG2 4.07Å; V769-V968 HydrophobicContact CG1-CG2 3.64Å; V769-V968 HydrophobicContact CG2-CG2 3.51Å
770T88.6Confident86.3Confident20 Ų2034.5 Ų34.512%0.12319%0.186CC..Hα-helixtrans-72.6-38.8177.6-59.80000110.2V766 G767 E773 I774 R967V766-T770 HydrophobicContact CG1-CG2 4.25Å; G767-T770 WeakPolarHBondContact O-CA 3.23Å; G767-T770 WeakPolarHBondContact O-CB 2.93Å; G767-T770 PolarHBondContact O-N 3.36Å; T770-E773 PolarHBondContact O-N 3.05Å; T770-I774 HydrophobicContact CG2-CD1 4.17Å; T770-I774 WeakPolarHBondContact O-CG1 3.22Å; T770-I774 PolarHBondContact O-N 3.04Å; T770-R967 PolarHBondContact OG1-NH2 2.87Å
771A91Very high84.9Confident0 Ų036.2 Ų36.20%021%0.206CC..Hα-helixtrans-57.7-50.7173.300000111.9L751 L754 C755 V766 G767 P768 E773 I774 L775L751-A771 HydrophobicContact CD1-CB 4.46Å; L751-A771 HydrophobicContact CG-CB 3.97Å; L754-A771 HydrophobicContact CB-CB 3.91Å; L754-A771 HydrophobicContact CD1-CB 3.9Å; C755-A771 VanDerWaalsContact SG-CB 3.57Å; V766-A771 HydrophobicContact CG1-CB 4.08Å; G767-A771 PolarHBondContact O-N 3.38Å; P768-A771 PolarHBondContact O-N 3.33Å; A771-E773 PolarHBondContact O-N 3.3Å; A771-I774 WeakPolarHBondContact O-CB 3.5Å; A771-I774 PolarHBondContact O-N 2.73Å; A771-I774 VanDerWaalsContact O-N 3.08Å; A771-L775 WeakPolarHBondContact O-CG 3.49Å; A771-L775 PolarHBondContact O-N 3.32Å
772I89.2Confident83.4Confident1 Ų132.2 Ų32.21%0.00519%0.189CC..Hα-helixtrans-58.2-36.2176.7-63.7163.9000111.9L9 L743 L751 P768 S776 V968 A971 L975L9-I772 HydrophobicContact CD1-CD1 3.5Å; L9-I772 VanDerWaalsContact CD1-CD1 3.5Å; L9-I772 HydrophobicContact CD2-CD1 3.66Å; L9-I772 HydrophobicContact CG-CD1 4.21Å; L743-I772 HydrophobicContact CD2-CG1 4.48Å; L751-I772 HydrophobicContact CD1-CD1 4.46Å; L751-I772 HydrophobicContact CD1-CG1 3.93Å; P768-I772 WeakPolarHBondContact O-CD1 3.42Å; P768-I772 WeakPolarHBondContact O-CG1 3.23Å; P768-I772 PolarHBondContact O-N 3.29Å; I772-S776 VanDerWaalsContact O-CB 3.29Å; I772-S776 WeakPolarHBondContact O-CB 3.35Å; I772-S776 PolarHBondContact O-N 3.14Å; I772-S776 PolarHBondContact O-OG 3.46Å; I772-V968 HydrophobicContact CD1-CG1 4.43Å; I772-A971 HydrophobicContact CB-CB 4.32Å; I772-A971 HydrophobicContact CG2-CB 3.55Å; I772-L975 HydrophobicContact CG2-CD1 3.71Å
773E88.2Confident81.7Confident21 Ų2137.4 Ų37.410%0.09822%0.216CC..Hα-helixtrans-68.1-41.2175.6-71.7-179.5162.500112.4V769 T770 A771 S776 E777 W847 R967 A971V769-E773 WeakPolarHBondContact O-CG 3.43Å; V769-E773 PolarHBondContact O-N 2.99Å; T770-E773 PolarHBondContact O-N 3.05Å; A771-E773 PolarHBondContact O-N 3.3Å; E773-S776 PolarHBondContact O-N 3.04Å; E773-S776 PolarHBondContact O-OG 2.77Å; E773-E777 PolarHBondContact O-N 3.24Å; E773-W847 HydrophobicContact CB-CZ2 3.8Å; E773-W847 WeakPolarHBondContact O-CH2 3.32Å; E773-R967 WeakPolarHBondContact OE1-CD 3.33Å; E773-R967 WeakPolarHBondContact OE1-CG 3.47Å; E773-R967 IonicContact OE1-CZ 3.16Å; E773-R967 IonicContact OE1-NE 3.86Å; E773-R967 PolarHBondContact OE1-NE 3.13Å; E773-R967 IonicContact OE1-NH2 3.02Å; E773-R967 IonicContact OE2-CZ 2.85Å; E773-R967 IonicContact OE2-NE 3.44Å; E773-R967 PolarHBondContact OE2-NE 2.79Å; E773-R967 VanDerWaalsContact OE2-NE 3.15Å; E773-R967 IonicContact OE2-NH2 2.74Å; E773-R967 PolarHBondContact OE2-NH2 2.78Å; E773-A971 HydrophobicContact CG-CB 3.71Å
774I88.9Confident80.1Confident1 Ų143.5 Ų43.51%0.00525%0.249CC..Hα-helixtrans-59.7-52.6173.5-67.2166.1000109.3L754 V766 T770 A771 S776 E777 F778 F816 W847 L850L754-I774 HydrophobicContact CD1-CB 4.39Å; L754-I774 HydrophobicContact CD1-CG2 4.23Å; L754-I774 HydrophobicContact CD2-CD1 4.4Å; V766-I774 HydrophobicContact CG1-CD1 4.15Å; T770-I774 HydrophobicContact CG2-CD1 4.17Å; T770-I774 WeakPolarHBondContact O-CG1 3.22Å; T770-I774 PolarHBondContact O-N 3.04Å; A771-I774 WeakPolarHBondContact O-CB 3.5Å; A771-I774 PolarHBondContact O-N 2.73Å; A771-I774 VanDerWaalsContact O-N 3.08Å; I774-S776 VanDerWaalsContact C-N 3.32Å; I774-S776 PolarHBondContact O-N 3.34Å; I774-E777 PolarHBondContact O-N 3.14Å; I774-F778 HydrophobicContact CG2-CD2 4.01Å; I774-F778 HydrophobicContact CG2-CE2 4.48Å; I774-F778 WeakPolarHBondContact O-CD2 3.45Å; I774-F778 PolarHBondContact O-N 3.29Å; I774-F778 VanDerWaalsContact O-N 3.11Å; I774-F816 HydrophobicContact CD1-CE2 4.01Å; I774-F816 HydrophobicContact CD1-CZ 4.09Å; I774-F816 HydrophobicContact CG1-CE2 4.22Å; I774-F816 HydrophobicContact CG2-CB 4.35Å; I774-F816 HydrophobicContact CG2-CD2 3.65Å; I774-F816 HydrophobicContact CG2-CE2 4.06Å; I774-F816 HydrophobicContact CG2-CG 3.95Å; I774-W847 HydrophobicContact CB-CH2 4.38Å; I774-W847 HydrophobicContact CB-CZ2 4.35Å; I774-W847 HydrophobicContact CG1-CD2 3.81Å; I774-W847 HydrophobicContact CG1-CE3 4.15Å; I774-W847 HydrophobicContact CG1-CG 4.35Å; I774-W847 HydrophobicContact CG1-CH2 4.02Å; I774-W847 HydrophobicContact CG1-CZ2 3.64Å; I774-W847 HydrophobicContact CG1-CZ3 4.24Å; I774-L850 HydrophobicContact CD1-CD1 4.13Å
775L87.8Confident78.7Confident1 Ų142.9 Ų42.91%0.00525%0.253CS..Hα-helixtrans-56.6-45.7177.3-59.7-177.9000111N747 R750 L751 L754 A771 E777 F778 D779 L813 L975N747-L775 HydrophobicContact CB-CD1 4.32Å; N747-L775 WeakPolarHBondContact O-CD1 3.47Å; R750-L775 HydrophobicContact CB-CD1 3.95Å; R750-L775 HydrophobicContact CB-CD2 3.62Å; R750-L775 HydrophobicContact CB-CG 4.45Å; R750-L775 HydrophobicContact CG-CD2 4.38Å; L751-L775 HydrophobicContact CB-CD1 4.35Å; L754-L775 HydrophobicContact CD1-CD2 3.88Å; L754-L775 HydrophobicContact CD1-CG 4.16Å; A771-L775 WeakPolarHBondContact O-CG 3.49Å; A771-L775 PolarHBondContact O-N 3.32Å; L775-E777 PolarHBondContact O-N 2.96Å; L775-F778 PolarHBondContact O-N 3.29Å; L775-D779 WeakPolarHBondContact O-CB 3.49Å; L775-D779 PolarHBondContact O-N 3.29Å; L775-L813 HydrophobicContact CD2-CD2 4.07Å; L775-L975 HydrophobicContact CB-CD2 4.25Å
776S84.9Confident77.2Confident5 Ų536 Ų364%0.03522%0.222CC..Hα-helixtrans-62.7-12.3179.5780000115.9I772 E773 I774 Q978I772-S776 VanDerWaalsContact O-CB 3.29Å; I772-S776 WeakPolarHBondContact O-CB 3.35Å; I772-S776 PolarHBondContact O-N 3.14Å; I772-S776 PolarHBondContact O-OG 3.46Å; E773-S776 PolarHBondContact O-N 3.04Å; E773-S776 PolarHBondContact O-OG 2.77Å; I774-S776 VanDerWaalsContact C-N 3.32Å; I774-S776 PolarHBondContact O-N 3.34Å; S776-Q978 PolarHBondContact O-NE2 3.45Å
777E83.9Confident76Confident44 Ų4436.6 Ų36.621%0.20623%0.225CC..Hα-helixtrans-106.4-23.3-178.8-176.674.9-165.200112.7E773 I774 L775 N841 R844 W847E773-E777 PolarHBondContact O-N 3.24Å; I774-E777 PolarHBondContact O-N 3.14Å; L775-E777 PolarHBondContact O-N 2.96Å; E777-N841 PolarHBondContact OE1-ND2 3.31Å; E777-R844 HydrophobicContact CG-CG 4.47Å; E777-R844 IonicContact OE1-CZ 3.34Å; E777-R844 VanDerWaalsContact OE1-CZ 3.24Å; E777-R844 IonicContact OE1-NE 3.3Å; E777-R844 PolarHBondContact OE1-NE 2.9Å; E777-R844 IonicContact OE1-NH2 2.75Å; E777-R844 PolarHBondContact OE1-NH2 3.44Å; E777-W847 HydrophobicContact CB-CH2 3.81Å; E777-W847 HydrophobicContact CB-CZ3 4.07Å; E777-W847 HydrophobicContact CG-CH2 4.06Å; E777-W847 HydrophobicContact CG-CZ3 3.91Å
778F83.7Confident75Confident17 Ų1738.7 Ų38.78%0.07523%0.233CC..Hα-helixtrans-117.9-6.4-178.2-68.2-82.6000114.6I774 L775 V780 P812 Q815 F816 W819 W847I774-F778 HydrophobicContact CG2-CD2 4.01Å; I774-F778 HydrophobicContact CG2-CE2 4.48Å; I774-F778 WeakPolarHBondContact O-CD2 3.45Å; I774-F778 PolarHBondContact O-N 3.29Å; I774-F778 VanDerWaalsContact O-N 3.11Å; L775-F778 PolarHBondContact O-N 3.29Å; F778-V780 PolarHBondContact O-N 3.22Å; F778-P812 HydrophobicContact CB-CB 4.4Å; F778-Q815 HydrophobicContact CD1-CB 4.11Å; F778-F816 HydrophobicContact CD2-CB 4.11Å; F778-F816 HydrophobicContact CD2-CD2 4.19Å; F778-F816 HydrophobicContact CE2-CB 4.19Å; F778-F816 AromaticContact CE2-CD2 3.68Å; F778-F816 HydrophobicContact CE2-CD2 3.68Å; F778-F816 HydrophobicContact CE2-CG 4.43Å; F778-F816 HydrophobicContact CG-CB 4.28Å; F778-F816 HydrophobicContact CZ-CB 4.41Å; F778-F816 HydrophobicContact CZ-CD2 4.18Å; F778-W819 HydrophobicContact CE1-CB 3.93Å; F778-W819 HydrophobicContact CE1-CG 4.21Å; F778-W819 HydrophobicContact CE2-CE3 4.44Å; F778-W819 HydrophobicContact CZ-CB 3.99Å; F778-W819 AromaticContact CZ-CD2 3.84Å; F778-W819 HydrophobicContact CZ-CD2 3.84Å; F778-W819 AromaticContact CZ-CE3 3.87Å; F778-W819 HydrophobicContact CZ-CE3 3.87Å; F778-W819 AromaticContact CZ-CG 3.87Å; F778-W819 HydrophobicContact CZ-CG 3.87Å; F778-W847 HydrophobicContact CD2-CZ3 4.47Å; F778-W847 HydrophobicContact CE2-CE3 4.27Å; F778-W847 AromaticContact CE2-CZ3 3.81Å; F778-W847 HydrophobicContact CE2-CZ3 3.81Å
779D75.6Confident74Confident19 Ų1939.9 Ų39.910%0.10224%0.237CC..PPolyproline II helixtrans-59.2122.2172.3-121.7-15.4000109.1N747 R750 L775 L975N747-D779 PolarHBondContact ND2-OD2 3.22Å; N747-D779 PolarHBondContact OD1-OD2 3.04Å; R750-D779 IonicContact CZ-OD1 2.77Å; R750-D779 IonicContact NH1-OD1 3.66Å; R750-D779 PolarHBondContact NH1-OD1 3.19Å; L775-D779 WeakPolarHBondContact O-CB 3.49Å; L775-D779 PolarHBondContact O-N 3.29Å; D779-L975 HydrophobicContact CB-CD2 4.44Å; D779-L975 WeakPolarHBondContact OD2-CD2 3.49Å
780V62.7Low73.4Confident80 Ų8038.7 Ų38.749%0.48523%0.229SC..PPolyproline II helixtrans-81.1121.9163.9178.50000105.1F778 D782F778-V780 PolarHBondContact O-N 3.22Å; V780-D782 PolarHBondContact O-N 3.36Å
781G60.1Low72.7Confident46 Ų4640.8 Ų40.847%0.47424%0.24SC..PPolyproline II helixtrans-51.3131.4-166.600000112.8D783G781-D783 PolarHBondContact O-N 2.94Å; G781-D783 VanDerWaalsContact O-N 3.09Å
782D57.1Low72.1Confident39 Ų3944.2 Ų44.221%0.20926%0.258CS..  trans-39110.5-175-69.723.3000113.4V780 D784 R979V780-D782 PolarHBondContact O-N 3.36Å; D782-D784 PolarHBondContact O-N 3.25Å; D782-R979 IonicContact OD1-NE 2.88Å; D782-R979 IonicContact OD1-NH2 3.13Å; D782-R979 IonicContact OD2-CZ 2.91Å; D782-R979 IonicContact OD2-NE 3.86Å; D782-R979 PolarHBondContact OD2-NE 2.74Å; D782-R979 IonicContact OD2-NH2 3.55Å; D782-R979 PolarHBondContact OD2-NH2 2.71Å
783D55.5Low71.6Confident109 Ų10944.3 Ų44.358%0.58326%0.258SS*.  trans-65.6118162.6-91.5-31.8000108.4G781 S785 L786G781-D783 PolarHBondContact O-N 2.94Å; G781-D783 VanDerWaalsContact O-N 3.09Å; D783-S785 PolarHBondContact O-N 2.8Å; D783-L786 HydrophobicContact CB-CD1 4.21Å; D783-L786 HydrophobicContact CB-CG 4.11Å; D783-L786 PolarHBondContact O-N 3.31Å
784D56.7Low71.2Confident134 Ų13443.8 Ų43.872%0.71726%0.256SS*.Hα-helixtrans-53.2-25.7177.6-82.1-39.7000112.5D782 C788D782-D784 PolarHBondContact O-N 3.25Å; D784-C788 PolarHBondContact O-SG 3.08Å; D784-C788 VanDerWaalsContact O-SG 3.32Å
785S58.2Low70.5Confident92 Ų9249.6 Ų49.664%0.64328%0.283SS*.Hα-helixtrans-59.7-41173.4-550000113.4D783 C788D783-S785 PolarHBondContact O-N 2.8Å; S785-C788 WeakPolarHBondContact O-CB 3.37Å; S785-C788 PolarHBondContact O-N 3.01Å
786L55.9Low69.6Low31 Ų3151.2 Ų51.216%0.16230%0.3CS..Hα-helixtrans-74.3-37.2-176.7-62178.3000111.8D783 C788 E789 I790 D808D783-L786 HydrophobicContact CB-CD1 4.21Å; D783-L786 HydrophobicContact CB-CG 4.11Å; D783-L786 PolarHBondContact O-N 3.31Å; L786-C788 PolarHBondContact O-N 3.16Å; L786-C788 VanDerWaalsContact O-N 3.16Å; L786-E789 PolarHBondContact O-N 3.37Å; L786-E789 VanDerWaalsContact O-N 3.16Å; L786-I790 PolarHBondContact O-N 3.19Å; L786-D808 HydrophobicContact CD1-CB 3.93Å; L786-D808 WeakPolarHBondContact CD2-OD2 3.15Å
787N65.7Low69Low19 Ų1955.8 Ų55.810%0.10233%0.327CS..Hα-helixtrans-54.1-34.7171.3-87.4-80.7000111.4K738 N791K738-N787 PolarHBondContact NZ-OD1 3.3Å; N787-N791 WeakPolarHBondContact O-CB 3.42Å; N787-N791 PolarHBondContact O-N 2.96Å; N787-N791 VanDerWaalsContact O-N 3.08Å; N787-N791 PolarHBondContact O-ND2 3.36Å
788C66.1Low68.3Low75 Ų7556.4 Ų56.451%0.50733%0.334SS..Hα-helixtrans-69.9-44.4178.4-61.80000112.8D784 S785 L786 N791 N792D784-C788 PolarHBondContact O-SG 3.08Å; D784-C788 VanDerWaalsContact O-SG 3.32Å; S785-C788 WeakPolarHBondContact O-CB 3.37Å; S785-C788 PolarHBondContact O-N 3.01Å; L786-C788 PolarHBondContact O-N 3.16Å; L786-C788 VanDerWaalsContact O-N 3.16Å; C788-N791 PolarHBondContact O-N 2.97Å; C788-N792 VanDerWaalsContact O-CG 3.23Å; C788-N792 PolarHBondContact O-N 3.06Å; C788-N792 PolarHBondContact O-ND2 2.94Å
789E67.8Low67.5Low45 Ų4561 Ų6121%0.2136%0.36CS..Hα-helixtrans-65.8-44.1179.3-177.5165.1-164.700112L786 N791 N792 W793 S802L786-E789 PolarHBondContact O-N 3.37Å; L786-E789 VanDerWaalsContact O-N 3.16Å; E789-N791 PolarHBondContact O-N 2.78Å; E789-N792 WeakPolarHBondContact O-CB 3.18Å; E789-N792 PolarHBondContact O-N 3.48Å; E789-W793 PolarHBondContact O-N 3.48Å; E789-S802 WeakPolarHBondContact OE1-CB 3.48Å; E789-S802 PolarHBondContact OE1-N 2.92Å; E789-S802 PolarHBondContact OE1-OG 3.24Å
790I73.2Confident67.3Low13 Ų1366.8 Ų66.87%0.06739%0.386CS..Hα-helixtrans-60.7-45.4174.1-78.9-170.4000111.7E746 L786 N792 W793 L794 L805E746-I790 HydrophobicContact CG-CD1 3.25Å; E746-I790 WeakPolarHBondContact OE1-CD1 3.5Å; L786-I790 PolarHBondContact O-N 3.19Å; I790-N792 VanDerWaalsContact C-N 3.27Å; I790-N792 PolarHBondContact O-N 3.01Å; I790-W793 PolarHBondContact O-N 3.29Å; I790-L794 HydrophobicContact CG2-CD1 3.7Å; I790-L794 WeakPolarHBondContact O-CD1 3.26Å; I790-L794 PolarHBondContact O-N 3.04Å; I790-L805 HydrophobicContact CD1-CD1 3.9Å; I790-L805 HydrophobicContact CD1-CD2 4.21Å; I790-L805 HydrophobicContact CG1-CD1 3.8Å; I790-L805 HydrophobicContact CG1-CD2 3.68Å; I790-L805 HydrophobicContact CG1-CG 4.37Å
791N74.1Confident67.8Low64 Ų6463.2 Ų63.234%0.34237%0.365SS..Hα-helixtrans-59.5-41.9177.7-71.4-24.6000110.7N787 C788 E789 L794 H795N787-N791 WeakPolarHBondContact O-CB 3.42Å; N787-N791 PolarHBondContact O-N 2.96Å; N787-N791 VanDerWaalsContact O-N 3.08Å; N787-N791 PolarHBondContact O-ND2 3.36Å; C788-N791 PolarHBondContact O-N 2.97Å; E789-N791 PolarHBondContact O-N 2.78Å; N791-L794 PolarHBondContact O-N 2.95Å; N791-H795 WeakPolarHBondContact O-CB 3.4Å; N791-H795 PolarHBondContact O-CD2 2.8Å; N791-H795 PolarHBondContact O-N 2.93Å
792N78Confident68.5Low72 Ų7263.6 Ų63.639%0.38536%0.36SS..Hα-helixtrans-60.8-45.8176.4-68.7-17.9000112.4C788 E789 I790 H795 G796 V797 V798C788-N792 VanDerWaalsContact O-CG 3.23Å; C788-N792 PolarHBondContact O-N 3.06Å; C788-N792 PolarHBondContact O-ND2 2.94Å; E789-N792 WeakPolarHBondContact O-CB 3.18Å; E789-N792 PolarHBondContact O-N 3.48Å; I790-N792 VanDerWaalsContact C-N 3.27Å; I790-N792 PolarHBondContact O-N 3.01Å; N792-H795 PolarHBondContact O-N 3.17Å; N792-G796 PolarHBondContact O-N 2.81Å; N792-V797 HydrophobicContact CB-CB 4.12Å; N792-V797 WeakPolarHBondContact O-CB 3.44Å; N792-V797 PolarHBondContact O-N 3.28Å; N792-V798 HydrophobicContact CB-CG2 4.17Å
793W80.4Confident69.6Low3 Ų367.4 Ų67.41%0.01138%0.377CS..Hα-helixtrans-61.1-44.9175.1176.362.1000112.3R688 I745 E789 I790 H795 G796 V798 D799 P801 L866R688-W793 VanDerWaalsContact NH1-NE1 3.19Å; I745-W793 HydrophobicContact CG2-CZ3 4.31Å; E789-W793 PolarHBondContact O-N 3.48Å; I790-W793 PolarHBondContact O-N 3.29Å; W793-H795 VanDerWaalsContact C-N 3.32Å; W793-H795 PolarHBondContact O-N 3.15Å; W793-G796 PolarHBondContact O-N 3.49Å; W793-V798 WeakPolarHBondContact CA-O 3.49Å; W793-D799 PolarHBondContact NE1-O 2.87Å; W793-P801 HydrophobicContact CD2-CG 4.49Å; W793-P801 HydrophobicContact CG-CB 4.46Å; W793-P801 HydrophobicContact CG-CG 4.45Å; W793-L866 HydrophobicContact CH2-CD2 3.59Å; W793-L866 HydrophobicContact CZ2-CD2 4.09Å; W793-L866 WeakPolarHBondContact CZ2-O 3.43Å; W793-L866 HydrophobicContact CZ3-CD2 3.93Å
794L78.6Confident70.7Confident10 Ų1069.5 Ų69.55%0.05238%0.38CS..Hα-helixtrans-60-43.8175.9-97.771000111.8K708 L734 I745 I790 N791 G796K708-L794 WeakPolarHBondContact CE-O 3.36Å; K708-L794 PolarHBondContact NZ-O 3.3Å; L734-L794 HydrophobicContact CD2-CD2 3.43Å; L734-L794 VanDerWaalsContact CD2-CD2 3.43Å; I745-L794 HydrophobicContact CD1-CD1 3.53Å; I745-L794 HydrophobicContact CD1-CD2 3.62Å; I745-L794 HydrophobicContact CD1-CG 3.9Å; I790-L794 HydrophobicContact CG2-CD1 3.7Å; I790-L794 WeakPolarHBondContact O-CD1 3.26Å; I790-L794 PolarHBondContact O-N 3.04Å; N791-L794 PolarHBondContact O-N 2.95Å; L794-G796 PolarHBondContact O-N 3.47Å
795H75.4Confident71.8Confident123 Ų12363.1 Ų63.157%0.56935%0.346SS*.THydrogen-bonded Turntrans-76.72.5-178.2-75.4-70.7000113.8N791 N792 W793 V797N791-H795 WeakPolarHBondContact O-CB 3.4Å; N791-H795 PolarHBondContact O-CD2 2.8Å; N791-H795 PolarHBondContact O-N 2.93Å; N792-H795 PolarHBondContact O-N 3.17Å; W793-H795 VanDerWaalsContact C-N 3.32Å; W793-H795 PolarHBondContact O-N 3.15Å; H795-V797 HydrophobicContact CB-CG2 3.96Å; H795-V797 PolarHBondContact O-N 3.05Å
796G68.9Low73.1Confident35 Ų3559.8 Ų59.836%0.36132%0.321SS..THydrogen-bonded Turntrans67.524.3-17900000112.8N792 W793 L794N792-G796 PolarHBondContact O-N 2.81Å; W793-G796 PolarHBondContact O-N 3.49Å; L794-G796 PolarHBondContact O-N 3.47Å
797V71Confident74.5Confident101 Ų10163 Ų6361%0.61234%0.335SS*.SBendtrans-82.8-22.7175-1760000110.4N792 H795N792-V797 HydrophobicContact CB-CB 4.12Å; N792-V797 WeakPolarHBondContact O-CB 3.44Å; N792-V797 PolarHBondContact O-N 3.28Å; H795-V797 HydrophobicContact CB-CG2 3.96Å; H795-V797 PolarHBondContact O-N 3.05Å
798V69.7Low75.3Confident58 Ų5864 Ų6435%0.35234%0.341SS..  trans-140.6124.9176.4-177.40000107.4N792 W793 E800N792-V798 HydrophobicContact CB-CG2 4.17Å; W793-V798 WeakPolarHBondContact CA-O 3.49Å; V798-E800 WeakPolarHBondContact CG1-O 3.02Å
799D67Low76.3Confident114 Ų11460.6 Ų60.661%0.6132%0.317SS*.SBendtrans-73.2-42.7-178.5-56.7-52.4000111.9W793W793-D799 PolarHBondContact NE1-O 2.87Å
800E70.5Confident77.3Confident139 Ų13959 Ų5965%0.6531%0.31SS*.SBendtrans-116.1118-178.2-66.1-166155.900110.9V798 Y867V798-E800 WeakPolarHBondContact CG1-O 3.02Å; E800-Y867 HydrophobicContact CB-CD1 4.03Å; E800-Y867 HydrophobicContact CB-CE1 3.94Å; E800-Y867 HydrophobicContact CG-CD1 4.05Å; E800-Y867 HydrophobicContact CG-CE1 4.45Å
801P73.4Confident78.1Confident6 Ų661.2 Ų61.24%0.03932%0.32CS..  trans-66.4162.4175.328.1-31.7000110.9W793 L805 L866 Y867W793-P801 HydrophobicContact CD2-CG 4.49Å; W793-P801 HydrophobicContact CG-CB 4.46Å; W793-P801 HydrophobicContact CG-CG 4.45Å; P801-L805 HydrophobicContact CB-CD2 3.69Å; P801-L805 HydrophobicContact CG-CD2 4.32Å; P801-L866 HydrophobicContact CG-CB 4.26Å; P801-L866 HydrophobicContact CG-CD2 4.47Å; P801-Y867 HydrophobicContact CG-CE1 3.95Å; P801-Y867 HydrophobicContact CG-CE2 4.42Å; P801-Y867 WeakPolarHBondContact O-CE1 3.48Å; P801-Y867 PolarHBondContact O-OH 3.41Å
802S75.6Confident78.8Confident54 Ų5458.3 Ų58.338%0.37831%0.305SS..  trans-67147.7175.8-56.90000111.7E789 K804 L805E789-S802 WeakPolarHBondContact OE1-CB 3.48Å; E789-S802 PolarHBondContact OE1-N 2.92Å; E789-S802 PolarHBondContact OE1-OG 3.24Å; S802-K804 PolarHBondContact O-N 3.28Å; S802-L805 WeakPolarHBondContact O-CB 3.48Å; S802-L805 PolarHBondContact O-N 3.17Å
803E79.7Confident79.4Confident119 Ų11954.9 Ų54.956%0.55629%0.286SS*.Hα-helixtrans-59.4-16.4171.5-67.8-162.7141.700113.6L806 H807 R863E803-L806 WeakPolarHBondContact O-CB 3.37Å; E803-L806 PolarHBondContact O-N 3.07Å; E803-H807 PolarHBondContact O-N 3.37Å; E803-R863 IonicContact OE1-CZ 3.09Å; E803-R863 IonicContact OE1-NH1 3.87Å; E803-R863 PolarHBondContact OE1-NH1 2.78Å; E803-R863 IonicContact OE1-NH2 3.02Å; E803-R863 PolarHBondContact OE1-NH2 3.42Å
804K79Confident79.9Confident153 Ų15358.4 Ų58.467%0.66530%0.303SS*.Hα-helixtrans-58.2-47.7168.8-64-178.3-178.8177.30111.9S802 L806 H807 D808S802-K804 PolarHBondContact O-N 3.28Å; K804-L806 PolarHBondContact O-N 3.04Å; K804-H807 WeakPolarHBondContact O-CA 3.32Å; K804-H807 WeakPolarHBondContact O-CB 3.4Å; K804-H807 PolarHBondContact O-N 3.39Å; K804-D808 VanDerWaalsContact O-CG 3.25Å; K804-D808 PolarHBondContact O-N 3.31Å; K804-D808 VanDerWaalsContact O-OD2 3.09Å
805L79.6Confident80.4Confident0 Ų061.6 Ų61.60%032%0.317CS..Hα-helixtrans-59.1-36.1-179.3-174.669000111.8I790 P801 S802 H807 D808 I809 L866I790-L805 HydrophobicContact CD1-CD1 3.9Å; I790-L805 HydrophobicContact CD1-CD2 4.21Å; I790-L805 HydrophobicContact CG1-CD1 3.8Å; I790-L805 HydrophobicContact CG1-CD2 3.68Å; I790-L805 HydrophobicContact CG1-CG 4.37Å; P801-L805 HydrophobicContact CB-CD2 3.69Å; P801-L805 HydrophobicContact CG-CD2 4.32Å; S802-L805 WeakPolarHBondContact O-CB 3.48Å; S802-L805 PolarHBondContact O-N 3.17Å; L805-H807 VanDerWaalsContact C-N 3.35Å; L805-D808 PolarHBondContact O-N 2.94Å; L805-I809 HydrophobicContact CD1-CD1 4.3Å; L805-I809 HydrophobicContact CD2-CD1 4.28Å; L805-I809 HydrophobicContact CG-CD1 3.79Å; L805-I809 HydrophobicContact CG-CG1 4.45Å; L805-I809 WeakPolarHBondContact O-CB 3.45Å; L805-I809 WeakPolarHBondContact O-CD1 3.05Å; L805-I809 VanDerWaalsContact O-CG1 3.22Å; L805-I809 WeakPolarHBondContact O-CG1 3.42Å; L805-I809 PolarHBondContact O-N 2.75Å; L805-L866 HydrophobicContact CD2-CD2 4.48Å
806L85.4Confident81.1Confident21 Ų2155.7 Ų55.711%0.1129%0.29CS..Hα-helixtrans-61-43.7174177.162.7000111.3E803 K804 L810 A862 R863 L866E803-L806 WeakPolarHBondContact O-CB 3.37Å; E803-L806 PolarHBondContact O-N 3.07Å; K804-L806 PolarHBondContact O-N 3.04Å; L806-L810 HydrophobicContact CD1-CD1 3.92Å; L806-L810 HydrophobicContact CD1-CG 4.46Å; L806-L810 HydrophobicContact CG-CD1 4.08Å; L806-L810 WeakPolarHBondContact O-CD1 3.47Å; L806-L810 WeakPolarHBondContact O-CG 3.49Å; L806-L810 PolarHBondContact O-N 3.22Å; L806-A862 HydrophobicContact CD1-CB 3.43Å; L806-A862 VanDerWaalsContact CD1-CB 3.43Å; L806-R863 HydrophobicContact CD2-CB 4.39Å; L806-L866 HydrophobicContact CB-CD1 4.39Å; L806-L866 HydrophobicContact CD1-CD1 4.17Å
807H85Confident82Confident99 Ų9954.7 Ų54.746%0.45828%0.277SS..Hα-helixtrans-65.1-45.3175.2-173.850.3000111.8E803 K804 L805 I809 L810 Q811 E814E803-H807 PolarHBondContact O-N 3.37Å; K804-H807 WeakPolarHBondContact O-CA 3.32Å; K804-H807 WeakPolarHBondContact O-CB 3.4Å; K804-H807 PolarHBondContact O-N 3.39Å; L805-H807 VanDerWaalsContact C-N 3.35Å; H807-I809 VanDerWaalsContact C-N 3.31Å; H807-I809 PolarHBondContact O-N 2.9Å; H807-L810 PolarHBondContact O-N 3.33Å; H807-L810 VanDerWaalsContact O-N 3.07Å; H807-Q811 WeakPolarHBondContact O-CB 3.23Å; H807-Q811 PolarHBondContact O-N 2.91Å; H807-E814 IonicContact CE1-OE2 3.63Å
808D82.4Confident82.8Confident41 Ų4155.7 Ų55.722%0.21928%0.275CS..Hα-helixtrans-65.9-32-178-56.1-36.2000112.6R750 L786 K804 L805 P812R750-D808 PolarHBondContact NH2-O 3.19Å; L786-D808 HydrophobicContact CD1-CB 3.93Å; L786-D808 WeakPolarHBondContact CD2-OD2 3.15Å; K804-D808 VanDerWaalsContact O-CG 3.25Å; K804-D808 PolarHBondContact O-N 3.31Å; K804-D808 VanDerWaalsContact O-OD2 3.09Å; L805-D808 PolarHBondContact O-N 2.94Å; D808-P812 WeakPolarHBondContact O-CD 3.34Å
809I86.6Confident83.7Confident2 Ų254.1 Ų54.11%0.0126%0.262CS..Hα-helixtrans-67.6-41.4171.8-73.9163.8000111E746 L749 R750 L805 H807 L866E746-I809 HydrophobicContact CB-CG1 4.17Å; E746-I809 HydrophobicContact CG-CD1 4.43Å; E746-I809 HydrophobicContact CG-CG1 3.96Å; L749-I809 HydrophobicContact CD2-CD1 4.24Å; L749-I809 HydrophobicContact CD2-CG2 4.04Å; L749-I809 HydrophobicContact CG-CG2 4.2Å; R750-I809 HydrophobicContact CG-CG2 4.2Å; R750-I809 VanDerWaalsContact CG-O 3.25Å; R750-I809 WeakPolarHBondContact CG-O 3.32Å; R750-I809 PolarHBondContact NE-O 3.12Å; L805-I809 HydrophobicContact CD1-CD1 4.3Å; L805-I809 HydrophobicContact CD2-CD1 4.28Å; L805-I809 HydrophobicContact CG-CD1 3.79Å; L805-I809 HydrophobicContact CG-CG1 4.45Å; L805-I809 WeakPolarHBondContact O-CB 3.45Å; L805-I809 WeakPolarHBondContact O-CD1 3.05Å; L805-I809 VanDerWaalsContact O-CG1 3.22Å; L805-I809 WeakPolarHBondContact O-CG1 3.42Å; L805-I809 PolarHBondContact O-N 2.75Å; H807-I809 VanDerWaalsContact C-N 3.31Å; H807-I809 PolarHBondContact O-N 2.9Å; I809-L866 HydrophobicContact CD1-CD1 3.94Å; I809-L866 HydrophobicContact CD1-CD2 4.18Å
810L90.4Very high84.7Confident12 Ų1249.9 Ų49.96%0.06324%0.238CC..Hα-helixtrans-79.4-30-176.6-65167.7000113.1L753 L806 H807 L813 E814 P857 A862L753-L810 HydrophobicContact CD1-CD2 4Å; L806-L810 HydrophobicContact CD1-CD1 3.92Å; L806-L810 HydrophobicContact CD1-CG 4.46Å; L806-L810 HydrophobicContact CG-CD1 4.08Å; L806-L810 WeakPolarHBondContact O-CD1 3.47Å; L806-L810 WeakPolarHBondContact O-CG 3.49Å; L806-L810 PolarHBondContact O-N 3.22Å; H807-L810 PolarHBondContact O-N 3.33Å; H807-L810 VanDerWaalsContact O-N 3.07Å; L810-L813 CarbonylContact O-C 3.55Å; L810-L813 WeakPolarHBondContact O-CA 3.01Å; L810-L813 WeakPolarHBondContact O-CB 3.14Å; L810-L813 PolarHBondContact O-N 3.15Å; L810-E814 PolarHBondContact O-N 2.88Å; L810-P857 HydrophobicContact CB-CG 4.3Å; L810-P857 HydrophobicContact CD2-CB 3.78Å; L810-P857 HydrophobicContact CD2-CG 3.87Å; L810-A862 HydrophobicContact CD2-CB 4.15Å
811Q89.3Confident85.4Confident59 Ų5948 Ų4828%0.27623%0.229SC..Hα-helixtrans-51.5-45.5-172.2-172.4-152.2-107.300114.3H807 L813 E814 Q815H807-Q811 WeakPolarHBondContact O-CB 3.23Å; H807-Q811 PolarHBondContact O-N 2.91Å; Q811-L813 VanDerWaalsContact C-N 3.27Å; Q811-L813 PolarHBondContact O-N 3.42Å; Q811-E814 PolarHBondContact O-N 3.08Å; Q811-Q815 WeakPolarHBondContact O-CG 3.39Å; Q811-Q815 PolarHBondContact O-N 3.47Å
812P88.7Confident85.9Confident3 Ų350.2 Ų50.22%0.01924%0.243CC..Hα-helixtrans-63.4-31.5176-25.638.4000113.6F778 D808 F816F778-P812 HydrophobicContact CB-CB 4.4Å; D808-P812 WeakPolarHBondContact O-CD 3.34Å; P812-F816 PolarHBondContact O-N 3.35Å
813L90.7Very high86.1Confident0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-77.4-37.6177.7-58.9-177.8000111.4R750 L753 L754 L775 L810 Q811 F816 T817 F856 P857R750-L813 HydrophobicContact CB-CD1 4.32Å; R750-L813 HydrophobicContact CB-CD2 4.43Å; R750-L813 HydrophobicContact CB-CG 4.48Å; R750-L813 HydrophobicContact CG-CD1 4.38Å; R750-L813 HydrophobicContact CG-CG 4.41Å; L753-L813 HydrophobicContact CB-CD1 3.84Å; L753-L813 HydrophobicContact CD1-CD1 3.54Å; L753-L813 HydrophobicContact CG-CD1 4.35Å; L754-L813 HydrophobicContact CD1-CD2 3.76Å; L754-L813 HydrophobicContact CD2-CD2 4Å; L754-L813 HydrophobicContact CG-CD2 3.77Å; L775-L813 HydrophobicContact CD2-CD2 4.07Å; L810-L813 CarbonylContact O-C 3.55Å; L810-L813 WeakPolarHBondContact O-CA 3.01Å; L810-L813 WeakPolarHBondContact O-CB 3.14Å; L810-L813 PolarHBondContact O-N 3.15Å; Q811-L813 VanDerWaalsContact C-N 3.27Å; Q811-L813 PolarHBondContact O-N 3.42Å; L813-F816 PolarHBondContact O-N 2.77Å; L813-T817 PolarHBondContact O-N 3.36Å; L813-T817 PolarHBondContact O-OG1 2.97Å; L813-F856 HydrophobicContact CB-CE1 4.14Å; L813-F856 HydrophobicContact CB-CZ 4.24Å; L813-F856 HydrophobicContact CD1-CZ 4.1Å; L813-F856 HydrophobicContact CD2-CZ 4.29Å; L813-F856 HydrophobicContact CG-CZ 4.45Å; L813-P857 HydrophobicContact CB-CB 3.92Å; L813-P857 HydrophobicContact CB-CG 3.83Å; L813-P857 HydrophobicContact CD1-CB 4.06Å
814E90.9Very high86Confident78 Ų7849.9 Ų49.936%0.36423%0.229SC..Hα-helixtrans-61-43.2170.2-67.2176.8178.700111.4H807 L810 Q811 T817 H818 P857H807-E814 IonicContact CE1-OE2 3.63Å; L810-E814 PolarHBondContact O-N 2.88Å; Q811-E814 PolarHBondContact O-N 3.08Å; E814-T817 PolarHBondContact O-N 2.67Å; E814-H818 WeakPolarHBondContact O-CB 3.2Å; E814-H818 PolarHBondContact O-N 3.38Å; E814-P857 HydrophobicContact CG-CG 3.86Å
815Q89Confident85.8Confident76 Ų7647 Ų4736%0.35523%0.229SC..Hα-helixtrans-61.9-42.7174.1-72.1179.825.500112.3F778 Q811 H818 W819F778-Q815 HydrophobicContact CD1-CB 4.11Å; Q811-Q815 WeakPolarHBondContact O-CG 3.39Å; Q811-Q815 PolarHBondContact O-N 3.47Å; Q815-H818 PolarHBondContact O-N 3.17Å; Q815-W819 WeakPolarHBondContact O-CB 3.4Å; Q815-W819 PolarHBondContact O-N 2.78Å
816F90.3Very high85.2Confident0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-60.5-46.7173.1167.4-101.3000111.7I763 I774 F778 P812 L813 H818 W819 W820 W847 L850 P852 F856I763-F816 HydrophobicContact CD1-CE1 3.87Å; I774-F816 HydrophobicContact CD1-CE2 4.01Å; I774-F816 HydrophobicContact CD1-CZ 4.09Å; I774-F816 HydrophobicContact CG1-CE2 4.22Å; I774-F816 HydrophobicContact CG2-CB 4.35Å; I774-F816 HydrophobicContact CG2-CD2 3.65Å; I774-F816 HydrophobicContact CG2-CE2 4.06Å; I774-F816 HydrophobicContact CG2-CG 3.95Å; F778-F816 HydrophobicContact CD2-CB 4.11Å; F778-F816 HydrophobicContact CD2-CD2 4.19Å; F778-F816 HydrophobicContact CE2-CB 4.19Å; F778-F816 AromaticContact CE2-CD2 3.68Å; F778-F816 HydrophobicContact CE2-CD2 3.68Å; F778-F816 HydrophobicContact CE2-CG 4.43Å; F778-F816 HydrophobicContact CG-CB 4.28Å; F778-F816 HydrophobicContact CZ-CB 4.41Å; F778-F816 HydrophobicContact CZ-CD2 4.18Å; P812-F816 PolarHBondContact O-N 3.35Å; L813-F816 PolarHBondContact O-N 2.77Å; F816-H818 PolarHBondContact O-N 2.88Å; F816-W819 HydrophobicContact CD2-CE3 4.01Å; F816-W819 HydrophobicContact CD2-CZ3 4.21Å; F816-W819 HydrophobicContact CE2-CE3 4.14Å; F816-W819 AromaticContact CE2-CZ3 3.88Å; F816-W819 HydrophobicContact CE2-CZ3 3.88Å; F816-W819 PolarHBondContact O-N 3.45Å; F816-W820 WeakPolarHBondContact O-CB 3.41Å; F816-W820 PolarHBondContact O-N 3.16Å; F816-W847 HydrophobicContact CE2-CB 4.39Å; F816-W847 HydrophobicContact CE2-CE3 4.48Å; F816-L850 HydrophobicContact CZ-CD1 4.13Å; F816-P852 HydrophobicContact CE1-CG 4.16Å; F816-F856 HydrophobicContact CD1-CE1 4.15Å; F816-F856 HydrophobicContact CE1-CE1 4.48Å
817T87.9Confident84.1Confident13 Ų1354.1 Ų54.18%0.0826%0.263CS..Hα-helixtrans-59.6-46.2176.6-58.50000111.5L813 E814 W820 Q821 F856L813-T817 PolarHBondContact O-N 3.36Å; L813-T817 PolarHBondContact O-OG1 2.97Å; E814-T817 PolarHBondContact O-N 2.67Å; T817-W820 PolarHBondContact O-N 3.25Å; T817-Q821 HydrophobicContact CG2-CG 4.4Å; T817-Q821 WeakPolarHBondContact O-CB 3.49Å; T817-Q821 WeakPolarHBondContact O-CG 3.32Å; T817-Q821 PolarHBondContact O-N 2.69Å; T817-F856 WeakPolarHBondContact CG2-O 3.45Å; T817-F856 VanDerWaalsContact OG1-CD1 3.3Å; T817-F856 WeakPolarHBondContact OG1-CD1 3.09Å; T817-F856 PolarHBondContact OG1-O 2.78Å; T817-F856 VanDerWaalsContact OG1-O 3.06Å
818H87.9Confident82.7Confident122 Ų12252.4 Ų52.457%0.56526%0.262SS*.Hα-helixtrans-64.8-41.7179.5-176.870.9000112.3E814 Q815 F816 T822E814-H818 WeakPolarHBondContact O-CB 3.2Å; E814-H818 PolarHBondContact O-N 3.38Å; Q815-H818 PolarHBondContact O-N 3.17Å; F816-H818 PolarHBondContact O-N 2.88Å; H818-T822 VanDerWaalsContact O-CB 3.3Å; H818-T822 WeakPolarHBondContact O-CB 3.42Å; H818-T822 PolarHBondContact O-N 2.74Å; H818-T822 PolarHBondContact O-OG1 3.44Å
819W88.1Confident81.3Confident25 Ų2555.1 Ų55.110%0.09528%0.282CS..Hα-helixtrans-60.8-44.6172.3165.278.1000111.5F778 Q815 F816 T822 T823 E839 R844 W847 I848F778-W819 HydrophobicContact CE1-CB 3.93Å; F778-W819 HydrophobicContact CE1-CG 4.21Å; F778-W819 HydrophobicContact CE2-CE3 4.44Å; F778-W819 HydrophobicContact CZ-CB 3.99Å; F778-W819 AromaticContact CZ-CD2 3.84Å; F778-W819 HydrophobicContact CZ-CD2 3.84Å; F778-W819 AromaticContact CZ-CE3 3.87Å; F778-W819 HydrophobicContact CZ-CE3 3.87Å; F778-W819 AromaticContact CZ-CG 3.87Å; F778-W819 HydrophobicContact CZ-CG 3.87Å; Q815-W819 WeakPolarHBondContact O-CB 3.4Å; Q815-W819 PolarHBondContact O-N 2.78Å; F816-W819 HydrophobicContact CD2-CE3 4.01Å; F816-W819 HydrophobicContact CD2-CZ3 4.21Å; F816-W819 HydrophobicContact CE2-CE3 4.14Å; F816-W819 AromaticContact CE2-CZ3 3.88Å; F816-W819 HydrophobicContact CE2-CZ3 3.88Å; F816-W819 PolarHBondContact O-N 3.45Å; W819-T822 PolarHBondContact O-N 3.26Å; W819-T823 PolarHBondContact NE1-OG1 3.2Å; W819-T823 VanDerWaalsContact O-CB 3.31Å; W819-T823 WeakPolarHBondContact O-CB 3.16Å; W819-T823 PolarHBondContact O-N 2.6Å; W819-T823 PolarHBondContact O-OG1 2.98Å; W819-E839 PolarHBondContact NE1-OE2 3.12Å; W819-R844 HydrophobicContact CH2-CB 4.18Å; W819-R844 WeakPolarHBondContact CH2-O 3.15Å; W819-R844 HydrophobicContact CZ2-CB 3.72Å; W819-R844 HydrophobicContact CZ2-CG 4.18Å; W819-W847 HydrophobicContact CH2-CB 3.88Å; W819-W847 HydrophobicContact CH2-CE3 4.37Å; W819-W847 HydrophobicContact CZ3-CB 3.95Å; W819-W847 HydrophobicContact CZ3-CE3 4.29Å; W819-I848 HydrophobicContact CH2-CG1 4.4Å
820W87.3Confident79.5Confident25 Ų2563.9 Ų63.910%0.09532%0.323CS..Hα-helixtrans-64.2-47.3179.717985.8000111.9F816 T817 T822 T823 R824 I848 L850 P852F816-W820 WeakPolarHBondContact O-CB 3.41Å; F816-W820 PolarHBondContact O-N 3.16Å; T817-W820 PolarHBondContact O-N 3.25Å; W820-T822 PolarHBondContact O-N 3.16Å; W820-T823 PolarHBondContact O-N 3.19Å; W820-R824 VanDerWaalsContact CH2-NH1 3.3Å; W820-R824 WeakPolarHBondContact O-CB 3.49Å; W820-R824 PolarHBondContact O-N 3.31Å; W820-I848 PolarHBondContact NE1-O 3.1Å; W820-L850 VanDerWaalsContact CZ2-O 3.24Å; W820-L850 WeakPolarHBondContact CZ2-O 3.45Å; W820-L850 PolarHBondContact NE1-O 2.94Å; W820-P852 HydrophobicContact CD2-CG 3.96Å; W820-P852 VanDerWaalsContact CE2-CD 3.47Å; W820-P852 HydrophobicContact CE3-CG 4.04Å; W820-P852 HydrophobicContact CG-CG 4.27Å; W820-P852 HydrophobicContact CZ3-CG 4.39Å
821Q85.4Confident77.2Confident101 Ų10165.8 Ų65.847%0.47234%0.338SS..Hα-helixtrans-58.1-49.9175.3-73.1176.80.100111.3T817 T823 R824 S825T817-Q821 HydrophobicContact CG2-CG 4.4Å; T817-Q821 WeakPolarHBondContact O-CB 3.49Å; T817-Q821 WeakPolarHBondContact O-CG 3.32Å; T817-Q821 PolarHBondContact O-N 2.69Å; Q821-T823 VanDerWaalsContact C-N 3.33Å; Q821-T823 PolarHBondContact O-N 3.07Å; Q821-R824 PolarHBondContact O-N 2.8Å; Q821-R824 VanDerWaalsContact O-N 3.11Å; Q821-S825 PolarHBondContact O-N 2.93Å; Q821-S825 PolarHBondContact O-OG 2.73Å
822T84Confident74.9Confident52 Ų5270.5 Ų70.532%0.31936%0.361SS..Hα-helixtrans-59-44.4178.8-59.40000111.5H818 W819 W820 R824 S825 Q826H818-T822 VanDerWaalsContact O-CB 3.3Å; H818-T822 WeakPolarHBondContact O-CB 3.42Å; H818-T822 PolarHBondContact O-N 2.74Å; H818-T822 PolarHBondContact O-OG1 3.44Å; W819-T822 PolarHBondContact O-N 3.26Å; W820-T822 PolarHBondContact O-N 3.16Å; T822-R824 VanDerWaalsContact C-N 3.31Å; T822-R824 PolarHBondContact O-N 2.7Å; T822-S825 PolarHBondContact O-N 2.91Å; T822-Q826 WeakPolarHBondContact O-CG 3.4Å; T822-Q826 PolarHBondContact O-N 2.87Å
823T80Confident72.6Confident11 Ų1179.7 Ų79.77%0.06740%0.401CS..Hα-helixtrans-65.5-34.2177.8-560000111.6W819 W820 Q821 N827 I848W819-T823 PolarHBondContact NE1-OG1 3.2Å; W819-T823 VanDerWaalsContact O-CB 3.31Å; W819-T823 WeakPolarHBondContact O-CB 3.16Å; W819-T823 PolarHBondContact O-N 2.6Å; W819-T823 PolarHBondContact O-OG1 2.98Å; W820-T823 PolarHBondContact O-N 3.19Å; Q821-T823 VanDerWaalsContact C-N 3.33Å; Q821-T823 PolarHBondContact O-N 3.07Å; T823-N827 WeakPolarHBondContact O-CB 3.37Å; T823-N827 PolarHBondContact O-N 3.4Å; T823-N827 PolarHBondContact O-ND2 2.81Å; T823-I848 HydrophobicContact CG2-CD1 4.11Å; T823-I848 HydrophobicContact CG2-CG1 4.07Å
824R77.3Confident70.5Confident154 Ų15487 Ų8758%0.58144%0.438SS*.Hα-helixtrans-74.7-42177.1-171173.7177.1-168.3-3.5112.7W820 Q821 T822 Q826 N827W820-R824 VanDerWaalsContact CH2-NH1 3.3Å; W820-R824 WeakPolarHBondContact O-CB 3.49Å; W820-R824 PolarHBondContact O-N 3.31Å; Q821-R824 PolarHBondContact O-N 2.8Å; Q821-R824 VanDerWaalsContact O-N 3.11Å; T822-R824 VanDerWaalsContact C-N 3.31Å; T822-R824 PolarHBondContact O-N 2.7Å; R824-Q826 PolarHBondContact O-N 3.32Å; R824-N827 CarbonylContact O-C 3.56Å; R824-N827 PolarHBondContact O-N 3.16Å
825S75.8Confident68Low94 Ų9488.5 Ų88.566%0.65745%0.449SS*.Hα-helixtrans-59.5-36174.9-64.50000112.3Q821 T822 N827Q821-S825 PolarHBondContact O-N 2.93Å; Q821-S825 PolarHBondContact O-OG 2.73Å; T822-S825 PolarHBondContact O-N 2.91Å; S825-N827 VanDerWaalsContact C-N 3.34Å
826Q67.1Low66Low113 Ų11395.9 Ų95.953%0.52847%0.473SS..Hα-helixtrans-74.5-20.8175-66.9178.215.400113.6T822 R824 I837T822-Q826 WeakPolarHBondContact O-CG 3.4Å; T822-Q826 PolarHBondContact O-N 2.87Å; R824-Q826 PolarHBondContact O-N 3.32Å; Q826-I837 HydrophobicContact CB-CD1 3.38Å
827N61.1Low63.9Low57 Ų5798.6 Ų98.631%0.30549%0.487SS..THydrogen-bonded Turntrans-95.723.8178.5-76.9-42.6000113.4T823 R824 S825 I837T823-N827 WeakPolarHBondContact O-CB 3.37Å; T823-N827 PolarHBondContact O-N 3.4Å; T823-N827 PolarHBondContact O-ND2 2.81Å; R824-N827 CarbonylContact O-C 3.56Å; R824-N827 PolarHBondContact O-N 3.16Å; S825-N827 VanDerWaalsContact C-N 3.34Å; N827-I837 WeakPolarHBondContact OD1-CD1 3.33Å
828S56.2Low62.1Low63 Ų63102.3 Ų102.344%0.44152%0.519SS..  trans-60.2134.3-179.5-176.50000112.5Q830 S831S828-Q830 PolarHBondContact O-N 2.68Å; S828-S831 PolarHBondContact O-N 2.69Å; S828-S831 PolarHBondContact O-OG 3.34Å; S828-S831 VanDerWaalsContact O-OG 3.05Å
829P54.1Low60.6Low98 Ų9897.7 Ų97.764%0.63650%0.498SS*.G310 helixtrans-69.6-2.7-167.126.9-35.9000115.9S831 M832P829-S831 PolarHBondContact O-N 2.82Å; P829-S831 VanDerWaalsContact O-N 3.09Å; P829-M832 WeakPolarHBondContact O-CG 3.13Å
830Q47.9Very low59.3Low186 Ų186100.9 Ų100.987%0.86952%0.524SS*.G310 helixtrans-65.3-9.1171.8-130.674.41700113.5S828S828-Q830 PolarHBondContact O-N 2.68Å
831S42.7Very low58.5Low52 Ų52102.3 Ų102.336%0.36453%0.533SS..G310 helixtrans-108.538.5-177.864.30000113.8S828 P829 K833S828-S831 PolarHBondContact O-N 2.69Å; S828-S831 PolarHBondContact O-OG 3.34Å; S828-S831 VanDerWaalsContact O-OG 3.05Å; P829-S831 PolarHBondContact O-N 2.82Å; P829-S831 VanDerWaalsContact O-N 3.09Å; S831-K833 PolarHBondContact O-N 3.33Å
832M40.3Very low57.9Low157 Ų157101.7 Ų101.777%0.77354%0.538SS*.  trans-66.968.7178.9-78.1-84.5-8300114.1P829P829-M832 WeakPolarHBondContact O-CG 3.13Å
833K40Very low57.5Low196 Ų196100.8 Ų100.885%0.85253%0.531SS*.SBendtrans-175.296.1154.6-95.9139.8-166.6174.90110.1S831S831-K833 PolarHBondContact O-N 3.33Å
834I47.5Very low57.5Low153 Ų153102.5 Ų102.579%0.78554%0.536SS*.  trans6263.7169.8-37.5176000115
835L38.8Very low57.3Low111 Ų111101.5 Ų101.558%0.58153%0.532SS*.  trans-111.473.7151.8-77.1178.2000110.4I837L835-I837 VanDerWaalsContact C-N 3.27Å; L835-I837 PolarHBondContact O-N 3.07Å
836R46Very low57.4Low231 Ų231104.8 Ų104.887%0.87253%0.53SS*.  trans-68.894.3154.6-65.2-175.8-170.31793.4106.5A838R836-A838 PolarHBondContact O-N 3.29Å; R836-A838 VanDerWaalsContact O-N 3.11Å
837I47.2Very low58.1Low56 Ų5699.6 Ų99.629%0.28751%0.506SS..  trans-52.3125.2165.3-61.6178.1000106.4Q826 N827 L835 E839Q826-I837 HydrophobicContact CB-CD1 3.38Å; N827-I837 WeakPolarHBondContact OD1-CD1 3.33Å; L835-I837 VanDerWaalsContact C-N 3.27Å; L835-I837 PolarHBondContact O-N 3.07Å; I837-E839 PolarHBondContact O-N 3.04Å
838A49.9Very low58.8Low92 Ų9299.3 Ų99.376%0.7650%0.504SS*.  trans-76.156.8-179.400000110.3R836 S840R836-A838 PolarHBondContact O-N 3.29Å; R836-A838 VanDerWaalsContact O-N 3.11Å; A838-S840 PolarHBondContact O-N 3.03Å
839E56.2Low59.9Low25 Ų25103 Ų10312%0.11752%0.519CS..  trans-55.4104.8166178.351-86.500106.4W819 I837 N841 R844 R845W819-E839 PolarHBondContact NE1-OE2 3.12Å; I837-E839 PolarHBondContact O-N 3.04Å; E839-N841 PolarHBondContact O-N 3.21Å; E839-R844 HydrophobicContact CG-CB 3.6Å; E839-R844 WeakPolarHBondContact OE2-CD 3.5Å; E839-R845 HydrophobicContact CB-CG 4.07Å; E839-R845 HydrophobicContact CG-CG 4.08Å; E839-R845 VanDerWaalsContact O-CZ 3.25Å; E839-R845 PolarHBondContact O-NE 2.82Å; E839-R845 PolarHBondContact O-NH2 2.97Å
840S60.5Low61.4Low91 Ų9199 Ų9964%0.63649%0.492SS*.SBendtrans-67.8-31-164.664.90000110.7A838 P842A838-S840 PolarHBondContact O-N 3.03Å; S840-P842 WeakPolarHBondContact O-CD 3.17Å
841N69.9Low63Low56 Ų5697.1 Ų97.130%0.29948%0.481SS..  trans-84114179.7-72.5-14.4000110.3E777 E839 I843 R844E777-N841 PolarHBondContact OE1-ND2 3.31Å; E839-N841 PolarHBondContact O-N 3.21Å; N841-I843 PolarHBondContact O-N 2.98Å; N841-I843 VanDerWaalsContact O-N 3.08Å; N841-R844 HydrophobicContact CB-CB 4.23Å; N841-R844 HydrophobicContact CB-CG 3.99Å; N841-R844 PolarHBondContact O-N 2.82Å
842P73.2Confident65Low87 Ų8795.3 Ų95.357%0.56547%0.468SS*.THydrogen-bonded Turntrans-66.1-14.3-179.728.8-36.2000113S840S840-P842 WeakPolarHBondContact O-CD 3.17Å
843I75.7Confident67Low33 Ų3389.8 Ų89.817%0.16944%0.438CS..THydrogen-bonded Turntrans-73.6-54.2174.7-57.1173.9000109.6N841 R845 R846 W847N841-I843 PolarHBondContact O-N 2.98Å; N841-I843 VanDerWaalsContact O-N 3.08Å; I843-R845 PolarHBondContact O-N 3.34Å; I843-R845 VanDerWaalsContact O-N 3.14Å; I843-R846 WeakPolarHBondContact O-CB 3.48Å; I843-R846 PolarHBondContact O-N 3.45Å; I843-W847 HydrophobicContact CG2-CH2 3.74Å; I843-W847 HydrophobicContact CG2-CZ2 3.36Å
844R79.2Confident69Low48 Ų4886.7 Ų86.718%0.18144%0.438CS..G310 helixtrans-54.2-34.7-179.7-73.2-174-173.1-146.20.9113.4E777 W819 E839 N841 R846 W847E777-R844 HydrophobicContact CG-CG 4.47Å; E777-R844 IonicContact OE1-CZ 3.34Å; E777-R844 VanDerWaalsContact OE1-CZ 3.24Å; E777-R844 IonicContact OE1-NE 3.3Å; E777-R844 PolarHBondContact OE1-NE 2.9Å; E777-R844 IonicContact OE1-NH2 2.75Å; E777-R844 PolarHBondContact OE1-NH2 3.44Å; W819-R844 HydrophobicContact CH2-CB 4.18Å; W819-R844 WeakPolarHBondContact CH2-O 3.15Å; W819-R844 HydrophobicContact CZ2-CB 3.72Å; W819-R844 HydrophobicContact CZ2-CG 4.18Å; E839-R844 HydrophobicContact CG-CB 3.6Å; E839-R844 WeakPolarHBondContact OE2-CD 3.5Å; N841-R844 HydrophobicContact CB-CB 4.23Å; N841-R844 HydrophobicContact CB-CG 3.99Å; N841-R844 PolarHBondContact O-N 2.82Å; R844-R846 PolarHBondContact O-N 3.39Å; R844-R846 VanDerWaalsContact O-N 3.11Å; R844-W847 HydrophobicContact CB-CE3 4.32Å; R844-W847 HydrophobicContact CG-CE3 3.96Å; R844-W847 HydrophobicContact CG-CZ3 3.82Å; R844-W847 WeakPolarHBondContact O-CB 3.28Å; R844-W847 PolarHBondContact O-N 2.89Å
845R73.6Confident70.8Confident133 Ų13382.4 Ų82.450%0.50243%0.432SS..G310 helixtrans-55.5-28.4174.9-63.5-176.7-163.7160.86.9114.2E839 I843 W847E839-R845 HydrophobicContact CB-CG 4.07Å; E839-R845 HydrophobicContact CG-CG 4.08Å; E839-R845 VanDerWaalsContact O-CZ 3.25Å; E839-R845 PolarHBondContact O-NE 2.82Å; E839-R845 PolarHBondContact O-NH2 2.97Å; I843-R845 PolarHBondContact O-N 3.34Å; I843-R845 VanDerWaalsContact O-N 3.14Å; R845-W847 VanDerWaalsContact C-N 3.32Å
846R78.3Confident73.2Confident163 Ų16377.6 Ų77.662%0.61541%0.407SS*.G310 helixtrans-74-25.8176.9-61.2177.3172.3-179-7112.5I843 R844I843-R846 WeakPolarHBondContact O-CB 3.48Å; I843-R846 PolarHBondContact O-N 3.45Å; R844-R846 PolarHBondContact O-N 3.39Å; R844-R846 VanDerWaalsContact O-N 3.11Å
847W82.3Confident75.3Confident3 Ų367.4 Ų67.41%0.01137%0.371CS..THydrogen-bonded Turntrans-87.9-10.3-175.1-54.4-28.9000113.6E773 I774 E777 F778 F816 W819 I843 R844 R845 N849 L850E773-W847 HydrophobicContact CB-CZ2 3.8Å; E773-W847 WeakPolarHBondContact O-CH2 3.32Å; I774-W847 HydrophobicContact CB-CH2 4.38Å; I774-W847 HydrophobicContact CB-CZ2 4.35Å; I774-W847 HydrophobicContact CG1-CD2 3.81Å; I774-W847 HydrophobicContact CG1-CE3 4.15Å; I774-W847 HydrophobicContact CG1-CG 4.35Å; I774-W847 HydrophobicContact CG1-CH2 4.02Å; I774-W847 HydrophobicContact CG1-CZ2 3.64Å; I774-W847 HydrophobicContact CG1-CZ3 4.24Å; E777-W847 HydrophobicContact CB-CH2 3.81Å; E777-W847 HydrophobicContact CB-CZ3 4.07Å; E777-W847 HydrophobicContact CG-CH2 4.06Å; E777-W847 HydrophobicContact CG-CZ3 3.91Å; F778-W847 HydrophobicContact CD2-CZ3 4.47Å; F778-W847 HydrophobicContact CE2-CE3 4.27Å; F778-W847 AromaticContact CE2-CZ3 3.81Å; F778-W847 HydrophobicContact CE2-CZ3 3.81Å; F816-W847 HydrophobicContact CE2-CB 4.39Å; F816-W847 HydrophobicContact CE2-CE3 4.48Å; W819-W847 HydrophobicContact CH2-CB 3.88Å; W819-W847 HydrophobicContact CH2-CE3 4.37Å; W819-W847 HydrophobicContact CZ3-CB 3.95Å; W819-W847 HydrophobicContact CZ3-CE3 4.29Å; I843-W847 HydrophobicContact CG2-CH2 3.74Å; I843-W847 HydrophobicContact CG2-CZ2 3.36Å; R844-W847 HydrophobicContact CB-CE3 4.32Å; R844-W847 HydrophobicContact CG-CE3 3.96Å; R844-W847 HydrophobicContact CG-CZ3 3.82Å; R844-W847 WeakPolarHBondContact O-CB 3.28Å; R844-W847 PolarHBondContact O-N 2.89Å; R845-W847 VanDerWaalsContact C-N 3.32Å; W847-N849 PolarHBondContact O-N 2.95Å; W847-L850 HydrophobicContact CB-CD1 3.83Å; W847-L850 HydrophobicContact CB-CG 4.41Å; W847-L850 HydrophobicContact CG-CD1 4.11Å; W847-L850 WeakPolarHBondContact O-CB 3.47Å; W847-L850 WeakPolarHBondContact O-CG 3.29Å; W847-L850 PolarHBondContact O-N 3.45Å; W847-L850 VanDerWaalsContact O-N 3.13Å
848I75.4Confident77.3Confident52 Ų5266 Ų6627%0.26736%0.364SS..THydrogen-bonded Turntrans-59.3-34.7177-59.8176.9000111.1W819 W820 T823 L850W819-I848 HydrophobicContact CH2-CG1 4.4Å; W820-I848 PolarHBondContact NE1-O 3.1Å; T823-I848 HydrophobicContact CG2-CD1 4.11Å; T823-I848 HydrophobicContact CG2-CG1 4.07Å; I848-L850 VanDerWaalsContact C-N 3.34Å
849N80.1Confident79.1Confident141 Ų14162.6 Ų62.675%0.75434%0.338SS*.THydrogen-bonded Turntrans-81.2-10.2-179.3-68.23000114W847W847-N849 PolarHBondContact O-N 2.95Å
850L84.9Confident80.8Confident12 Ų1269.4 Ų69.46%0.06336%0.362CS..  trans-65.1150.9173.1-59.1176.7000109.1I763 D764 Q765 V766 I774 F816 W820 W847 I848I763-L850 HydrophobicContact CG2-CB 4.1Å; D764-L850 WeakPolarHBondContact O-CD2 3.47Å; Q765-L850 HydrophobicContact CB-CD2 4.3Å; V766-L850 HydrophobicContact CG2-CD1 3.62Å; V766-L850 HydrophobicContact CG2-CD2 3.59Å; V766-L850 HydrophobicContact CG2-CG 4.16Å; I774-L850 HydrophobicContact CD1-CD1 4.13Å; F816-L850 HydrophobicContact CZ-CD1 4.13Å; W820-L850 VanDerWaalsContact CZ2-O 3.24Å; W820-L850 WeakPolarHBondContact CZ2-O 3.45Å; W820-L850 PolarHBondContact NE1-O 2.94Å; W847-L850 HydrophobicContact CB-CD1 3.83Å; W847-L850 HydrophobicContact CB-CG 4.41Å; W847-L850 HydrophobicContact CG-CD1 4.11Å; W847-L850 WeakPolarHBondContact O-CB 3.47Å; W847-L850 WeakPolarHBondContact O-CG 3.29Å; W847-L850 PolarHBondContact O-N 3.45Å; W847-L850 VanDerWaalsContact O-N 3.13Å; I848-L850 VanDerWaalsContact C-N 3.34Å
851K81.8Confident82.3Confident148 Ų14865.3 Ų65.364%0.64333%0.333SS*.  trans-126.188.2177.6-66.2176.7-174.1170.40109.3Y853K851-Y853 PolarHBondContact O-N 3.04Å
852P83.4Confident83.3Confident14 Ų1462.7 Ų62.79%0.09132%0.319CS..PPolyproline II helixtrans-56.5135.6167.1-18.430.7000109.8I763 F816 W820 F856I763-P852 HydrophobicContact CD1-CB 4.22Å; I763-P852 HydrophobicContact CD1-CG 4.19Å; F816-P852 HydrophobicContact CE1-CG 4.16Å; W820-P852 HydrophobicContact CD2-CG 3.96Å; W820-P852 VanDerWaalsContact CE2-CD 3.47Å; W820-P852 HydrophobicContact CE3-CG 4.04Å; W820-P852 HydrophobicContact CG-CG 4.27Å; W820-P852 HydrophobicContact CZ3-CG 4.39Å; P852-F856 HydrophobicContact CB-CB 4.06Å; P852-F856 HydrophobicContact CB-CD1 4.07Å; P852-F856 HydrophobicContact CB-CG 4.24Å
853Y84Confident84.1Confident40 Ų4064.1 Ų64.116%0.15731%0.313CS..PPolyproline II helixtrans-67.2155.5175.262.9-99.3000110.9H761 K851 G855 F856 D858H761-Y853 AromaticContact CE1-CD1 3.36Å; H761-Y853 WeakPolarHBondContact CE1-CD1 3.5Å; H761-Y853 AromaticContact CE1-CE1 3.99Å; H761-Y853 AromaticContact CE1-CG 3.68Å; H761-Y853 AromaticContact NE2-CD1 3.47Å; H761-Y853 WeakPolarHBondContact NE2-CD1 3.49Å; H761-Y853 AromaticContact NE2-CG 3.93Å; K851-Y853 PolarHBondContact O-N 3.04Å; Y853-G855 PolarHBondContact O-N 3.47Å; Y853-F856 HydrophobicContact CD1-CB 4.31Å; Y853-F856 HydrophobicContact CD1-CD2 4.36Å; Y853-F856 HydrophobicContact CD2-CB 4.17Å; Y853-F856 HydrophobicContact CE1-CB 4.14Å; Y853-F856 AromaticContact CE1-CD2 3.62Å; Y853-F856 HydrophobicContact CE1-CD2 3.62Å; Y853-F856 HydrophobicContact CE1-CG 4.32Å; Y853-F856 HydrophobicContact CE2-CB 4Å; Y853-F856 HydrophobicContact CG-CB 4.32Å; Y853-F856 AromaticContact CZ-CD2 3.76Å; Y853-F856 WeakPolarHBondContact O-CB 3.39Å; Y853-F856 PolarHBondContact O-N 2.82Å; Y853-F856 VanDerWaalsContact O-N 3.1Å; Y853-D858 HydrophobicContact CE2-CB 4.49Å
854P82Confident84.9Confident131 Ų13163.6 Ų63.685%0.85131%0.314SS*.THydrogen-bonded Turntrans-60.5125.3-18024.6-34.5000111
855G83.5Confident85.5Confident64 Ų6461.4 Ų61.466%0.6631%0.306SS*.THydrogen-bonded Turntrans88.210.7-176.200000115.4Y853 P857Y853-G855 PolarHBondContact O-N 3.47Å; G855-P857 CarbonylContact O-C 3.26Å; G855-P857 VanDerWaalsContact O-C 3.26Å
856F89.8Confident86.3Confident9 Ų955.2 Ų55.24%0.03928%0.283CS..  trans-70.3134.8169.1178.6-91.3000111.8L753 L754 I763 L813 F816 T817 P852 Y853L753-F856 HydrophobicContact CB-CE2 4.28Å; L753-F856 WeakPolarHBondContact O-CE2 3.21Å; L754-F856 HydrophobicContact CD2-CE1 4.34Å; L754-F856 HydrophobicContact CD2-CZ 3.76Å; L754-F856 HydrophobicContact CG-CZ 4.38Å; I763-F856 HydrophobicContact CD1-CD1 4.21Å; I763-F856 HydrophobicContact CD1-CD2 4.48Å; I763-F856 HydrophobicContact CD1-CE1 3.93Å; I763-F856 HydrophobicContact CD1-CE2 4.18Å; I763-F856 HydrophobicContact CD1-CZ 3.91Å; I763-F856 HydrophobicContact CG1-CD2 4.46Å; I763-F856 HydrophobicContact CG1-CE2 4.31Å; L813-F856 HydrophobicContact CB-CE1 4.14Å; L813-F856 HydrophobicContact CB-CZ 4.24Å; L813-F856 HydrophobicContact CD1-CZ 4.1Å; L813-F856 HydrophobicContact CD2-CZ 4.29Å; L813-F856 HydrophobicContact CG-CZ 4.45Å; F816-F856 HydrophobicContact CD1-CE1 4.15Å; F816-F856 HydrophobicContact CE1-CE1 4.48Å; T817-F856 WeakPolarHBondContact CG2-O 3.45Å; T817-F856 VanDerWaalsContact OG1-CD1 3.3Å; T817-F856 WeakPolarHBondContact OG1-CD1 3.09Å; T817-F856 PolarHBondContact OG1-O 2.78Å; T817-F856 VanDerWaalsContact OG1-O 3.06Å; P852-F856 HydrophobicContact CB-CB 4.06Å; P852-F856 HydrophobicContact CB-CD1 4.07Å; P852-F856 HydrophobicContact CB-CG 4.24Å; Y853-F856 HydrophobicContact CD1-CB 4.31Å; Y853-F856 HydrophobicContact CD1-CD2 4.36Å; Y853-F856 HydrophobicContact CD2-CB 4.17Å; Y853-F856 HydrophobicContact CE1-CB 4.14Å; Y853-F856 AromaticContact CE1-CD2 3.62Å; Y853-F856 HydrophobicContact CE1-CD2 3.62Å; Y853-F856 HydrophobicContact CE1-CG 4.32Å; Y853-F856 HydrophobicContact CE2-CB 4Å; Y853-F856 HydrophobicContact CG-CB 4.32Å; Y853-F856 AromaticContact CZ-CD2 3.76Å; Y853-F856 WeakPolarHBondContact O-CB 3.39Å; Y853-F856 PolarHBondContact O-N 2.82Å; Y853-F856 VanDerWaalsContact O-N 3.1Å
857P89.6Confident86.8Confident18 Ų1849.6 Ų49.612%0.11726%0.262CS..SBendcis-81.5139.6-2.535.6-37.8000112.8L810 L813 E814 G855 G859L810-P857 HydrophobicContact CB-CG 4.3Å; L810-P857 HydrophobicContact CD2-CB 3.78Å; L810-P857 HydrophobicContact CD2-CG 3.87Å; L813-P857 HydrophobicContact CB-CB 3.92Å; L813-P857 HydrophobicContact CB-CG 3.83Å; L813-P857 HydrophobicContact CD1-CB 4.06Å; E814-P857 HydrophobicContact CG-CG 3.86Å; G855-P857 CarbonylContact O-C 3.26Å; G855-P857 VanDerWaalsContact O-C 3.26Å; P857-G859 PolarHBondContact O-N 3.24Å
858D89.1Confident87.1Confident26 Ų2650.9 Ų50.914%0.13927%0.271CS..  trans-82.5104.7177.3-172.6-14.5000111.1Y853 R860 I861Y853-D858 HydrophobicContact CE2-CB 4.49Å; D858-R860 PolarHBondContact O-N 3.41Å; D858-R860 VanDerWaalsContact O-N 3.15Å; D858-R860 WeakPolarHBondContact OD1-CB 3.37Å; D858-R860 VanDerWaalsContact OD1-CG 3.32Å; D858-R860 WeakPolarHBondContact OD1-CG 3.47Å; D858-R860 IonicContact OD1-CZ 3.87Å; D858-R860 PolarHBondContact OD1-N 3.27Å; D858-R860 IonicContact OD1-NE 3.21Å; D858-R860 PolarHBondContact OD1-NE 2.88Å; D858-R860 IonicContact OD1-NH2 3.6Å; D858-R860 IonicContact OD2-CZ 3.79Å; D858-R860 VanDerWaalsContact OD2-CZ 3.3Å; D858-R860 IonicContact OD2-NE 2.74Å; D858-R860 PolarHBondContact OD2-NE 2.87Å; D858-R860 VanDerWaalsContact OD2-NE 3.09Å; D858-R860 IonicContact OD2-NH2 3.68Å; D858-R860 PolarHBondContact OD2-NH2 3.08Å; D858-I861 HydrophobicContact CB-CD1 3.89Å; D858-I861 HydrophobicContact CB-CG1 3.94Å; D858-I861 WeakPolarHBondContact O-CB 3.4Å; D858-I861 PolarHBondContact O-N 2.99Å
859G89.3Confident87.9Confident21 Ų2152.5 Ų52.522%0.21628%0.28CS..Hα-helixtrans-60.5-20.5179.500000114.9P857 I861 R863P857-G859 PolarHBondContact O-N 3.24Å; G859-I861 PolarHBondContact O-N 3.2Å; G859-R863 WeakPolarHBondContact O-CB 3.41Å; G859-R863 PolarHBondContact O-N 2.88Å
860R90.7Very high88.5Confident168 Ų16847.2 Ų47.263%0.63425%0.252SS*.Hα-helixtrans-64.3-29.7174.6-59.7175.3-66.4-1782.8111.8D858 A864D858-R860 PolarHBondContact O-N 3.41Å; D858-R860 VanDerWaalsContact O-N 3.15Å; D858-R860 WeakPolarHBondContact OD1-CB 3.37Å; D858-R860 VanDerWaalsContact OD1-CG 3.32Å; D858-R860 WeakPolarHBondContact OD1-CG 3.47Å; D858-R860 IonicContact OD1-CZ 3.87Å; D858-R860 PolarHBondContact OD1-N 3.27Å; D858-R860 IonicContact OD1-NE 3.21Å; D858-R860 PolarHBondContact OD1-NE 2.88Å; D858-R860 IonicContact OD1-NH2 3.6Å; D858-R860 IonicContact OD2-CZ 3.79Å; D858-R860 VanDerWaalsContact OD2-CZ 3.3Å; D858-R860 IonicContact OD2-NE 2.74Å; D858-R860 PolarHBondContact OD2-NE 2.87Å; D858-R860 VanDerWaalsContact OD2-NE 3.09Å; D858-R860 IonicContact OD2-NH2 3.68Å; D858-R860 PolarHBondContact OD2-NH2 3.08Å; R860-A864 PolarHBondContact O-N 2.96Å
861I91.7Very high88.8Confident5 Ų551 Ų513%0.02627%0.268CS..Hα-helixtrans-78.9-44.4-176.5-54.3-172.1000110.4L80 L753 Y759 T760 D858 G859 R863 A864 Y865L80-I861 HydrophobicContact CD1-CG1 4.21Å; L753-I861 HydrophobicContact CD2-CB 3.85Å; L753-I861 HydrophobicContact CD2-CG2 3.72Å; Y759-I861 HydrophobicContact CD2-CG2 4.18Å; Y759-I861 HydrophobicContact CG-CG2 4.44Å; T760-I861 HydrophobicContact CG2-CD1 4.25Å; T760-I861 HydrophobicContact CG2-CG2 4.36Å; D858-I861 HydrophobicContact CB-CD1 3.89Å; D858-I861 HydrophobicContact CB-CG1 3.94Å; D858-I861 WeakPolarHBondContact O-CB 3.4Å; D858-I861 PolarHBondContact O-N 2.99Å; G859-I861 PolarHBondContact O-N 3.2Å; I861-R863 VanDerWaalsContact C-N 3.28Å; I861-R863 PolarHBondContact O-N 3.18Å; I861-A864 PolarHBondContact O-N 3.38Å; I861-Y865 HydrophobicContact CG2-CD2 4.31Å; I861-Y865 HydrophobicContact CG2-CE2 4.05Å; I861-Y865 WeakPolarHBondContact O-CD2 3.47Å; I861-Y865 PolarHBondContact O-N 3.01Å
862A91Very high88.9Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-60.7-39.4169.400000111.3L749 L753 L806 L810 A864 Y865 L866L749-A862 HydrophobicContact CD2-CB 4.18Å; L753-A862 HydrophobicContact CD1-CB 4.45Å; L806-A862 HydrophobicContact CD1-CB 3.43Å; L806-A862 VanDerWaalsContact CD1-CB 3.43Å; L810-A862 HydrophobicContact CD2-CB 4.15Å; A862-A864 PolarHBondContact O-N 3.27Å; A862-Y865 PolarHBondContact O-N 3.39Å; A862-L866 WeakPolarHBondContact O-CB 3.36Å; A862-L866 VanDerWaalsContact O-CG 3.27Å; A862-L866 WeakPolarHBondContact O-CG 3.4Å; A862-L866 PolarHBondContact O-N 3.46Å
863R91Very high88.9Confident117 Ų11753.1 Ų53.144%0.44229%0.288SS..Hα-helixtrans-61-42.1172.7-162.4-179.9-173.3114.46.2112.2E803 L806 G859 I861 Y865 L866 Y867E803-R863 IonicContact OE1-CZ 3.09Å; E803-R863 IonicContact OE1-NH1 3.87Å; E803-R863 PolarHBondContact OE1-NH1 2.78Å; E803-R863 IonicContact OE1-NH2 3.02Å; E803-R863 PolarHBondContact OE1-NH2 3.42Å; L806-R863 HydrophobicContact CD2-CB 4.39Å; G859-R863 WeakPolarHBondContact O-CB 3.41Å; G859-R863 PolarHBondContact O-N 2.88Å; I861-R863 VanDerWaalsContact C-N 3.28Å; I861-R863 PolarHBondContact O-N 3.18Å; R863-Y865 VanDerWaalsContact C-N 3.35Å; R863-Y865 PolarHBondContact O-N 2.68Å; R863-L866 PolarHBondContact O-N 3.14Å; R863-Y867 HydrophobicContact CB-CD2 4.35Å; R863-Y867 HydrophobicContact CG-CD2 3.52Å; R863-Y867 HydrophobicContact CG-CE2 3.97Å; R863-Y867 HydrophobicContact CG-CG 4.41Å; R863-Y867 WeakPolarHBondContact O-CD2 3.2Å; R863-Y867 PolarHBondContact O-N 3.49Å
864A91.6Very high89.2Confident23 Ų2353.1 Ų53.119%0.1929%0.291CS..Hα-helixtrans-62.3-37178.600000113.7L80 Y759 R860 I861 A862L80-A864 HydrophobicContact CD1-CB 3.78Å; Y759-A864 HydrophobicContact CD2-CB 3.99Å; Y759-A864 HydrophobicContact CE2-CB 3.68Å; R860-A864 PolarHBondContact O-N 2.96Å; I861-A864 PolarHBondContact O-N 3.38Å; A862-A864 PolarHBondContact O-N 3.27Å
865Y92.6Very high89.5Confident1 Ų151.4 Ų51.40%0.00428%0.279CS..Hα-helixtrans-76.9-31.5175.3-73-67.4000113.9D701 P704 F705 L749 T752 S757 Y759 I861 A862 R863D701-Y865 HydrophobicContact CB-CE1 4.4Å; D701-Y865 PolarHBondContact OD2-OH 3.29Å; P704-Y865 HydrophobicContact CB-CD1 3.7Å; P704-Y865 HydrophobicContact CB-CD2 4.24Å; P704-Y865 HydrophobicContact CB-CE1 3.93Å; P704-Y865 HydrophobicContact CB-CE2 4.41Å; P704-Y865 HydrophobicContact CB-CG 3.88Å; P704-Y865 HydrophobicContact CG-CD1 3.84Å; P704-Y865 HydrophobicContact CG-CE1 3.57Å; P704-Y865 HydrophobicContact CG-CG 4.45Å; F705-Y865 AromaticContact CD1-CD1 3.75Å; F705-Y865 HydrophobicContact CD1-CD1 3.75Å; F705-Y865 HydrophobicContact CD2-CD1 4.19Å; F705-Y865 HydrophobicContact CD2-CE1 4.31Å; F705-Y865 AromaticContact CE1-CD1 3.52Å; F705-Y865 HydrophobicContact CE1-CD1 3.52Å; F705-Y865 HydrophobicContact CE1-CE1 4.16Å; F705-Y865 HydrophobicContact CE1-CG 4.39Å; F705-Y865 AromaticContact CE2-CD1 3.97Å; F705-Y865 HydrophobicContact CE2-CD1 3.97Å; F705-Y865 AromaticContact CE2-CE1 3.85Å; F705-Y865 HydrophobicContact CE2-CE1 3.85Å; F705-Y865 HydrophobicContact CG-CD1 4.06Å; F705-Y865 AromaticContact CZ-CD1 3.63Å; F705-Y865 HydrophobicContact CZ-CD1 3.63Å; F705-Y865 AromaticContact CZ-CE1 3.77Å; F705-Y865 HydrophobicContact CZ-CE1 3.77Å; L749-Y865 HydrophobicContact CD1-CD2 3.48Å; L749-Y865 VanDerWaalsContact CD1-CD2 3.48Å; L749-Y865 HydrophobicContact CD1-CE2 4.28Å; L749-Y865 HydrophobicContact CD1-CG 3.93Å; T752-Y865 HydrophobicContact CG2-CD2 4.49Å; T752-Y865 HydrophobicContact CG2-CE2 3.68Å; S757-Y865 WeakPolarHBondContact CB-OH 3.48Å; S757-Y865 PolarHBondContact OG-OH 3.41Å; Y759-Y865 HydrophobicContact CD2-CD1 4.49Å; Y759-Y865 AromaticContact CD2-CD2 3.91Å; Y759-Y865 HydrophobicContact CD2-CD2 3.91Å; Y759-Y865 HydrophobicContact CD2-CE1 4.03Å; Y759-Y865 AromaticContact CD2-CE2 3.4Å; Y759-Y865 HydrophobicContact CD2-CE2 3.4Å; Y759-Y865 HydrophobicContact CD2-CG 4.43Å; Y759-Y865 AromaticContact CD2-CZ 3.45Å; Y759-Y865 VanDerWaalsContact CD2-CZ 3.45Å; Y759-Y865 HydrophobicContact CE2-CD1 4.06Å; Y759-Y865 HydrophobicContact CE2-CD2 4.19Å; Y759-Y865 AromaticContact CE2-CE1 3.77Å; Y759-Y865 HydrophobicContact CE2-CE1 3.77Å; Y759-Y865 AromaticContact CE2-CE2 3.94Å; Y759-Y865 HydrophobicContact CE2-CE2 3.94Å; Y759-Y865 HydrophobicContact CE2-CG 4.26Å; Y759-Y865 AromaticContact CE2-CZ 3.71Å; Y759-Y865 HydrophobicContact CG-CE2 4.34Å; I861-Y865 HydrophobicContact CG2-CD2 4.31Å; I861-Y865 HydrophobicContact CG2-CE2 4.05Å; I861-Y865 WeakPolarHBondContact O-CD2 3.47Å; I861-Y865 PolarHBondContact O-N 3.01Å; A862-Y865 PolarHBondContact O-N 3.39Å; R863-Y865 VanDerWaalsContact C-N 3.35Å; R863-Y865 PolarHBondContact O-N 2.68Å
866L89.4Confident89.9Confident3 Ų353.4 Ų53.42%0.01628%0.281CS..Hα-helixtrans-81.6-33.9179.4-68.7173.5000113.3L749 W793 P801 L805 L806 I809 A862 R863 P868L749-L866 HydrophobicContact CD2-CD2 4.26Å; L749-L866 HydrophobicContact CD2-CG 4.12Å; W793-L866 HydrophobicContact CH2-CD2 3.59Å; W793-L866 HydrophobicContact CZ2-CD2 4.09Å; W793-L866 WeakPolarHBondContact CZ2-O 3.43Å; W793-L866 HydrophobicContact CZ3-CD2 3.93Å; P801-L866 HydrophobicContact CG-CB 4.26Å; P801-L866 HydrophobicContact CG-CD2 4.47Å; L805-L866 HydrophobicContact CD2-CD2 4.48Å; L806-L866 HydrophobicContact CB-CD1 4.39Å; L806-L866 HydrophobicContact CD1-CD1 4.17Å; I809-L866 HydrophobicContact CD1-CD1 3.94Å; I809-L866 HydrophobicContact CD1-CD2 4.18Å; A862-L866 WeakPolarHBondContact O-CB 3.36Å; A862-L866 VanDerWaalsContact O-CG 3.27Å; A862-L866 WeakPolarHBondContact O-CG 3.4Å; A862-L866 PolarHBondContact O-N 3.46Å; R863-L866 PolarHBondContact O-N 3.14Å; L866-P868 VanDerWaalsContact C-CD 3.41Å; L866-P868 WeakPolarHBondContact O-CD 3.48Å
867Y88.9Confident90Very high45 Ų4554.5 Ų54.518%0.17629%0.286CS..SBendtrans-127.463.4-177.1-45.8-99.1000110.2E800 P801 R863E800-Y867 HydrophobicContact CB-CD1 4.03Å; E800-Y867 HydrophobicContact CB-CE1 3.94Å; E800-Y867 HydrophobicContact CG-CD1 4.05Å; E800-Y867 HydrophobicContact CG-CE1 4.45Å; P801-Y867 HydrophobicContact CG-CE1 3.95Å; P801-Y867 HydrophobicContact CG-CE2 4.42Å; P801-Y867 WeakPolarHBondContact O-CE1 3.48Å; P801-Y867 PolarHBondContact O-OH 3.41Å; R863-Y867 HydrophobicContact CB-CD2 4.35Å; R863-Y867 HydrophobicContact CG-CD2 3.52Å; R863-Y867 HydrophobicContact CG-CE2 3.97Å; R863-Y867 HydrophobicContact CG-CG 4.41Å; R863-Y867 WeakPolarHBondContact O-CD2 3.2Å; R863-Y867 PolarHBondContact O-N 3.49Å
868P90.4Very high90.1Very high31 Ų3161.8 Ų61.820%0.20132%0.318CS..  trans-71.8145.2179.431.3-35.8000111.6A681 F705 L866 V870A681-P868 HydrophobicContact CB-CB 3.93Å; A681-P868 HydrophobicContact CB-CG 4.49Å; F705-P868 HydrophobicContact CD1-CB 4.3Å; F705-P868 HydrophobicContact CD1-CG 4.33Å; F705-P868 HydrophobicContact CE1-CB 3.94Å; F705-P868 HydrophobicContact CE1-CG 4.46Å; L866-P868 VanDerWaalsContact C-CD 3.41Å; L866-P868 WeakPolarHBondContact O-CD 3.48Å; P868-V870 HydrophobicContact CB-CG1 4.1Å; P868-V870 HydrophobicContact CG-CG1 4.22Å; P868-V870 PolarHBondContact O-N 2.93Å; P868-V870 VanDerWaalsContact O-N 3.1Å
869N91.5Very high90.2Very high86 Ų8663.1 Ų63.146%0.4632%0.321SS..  trans-77.394.5176.5-177.89.1000110.7E677E677-N869 VanDerWaalsContact CD-CB 3.45Å; E677-N869 HydrophobicContact CG-CB 4.16Å; E677-N869 WeakPolarHBondContact OE1-CB 3.32Å; E677-N869 PolarHBondContact OE1-ND2 2.88Å
870V92.3Very high90.2Very high29 Ų2967.9 Ų67.918%0.17634%0.338CS..  trans-131.3157.4-173.9-640000111.7A681 Q682 A685 P868 T872A681-V870 HydrophobicContact CB-CG1 3.98Å; Q682-V870 HydrophobicContact CB-CG1 4.34Å; A685-V870 HydrophobicContact CB-CB 4.06Å; A685-V870 HydrophobicContact CB-CG1 4.28Å; A685-V870 HydrophobicContact CB-CG2 3.73Å; P868-V870 HydrophobicContact CB-CG1 4.1Å; P868-V870 HydrophobicContact CG-CG1 4.22Å; P868-V870 PolarHBondContact O-N 2.93Å; P868-V870 VanDerWaalsContact O-N 3.1Å; V870-T872 PolarHBondContact O-N 3.4Å
871K91.1Very high90.1Very high92 Ų9265 Ų6540%0.434%0.341SS..  trans-81111170.9-67.5167.2-179.2169.70109.3V674 P676 Q682 L874V674-K871 PolarHBondContact O-NZ 3.4Å; P676-K871 HydrophobicContact CG-CG 3.94Å; Q682-K871 PolarHBondContact NE2-O 3.37Å; K871-L874 HydrophobicContact CB-CD1 3.94Å; K871-L874 HydrophobicContact CB-CD2 4.28Å; K871-L874 HydrophobicContact CB-CG 4.01Å
872T83.6Confident89.9Confident54 Ų5465.3 Ų65.333%0.33134%0.343SS..  trans-81.5-45.7172.552.50000111.3V870 L874V870-T872 PolarHBondContact O-N 3.4Å; T872-L874 PolarHBondContact O-N 3Å
873D84.2Confident89.9Confident153 Ų15368.8 Ų68.882%0.81836%0.362SS*.  trans-83.556.5-167.2-56.8-10.8000112.5
874L89.5Confident89.7Confident40 Ų4064.5 Ų64.521%0.20935%0.349CS..PPolyproline II helixtrans-99.4133.1178.6-68.6170.9000111V673 L686 L691 K871 T872 F877V673-L874 HydrophobicContact CG1-CD1 3.96Å; V673-L874 HydrophobicContact CG2-CD1 4.18Å; L686-L874 HydrophobicContact CD2-CD1 3.67Å; L691-L874 HydrophobicContact CD1-CB 4.05Å; K871-L874 HydrophobicContact CB-CD1 3.94Å; K871-L874 HydrophobicContact CB-CD2 4.28Å; K871-L874 HydrophobicContact CB-CG 4.01Å; T872-L874 PolarHBondContact O-N 3Å; L874-F877 HydrophobicContact CD1-CZ 4.48Å
875P89.4Confident89.6Confident94 Ų9468.1 Ų68.161%0.6137%0.37SS*.PPolyproline II helixtrans-67158.9174.630.1-35.3000110.9F877P875-F877 PolarHBondContact O-N 3.25Å
876P90.8Very high89.5Confident107 Ų10772.2 Ų72.270%0.69539%0.392SS*.PPolyproline II helixtrans-52133.9169.1-25.435.1000111.4
877F92.6Very high89.5Confident31 Ų3172 Ų7214%0.13639%0.391CS..PPolyproline II helixtrans-73137.6-177.5-60.4-69.6000111.9V70 P671 V673 L686 L691 V692 L874 P875 W879V70-F877 HydrophobicContact CB-CD2 4.47Å; V70-F877 HydrophobicContact CG1-CD1 4.14Å; V70-F877 HydrophobicContact CG1-CD2 4.07Å; V70-F877 HydrophobicContact CG1-CE1 3.89Å; V70-F877 HydrophobicContact CG1-CE2 3.8Å; V70-F877 HydrophobicContact CG1-CG 4.23Å; V70-F877 HydrophobicContact CG1-CZ 3.72Å; V70-F877 HydrophobicContact CG2-CB 4.23Å; V70-F877 HydrophobicContact CG2-CD2 3.59Å; V70-F877 HydrophobicContact CG2-CE2 4.06Å; V70-F877 HydrophobicContact CG2-CG 3.85Å; P671-F877 HydrophobicContact CB-CB 4.37Å; P671-F877 HydrophobicContact CB-CD1 4Å; P671-F877 HydrophobicContact CG-CB 4.08Å; P671-F877 HydrophobicContact CG-CD1 4.44Å; P671-F877 HydrophobicContact CG-CG 4.5Å; V673-F877 HydrophobicContact CG2-CE1 3.57Å; V673-F877 HydrophobicContact CG2-CZ 3.75Å; L686-F877 HydrophobicContact CD1-CE2 4.25Å; L686-F877 HydrophobicContact CD1-CZ 4.15Å; L686-F877 HydrophobicContact CD2-CE2 3.88Å; L686-F877 HydrophobicContact CD2-CZ 3.76Å; L691-F877 HydrophobicContact CB-CD2 4.43Å; L691-F877 HydrophobicContact CB-CE2 4.01Å; L691-F877 HydrophobicContact CD1-CE2 4.33Å; V692-F877 HydrophobicContact CG2-CE2 4.44Å; L874-F877 HydrophobicContact CD1-CZ 4.48Å; P875-F877 PolarHBondContact O-N 3.25Å; F877-W879 HydrophobicContact CB-CH2 3.88Å; F877-W879 HydrophobicContact CB-CZ2 4.04Å; F877-W879 HydrophobicContact CB-CZ3 4.39Å; F877-W879 WeakPolarHBondContact O-CZ3 3.35Å
878E90.7Very high89.6Confident172 Ų17270.4 Ų70.480%0.80439%0.385SS*.  trans-110.2150.6171.1-61.9-170.9166.500109.8
879W92.2Very high89.6Confident54 Ų5475.7 Ų75.721%0.20541%0.405CS..  trans-121.2116.6-179.5-68.2-88.4000109.7I26 K68 P69 V70 P671 F877I26-W879 HydrophobicContact CB-CH2 4.49Å; I26-W879 HydrophobicContact CD1-CH2 3.82Å; I26-W879 HydrophobicContact CD1-CZ3 4.45Å; I26-W879 HydrophobicContact CG1-CH2 3.77Å; I26-W879 HydrophobicContact CG1-CZ2 4.33Å; I26-W879 HydrophobicContact CG2-CH2 3.93Å; I26-W879 HydrophobicContact CG2-CZ2 3.91Å; K68-W879 HydrophobicContact CB-CD2 4.27Å; K68-W879 HydrophobicContact CB-CH2 4.23Å; K68-W879 HydrophobicContact CB-CZ2 3.73Å; K68-W879 HydrophobicContact CD-CD2 4.31Å; K68-W879 HydrophobicContact CD-CE3 4.02Å; K68-W879 HydrophobicContact CD-CH2 4.18Å; K68-W879 HydrophobicContact CD-CZ2 4.44Å; K68-W879 HydrophobicContact CD-CZ3 3.95Å; K68-W879 HydrophobicContact CG-CD2 4.32Å; P69-W879 PolarHBondContact O-NE1 3.48Å; V70-W879 HydrophobicContact CG2-CZ2 3.86Å; P671-W879 HydrophobicContact CG-CZ2 4.41Å; F877-W879 HydrophobicContact CB-CH2 3.88Å; F877-W879 HydrophobicContact CB-CZ2 4.04Å; F877-W879 HydrophobicContact CB-CZ3 4.39Å; F877-W879 WeakPolarHBondContact O-CZ3 3.35Å
880E90.1Very high89.4Confident120 Ų12073.6 Ų73.656%0.56139%0.392SS*.PPolyproline II helixtrans-81.6157177.4-65.9-174166.400111.1G669G669-E880 PolarHBondContact O-N 3.33Å
881P86.9Confident89.2Confident107 Ų10772.3 Ų72.370%0.69539%0.385SS*.PPolyproline II helixtrans-69.7139.9167.129.6-33.7000110.3
882P88.7Confident89Confident12 Ų1271.4 Ų71.48%0.07838%0.384CS..PPolyproline II helixtrans-65.5137.5-178.327.4-36000111.8L63 L667 F668 V884 L910L63-P882 HydrophobicContact CD2-CG 4.35Å; L667-P882 WeakPolarHBondContact O-CA 3.33Å; F668-P882 HydrophobicContact CD1-CB 4.27Å; F668-P882 WeakPolarHBondContact O-CB 3.39Å; P882-V884 PolarHBondContact O-N 3.1Å; P882-L910 HydrophobicContact CG-CD1 4.19Å; P882-L910 HydrophobicContact CG-CD2 3.66Å; P882-L910 HydrophobicContact CG-CG 4.36Å
883N90.6Very high89.2Confident74 Ų7473.7 Ų73.740%0.39640%0.398SS..  trans-80.881.8-179.2-169-39000110.5L667 P885 L886 L887L667-N883 PolarHBondContact O-N 2.92Å; N883-P885 WeakPolarHBondContact OD1-CD 3.23Å; N883-L886 HydrophobicContact CB-CB 4.4Å; N883-L886 WeakPolarHBondContact ND2-CD1 3.27Å; N883-L886 PolarHBondContact O-N 3.32Å; N883-L886 WeakPolarHBondContact OD1-CG 3.32Å; N883-L886 PolarHBondContact OD1-N 2.97Å; N883-L887 VanDerWaalsContact O-CB 3.26Å; N883-L887 WeakPolarHBondContact O-CB 3.42Å; N883-L887 PolarHBondContact O-N 3.29Å
884V87.7Confident89.2Confident27 Ų2767.9 Ų67.916%0.16437%0.367CS..Hα-helixtrans-51.4-47.6-174.4-177.60000113.3P882 L886 L887 V888 E903 L906 L910P882-V884 PolarHBondContact O-N 3.1Å; V884-L886 PolarHBondContact O-N 3.07Å; V884-L887 PolarHBondContact O-N 3.16Å; V884-V888 HydrophobicContact CG1-CG2 4.16Å; V884-V888 WeakPolarHBondContact O-CB 3.05Å; V884-V888 VanDerWaalsContact O-CG2 3.28Å; V884-V888 WeakPolarHBondContact O-CG2 3.09Å; V884-V888 PolarHBondContact O-N 3.16Å; V884-E903 HydrophobicContact CG1-CG 4.32Å; V884-L906 HydrophobicContact CG1-CB 4.36Å; V884-L906 HydrophobicContact CG1-CD1 4.14Å; V884-L910 HydrophobicContact CG2-CD1 3.5Å
885P89.2Confident88.9Confident99 Ų9967.8 Ų67.864%0.64337%0.367SS*.Hα-helixtrans-62.3-43.1-179.8-24.435.4000113.9N883 K889N883-P885 WeakPolarHBondContact OD1-CD 3.23Å; P885-K889 WeakPolarHBondContact O-CB 3.44Å; P885-K889 PolarHBondContact O-N 3.39Å; P885-K889 VanDerWaalsContact O-N 3.13Å
886L90.1Very high88.5Confident86 Ų8666.2 Ų66.245%0.4537%0.368SS..Hα-helixtrans-70.8-39.2177.6-68-174.5000111.7L667 N883 V884 K889 H890L667-L886 HydrophobicContact CD2-CB 3.54Å; L667-L886 HydrophobicContact CD2-CD1 4.28Å; N883-L886 HydrophobicContact CB-CB 4.4Å; N883-L886 WeakPolarHBondContact ND2-CD1 3.27Å; N883-L886 PolarHBondContact O-N 3.32Å; N883-L886 WeakPolarHBondContact OD1-CG 3.32Å; N883-L886 PolarHBondContact OD1-N 2.97Å; V884-L886 PolarHBondContact O-N 3.07Å; L886-K889 PolarHBondContact O-N 3.24Å; L886-H890 VanDerWaalsContact O-CB 3.24Å; L886-H890 WeakPolarHBondContact O-CB 3.25Å; L886-H890 PolarHBondContact O-N 3.29Å
887L90.1Very high88.3Confident0 Ų064.2 Ų64.20%035%0.346CS..Hα-helixtrans-61.1-45.8177.2-177.256.8000111.6F56 L664 L667 F668 N883 V884 H890 L891 L906F56-L887 HydrophobicContact CE2-CD1 4.45Å; F56-L887 HydrophobicContact CE2-CD2 4.31Å; F56-L887 HydrophobicContact CE2-CG 4.46Å; L664-L887 HydrophobicContact CD1-CD1 3.49Å; L664-L887 VanDerWaalsContact CD1-CD1 3.49Å; L667-L887 HydrophobicContact CB-CB 4.5Å; L667-L887 HydrophobicContact CB-CD1 4.14Å; L667-L887 HydrophobicContact CD1-CD1 4.45Å; F668-L887 HydrophobicContact CD1-CD2 4.49Å; F668-L887 HydrophobicContact CD2-CD1 4.18Å; F668-L887 HydrophobicContact CD2-CD2 4.16Å; F668-L887 HydrophobicContact CE1-CD2 4.2Å; F668-L887 HydrophobicContact CE2-CD1 3.91Å; F668-L887 HydrophobicContact CE2-CD2 3.86Å; F668-L887 HydrophobicContact CG-CD2 4.48Å; F668-L887 HydrophobicContact CZ-CD2 3.89Å; N883-L887 VanDerWaalsContact O-CB 3.26Å; N883-L887 WeakPolarHBondContact O-CB 3.42Å; N883-L887 PolarHBondContact O-N 3.29Å; V884-L887 PolarHBondContact O-N 3.16Å; L887-H890 PolarHBondContact O-N 3.05Å; L887-L891 HydrophobicContact CD1-CD1 3.84Å; L887-L891 HydrophobicContact CD1-CG 4.22Å; L887-L891 HydrophobicContact CG-CD1 3.91Å; L887-L891 WeakPolarHBondContact O-CB 3.36Å; L887-L891 WeakPolarHBondContact O-CD1 3.48Å; L887-L891 VanDerWaalsContact O-CG 3.24Å; L887-L891 WeakPolarHBondContact O-CG 3.49Å; L887-L891 PolarHBondContact O-N 3.06Å; L887-L906 HydrophobicContact CD2-CD1 3.73Å; L887-L906 HydrophobicContact CD2-CD2 3.77Å; L887-L906 HydrophobicContact CD2-CG 4.43Å; L887-L906 HydrophobicContact CG-CD1 4.04Å
888V90Very high88Confident10 Ų1066.4 Ų66.46%0.06136%0.359CS..Hα-helixtrans-62.7-44.2175.6170.90000111.5V884 H890 N892 T899 T902 E903 L906V884-V888 HydrophobicContact CG1-CG2 4.16Å; V884-V888 WeakPolarHBondContact O-CB 3.05Å; V884-V888 VanDerWaalsContact O-CG2 3.28Å; V884-V888 WeakPolarHBondContact O-CG2 3.09Å; V884-V888 PolarHBondContact O-N 3.16Å; V888-H890 PolarHBondContact O-N 3.46Å; V888-N892 WeakPolarHBondContact O-CB 3.43Å; V888-N892 PolarHBondContact O-N 3.24Å; V888-T899 HydrophobicContact CG1-CG2 3.7Å; V888-T902 HydrophobicContact CG2-CG2 4.08Å; V888-E903 HydrophobicContact CG2-CB 4.16Å; V888-L906 HydrophobicContact CG2-CD1 3.94Å
889K90.1Very high87.8Confident143 Ų14360.9 Ų60.962%0.62234%0.338SS*.Hα-helixtrans-61.9-43175.9-177.1-179.2177.7-1770112.2P885 L886 T893P885-K889 WeakPolarHBondContact O-CB 3.44Å; P885-K889 PolarHBondContact O-N 3.39Å; P885-K889 VanDerWaalsContact O-N 3.13Å; L886-K889 PolarHBondContact O-N 3.24Å; K889-T893 WeakPolarHBondContact O-CB 3.49Å; K889-T893 PolarHBondContact O-N 3.46Å; K889-T893 PolarHBondContact O-OG1 3.35Å
890H87.8Confident87.6Confident41 Ų4165.1 Ų65.119%0.1936%0.359CS..Hα-helixtrans-66.7-44.9-179.8-175.189.6000111.5L667 L886 L887 V888 T893 L894L667-H890 HydrophobicContact CD1-CB 3.69Å; L886-H890 VanDerWaalsContact O-CB 3.24Å; L886-H890 WeakPolarHBondContact O-CB 3.25Å; L886-H890 PolarHBondContact O-N 3.29Å; L887-H890 PolarHBondContact O-N 3.05Å; V888-H890 PolarHBondContact O-N 3.46Å; H890-T893 PolarHBondContact O-N 3.09Å; H890-L894 WeakPolarHBondContact NE2-CD1 3.33Å; H890-L894 WeakPolarHBondContact O-CB 3.44Å; H890-L894 WeakPolarHBondContact O-CG 3.47Å; H890-L894 PolarHBondContact O-N 2.63Å
891L87.6Confident87.2Confident3 Ų365.7 Ų65.72%0.01636%0.36CS..Hα-helixtrans-66.6-38.2177.7-68.6164.5000113F56 L664 L887 L895 G896 T902F56-L891 HydrophobicContact CD2-CD1 3.66Å; F56-L891 HydrophobicContact CD2-CD2 4.03Å; F56-L891 HydrophobicContact CD2-CG 4.49Å; F56-L891 HydrophobicContact CE2-CD1 3.33Å; F56-L891 HydrophobicContact CG-CD2 4.46Å; F56-L891 HydrophobicContact CZ-CD1 3.98Å; L664-L891 HydrophobicContact CD1-CD2 4.39Å; L887-L891 HydrophobicContact CD1-CD1 3.84Å; L887-L891 HydrophobicContact CD1-CG 4.22Å; L887-L891 HydrophobicContact CG-CD1 3.91Å; L887-L891 WeakPolarHBondContact O-CB 3.36Å; L887-L891 WeakPolarHBondContact O-CD1 3.48Å; L887-L891 VanDerWaalsContact O-CG 3.24Å; L887-L891 WeakPolarHBondContact O-CG 3.49Å; L887-L891 PolarHBondContact O-N 3.06Å; L891-L895 HydrophobicContact CD2-CD1 3.92Å; L891-L895 WeakPolarHBondContact O-CA 3.37Å; L891-L895 WeakPolarHBondContact O-CB 3.39Å; L891-L895 PolarHBondContact O-N 3.08Å; L891-G896 PolarHBondContact O-N 2.93Å; L891-T902 HydrophobicContact CB-CG2 4.5Å; L891-T902 HydrophobicContact CD1-CG2 3.65Å
892N87.6Confident87Confident72 Ų7261 Ų6139%0.38533%0.329SS..Hα-helixtrans-59.5-49.8169.7-176.3-18.9000110.4V888 L894 G896 W897 T899V888-N892 WeakPolarHBondContact O-CB 3.43Å; V888-N892 PolarHBondContact O-N 3.24Å; N892-L894 PolarHBondContact O-N 3.39Å; N892-G896 WeakPolarHBondContact O-CA 3.49Å; N892-G896 PolarHBondContact O-N 2.91Å; N892-W897 WeakPolarHBondContact CB-O 3.48Å; N892-T899 HydrophobicContact CB-CG2 4.24Å; N892-T899 VanDerWaalsContact ND2-CG2 3.34Å; N892-T899 WeakPolarHBondContact ND2-CG2 3.33Å
893T87.1Confident87Confident103 Ų10365.8 Ų65.863%0.63235%0.351SS*.Hα-helixtrans-64-37.7-178.5-52.20000113.5K889 H890K889-T893 WeakPolarHBondContact O-CB 3.49Å; K889-T893 PolarHBondContact O-N 3.46Å; K889-T893 PolarHBondContact O-OG1 3.35Å; H890-T893 PolarHBondContact O-N 3.09Å
894L84Confident86.9Confident30 Ų3064.8 Ų64.816%0.15735%0.353CS..Hα-helixtrans-89.7-35.4-175.7-66.1-167000114.5R49 L52 H890 N892R49-L894 VanDerWaalsContact CD-O 3.3Å; R49-L894 WeakPolarHBondContact CD-O 3.47Å; R49-L894 PolarHBondContact NH1-O 2.91Å; L52-L894 HydrophobicContact CD1-CB 4.49Å; L52-L894 HydrophobicContact CD1-CD1 3.67Å; H890-L894 WeakPolarHBondContact NE2-CD1 3.33Å; H890-L894 WeakPolarHBondContact O-CB 3.44Å; H890-L894 WeakPolarHBondContact O-CG 3.47Å; H890-L894 PolarHBondContact O-N 2.63Å; N892-L894 PolarHBondContact O-N 3.39Å
895L83.2Confident86.7Confident39 Ų3964.5 Ų64.520%0.20435%0.35CS..Hα-helixtrans-121.2-5.6-170.6-58.8175.8000114R49 L52 L891 W897R49-L895 HydrophobicContact CB-CD2 3.81Å; L52-L895 HydrophobicContact CB-CD1 4.41Å; L52-L895 HydrophobicContact CB-CD2 4.37Å; L891-L895 HydrophobicContact CD2-CD1 3.92Å; L891-L895 WeakPolarHBondContact O-CA 3.37Å; L891-L895 WeakPolarHBondContact O-CB 3.39Å; L891-L895 PolarHBondContact O-N 3.08Å; L895-W897 VanDerWaalsContact C-N 3.3Å; L895-W897 HydrophobicContact CB-CD2 4.41Å; L895-W897 HydrophobicContact CB-CG 4.08Å; L895-W897 HydrophobicContact CD1-CD2 4.26Å; L895-W897 HydrophobicContact CD1-CH2 4.35Å; L895-W897 HydrophobicContact CD1-CZ2 3.83Å; L895-W897 PolarHBondContact O-N 2.88Å
896G82.1Confident86.6Confident61 Ų6159.8 Ų59.863%0.62932%0.32SS*.  trans71.519.8-178.100000114.4L891 N892L891-G896 PolarHBondContact O-N 2.93Å; N892-G896 WeakPolarHBondContact O-CA 3.49Å; N892-G896 PolarHBondContact O-N 2.91Å
897W84.9Confident86.4Confident64 Ų6458.1 Ų58.124%0.24232%0.318CS..  trans-73.6140.4-175.6-72.311.3000112.7T53 F56 N892 L895 T899 T902T53-W897 HydrophobicContact CG2-CH2 4.13Å; T53-W897 HydrophobicContact CG2-CZ2 3.68Å; T53-W897 WeakPolarHBondContact OG1-CZ2 3.36Å; F56-W897 AromaticContact CD1-CH2 3.83Å; F56-W897 HydrophobicContact CD1-CH2 3.83Å; F56-W897 AromaticContact CD1-CZ3 3.63Å; F56-W897 HydrophobicContact CD1-CZ3 3.63Å; F56-W897 HydrophobicContact CE1-CH2 4.31Å; F56-W897 AromaticContact CE1-CZ3 3.7Å; F56-W897 HydrophobicContact CE1-CZ3 3.7Å; F56-W897 HydrophobicContact CG-CH2 4.42Å; F56-W897 HydrophobicContact CG-CZ3 4.25Å; F56-W897 HydrophobicContact CZ-CZ3 4.37Å; N892-W897 WeakPolarHBondContact CB-O 3.48Å; L895-W897 VanDerWaalsContact C-N 3.3Å; L895-W897 HydrophobicContact CB-CD2 4.41Å; L895-W897 HydrophobicContact CB-CG 4.08Å; L895-W897 HydrophobicContact CD1-CD2 4.26Å; L895-W897 HydrophobicContact CD1-CH2 4.35Å; L895-W897 HydrophobicContact CD1-CZ2 3.83Å; L895-W897 PolarHBondContact O-N 2.88Å; W897-T899 PolarHBondContact O-N 2.83Å; W897-T902 HydrophobicContact CE3-CG2 4.38Å
898N86.8Confident86.2Confident78 Ų7861 Ų6142%0.41734%0.339SS..  trans-61.9130.3173.8178-40.8000110E900 K901 T902N898-E900 WeakPolarHBondContact OD1-CB 3.49Å; N898-E900 PolarHBondContact OD1-N 2.97Å; N898-K901 HydrophobicContact CB-CB 4.37Å; N898-K901 HydrophobicContact CB-CD 4.41Å; N898-K901 HydrophobicContact CB-CG 4.3Å; N898-K901 PolarHBondContact OD1-N 3.24Å; N898-T902 WeakPolarHBondContact O-CB 3.1Å; N898-T902 PolarHBondContact O-N 3.44Å; N898-T902 VanDerWaalsContact O-N 3.12Å; N898-T902 PolarHBondContact O-OG1 2.77Å
899T87.9Confident85.9Confident56 Ų5660.8 Ų60.834%0.34434%0.337SS..Hα-helixtrans-62.5-46.9-176.250.10000112.7V888 N892 W897 K901 T902 E903V888-T899 HydrophobicContact CG1-CG2 3.7Å; N892-T899 HydrophobicContact CB-CG2 4.24Å; N892-T899 VanDerWaalsContact ND2-CG2 3.34Å; N892-T899 WeakPolarHBondContact ND2-CG2 3.33Å; W897-T899 PolarHBondContact O-N 2.83Å; T899-K901 PolarHBondContact O-N 2.99Å; T899-T902 PolarHBondContact O-N 3.17Å; T899-E903 WeakPolarHBondContact O-CB 3.38Å; T899-E903 PolarHBondContact O-N 3.46Å
900E86.5Confident85.6Confident142 Ų14256.2 Ų56.266%0.66432%0.319SS*.Hα-helixtrans-63.4-44.7-177.5-57.8175.6167.200111.4N898 T902 E903 A904N898-E900 WeakPolarHBondContact OD1-CB 3.49Å; N898-E900 PolarHBondContact OD1-N 2.97Å; E900-T902 VanDerWaalsContact C-N 3.34Å; E900-T902 PolarHBondContact O-N 2.79Å; E900-E903 PolarHBondContact O-N 3.5Å; E900-A904 VanDerWaalsContact O-CB 3.31Å; E900-A904 WeakPolarHBondContact O-CB 3.04Å; E900-A904 PolarHBondContact O-N 3.35Å
901K81.9Confident85.4Confident133 Ų13361 Ų6158%0.57834%0.34SS*.Hα-helixtrans-64.4-39.9177.5-66.3-170.5178.8-1750111.6N898 T899 L905N898-K901 HydrophobicContact CB-CB 4.37Å; N898-K901 HydrophobicContact CB-CD 4.41Å; N898-K901 HydrophobicContact CB-CG 4.3Å; N898-K901 PolarHBondContact OD1-N 3.24Å; T899-K901 PolarHBondContact O-N 2.99Å; K901-L905 WeakPolarHBondContact O-CB 3.4Å; K901-L905 PolarHBondContact O-N 3.01Å; K901-L905 VanDerWaalsContact O-N 3.14Å
902T84.1Confident84.8Confident8 Ų864.1 Ų64.15%0.04935%0.351CS..Hα-helixtrans-69.4-42.7179.6-53.40000111.1V888 L891 W897 N898 T899 E900 L905 L906V888-T902 HydrophobicContact CG2-CG2 4.08Å; L891-T902 HydrophobicContact CB-CG2 4.5Å; L891-T902 HydrophobicContact CD1-CG2 3.65Å; W897-T902 HydrophobicContact CE3-CG2 4.38Å; N898-T902 WeakPolarHBondContact O-CB 3.1Å; N898-T902 PolarHBondContact O-N 3.44Å; N898-T902 VanDerWaalsContact O-N 3.12Å; N898-T902 PolarHBondContact O-OG1 2.77Å; T899-T902 PolarHBondContact O-N 3.17Å; E900-T902 VanDerWaalsContact C-N 3.34Å; E900-T902 PolarHBondContact O-N 2.79Å; T902-L905 PolarHBondContact O-N 3.26Å; T902-L906 HydrophobicContact CG2-CD1 4.12Å; T902-L906 WeakPolarHBondContact O-CG 3.37Å; T902-L906 PolarHBondContact O-N 3.06Å
903E88.5Confident84.3Confident112 Ų11262.7 Ų62.752%0.52334%0.341SS..Hα-helixtrans-64.2-44.7175.8-173.2172.8-172.700111.8V884 V888 T899 E900 L905 L906 A907V884-E903 HydrophobicContact CG1-CG 4.32Å; V888-E903 HydrophobicContact CG2-CB 4.16Å; T899-E903 WeakPolarHBondContact O-CB 3.38Å; T899-E903 PolarHBondContact O-N 3.46Å; E900-E903 PolarHBondContact O-N 3.5Å; E903-L905 VanDerWaalsContact C-N 3.31Å; E903-L905 PolarHBondContact O-N 2.96Å; E903-L906 PolarHBondContact O-N 3.31Å; E903-A907 VanDerWaalsContact O-CB 3.24Å; E903-A907 WeakPolarHBondContact O-CB 3.34Å; E903-A907 PolarHBondContact O-N 3.17Å
904A86.6Confident83.9Confident54 Ų5463.2 Ų63.245%0.44634%0.336SS..Hα-helixtrans-61.1-37.5176.600000112.9E900 S908E900-A904 VanDerWaalsContact O-CB 3.31Å; E900-A904 WeakPolarHBondContact O-CB 3.04Å; E900-A904 PolarHBondContact O-N 3.35Å; A904-S908 WeakPolarHBondContact O-CB 3.32Å; A904-S908 PolarHBondContact O-N 3.04Å; A904-S908 PolarHBondContact O-OG 3.36Å
905L85.5Confident83.5Confident20 Ų2065.2 Ų65.211%0.10535%0.347CS..Hα-helixtrans-66.9-49.5175.1-169.2153.9000111.1F56 K901 T902 E903 A907 S908 V909 F934 F935F56-L905 HydrophobicContact CE1-CD2 4.11Å; F56-L905 HydrophobicContact CZ-CD2 4.33Å; K901-L905 WeakPolarHBondContact O-CB 3.4Å; K901-L905 PolarHBondContact O-N 3.01Å; K901-L905 VanDerWaalsContact O-N 3.14Å; T902-L905 PolarHBondContact O-N 3.26Å; E903-L905 VanDerWaalsContact C-N 3.31Å; E903-L905 PolarHBondContact O-N 2.96Å; L905-A907 PolarHBondContact O-N 3.39Å; L905-S908 WeakPolarHBondContact O-CB 3.22Å; L905-S908 PolarHBondContact O-N 3.24Å; L905-V909 HydrophobicContact CD2-CG2 4.22Å; L905-V909 WeakPolarHBondContact O-CG2 3.38Å; L905-V909 PolarHBondContact O-N 2.99Å; L905-F934 HydrophobicContact CB-CE1 4.48Å; L905-F934 HydrophobicContact CD1-CD1 3.99Å; L905-F934 HydrophobicContact CD1-CE1 4.11Å; L905-F934 HydrophobicContact CG-CD1 4.32Å; L905-F934 HydrophobicContact CG-CE1 4.23Å; L905-F935 HydrophobicContact CD1-CE1 3.65Å; L905-F935 HydrophobicContact CD1-CZ 3.58Å; L905-F935 HydrophobicContact CD2-CZ 4.2Å; L905-F935 HydrophobicContact CG-CZ 4.44Å
906L86.8Confident82.9Confident0 Ų066.3 Ų66.30%036%0.355CS..Hα-helixtrans-61.7-43.1177.8-72.7168.4000112F56 F668 V884 L887 V888 T902 E903 S908 V909 L910F56-L906 HydrophobicContact CE2-CD2 4Å; F56-L906 HydrophobicContact CZ-CD2 3.85Å; F56-L906 HydrophobicContact CZ-CG 4.2Å; F668-L906 HydrophobicContact CE1-CD2 4.44Å; F668-L906 HydrophobicContact CZ-CD2 4.45Å; V884-L906 HydrophobicContact CG1-CB 4.36Å; V884-L906 HydrophobicContact CG1-CD1 4.14Å; L887-L906 HydrophobicContact CD2-CD1 3.73Å; L887-L906 HydrophobicContact CD2-CD2 3.77Å; L887-L906 HydrophobicContact CD2-CG 4.43Å; L887-L906 HydrophobicContact CG-CD1 4.04Å; V888-L906 HydrophobicContact CG2-CD1 3.94Å; T902-L906 HydrophobicContact CG2-CD1 4.12Å; T902-L906 WeakPolarHBondContact O-CG 3.37Å; T902-L906 PolarHBondContact O-N 3.06Å; E903-L906 PolarHBondContact O-N 3.31Å; L906-S908 VanDerWaalsContact C-N 3.3Å; L906-S908 PolarHBondContact O-N 3.37Å; L906-V909 PolarHBondContact O-N 2.79Å; L906-L910 WeakPolarHBondContact O-CB 3.35Å; L906-L910 WeakPolarHBondContact O-CG 3.44Å; L906-L910 PolarHBondContact O-N 3.02Å
907A85.7Confident82.3Confident51 Ų5169.2 Ų69.242%0.42135%0.352SS..Hα-helixtrans-60.8-38.1175.100000112E903 L905 K911E903-A907 VanDerWaalsContact O-CB 3.24Å; E903-A907 WeakPolarHBondContact O-CB 3.34Å; E903-A907 PolarHBondContact O-N 3.17Å; L905-A907 PolarHBondContact O-N 3.39Å; A907-K911 WeakPolarHBondContact O-CB 3.18Å; A907-K911 PolarHBondContact O-N 3.17Å
908S85Confident81.7Confident62 Ų6271.8 Ų71.843%0.43437%0.37SS..Hα-helixtrans-66.6-43.1176.1-61.50000112.2A904 L905 L906 R912A904-S908 WeakPolarHBondContact O-CB 3.32Å; A904-S908 PolarHBondContact O-N 3.04Å; A904-S908 PolarHBondContact O-OG 3.36Å; L905-S908 WeakPolarHBondContact O-CB 3.22Å; L905-S908 PolarHBondContact O-N 3.24Å; L906-S908 VanDerWaalsContact C-N 3.3Å; L906-S908 PolarHBondContact O-N 3.37Å; S908-R912 PolarHBondContact O-N 2.96Å
909V83.1Confident80.5Confident4 Ų470.8 Ų70.82%0.02438%0.378CS..Hα-helixtrans-65.6-46.1175.9176.30000111C60 L63 F64 L905 L906 R912 R913 I931C60-V909 HydrophobicContact CB-CG2 4.4Å; L63-V909 HydrophobicContact CB-CG1 3.99Å; L63-V909 HydrophobicContact CD2-CG1 3.73Å; L63-V909 HydrophobicContact CG-CG1 3.88Å; F64-V909 HydrophobicContact CB-CG1 4.15Å; L905-V909 HydrophobicContact CD2-CG2 4.22Å; L905-V909 WeakPolarHBondContact O-CG2 3.38Å; L905-V909 PolarHBondContact O-N 2.99Å; L906-V909 PolarHBondContact O-N 2.79Å; V909-R912 PolarHBondContact O-N 3.34Å; V909-R913 PolarHBondContact O-N 3.38Å; V909-I931 HydrophobicContact CG2-CD1 3.71Å
910L84.8Confident78.9Confident47 Ų4773 Ų7325%0.24639%0.387CS..Hα-helixtrans-65.2-43.5179.6-77.2172.6000113L63 P882 V884 L906 R912 R913 Q914L63-L910 HydrophobicContact CD2-CD2 4.24Å; P882-L910 HydrophobicContact CG-CD1 4.19Å; P882-L910 HydrophobicContact CG-CD2 3.66Å; P882-L910 HydrophobicContact CG-CG 4.36Å; V884-L910 HydrophobicContact CG2-CD1 3.5Å; L906-L910 WeakPolarHBondContact O-CB 3.35Å; L906-L910 WeakPolarHBondContact O-CG 3.44Å; L906-L910 PolarHBondContact O-N 3.02Å; L910-R912 PolarHBondContact O-N 3.05Å; L910-R913 PolarHBondContact O-N 3.34Å; L910-R913 VanDerWaalsContact O-N 3.17Å; L910-Q914 WeakPolarHBondContact O-CB 3.43Å; L910-Q914 PolarHBondContact O-N 2.98Å
911K83Confident77.2Confident142 Ų14270.2 Ų70.262%0.61738%0.382SS*.Hα-helixtrans-58.6-36.4174-175.8176.1-178.1177.60111.5A907 N915A907-K911 WeakPolarHBondContact O-CB 3.18Å; A907-K911 PolarHBondContact O-N 3.17Å; K911-N915 PolarHBondContact O-N 3.11Å; K911-N915 PolarHBondContact O-ND2 3.27Å; K911-N915 VanDerWaalsContact O-ND2 3.14Å
912R75.7Confident75.3Confident68 Ų6875.5 Ų75.526%0.25740%0.398SS..Hα-helixtrans-72.4-43.5174.2-165.5179.6-178.686.13.9112.3S908 V909 L910 Q914 N915 V916 G923S908-R912 PolarHBondContact O-N 2.96Å; V909-R912 PolarHBondContact O-N 3.34Å; L910-R912 PolarHBondContact O-N 3.05Å; R912-Q914 VanDerWaalsContact C-N 3.3Å; R912-Q914 PolarHBondContact O-N 2.94Å; R912-N915 WeakPolarHBondContact O-CB 3.4Å; R912-N915 PolarHBondContact O-N 2.77Å; R912-N915 VanDerWaalsContact O-N 3.08Å; R912-V916 WeakPolarHBondContact O-CG2 3.38Å; R912-V916 PolarHBondContact O-N 3.3Å; R912-G923 PolarHBondContact NH2-O 2.9Å
913R77.2Confident73.5Confident43 Ų4376.8 Ų76.816%0.16241%0.413CS..Hα-helixtrans-54.1-48.1173.7174.4173.1169.8-174.3-7.1111L63 V909 L910 N915 V916 E917L63-R913 VanDerWaalsContact CD1-CD 3.46Å; L63-R913 VanDerWaalsContact CD1-NH1 3.34Å; V909-R913 PolarHBondContact O-N 3.38Å; L910-R913 PolarHBondContact O-N 3.34Å; L910-R913 VanDerWaalsContact O-N 3.17Å; R913-N915 VanDerWaalsContact C-N 3.3Å; R913-N915 PolarHBondContact O-N 3.43Å; R913-V916 WeakPolarHBondContact O-CB 3.37Å; R913-V916 PolarHBondContact O-N 3.26Å; R913-E917 HydrophobicContact CG-CG 4.37Å; R913-E917 IonicContact CZ-OE1 2.75Å; R913-E917 VanDerWaalsContact CZ-OE1 3.26Å; R913-E917 IonicContact NE-OE1 3.78Å; R913-E917 PolarHBondContact NE-OE1 3.21Å; R913-E917 IonicContact NH2-OE1 2.78Å; R913-E917 PolarHBondContact NH2-OE1 2.94Å; R913-E917 WeakPolarHBondContact O-CG 3.46Å; R913-E917 PolarHBondContact O-N 3.33Å
914Q77.5Confident71.5Confident113 Ų11376.8 Ų76.853%0.52842%0.416SS..Hα-helixtrans-59.2-39.2176.7-167.9-178.615.100112.2L910 R912 V916 E917 L918L910-Q914 WeakPolarHBondContact O-CB 3.43Å; L910-Q914 PolarHBondContact O-N 2.98Å; R912-Q914 VanDerWaalsContact C-N 3.3Å; R912-Q914 PolarHBondContact O-N 2.94Å; Q914-V916 VanDerWaalsContact C-N 3.34Å; Q914-V916 PolarHBondContact O-N 2.84Å; Q914-E917 PolarHBondContact O-N 2.78Å; Q914-L918 HydrophobicContact CG-CD1 3.95Å; Q914-L918 HydrophobicContact CG-CG 4.44Å; Q914-L918 VanDerWaalsContact O-CB 3.27Å; Q914-L918 WeakPolarHBondContact O-CB 3.3Å; Q914-L918 WeakPolarHBondContact O-CG 3.47Å; Q914-L918 PolarHBondContact O-N 3.11Å
915N76.7Confident69.3Low73 Ų7382.2 Ų82.239%0.3944%0.436SS..Hα-helixtrans-67.1-31.9175.2-68.8-27.6000113.5K911 R912 R913 N920K911-N915 PolarHBondContact O-N 3.11Å; K911-N915 PolarHBondContact O-ND2 3.27Å; K911-N915 VanDerWaalsContact O-ND2 3.14Å; R912-N915 WeakPolarHBondContact O-CB 3.4Å; R912-N915 PolarHBondContact O-N 2.77Å; R912-N915 VanDerWaalsContact O-N 3.08Å; R913-N915 VanDerWaalsContact C-N 3.3Å; R913-N915 PolarHBondContact O-N 3.43Å; N915-N920 PolarHBondContact O-N 2.79Å
916V71Confident67.2Low62 Ų6284.2 Ų84.238%0.37645%0.452SS..Hα-helixtrans-72.2-46.8174.7174.30000110.2R912 R913 Q914 L918 G919R912-V916 WeakPolarHBondContact O-CG2 3.38Å; R912-V916 PolarHBondContact O-N 3.3Å; R913-V916 WeakPolarHBondContact O-CB 3.37Å; R913-V916 PolarHBondContact O-N 3.26Å; Q914-V916 VanDerWaalsContact C-N 3.34Å; Q914-V916 PolarHBondContact O-N 2.84Å; V916-L918 VanDerWaalsContact C-N 3.34Å; V916-L918 PolarHBondContact O-N 3.14Å; V916-G919 PolarHBondContact O-N 3.08Å; V916-G919 VanDerWaalsContact O-N 3.1Å
917E68.6Low65.2Low122 Ų12288.6 Ų88.657%0.5748%0.482SS*.Hα-helixtrans-62.8-36.4176.9-71.2174.8168.400112.6R913 Q914 G919R913-E917 HydrophobicContact CG-CG 4.37Å; R913-E917 IonicContact CZ-OE1 2.75Å; R913-E917 VanDerWaalsContact CZ-OE1 3.26Å; R913-E917 IonicContact NE-OE1 3.78Å; R913-E917 PolarHBondContact NE-OE1 3.21Å; R913-E917 IonicContact NH2-OE1 2.78Å; R913-E917 PolarHBondContact NH2-OE1 2.94Å; R913-E917 WeakPolarHBondContact O-CG 3.46Å; R913-E917 PolarHBondContact O-N 3.33Å; Q914-E917 PolarHBondContact O-N 2.78Å; E917-G919 PolarHBondContact O-N 3.08Å
918L72Confident63Low118 Ų11893.3 Ų93.362%0.61849%0.493SS*.THydrogen-bonded Turntrans-74.95.7174.8-71.5171.9000114.3Q914 V916 N920Q914-L918 HydrophobicContact CG-CD1 3.95Å; Q914-L918 HydrophobicContact CG-CG 4.44Å; Q914-L918 VanDerWaalsContact O-CB 3.27Å; Q914-L918 WeakPolarHBondContact O-CB 3.3Å; Q914-L918 WeakPolarHBondContact O-CG 3.47Å; Q914-L918 PolarHBondContact O-N 3.11Å; V916-L918 VanDerWaalsContact C-N 3.34Å; V916-L918 PolarHBondContact O-N 3.14Å; L918-N920 PolarHBondContact O-N 2.93Å
919G62.3Low60.9Low56 Ų5694 Ų9458%0.57750%0.498SS*.THydrogen-bonded Turntrans63.640.7172.700000113.9V916 E917 P921V916-G919 PolarHBondContact O-N 3.08Å; V916-G919 VanDerWaalsContact O-N 3.1Å; E917-G919 PolarHBondContact O-N 3.08Å; G919-P921 WeakPolarHBondContact O-CD 3.36Å
920N55.3Low59Low103 Ų10396.7 Ų96.755%0.55151%0.512SS*.  trans-102.282.8-176.7-125.3-27.1000111.3N915 L918 R922N915-N920 PolarHBondContact O-N 2.79Å; L918-N920 PolarHBondContact O-N 2.93Å; N920-R922 PolarHBondContact O-N 2.85Å; N920-R922 VanDerWaalsContact O-N 3.12Å
921P49.1Very low57.2Low84 Ų8495 Ų9555%0.54550%0.503SS..G310 helixtrans-69.7-13.6-167.627.9-38.1000115.1G919 G923 I924G919-P921 WeakPolarHBondContact O-CD 3.36Å; P921-G923 PolarHBondContact O-N 2.83Å; P921-I924 HydrophobicContact CB-CD1 3.84Å; P921-I924 WeakPolarHBondContact O-CB 3.34Å; P921-I924 WeakPolarHBondContact O-CG1 3.42Å; P921-I924 PolarHBondContact O-N 2.83Å
922R42Very low55.4Low243 Ų24391.1 Ų91.192%0.91749%0.491SS*.G310 helixtrans-63.7-9.6-178.3-72.7-175.1174.7134.1-1.3114.4N920N920-R922 PolarHBondContact O-N 2.85Å; N920-R922 VanDerWaalsContact O-N 3.12Å
923G46.5Very low53.9Low35 Ų3591.4 Ų91.436%0.36150%0.498SS..G310 helixtrans-95.6-1173.300000116R912 P921R912-G923 PolarHBondContact NH2-O 2.9Å; P921-G923 PolarHBondContact O-N 2.83Å
924I46.4Very low52.2Low113 Ų11395.5 Ų95.558%0.57952%0.517SS*.SBendtrans-76.1-36.1-172.1-65.2174.2000112.3P921P921-I924 HydrophobicContact CB-CD1 3.84Å; P921-I924 WeakPolarHBondContact O-CB 3.34Å; P921-I924 WeakPolarHBondContact O-CG1 3.42Å; P921-I924 PolarHBondContact O-N 2.83Å
925L40.5Very low50.6Low167 Ų16792.9 Ų92.987%0.87450%0.504SS*.SBendtrans-91-1.7-169.9-76.3160.2000115.8S927L925-S927 PolarHBondContact O-N 2.99Å
926S42.6Very low48.5Very low63 Ų6395.4 Ų95.444%0.44151%0.513SS..  trans-88.494.3178.4-167.20000111.5K928S926-K928 PolarHBondContact O-N 2.95Å
927S43.4Very low46.6Very low91 Ų9197.5 Ų97.564%0.63652%0.522SS*.G310 helixtrans-57.6-13.7171.453.80000114.1L925 S929L925-S927 PolarHBondContact O-N 2.99Å; S927-S929 VanDerWaalsContact C-N 3.3Å; S927-S929 PolarHBondContact O-N 2.84Å
928K39.3Very low44.6Very low150 Ų15097.7 Ų97.765%0.65252%0.523SS*.G310 helixtrans-72.2-11.9-176.3-62.8-177.2178.7177.30114.9S926 N933S926-K928 PolarHBondContact O-N 2.95Å; K928-N933 PolarHBondContact O-ND2 2.84Å
929S41.1Very low42.3Very low76 Ų7699.1 Ų99.153%0.53153%0.531SS..G310 helixtrans-130.639.6-176.5-55.60000114.3F64 S927F64-S929 WeakPolarHBondContact CZ-O 3.45Å; S927-S929 VanDerWaalsContact C-N 3.3Å; S927-S929 PolarHBondContact O-N 2.84Å
930L44.8Very low40.5Very low62 Ų62104.8 Ų104.833%0.32554%0.542SS..  trans-65142166.4-66.5172.8000110.6F65 T932 N933F65-L930 HydrophobicContact CZ-CD2 4.48Å; L930-T932 WeakPolarHBondContact CB-OG1 3.24Å; L930-T932 PolarHBondContact O-N 3.39Å; L930-T932 VanDerWaalsContact O-N 3.12Å; L930-N933 WeakPolarHBondContact O-CB 3.45Å; L930-N933 PolarHBondContact O-N 2.93Å
931I46.8Very low39.1Very low12 Ų12109.5 Ų109.56%0.06256%0.558CS.*Hα-helixtrans-61.3-19.3173.2-160.2175.7000112.6C60 K61 F64 V909 N933 F934 F935C60-I931 HydrophobicContact CB-CD1 3.87Å; K61-I931 HydrophobicContact CB-CG2 4.32Å; K61-I931 HydrophobicContact CG-CG2 4.02Å; F64-I931 HydrophobicContact CB-CD1 4.48Å; F64-I931 HydrophobicContact CD1-CG2 4.44Å; F64-I931 HydrophobicContact CD2-CB 3.94Å; F64-I931 HydrophobicContact CD2-CD1 4.4Å; F64-I931 HydrophobicContact CE2-CB 4.01Å; F64-I931 HydrophobicContact CG-CB 4.25Å; F64-I931 HydrophobicContact CG-CG2 4.35Å; F64-I931 HydrophobicContact CZ-CB 4.41Å; V909-I931 HydrophobicContact CG2-CD1 3.71Å; I931-N933 PolarHBondContact O-N 3.24Å; I931-F934 HydrophobicContact CG1-CB 4.42Å; I931-F934 WeakPolarHBondContact O-CB 3.32Å; I931-F934 PolarHBondContact O-N 3.5Å; I931-F934 VanDerWaalsContact O-N 3.14Å; I931-F935 HydrophobicContact CD1-CE2 3.83Å; I931-F935 HydrophobicContact CG1-CD2 4.02Å; I931-F935 HydrophobicContact CG1-CE2 3.74Å; I931-F935 WeakPolarHBondContact O-CD2 3.36Å; I931-F935 PolarHBondContact O-N 3.2Å
932T45.4Very low37.9Very low60 Ų60112.9 Ų112.937%0.36857%0.571SS.*Hα-helixtrans-57.3-40169.8500000111.5L930 F934 F935 Q936L930-T932 WeakPolarHBondContact CB-OG1 3.24Å; L930-T932 PolarHBondContact O-N 3.39Å; L930-T932 VanDerWaalsContact O-N 3.12Å; T932-F934 VanDerWaalsContact C-N 3.26Å; T932-F934 PolarHBondContact O-N 3.21Å; T932-F935 CarbonylContact O-C 3.55Å; T932-F935 PolarHBondContact O-N 3.37Å; T932-F935 VanDerWaalsContact O-N 3.13Å; T932-Q936 WeakPolarHBondContact O-CB 3.42Å; T932-Q936 PolarHBondContact O-N 3.37Å
933N43.4Very low37Very low73 Ų73108 Ų10839%0.3957%0.572SS.*Hα-helixtrans-68.5-28.7179.4-53.35.5000111K928 L930 I931 F935K928-N933 PolarHBondContact O-ND2 2.84Å; L930-N933 WeakPolarHBondContact O-CB 3.45Å; L930-N933 PolarHBondContact O-N 2.93Å; I931-N933 PolarHBondContact O-N 3.24Å; N933-F935 VanDerWaalsContact C-N 3.28Å; N933-F935 PolarHBondContact O-N 2.92Å
934F41.9Very low35.8Very low130 Ų130115 Ų11557%0.5760%0.595SS**Hα-helixtrans-76.2-15176.2-138.5-83.4000113.2L905 I931 T932L905-F934 HydrophobicContact CB-CE1 4.48Å; L905-F934 HydrophobicContact CD1-CD1 3.99Å; L905-F934 HydrophobicContact CD1-CE1 4.11Å; L905-F934 HydrophobicContact CG-CD1 4.32Å; L905-F934 HydrophobicContact CG-CE1 4.23Å; I931-F934 HydrophobicContact CG1-CB 4.42Å; I931-F934 WeakPolarHBondContact O-CB 3.32Å; I931-F934 PolarHBondContact O-N 3.5Å; I931-F934 VanDerWaalsContact O-N 3.14Å; T932-F934 VanDerWaalsContact C-N 3.26Å; T932-F934 PolarHBondContact O-N 3.21Å
935F42.7Very low35Very low57 Ų57119.2 Ų119.225%0.2561%0.609CS.*THydrogen-bonded Turntrans-120.914.8175.8-65.6-60000112.4R57 L905 I931 T932 N933R57-F935 HydrophobicContact CB-CE2 4.29Å; R57-F935 HydrophobicContact CB-CZ 4.47Å; R57-F935 HydrophobicContact CG-CD1 4.16Å; R57-F935 HydrophobicContact CG-CD2 4.24Å; R57-F935 HydrophobicContact CG-CE1 3.82Å; R57-F935 HydrophobicContact CG-CE2 3.9Å; R57-F935 HydrophobicContact CG-CG 4.36Å; R57-F935 HydrophobicContact CG-CZ 3.68Å; L905-F935 HydrophobicContact CD1-CE1 3.65Å; L905-F935 HydrophobicContact CD1-CZ 3.58Å; L905-F935 HydrophobicContact CD2-CZ 4.2Å; L905-F935 HydrophobicContact CG-CZ 4.44Å; I931-F935 HydrophobicContact CD1-CE2 3.83Å; I931-F935 HydrophobicContact CG1-CD2 4.02Å; I931-F935 HydrophobicContact CG1-CE2 3.74Å; I931-F935 WeakPolarHBondContact O-CD2 3.36Å; I931-F935 PolarHBondContact O-N 3.2Å; T932-F935 CarbonylContact O-C 3.55Å; T932-F935 PolarHBondContact O-N 3.37Å; T932-F935 VanDerWaalsContact O-N 3.13Å; N933-F935 VanDerWaalsContact C-N 3.28Å; N933-F935 PolarHBondContact O-N 2.92Å
936Q33.7Very low34.2Very low126 Ų126116.3 Ų116.359%0.58960%0.603SS**  trans-83.3129.3-178.4-151.6157.7-0.100108.9T932 E938T932-Q936 WeakPolarHBondContact O-CB 3.42Å; T932-Q936 PolarHBondContact O-N 3.37Å; Q936-E938 PolarHBondContact O-N 3.45Å
937I30.8Very low33.4Very low107 Ų107121.5 Ų121.555%0.54962%0.62SS.*  trans-63.6124.8168.5-60.9168.7000106.5N939I937-N939 PolarHBondContact O-N 2.95Å
938E26.2Very low32.6Very low126 Ų126125.2 Ų125.259%0.58963%0.631SS**  trans-69.2100.3-170.7-74.4-171149.400111.8M159 Q936M159-E938 HydrophobicContact CE-CG 3.86Å; Q936-E938 PolarHBondContact O-N 3.45Å
939N24.5Very low32Very low148 Ų148122.1 Ų122.179%0.79163%0.633SS**  trans-113.167.6155.8-90.1-60.2000109.4I937I937-N939 PolarHBondContact O-N 2.95Å
940Q24.6Very low31.1Very low175 Ų175123.9 Ų123.982%0.81865%0.646SS**  trans-101.5102.3169.4-70.4-166.817.500110.8
941K26.4Very low30.1Very low201 Ų201129.7 Ų129.787%0.87467%0.671SS**  trans-125114.7152.6-82.1-170.2176.4-179.80110.2
942L22.4Very low29.1Very low156 Ų156137.4 Ų137.482%0.81771%0.706SS**  trans34.9105.5157.2-8665.2000118.3
943C23.1Very low28.3Very low139 Ų139140.4 Ų140.494%0.93973%0.725SS**  -144.1102.2121.7-101.10000110.1
944Q23Very low27.4Very low183 Ų183143.3 Ų143.386%0.85574%0.74SS**  trans-89.8122.8165.6-68.6177.8-8.500108.6
945K28.1Very low26.8Very low201 Ų201142.7 Ų142.787%0.87475%0.752SS**  trans-164.6120.3146.4-110161.3-172.8-178.60112.4
946S25.1Very low26.3Very low106 Ų106144.6 Ų144.674%0.74177%0.772SS**  trans30.4126.3148.451.60000121.6
947E23.9Very low26.2Very low173 Ų173147.5 Ų147.581%0.80879%0.786SS**  trans-57.5130.4164.5-60.5155.2146.900113.2
948I27.1Very low26.2Very low169 Ų169150.5 Ų150.587%0.86780%0.802SS**  trans-132155.4152.8-62.7-175000107.7
949A27.4Very low26.5Very low84 Ų84150.4 Ų150.469%0.69481%0.806SS**  trans-67.1155.8-158.400000116.3H951A949-H951 PolarHBondContact O-N 3.07Å
950S22.4Very low27.1Very low113 Ų113152 Ų15279%0.7981%0.809SS**  trans-53.7122.8169.749.70000113.7
951H24.4Very low27.9Very low184 Ų184148.9 Ų148.985%0.85280%0.801SS**  trans-124.4149.3154.6-95.7-98.4000111.2A949 V953A949-H951 PolarHBondContact O-N 3.07Å; H951-V953 PolarHBondContact O-N 3.05Å
952H24.7Very low29Very low174 Ų174143.9 Ų143.981%0.80679%0.787SS**  trans-8688.3-163.3-169.3-69.8000110.5D954H952-D954 PolarHBondContact O-N 3.36Å
953V28.3Very low30.5Very low124 Ų124140.4 Ų140.475%0.75277%0.772SS**  trans-73.5115.4176.6-179.40000109.5H951 S955H951-V953 PolarHBondContact O-N 3.05Å; V953-S955 PolarHBondContact O-N 3.2Å; V953-S955 VanDerWaalsContact O-N 3.12Å
954D24.6Very low32.3Very low133 Ų133134.9 Ų134.971%0.71174%0.735SS**  trans-63.2109.9168.5-92.6-31000109.4H952 S956H952-D954 PolarHBondContact O-N 3.36Å; D954-S956 PolarHBondContact O-N 3.15Å
955S29.6Very low34.6Very low117 Ų117129.8 Ų129.882%0.81872%0.719SS**  trans-71.573.7172.5-55.10000110.9V953V953-S955 PolarHBondContact O-N 3.2Å; V953-S955 VanDerWaalsContact O-N 3.12Å
956S31.5Very low36.9Very low98 Ų98126.8 Ų126.869%0.68571%0.706SS**  trans-108.845.5160.8-72.30000110.7D954 L958D954-S956 PolarHBondContact O-N 3.15Å; S956-L958 PolarHBondContact O-N 2.88Å; S956-L958 VanDerWaalsContact O-N 3.15Å
957E32.2Very low39.4Very low187 Ų187125.8 Ų125.887%0.87469%0.686SS**  trans-62.4112.7152.5-74.7-16913400107D959E957-D959 VanDerWaalsContact C-N 3.31Å; E957-D959 PolarHBondContact O-N 3.34Å
958L31.1Very low41.7Very low170 Ų170117.9 Ų117.989%0.8965%0.65SS**  trans-71.490.3179.1-72.9165.5000108.7S956 E960S956-L958 PolarHBondContact O-N 2.88Å; S956-L958 VanDerWaalsContact O-N 3.15Å; L958-E960 PolarHBondContact O-N 2.91Å
959D33.1Very low44.1Very low124 Ų124115.7 Ų115.766%0.66363%0.631SS**  trans-40.5133.2166.5-93.8-31.6000109.8E957 V961E957-D959 VanDerWaalsContact C-N 3.31Å; E957-D959 PolarHBondContact O-N 3.34Å; D959-V961 PolarHBondContact O-N 3.04Å
960E35.4Very low46.5Very low182 Ų182117 Ų11785%0.8562%0.622SS**  trans-65.587.9176.8-173.7175.4-176.400109L958 T962L958-E960 PolarHBondContact O-N 2.91Å; E960-T962 PolarHBondContact O-N 2.88Å; E960-T962 PolarHBondContact O-OG1 2.99Å
961V41.5Very low48.9Very low108 Ų108111.8 Ų111.866%0.65559%0.586SS**  trans-56.6106.5-177.7179.80000107.5D959 V963D959-V961 PolarHBondContact O-N 3.04Å; V961-V963 HydrophobicContact CG1-CG2 4.18Å; V961-V963 VanDerWaalsContact O-CG2 3.28Å; V961-V963 WeakPolarHBondContact O-CG2 3.22Å; V961-V963 PolarHBondContact O-N 3.31Å
962T49.6Very low51.3Low97 Ų97103.5 Ų103.560%0.59555%0.549SS*.  trans-70.682.5178.2-65.10000108.1E960E960-T962 PolarHBondContact O-N 2.88Å; E960-T962 PolarHBondContact O-OG1 2.99Å
963V53.5Low53.8Low82 Ų8297.5 Ų97.550%0.49753%0.527SS..  trans-66.5130.4-177.1-173.70000108V961 R969V961-V963 HydrophobicContact CG1-CG2 4.18Å; V961-V963 VanDerWaalsContact O-CG2 3.28Å; V961-V963 WeakPolarHBondContact O-CG2 3.22Å; V961-V963 PolarHBondContact O-N 3.31Å; V963-R969 VanDerWaalsContact CG1-NE 3.29Å
964P62.6Low56.1Low23 Ų2397 Ų9715%0.14951%0.512CS..  trans-57.1151.8179-24.733.8000111.7P12 K966 V968 R969P12-P964 HydrophobicContact CB-CG 4.34Å; P12-P964 HydrophobicContact CG-CG 3.27Å; P964-K966 PolarHBondContact O-N 3.44Å; P964-V968 HydrophobicContact CB-CB 3.86Å; P964-V968 HydrophobicContact CB-CG1 3.73Å; P964-R969 HydrophobicContact CB-CG 4.17Å; P964-R969 HydrophobicContact CG-CG 4.45Å; P964-R969 PolarHBondContact O-NE 2.94Å; P964-R969 PolarHBondContact O-NH2 3.33Å
965S71.3Confident58.3Low76 Ų7690.9 Ų90.953%0.53148%0.479SS..  trans-42.3139.1171.7174.60000110.6R967 V968 R969S965-R967 PolarHBondContact O-N 3.33Å; S965-V968 WeakPolarHBondContact O-CA 3.4Å; S965-V968 WeakPolarHBondContact O-CB 3.4Å; S965-V968 PolarHBondContact O-N 2.96Å; S965-R969 PolarHBondContact O-N 2.6Å
966K75.5Confident60.2Low138 Ų13890.8 Ų90.860%0.646%0.46SS*.Hα-helixtrans-51.8-32.7-179.1-173.7-179.3176.4-174.80111.8P964 H970P964-K966 PolarHBondContact O-N 3.44Å; K966-H970 WeakPolarHBondContact CE-NE2 3.31Å; K966-H970 PolarHBondContact O-CD2 3.36Å; K966-H970 PolarHBondContact O-N 3.28Å
967R76.7Confident61.7Low85 Ų8590.1 Ų90.132%0.32145%0.45SS..Hα-helixtrans-61.4-54173.5-169.3176.6171-148.8-11.1111.8V769 T770 E773 S965 R969 H970 A971V769-R967 HydrophobicContact CG1-CB 4.04Å; V769-R967 HydrophobicContact CG1-CG 3.62Å; T770-R967 PolarHBondContact OG1-NH2 2.87Å; E773-R967 WeakPolarHBondContact OE1-CD 3.33Å; E773-R967 WeakPolarHBondContact OE1-CG 3.47Å; E773-R967 IonicContact OE1-CZ 3.16Å; E773-R967 IonicContact OE1-NE 3.86Å; E773-R967 PolarHBondContact OE1-NE 3.13Å; E773-R967 IonicContact OE1-NH2 3.02Å; E773-R967 IonicContact OE2-CZ 2.85Å; E773-R967 IonicContact OE2-NE 3.44Å; E773-R967 PolarHBondContact OE2-NE 2.79Å; E773-R967 VanDerWaalsContact OE2-NE 3.15Å; E773-R967 IonicContact OE2-NH2 2.74Å; E773-R967 PolarHBondContact OE2-NH2 2.78Å; S965-R967 PolarHBondContact O-N 3.33Å; R967-R969 PolarHBondContact O-N 3.34Å; R967-H970 PolarHBondContact O-N 2.92Å; R967-A971 PolarHBondContact O-N 3.33Å
968V73.3Confident62.9Low8 Ų884.3 Ų84.35%0.04842%0.422CS..Hα-helixtrans-55.2-48.9175.3176.20000111.2L9 V769 I772 P964 S965 H970 A971 A972L9-V968 HydrophobicContact CD1-CG1 3.51Å; V769-V968 HydrophobicContact CB-CG2 4.07Å; V769-V968 HydrophobicContact CG1-CG2 3.64Å; V769-V968 HydrophobicContact CG2-CG2 3.51Å; I772-V968 HydrophobicContact CD1-CG1 4.43Å; P964-V968 HydrophobicContact CB-CB 3.86Å; P964-V968 HydrophobicContact CB-CG1 3.73Å; S965-V968 WeakPolarHBondContact O-CA 3.4Å; S965-V968 WeakPolarHBondContact O-CB 3.4Å; S965-V968 PolarHBondContact O-N 2.96Å; V968-H970 VanDerWaalsContact C-N 3.32Å; V968-H970 PolarHBondContact O-N 3.06Å; V968-A971 PolarHBondContact O-N 2.84Å; V968-A972 VanDerWaalsContact O-CB 3.23Å; V968-A972 WeakPolarHBondContact O-CB 3.41Å; V968-A972 PolarHBondContact O-N 2.93Å
969R77Confident63.8Low123 Ų12379.4 Ų79.446%0.46439%0.392SS..Hα-helixtrans-62.1-37.1179.3-80.1-178.5-70.5139.8-12.5113.3V963 P964 S965 R967 S973V963-R969 VanDerWaalsContact CG1-NE 3.29Å; P964-R969 HydrophobicContact CB-CG 4.17Å; P964-R969 HydrophobicContact CG-CG 4.45Å; P964-R969 PolarHBondContact O-NE 2.94Å; P964-R969 PolarHBondContact O-NH2 3.33Å; S965-R969 PolarHBondContact O-N 2.6Å; R967-R969 PolarHBondContact O-N 3.34Å; R969-S973 WeakPolarHBondContact O-CB 3.44Å; R969-S973 PolarHBondContact O-N 2.75Å
970H78.4Confident64.4Low111 Ų11177.6 Ų77.651%0.51439%0.386SS..Hα-helixtrans-69.2-39.9174.6-77.1-54.7000112.3K966 R967 V968 R974K966-H970 WeakPolarHBondContact CE-NE2 3.31Å; K966-H970 PolarHBondContact O-CD2 3.36Å; K966-H970 PolarHBondContact O-N 3.28Å; R967-H970 PolarHBondContact O-N 2.92Å; V968-H970 VanDerWaalsContact C-N 3.32Å; V968-H970 PolarHBondContact O-N 3.06Å; H970-R974 WeakPolarHBondContact O-CG 3.4Å; H970-R974 PolarHBondContact O-N 3.09Å; H970-R974 VanDerWaalsContact O-N 3.08Å
971A72.2Confident64.5Low3 Ų373 Ų733%0.02537%0.37CS..Hα-helixtrans-71.5-47.8179.300000112.1I772 E773 R967 V968 S973 R974 L975I772-A971 HydrophobicContact CB-CB 4.32Å; I772-A971 HydrophobicContact CG2-CB 3.55Å; E773-A971 HydrophobicContact CG-CB 3.71Å; R967-A971 PolarHBondContact O-N 3.33Å; V968-A971 PolarHBondContact O-N 2.84Å; A971-S973 VanDerWaalsContact C-N 3.3Å; A971-S973 PolarHBondContact O-N 2.69Å; A971-R974 WeakPolarHBondContact O-CA 3.41Å; A971-R974 WeakPolarHBondContact O-CB 3.33Å; A971-R974 PolarHBondContact O-N 3.02Å; A971-L975 PolarHBondContact O-N 3.34Å; A971-L975 VanDerWaalsContact O-N 3.12Å
972A75Confident64.1Low10 Ų1073.5 Ų73.58%0.08337%0.369CS..Hα-helixtrans-60.3-37.117200000112.2L741 V968 R974 R976L741-A972 WeakPolarHBondContact O-CB 3.48Å; V968-A972 VanDerWaalsContact O-CB 3.23Å; V968-A972 WeakPolarHBondContact O-CB 3.41Å; V968-A972 PolarHBondContact O-N 2.93Å; A972-R974 VanDerWaalsContact C-N 3.3Å; A972-R974 PolarHBondContact O-N 3.26Å; A972-R976 VanDerWaalsContact O-CB 3.22Å; A972-R976 WeakPolarHBondContact O-CB 3.19Å; A972-R976 PolarHBondContact O-N 2.95Å
973S78Confident63.2Low49 Ų4977.9 Ų77.934%0.34338%0.383SS..Hα-helixtrans-67.1-27.4172.2-1780000112.9R969 A971 N977R969-S973 WeakPolarHBondContact O-CB 3.44Å; R969-S973 PolarHBondContact O-N 2.75Å; A971-S973 VanDerWaalsContact C-N 3.3Å; A971-S973 PolarHBondContact O-N 2.69Å; S973-N977 WeakPolarHBondContact O-CB 3.3Å; S973-N977 PolarHBondContact O-N 2.92Å; S973-N977 PolarHBondContact O-ND2 3.1Å; S973-N977 VanDerWaalsContact O-ND2 3.16Å; S973-N977 PolarHBondContact O-OD1 3.31Å; S973-N977 PolarHBondContact OG-ND2 3.24Å
974R76.2Confident62.1Low113 Ų11378.6 Ų78.643%0.42639%0.391SS..Hα-helixtrans-70.1-52.3173.8-74.6167.9174.1-151.3-4.1110.6H970 A971 A972 R976 N977 Q978H970-R974 WeakPolarHBondContact O-CG 3.4Å; H970-R974 PolarHBondContact O-N 3.09Å; H970-R974 VanDerWaalsContact O-N 3.08Å; A971-R974 WeakPolarHBondContact O-CA 3.41Å; A971-R974 WeakPolarHBondContact O-CB 3.33Å; A971-R974 PolarHBondContact O-N 3.02Å; A972-R974 VanDerWaalsContact C-N 3.3Å; A972-R974 PolarHBondContact O-N 3.26Å; R974-R976 VanDerWaalsContact C-N 3.27Å; R974-R976 PolarHBondContact O-N 3.43Å; R974-N977 PolarHBondContact O-N 3.29Å; R974-N977 VanDerWaalsContact O-N 3.14Å; R974-Q978 WeakPolarHBondContact O-CG 3.36Å; R974-Q978 PolarHBondContact O-N 2.89Å
975L70.6Confident60.4Low5 Ų583.4 Ų83.43%0.02642%0.415CS..Hα-helixtrans-51.5-47.5173-70.9175.5000111.5L743 I772 L775 D779 A971L743-L975 HydrophobicContact CD2-CD1 4.38Å; I772-L975 HydrophobicContact CG2-CD1 3.71Å; L775-L975 HydrophobicContact CB-CD2 4.25Å; D779-L975 HydrophobicContact CB-CD2 4.44Å; D779-L975 WeakPolarHBondContact OD2-CD2 3.49Å; A971-L975 PolarHBondContact O-N 3.34Å; A971-L975 VanDerWaalsContact O-N 3.12Å
976R70.3Confident58.2Low114 Ų11488.7 Ų88.743%0.4343%0.428SS..Hα-helixtrans-69-35-179.2-162.2-179.2-161.3-127.67113.4R739 A972 R974R739-R976 PolarHBondContact O-NE 2.86Å; R739-R976 PolarHBondContact O-NH2 3.48Å; A972-R976 VanDerWaalsContact O-CB 3.22Å; A972-R976 WeakPolarHBondContact O-CB 3.19Å; A972-R976 PolarHBondContact O-N 2.95Å; R974-R976 VanDerWaalsContact C-N 3.27Å; R974-R976 PolarHBondContact O-N 3.43Å
977N63.2Low55.7Low85 Ų8586.6 Ų86.646%0.45544%0.437SS..Hα-helixtrans-76.9-29.3-178.6-70.8-7.6000112.4S973 R974 R979 T980S973-N977 WeakPolarHBondContact O-CB 3.3Å; S973-N977 PolarHBondContact O-N 2.92Å; S973-N977 PolarHBondContact O-ND2 3.1Å; S973-N977 VanDerWaalsContact O-ND2 3.16Å; S973-N977 PolarHBondContact O-OD1 3.31Å; S973-N977 PolarHBondContact OG-ND2 3.24Å; R974-N977 PolarHBondContact O-N 3.29Å; R974-N977 VanDerWaalsContact O-N 3.14Å; N977-R979 PolarHBondContact O-N 3.06Å; N977-T980 PolarHBondContact O-N 3.37Å; N977-T980 PolarHBondContact O-OG1 3.38Å
978Q56.4Low53.4Low65 Ų6588.1 Ų88.130%0.30446%0.458SS..Hα-helixtrans-55.7-35.4172.5-77.7160.2-19.200111.5S776 R974 T980 T981S776-Q978 PolarHBondContact O-NE2 3.45Å; R974-Q978 WeakPolarHBondContact O-CG 3.36Å; R974-Q978 PolarHBondContact O-N 2.89Å; Q978-T980 VanDerWaalsContact C-N 3.25Å; Q978-T980 PolarHBondContact O-N 2.88Å; Q978-T981 PolarHBondContact O-OG1 3.26Å; Q978-T981 VanDerWaalsContact O-OG1 3.07Å
979R50.9Low50.9Low66 Ų6696 Ų9625%0.24950%0.499CS..THydrogen-bonded Turntrans-67-15.1173.1-64.2-175.6165.1131.818.7115.9G742 T744 D782 N977G742-R979 PolarHBondContact O-NH1 2.79Å; T744-R979 VanDerWaalsContact CG2-NH2 3.25Å; T744-R979 PolarHBondContact OG1-NH2 2.9Å; T744-R979 VanDerWaalsContact OG1-NH2 3.16Å; D782-R979 IonicContact OD1-NE 2.88Å; D782-R979 IonicContact OD1-NH2 3.13Å; D782-R979 IonicContact OD2-CZ 2.91Å; D782-R979 IonicContact OD2-NE 3.86Å; D782-R979 PolarHBondContact OD2-NE 2.74Å; D782-R979 IonicContact OD2-NH2 3.55Å; D782-R979 PolarHBondContact OD2-NH2 2.71Å; N977-R979 PolarHBondContact O-N 3.06Å
980T45.6Very low48.5Very low87 Ų8795.4 Ų95.453%0.53452%0.515SS..THydrogen-bonded Turntrans-104.1-11.6-17162.70000114.2N977 Q978N977-T980 PolarHBondContact O-N 3.37Å; N977-T980 PolarHBondContact O-OG1 3.38Å; Q978-T980 VanDerWaalsContact C-N 3.25Å; Q978-T980 PolarHBondContact O-N 2.88Å
981T37.1Very low45.8Very low85 Ų8595.1 Ų95.152%0.52153%0.525SS..SBendtrans-73.3-28.8-173.630.60000113.9Q978 S984Q978-T981 PolarHBondContact O-OG1 3.26Å; Q978-T981 VanDerWaalsContact O-OG1 3.07Å; T981-S984 PolarHBondContact O-OG 3.33Å
982D32.1Very low43.6Very low119 Ų119104.1 Ų104.164%0.63657%0.567SS**G310 helixtrans-83.4-16.4-175.6-63.7-56.4000114.6S984D982-S984 PolarHBondContact O-N 3.39Å; D982-S984 VanDerWaalsContact O-N 3.16Å
983Q31.7Very low41.1Very low189 Ų189112.5 Ų112.588%0.88360%0.604SS**G310 helixtrans-76.36.6172.1-66.4-1671.900114.1
984S29.5Very low38.4Very low96 Ų96117 Ų11767%0.67163%0.629SS**G310 helixtrans-118.731.717676.70000115T981 D982T981-S984 PolarHBondContact O-OG 3.33Å; D982-S984 PolarHBondContact O-N 3.39Å; D982-S984 VanDerWaalsContact O-N 3.16Å
985L27.3Very low35.8Very low125 Ų125118 Ų11865%0.65465%0.648SS**SBendtrans-112110.3171.7-71.7176.1000113.5
986K24.4Very low33.8Very low186 Ų186123.7 Ų123.781%0.80969%0.685SS**  trans65.579.9154.6-57171.4-176.4168.40117.2
987A23.8Very low31.6Very low94 Ų94124.9 Ų124.978%0.77771%0.705SS**  trans-59.8128.8143.400000109.1N989A987-N989 PolarHBondContact O-N 2.9Å
988P28.5Very low29.7Very low117 Ų117128.8 Ų128.876%0.7672%0.718SS**  trans-76.6124.4-17528.5-33.3000111.7S990P988-S990 PolarHBondContact O-N 3.11Å
989N20.8Very low28.3Very low173 Ų173133.4 Ų133.493%0.92575%0.745SS**  trans-67.5102.4170.5-73.9-34.8000110.3A987A987-N989 PolarHBondContact O-N 2.9Å
990S25.5Very low27.2Very low112 Ų112137.7 Ų137.778%0.78377%0.767SS**  trans-141.1142154.969.50000110.6P988P988-S990 PolarHBondContact O-N 3.11Å
991S23Very low26.3Very low105 Ų105141.7 Ų141.773%0.73479%0.786SS**  trans-80.3140.4-167.552.50000113.6
992Q25.9Very low26Very low192 Ų192142.3 Ų142.390%0.89779%0.794SS**  -170.9152.1116.7-101.5166.637.500112.4
993H21.4Very low25.9Very low186 Ų186144.5 Ų144.586%0.86181%0.805SS**  trans-71.9136.3174-88.1-96.5000111.4
994T21.6Very low25.8Very low143 Ų143144.2 Ų144.288%0.87781%0.808SS**  trans-165.1153.213412.50000110.8
995T22.1Very low25.8Very low135 Ų135143.8 Ų143.883%0.82881%0.805SS**PPolyproline II helixtrans-87.4163.5-171.737.90000113.4
996P29.2Very low26Very low124 Ų124146.9 Ų146.981%0.80582%0.816SS**PPolyproline II helixtrans-93.7153.9-147.935.8-36.8000115.3
997V24.2Very low26.4Very low139 Ų139145.2 Ų145.284%0.84282%0.815SS**PPolyproline II helixtrans-103.9142.1157.3177.60000108
998K22.6Very low26.8Very low167 Ų167146.5 Ų146.573%0.72682%0.816SS**PPolyproline II helixtrans-80.7131.2-179.4-61.1173.3171.3-169.80110.3
999D26.7Very low26.9Very low161 Ų161150.1 Ų150.186%0.86182%0.819SS**  trans-117.2117.1152.7-81.9-44.9000108.6N1001D999-N1001 PolarHBondContact O-N 3.44Å
1000E27.8Very low27.3Very low156 Ų156149.7 Ų149.773%0.72982%0.816SS**  trans-89.4104.1-179.8-59.7-164.2174.700109.4
1001N27.3Very low27.3Very low171 Ų171156.3 Ų156.391%0.91482%0.824SS**  trans-160.944.6168.9-97.4-35.8000112.9D999D999-N1001 PolarHBondContact O-N 3.44Å
1002S31.5Very low27.6Very low99 Ų99159.8 Ų159.869%0.69283%0.829SS**  trans-142.771.5172.9-164.70000112.2
1003L29.4Very low27.8Very low165 Ų165156.6 Ų156.686%0.86483%0.825SS**  trans-107.76.1171.3-85.1172.4000113.6
1004L28.5Very low28.2Very low182 Ų182159.8 Ų159.895%0.95383%0.829SS**  trans-110.444.8-179.3-68.5174.5000112.8
1005S30.4Very low28.6Very low88 Ų88164.2 Ų164.262%0.61583%0.83SS**  trans-132.628.3171.465.10000114.5L1007S1005-L1007 PolarHBondContact O-N 3.31Å
1006E31.2Very low28.9Very low189 Ų189169.3 Ų169.388%0.88383%0.834SS**  trans-94.679.6168.4-67-156.8138.100112.1
1007L32.1Very low28.9Very low152 Ų152172.2 Ų172.280%0.79684%0.837SS**SBendtrans-117.5137.2154.4-85171000109.4S1005 K1009S1005-L1007 PolarHBondContact O-N 3.31Å; L1007-K1009 PolarHBondContact O-N 2.9Å; L1007-K1009 VanDerWaalsContact O-N 3.14Å
1008P32.9Very low29.2Very low121 Ų121171.2 Ų171.279%0.78684%0.836SS**  trans-70.2114-164.8-2033.5000113.2L1010P1008-L1010 PolarHBondContact O-N 3.02Å
1009K30.6Very low29.8Very low192 Ų192169.5 Ų169.584%0.83584%0.839SS**  trans-67.8120.8175.6-67.9173-177.9168.70110.4L1007 R1011L1007-K1009 PolarHBondContact O-N 2.9Å; L1007-K1009 VanDerWaalsContact O-N 3.14Å; K1009-R1011 PolarHBondContact O-N 3.11Å
1010L29.6Very low29.7Very low164 Ų164171.4 Ų171.486%0.85984%0.84SS**  trans-53.8128.3175.2-8885000111.1P1008 Q1012P1008-L1010 PolarHBondContact O-N 3.02Å; L1010-Q1012 PolarHBondContact O-N 3.38Å; L1010-Q1012 VanDerWaalsContact O-N 3.13Å
1011R25.1Very low29.7Very low251 Ų251173.4 Ų173.495%0.94785%0.846SS**  trans-62.9111.9178.3-74.1179.8170.1174.7-2110.9K1009K1009-R1011 PolarHBondContact O-N 3.11Å
1012Q28.8Very low29.7Very low179 Ų179170.8 Ų170.884%0.83684%0.838SS**  trans-71.7148.1173.8-69-169-8.300112.3L1010L1010-Q1012 PolarHBondContact O-N 3.38Å; L1010-Q1012 VanDerWaalsContact O-N 3.13Å
1013P31.5Very low29.5Very low125 Ų125172.4 Ų172.481%0.81285%0.846SS**  trans-70.5133.2-178.3-16.431000112.7R1015P1013-R1015 PolarHBondContact O-N 2.96Å
1014R28.8Very low29.4Very low252 Ų252170.2 Ų170.295%0.95185%0.845SS**  trans-63.5101.3175.9-78.5-179.6167.9175.1-4.5111.7R1016R1014-R1016 PolarHBondContact O-N 2.79Å
1015R29.4Very low29.2Very low236 Ų236170.1 Ų170.189%0.89184%0.84SS**  trans-67.3114.1170.2-174.7175.3177.9-179.8-0.8109.9P1013 Q1017P1013-R1015 PolarHBondContact O-N 2.96Å; R1015-Q1017 PolarHBondContact O-N 3.5Å
1016R29Very low29.1Very low243 Ų243171.9 Ų171.992%0.91785%0.847SS**  trans-57.7120.2174.7-81.2-179.7164.9-179.5-5.3110.1R1014R1014-R1016 PolarHBondContact O-N 2.79Å
1017Q30.5Very low28.9Very low185 Ų185171.5 Ų171.586%0.86484%0.842SS**  trans-79121.8171.5-67176.9-800109.3R1015R1015-Q1017 PolarHBondContact O-N 3.5Å
1018S29.9Very low28.6Very low117 Ų117170.5 Ų170.582%0.81884%0.843SS**  trans-86.9109.2172.539.40000110.3K1020S1018-K1020 PolarHBondContact O-N 3.18Å
1019V35Very low28.2Very low132 Ų132172.9 Ų172.980%0.885%0.848SS**  trans-71.2125.2173.6176.80000109.5
1020K25Very low28.1Very low201 Ų201168 Ų16887%0.87484%0.843SS**  trans-72.9133.9175-65.3178.5177.9179.20110.3S1018S1018-K1020 PolarHBondContact O-N 3.18Å
1021K26.9Very low28.3Very low197 Ų197168.4 Ų168.486%0.85784%0.841SS**  trans-130.4155.9164.8-94.1-169.8175.5-174.90109.9
1022P27.3Very low28.4Very low116 Ų116166.4 Ų166.475%0.75384%0.839SS**  trans-83.7167.3-152.233.5-37.3000114.8
1023P28.3Very low28.7Very low133 Ų133166.9 Ų166.986%0.86484%0.838SS**  trans-87147-170.534.8-34.8000113.4
1024S27.6Very low28.7Very low120 Ų120172 Ų17284%0.83984%0.842SS**  trans-141136.2163.758.30000109.5
1025E24.3Very low29.1Very low180 Ų180169 Ų16984%0.84184%0.835SS**  trans-77.5144.2-171.2-55.6165.114900112
1026T27.1Very low29.4Very low124 Ų124166.5 Ų166.576%0.76183%0.834SS**  163.9131.9117.8390000114.4
1027K28Very low29.7Very low181 Ų181164.1 Ų164.179%0.78783%0.83SS**  trans51.6114.9138.8-62.5-177.3178.7178.20122.3
1028T24.4Very low30.1Very low131 Ų131159.8 Ų159.880%0.80483%0.826SS**  trans68.6114.1130.457.30000122.3
1029L24.9Very low30.4Very low172 Ų172163 Ų16390%0.90183%0.828SS**  62.9108.2125.3-156.280.8000119.4
1030A29.4Very low30.6Very low89 Ų89164.3 Ų164.374%0.73683%0.829SS**  165.6154.9118.500000114.5
1031E32.6Very low31.1Very low173 Ų173163 Ų16381%0.80882%0.823SS**  trans68.4101.6155.9-71.5-174.4178.600123.4
1032K27Very low31.6Very low208 Ų208159.6 Ų159.690%0.90482%0.821SS**  trans-48127.8150.6-59.8164176.4173.30112.2
1033K36.2Very low32Very low189 Ų189163.1 Ų163.182%0.82283%0.828SS**  trans-131.4140.1148.3-80.4-170.8177.8173.40111.7
1034R30.8Very low32.4Very low234 Ų234168.3 Ų168.388%0.88383%0.83SS**  trans-54.8147.5-175.1-69.8169.2164.6165.6-8.4112.2
1035K38.5Very low32.9Very low189 Ų189174 Ų17482%0.82283%0.833SS**  trans-133.188.2161.6-77-172.6176.3177.70109.7K1037K1035-K1037 PolarHBondContact O-N 3.47Å
1036E34.9Very low33.7Very low183 Ų183172 Ų17286%0.85583%0.833SS**  trans-59.8129.5158.7-69.8165.6151.600108
1037K36.2Very low34.2Very low192 Ų192172.3 Ų172.384%0.83583%0.834SS**  trans-109.1113.5173.2-77.3-176.1176.5178.20108.1K1035 Q1039K1035-K1037 PolarHBondContact O-N 3.47Å; K1037-Q1039 PolarHBondContact O-N 3.25Å
1038A37.2Very low34.5Very low95 Ų95172 Ų17279%0.78584%0.835SS**  trans-55.8131.6178.500000111.4I1040A1038-I1040 PolarHBondContact O-N 2.87Å
1039Q37.7Very low35.1Very low184 Ų184177 Ų17786%0.8684%0.839SS**  trans-87.185.3-174.2-165.317320.100110K1037 K1041K1037-Q1039 PolarHBondContact O-N 3.25Å; Q1039-K1041 PolarHBondContact O-N 3.02Å; Q1039-K1041 VanDerWaalsContact O-N 3.07Å
1040I38.3Very low35.9Very low159 Ų159174.9 Ų174.982%0.81583%0.834SS**  trans-70.9103.3178.1-58.7175000109A1038A1038-I1040 PolarHBondContact O-N 2.87Å
1041K35.7Very low36.3Very low175 Ų175176.4 Ų176.476%0.76184%0.837SS**PPolyproline II helixtrans-67.3135169.4-72.9-178.8176.8178.20109.5Q1039 Q1043Q1039-K1041 PolarHBondContact O-N 3.02Å; Q1039-K1041 VanDerWaalsContact O-N 3.07Å; K1041-Q1043 PolarHBondContact O-N 3.34Å
1042P37.1Very low36.7Very low124 Ų124174.7 Ų174.781%0.80583%0.833SS**PPolyproline II helixtrans-74.2126.4-177.829.3-33.7000111.2
1043Q36.1Very low37.5Very low191 Ų191168.1 Ų168.189%0.89381%0.813SS**PPolyproline II helixtrans-68.4136.3170.1-75.9-177.8-40.700110.6K1041K1041-Q1043 PolarHBondContact O-N 3.34Å
1044R36.8Very low38.1Very low242 Ų242167.7 Ų167.791%0.91381%0.814SS**PPolyproline II helixtrans-65132.6171.8-72.1178.3170179.3-4.7109V1046R1044-V1046 PolarHBondContact O-N 3.05Å
1045R37.4Very low38.9Very low240 Ų240164.9 Ų164.991%0.90681%0.811SS**  trans-72.4114.5168.9-75.1-178.6173178.8-4.7108.7
1046V41.1Very low39.7Very low137 Ų137160.5 Ų160.583%0.8380%0.796SS**  trans-72.1126.5161.7179.60000106.6R1044R1044-V1046 PolarHBondContact O-N 3.05Å
1047V37.8Very low40.2Very low130 Ų130160.4 Ų160.479%0.78880%0.796SS**  trans-89.1114.9171179.10000106.6R1049V1047-R1049 PolarHBondContact O-N 3.38Å
1048E34.2Very low40.9Very low175 Ų175161.8 Ų161.882%0.81881%0.812SS**PPolyproline II helixtrans-65.5125.1174.9-168.2164.5-154.200108.7V1050E1048-V1050 PolarHBondContact O-N 3.09Å
1049R37.7Very low41.1Very low235 Ų235165.1 Ų165.189%0.88781%0.814SS**PPolyproline II helixtrans-75.2123.1174.5-75.5-177-179.3154.4-2.2107.8V1047 C1051V1047-R1049 PolarHBondContact O-N 3.38Å; R1049-C1051 PolarHBondContact O-N 3.02Å
1050V42.4Very low41.3Very low129 Ų129164.1 Ų164.178%0.78281%0.811SS**PPolyproline II helixtrans-69.2120.1170.41800000107.5E1048E1048-V1050 PolarHBondContact O-N 3.09Å
1051C36.6Very low41.4Very low120 Ų120164.4 Ų164.481%0.81181%0.811SS**PPolyproline II helixtrans-69.7126.2166.8-63.60000108.3R1049R1049-C1051 PolarHBondContact O-N 3.02Å
1052L40.7Very low41.8Very low138 Ų138163.8 Ų163.872%0.72381%0.814SS**PPolyproline II helixtrans-77.8157167.2-63172.7000109.1D1056L1052-D1056 HydrophobicContact CB-CB 4.16Å
1053S44.9Very low42.1Very low69 Ų69166.3 Ų166.348%0.48382%0.815SS.*PPolyproline II helixtrans-85.1159.3-178.59.90000110.9E1055 D1056S1053-E1055 PolarHBondContact O-N 2.85Å; S1053-E1055 VanDerWaalsContact O-N 3.12Å; S1053-D1056 PolarHBondContact N-OD2 3.42Å; S1053-D1056 VanDerWaalsContact N-OD2 3.07Å; S1053-D1056 WeakPolarHBondContact O-CB 3.12Å; S1053-D1056 PolarHBondContact O-N 3.44Å; S1053-D1056 PolarHBondContact OG-OD2 2.76Å
1054E47.5Very low42.4Very low180 Ų180164.6 Ų164.684%0.84181%0.81SS**G310 helixtrans-56.9-26.9175.6-66.7174.5145.100112.8D1056 E1057E1054-D1056 PolarHBondContact O-N 3.47Å; E1054-E1057 PolarHBondContact O-N 3.4Å
1055E49.2Very low42.9Very low176 Ų176159.1 Ų159.182%0.82280%0.802SS**G310 helixtrans-66.8-11.7173.5-61.9-175.1170.300114.1S1053S1053-E1055 PolarHBondContact O-N 2.85Å; S1053-E1055 VanDerWaalsContact O-N 3.12Å
1056D54.8Low43.3Very low96 Ų96152.8 Ų152.851%0.51379%0.794SS.*G310 helixtrans-99.1-2.4178-57.6-66.2000113.3L1052 S1053 E1054L1052-D1056 HydrophobicContact CB-CB 4.16Å; S1053-D1056 PolarHBondContact N-OD2 3.42Å; S1053-D1056 VanDerWaalsContact N-OD2 3.07Å; S1053-D1056 WeakPolarHBondContact O-CB 3.12Å; S1053-D1056 PolarHBondContact O-N 3.44Å; S1053-D1056 PolarHBondContact OG-OD2 2.76Å; E1054-D1056 PolarHBondContact O-N 3.47Å
1057E45.2Very low43.4Very low182 Ų182154.2 Ų154.285%0.8579%0.791SS**THydrogen-bonded Turntrans-104.3-12.8178.6-70.7-155.8158.700115.2E1054E1054-E1057 PolarHBondContact O-N 3.4Å
1058D50.7Low44Very low220 Ų220156.4 Ų156.4100%1.17679%0.791SS**  trans-87.60174.9-87-16.5000113.4

Retrieved 1,058 of 1,058 residues in 241.3 ms (Link to these results)

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